HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JAN-10 3LMM COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; SOURCE 3 ORGANISM_TAXID: 1717; SOURCE 4 STRAIN: NCTC13129; SOURCE 5 GENE: DIP2311; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C AUTHOR F.FOROUHAR,S.LEW,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOSANTI, AUTHOR 2 W.A.BUCHWALD,M.MAGLAQUI,J.K.EVERETT,R.NAIR,T.B.ACTON, AUTHOR 3 B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) HET MSE A 75 8 HET MSE A 177 8 HET MSE A 305 8 HET MSE A 309 8 HET MSE A 379 8 HET MSE A 383 8 HET MSE B 75 8 HET MSE B 177 8 HET MSE B 305 8 HET MSE B 309 8 HET MSE B 379 8 HET MSE B 383 8 HET MSE B 522 8 HET MSE B 537 8 HET MSE B 539 8 HET MSE C 75 8 HET MSE C 177 8 HET MSE C 305 8 HET MSE C 309 8 HET MSE C 379 8 HET MSE C 383 8 HET MSE D 75 8 HET MSE D 177 8 HET MSE D 305 8 HET MSE D 309 8 HET MSE D 379 8 HET MSE D 383 8 HET MSE D 522 8 HET MSE D 537 8 HET MSE D 539 8 HET CO A 601 1 HET CL A 584 1 HET CL A 585 1 HET CL A 586 1 HET CO B 601 1 HET CL B 584 1 HET CO C 601 1 HET CL C 584 1 HET CO D 601 1 HET CL D 584 1 SSBOND 1 CYS A 74 CYS A 156 1555 1555 2.04 SSBOND 2 CYS B 74 CYS B 156 1555 1555 2.03 SSBOND 3 CYS C 74 CYS C 156 1555 1555 2.04 SSBOND 4 CYS D 74 CYS D 156 1555 1555 2.03 SITE 1 AC1 4 ASP A 41 PHE A 42 ASP A 90 ASP A 154 SITE 1 AC2 4 MSE A 177 TYR A 356 PRO A 357 ALA A 358 SITE 1 AC3 1 ALA A 358 SITE 1 AC4 2 ASN A 279 ARG A 298 SITE 1 AC5 4 ASP B 41 PHE B 42 ASP B 90 ASP B 154 SITE 1 AC6 4 MSE B 177 TYR B 356 PRO B 357 ALA B 358 SITE 1 AC7 4 ASP C 41 PHE C 42 ASP C 90 ASP C 154 SITE 1 AC8 5 ASP C 175 PRO C 176 MSE C 177 PRO C 357 SITE 1 AC9 4 ASP D 41 PHE D 42 ASP D 90 ASP D 154 SITE 1 BC1 5 ASP D 175 MSE D 177 TYR D 356 PRO D 357 mGLU~A 9 -68.26 45.05 83.31 -68.04 44.43 84.07 -70.08 46.26 82.16 -70.87 45.57 82.80 -68.57 45.97 82.19 -68.11 45.35 80.87 2 0 19.50-999 ?-999 ?-999 ? CL CL A 584 mGLY~A 10 -70.46 47.30 81.42 -69.72 47.78 80.95 -72.67 46.67 80.51 -73.89 46.58 80.64 -71.87 47.68 81.31-999.99-999.99-999.99 1 0 22.33-999 ?-999 ?-999 ? CL CL A 584 mARG~A 11 -71.96 45.93 79.66 -70.99 46.14 79.65 -73.20 43.87 79.75 -74.35 43.49 79.57 -72.56 44.90 78.83 -71.47 44.24 77.98 2 0 20.24-999 ?-999 ?-999 ? CO CO A 601 mARG~A 12 -72.44 43.42 80.75 -71.53 43.82 80.79 -74.32 42.84 82.25 -75.28 42.08 82.13 -72.95 42.44 81.70 -71.94 42.24 82.85 2 0 19.34-999 ?-999 ?-999 ? CO CO A 601 mGLU~A 13 -74.43 44.03 82.82 -73.59 44.58 82.84 -76.83 44.30 82.31 -77.90 43.80 82.63 -75.72 44.47 83.35 -75.65 45.93 83.79 2 0 21.07-999 ?-999 ?-999 ? CO CO A 601 mGLN~A 14 -76.55 44.72 81.08 -75.64 45.12 80.98 -77.91 43.13 79.81 -79.09 42.79 79.65 -77.51 44.60 79.98 -76.90 45.15 78.68 2 0 19.20-999 ?-999 ?-999 ? CO CO A 601 mLEU~A 15 -76.91 42.25 79.85 -76.01 42.67 79.98 -77.94 40.24 80.85 -78.93 39.56 80.61 -77.11 40.81 79.70 -75.75 40.11 79.61 3 0 15.84-999 ?-999 ?-999 ? CO CO A 601 mILE~A 16 -77.54 40.52 82.09 -76.72 41.08 82.15 -79.76 40.46 83.15 -80.66 39.71 83.50 -78.30 40.02 83.24 -77.74 40.56 84.55 3 0 17.18-999 ?-999 ?-999 ? CO CO A 601 mALA~A 17 -79.96 41.69 82.69 -79.12 42.19 82.47 -82.08 41.42 81.55 -83.19 40.96 81.84 -81.29 42.26 82.53 -81.19 43.69 82.01 2 0 18.42-999 ?-999 ?-999 ? CO CO A 601 mGLN~A 18 -81.51 41.21 80.37 -80.61 41.64 80.25 -82.65 39.08 79.95 -83.81 38.69 79.79 -82.18 40.41 79.36 -81.24 40.19 78.17 2 0 15.23-999 ?-999 ?-999 ? CO CO A 601 mVAL~A 19 -81.76 38.39 80.67 -80.86 38.82 80.73 -83.25 37.28 82.27 -84.21 36.51 82.25 -82.10 37.12 81.29 -80.88 36.53 82.03 3 0 13.82-999 ?-999 ?-999 ? CO CO A 601 mGLU~A 20 -83.19 38.29 83.13 -82.37 38.86 83.06 -85.59 38.61 83.32 -86.58 38.00 83.71 -84.27 38.51 84.08 -84.02 39.78 84.88 2 0 17.20-999 ?-999 ?-999 ? CO CO A 601 mSER~A 21 -85.57 39.38 82.24 -84.69 39.81 82.06 -87.30 38.23 80.89 -88.45 37.87 81.18 -86.75 39.57 81.40 -86.39 40.46 80.21 2 0 16.97-999 ?-999 ?-999 ? CO CO A 601 mILE~A 22 -86.49 37.50 80.14 -85.59 37.91 79.97 -87.55 35.41 80.73 -88.62 34.82 80.55 -86.90 36.21 79.62 -85.70 35.38 79.10 3 0 13.73-999 ?-999 ?-999 ? CO CO A 601 mLEU~A 23 -86.91 35.38 81.90 -86.07 35.91 81.93 -88.76 35.13 83.59 -89.54 34.37 84.13 -87.45 34.61 83.01 -86.40 34.51 84.13 3 0 15.39-999 ?-999 ?-999 ? CO CO A 601 mALA~A 24 -88.99 36.43 83.46 -88.27 36.94 82.98 -91.46 36.66 83.18 -92.58 36.74 83.69 -90.21 37.03 83.99 -90.06 38.55 84.06 2 0 18.70-999 ?-999 ?-999 ? CO CO A 601 mSER~A 25 -91.26 36.24 81.93 -90.30 36.22 81.66 -92.86 34.46 81.36 -93.81 33.96 80.76 -92.37 35.87 81.05 -91.93 35.94 79.58 2 0 17.71-999 ?-999 ?-999 ? CO CO A 601 mALA.A 26 -92.17 33.82 82.31 -91.43 34.36 82.70 -93.96 32.23 82.96 -94.58 32.92 83.76 -92.47 32.46 82.73 -91.71 32.14 83.99 2 0 17.47-999 ?-999 ?-999 ? CO CO A 601 mALA.A 27 -94.52 31.25 82.25 -93.89 30.77 81.64 -96.26 29.80 81.41 -95.82 29.80 80.26 -95.93 30.93 82.36 -96.76 32.14 82.02 2 0 19.56-999 ?-999 ?-999 ? CO CO A 601 mASP.A 28 -97.03 28.83 81.89 -97.30 28.96 82.85 -96.29 26.73 80.81 -96.24 26.08 79.76 -97.44 27.69 81.08 -98.03 28.17 79.74 2 0 19.90-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 29 -95.36 26.63 81.75 -95.50 27.20 82.56 -93.14 26.20 80.63 -92.10 25.55 80.50 -94.24 25.73 81.58-999.99-999.99-999.99 1 0 17.51-999 ?-999 ?-999 ? CO CO A 601 mARG.A 30 -93.36 27.33 79.96 -94.24 27.77 80.14 -92.08 29.32 79.19 -92.80 30.01 79.90 -92.34 27.82 79.03 -92.76 27.56 77.58 2 0 14.45-999 ?-999 ?-999 ? CO CO A 601 mVAL.A 31 -91.04 29.80 78.52 -90.53 29.12 77.99 -90.64 31.70 77.14 -90.55 30.90 76.20 -90.68 31.20 78.57 -89.32 31.41 79.23 3 0 13.33-999 ?-999 ?-999 ? CO CO A 601 mGLN.A 32 -90.74 33.02 76.97 -90.82 33.54 77.82 -89.70 34.74 75.52 -89.26 35.32 76.51 -90.72 33.62 75.64 -92.10 34.16 75.29 2 0 13.04-999 ?-999 ?-999 ? CO CO A 601 mLYS.A 33 -89.32 35.04 74.29 -89.74 34.49 73.57 -89.04 37.34 73.50 -90.26 37.36 73.31 -88.35 36.09 74.04 -87.29 35.63 73.04 2 0 12.28-999 ?-999 ?-999 ? CO CO A 601 mTHR~A 34 -88.25 38.39 73.29 -87.30 38.22 73.54 -87.56 40.22 71.98 -86.41 39.86 72.25 -88.73 39.65 72.74 -89.14 40.63 73.85 2 0 15.05-999 ?-999 ?-999 ? CO CO A 601 mLYS~A 35 -87.83 41.11 71.04 -88.80 41.33 70.92 -85.53 42.01 71.13 -84.41 41.69 70.75 -86.75 41.71 70.25 -87.24 43.00 69.58 2 0 15.84-999 ?-999 ?-999 ? CO CO A 601 mGLU~A 36 -85.76 42.58 72.30 -86.72 42.75 72.50 -83.89 41.74 73.78 -82.68 41.82 73.97 -84.66 42.92 73.21 -85.18 43.75 74.39 2 0 16.22-999 ?-999 ?-999 ? CO CO A 601 mTHR~A 37 -84.57 40.65 74.06 -85.55 40.70 73.85 -83.89 38.33 73.66 -83.90 37.18 74.07 -83.92 39.50 74.63 -84.64 39.09 75.91 2 0 13.01-999 ?-999 ?-999 ? CO CO A 601 mGLN~A 38 -83.85 38.63 72.37 -83.80 39.61 72.17 -82.58 36.78 71.26 -82.62 35.60 70.91 -83.85 37.59 71.35 -84.14 38.20 69.98 2 0 10.84-999 ?-999 ?-999 ? CO CO A 601 mSER.A 39 -81.45 37.39 71.58 -81.56 38.34 71.90 -79.79 35.77 72.60 -78.81 35.04 72.49 -80.18 36.70 71.47 -79.06 37.72 71.24 2 0 9.22-999 ?-999 ?-999 ? CO CO A 601 mVAL.A 40 -80.56 35.77 73.68 -81.34 36.40 73.66 -80.25 33.45 74.25 -81.15 33.05 73.53 -80.22 34.89 74.77 -81.19 35.10 75.94 3 0 8.06-999 ?-999 ?-999 ? CO CO A 601 mASP^A 41 -79.21 32.70 74.61 -78.56 33.17 75.20 -79.75 30.31 75.07 -79.32 30.08 76.20 -79.05 31.32 74.17 -77.56 30.98 74.10 2 0 -4.69-999 ?-999 ?-999 ? CO CO A 601s mPHE^A 42 -80.83 29.71 74.57 -81.08 30.01 73.64 -80.94 27.33 75.10 -80.88 26.86 73.96 -81.57 28.69 75.33 -83.04 28.59 74.88 3 0 -4.23-999 ?-999 ?-999 ? CO CO A 601s mLYS^A 43 -80.46 26.70 76.16 -80.54 27.20 77.02 -80.41 24.43 77.06 -80.70 24.81 78.20 -79.85 25.38 76.03 -78.34 25.43 76.18 2 0 4.88-999 ?-999 ?-999 ? CO CO A 601 mGLU.A 44 -80.52 23.18 76.63 -80.21 23.06 75.69 -79.93 21.12 77.79 -79.27 20.60 76.90 -81.05 22.10 77.42 -82.09 21.40 76.59 2 0 7.99-999 ?-999 ?-999 ? CO CO A 601 mGLU.A 45 -79.73 20.88 79.08 -80.34 21.37 79.70 -78.80 18.69 78.69 -79.78 17.95 78.81 -78.68 19.96 79.51 -78.83 19.63 81.00 2 0 10.98-999 ?-999 ?-999 ? CO CO A 601 mALA.A 46 -77.80 18.45 77.85 -77.07 19.13 77.87 -77.69 15.98 77.74 -77.26 15.97 78.89 -77.82 17.28 76.98 -76.70 17.39 75.95 2 0 11.71-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 47 -78.08 14.89 77.08 -78.44 15.06 76.17 -79.07 13.22 78.64 -78.92 12.34 79.48 -77.97 13.56 77.67-999.99-999.99-999.99 1 0 15.30-999 ?-999 ?-999 ? CO CO A 601 mARG.A 48 -80.20 13.90 78.53 -80.23 14.59 77.80 -82.56 13.32 78.71 -83.53 12.83 79.28 -81.28 13.62 79.45 -81.46 14.80 80.39 2 0 15.97-999 ?-999 ?-999 ? CO CO A 601 mARG.A 49 -82.56 13.61 77.41 -81.71 14.00 77.06 -83.81 11.90 76.17 -82.85 11.33 75.62 -83.72 13.35 76.59 -83.71 14.24 75.35 2 0 15.45-999 ?-999 ?-999 ? CO CO A 601 mASN.A 50 -84.96 11.30 76.45 -85.61 11.90 76.91 -86.43 9.83 75.14 -86.82 8.74 74.70 -85.25 9.90 76.13 -85.59 9.13 77.41 2 0 18.91-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 51 -86.97 10.99 74.80 -86.55 11.79 75.23 -89.38 11.43 74.58 -89.77 12.60 74.65 -88.08 11.07 73.88-999.99-999.99-999.99 1 0 18.46-999 ?-999 ?-999 ? CO CO A 601 mPRO.A 52 -90.09 10.41 75.12 -89.67 9.51 75.00 -91.15 11.29 77.19 -91.82 12.27 77.53 -91.36 10.64 75.81 -91.95 9.24 75.91 3 0 20.77-999 ?-999 ?-999 ? CO CO A 601 mGLN.A 53 -90.21 10.75 77.95 -89.72 9.98 77.53 -88.48 11.72 79.40 -87.60 11.18 78.73 -89.92 11.25 79.28 -90.20 10.16 80.31 2 0 20.53-999 ?-999 ?-999 ? CO CO A 601 mILE.A 54 -88.24 12.72 80.25 -89.05 13.07 80.73 -86.36 12.82 81.81 -87.07 12.94 82.81 -86.89 13.26 80.44 -86.86 14.81 80.29 3 0 18.12-999 ?-999 ?-999 ? CO CO A 601 mGLU.A 55 -85.13 12.33 81.87 -84.64 12.31 81.00 -84.21 12.98 84.09 -84.02 14.13 83.67 -84.57 11.85 83.13 -83.35 10.96 82.88 2 0 19.96-999 ?-999 ?-999 ? CO CO A 601 mPRO.A 56 -84.12 12.68 85.39 -84.30 11.72 85.62 -82.34 14.11 86.25 -81.50 13.31 85.85 -83.79 13.69 86.39 -84.08 12.99 87.72 3 0 20.57-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 57 -82.05 15.37 86.54 -82.82 15.93 86.84 -79.84 15.58 87.62 -80.33 15.58 88.75 -80.69 15.87 86.41-999.99-999.99-999.99 1 0 18.82-999 ?-999 ?-999 ? CO CO A 601 mLYS.A 58 -78.55 15.32 87.38 -78.31 15.35 86.41 -76.66 16.23 88.64 -76.62 17.14 87.79 -77.59 15.02 88.44 -76.75 13.81 88.07 2 0 21.07-999 ?-999 ?-999 ? CO CO A 601 mPRO.A 59 -75.90 16.27 89.75 -76.00 15.49 90.37 -73.85 17.44 88.96 -73.37 18.51 88.60 -75.00 17.40 89.96 -74.52 17.19 91.40 3 0 21.50-999 ?-999 ?-999 ? CO CO A 601 mGLU.A 60 -73.41 16.27 88.51 -73.89 15.48 88.89 -72.74 15.44 86.25 -73.54 14.50 86.28 -72.32 16.16 87.54 -71.15 15.43 88.16 2 0 20.96-999 ?-999 ?-999 ? CO CO A 601 mASN~A 61 -72.19 15.87 85.11 -71.54 16.62 85.22 -71.56 15.64 82.71 -71.84 16.53 81.90 -72.54 15.27 83.83 -73.95 15.70 83.43 2 0 18.79-999 ?-999 ?-999 ? CO CO A 601 mPRO~A 62 -70.42 14.93 82.62 -70.32 14.21 83.31 -69.95 15.39 80.16 -69.48 16.25 79.43 -69.43 15.22 81.58 -68.45 14.05 81.71 3 0 18.98-999 ?-999 ?-999 ? CO CO A 601 mGLU~A 63 -70.91 14.57 79.75 -71.21 13.89 80.41 -72.04 16.10 78.24 -71.82 16.76 77.23 -71.44 14.71 78.40 -72.52 13.65 78.12 2 0 16.77-999 ?-999 ?-999 ? CO CO A 601 mALA~A 64 -72.81 16.54 79.22 -72.92 15.90 79.99 -72.36 18.94 79.18 -72.46 19.95 78.46 -73.43 17.86 79.15 -74.40 18.05 80.31 2 0 13.85-999 ?-999 ?-999 ? CO CO A 601 mALA~A 65 -71.33 18.75 80.01 -71.38 17.90 80.54 -69.63 19.93 78.75 -69.36 21.07 78.37 -70.25 19.71 80.11 -69.22 19.21 81.09 2 0 15.05-999 ?-999 ?-999 ? CO CO A 601 mASP~A 66 -69.40 18.85 78.00 -69.66 17.99 78.43 -69.65 19.92 75.81 -69.18 20.98 75.43 -68.82 18.97 76.67 -68.74 17.59 75.99 2 0 14.89-999 ?-999 ?-999 ? CO CO A 601 mLYS~A 67 -70.90 19.54 75.53 -71.16 18.66 75.93 -71.84 21.85 75.15 -71.76 22.77 74.33 -71.78 20.37 74.71 -73.20 19.77 74.69 2 0 11.25-999 ?-999 ?-999 ? CO CO A 601 mLEU~A 68 -71.99 22.06 76.46 -72.05 21.23 77.00 -70.76 24.18 76.81 -70.77 25.35 76.42 -72.07 23.41 77.03 -72.38 23.32 78.53 3 0 10.39-999 ?-999 ?-999 ? CO CO A 601 mALA~A 69 -69.63 23.52 77.06 -69.74 22.59 77.39 -68.29 24.58 75.39 -67.90 25.70 75.07 -68.36 24.17 76.85 -67.22 23.22 77.20 2 0 13.13-999 ?-999 ?-999 ? CO CO A 601 mASP~A 70 -68.68 23.70 74.47 -68.99 22.82 74.83 -69.50 25.26 72.77 -69.13 26.11 71.97 -68.64 24.05 73.06 -69.10 22.89 72.19 2 0 11.89-999 ?-999 ?-999 ? CO CO A 601 mGLU~A 71 -70.66 25.34 73.42 -70.86 24.59 74.05 -70.89 27.77 73.73 -70.95 28.81 73.08 -71.53 26.48 73.20 -72.89 26.25 73.86 2 0 8.61-999 ?-999 ?-999 ? CO CO A 601 mVAL~A 72 -70.25 27.69 74.90 -70.27 26.79 75.33 -68.52 29.39 74.51 -68.36 30.59 74.35 -69.59 28.87 75.46 -68.96 28.55 76.83 3 0 11.12-999 ?-999 ?-999 ? CO CO A 601 mALA~A 73 -67.79 28.49 73.87 -67.97 27.53 74.10 -67.48 29.67 71.76 -66.93 30.63 71.23 -66.79 28.93 72.92 -65.97 27.76 72.40 2 0 13.29-999 ?-999 ?-999 ? CO CO A 601 mCSS~A 74 -68.68 29.26 71.34 -69.06 28.46 71.81 -69.52 31.41 70.68 -69.16 32.35 69.97 -69.34 29.99 70.25 -70.74 29.49 69.93 2 0 10.98-999 ?-999 ?-999 ? CO CO A 601 mMETA 75 -70.11 31.55 71.86 -70.32 30.68 72.32 -69.18 33.69 72.55 -69.04 34.69 71.86 -70.42 32.83 72.41 -71.08 32.67 73.76 2 0 10.95-999 ?-999 ?-999 ? CO CO A 601 mALA~A 76 -68.29 33.27 73.44 -68.54 32.43 73.92 -66.37 34.41 72.37 -65.69 35.42 72.32 -67.06 34.01 73.68 -66.11 33.17 74.54 2 0 14.58-999 ?-999 ?-999 ? CO CO A 601 mASN~A 77 -66.57 33.62 71.32 -67.15 32.82 71.49 -66.69 34.97 69.26 -66.10 35.61 68.40 -65.95 33.92 70.04 -65.87 32.69 69.15 2 0 14.42-999 ?-999 ?-999 ? CL CL A 585 mTHR~A 78 -67.97 35.15 69.50 -68.38 34.55 70.20 -68.50 37.48 69.50 -68.56 37.51 70.73 -68.68 36.17 68.75 -70.18 35.88 68.65 2 0 14.50-999 ?-999 ?-999 ? CO CO A 601 mPRO.A 79 -68.27 38.58 68.78 -68.24 38.49 67.78 -69.30 40.20 70.39 -70.45 39.97 70.01 -68.09 39.83 69.52 -67.80 40.85 68.42 3 0 15.86-999 ?-999 ?-999 ? CL CL A 584 mGLY.A 80 -69.01 40.76 71.56 -68.04 40.88 71.75 -70.47 40.04 73.39 -71.26 40.24 74.31 -70.06 41.17 72.47-999.99-999.99-999.99 1 0 16.90-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 81 -69.92 38.86 73.15 -69.27 38.83 72.39 -71.78 37.65 74.09 -72.50 38.21 73.26 -70.27 37.73 73.98-999.99-999.99-999.99 1 0 14.29-999 ?-999 ?-999 ? CO CO A 601 mGLY^A 82 -72.25 36.96 75.12 -71.56 36.56 75.73 -74.00 36.01 76.56 -73.11 35.71 77.36 -73.68 36.82 75.32-999.99-999.99-999.99 1 0 11.83-999 ?-999 ?-999 ? CO CO A 601 mALA^A 83 -75.27 35.65 76.71 -75.88 35.96 75.98 -76.44 33.59 77.44 -77.10 33.53 76.41 -75.71 34.86 77.85 -76.60 35.70 78.75 2 0 10.54-999 ?-999 ?-999 ? CO CO A 601 mLEU^A 84 -76.30 32.57 78.28 -75.72 32.79 79.07 -77.78 30.91 79.25 -77.42 31.17 80.40 -76.91 31.28 78.08 -75.84 30.20 77.99 3 0 8.08-999 ?-999 ?-999 ? CO CO A 601 mILE^A 85 -78.93 30.30 78.97 -79.15 30.19 78.00 -79.84 28.33 79.89 -80.51 27.85 78.99 -79.75 29.84 80.06 -81.17 30.43 80.03 3 0 8.77-999 ?-999 ?-999 ? CO CO A 601 mVAL^A 86 -79.11 27.60 80.73 -78.56 28.12 81.39 -80.34 25.68 81.42 -80.57 26.09 82.55 -79.13 26.15 80.67 -77.90 25.53 81.32 3 0 9.18-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 87 -81.13 24.81 80.80 -80.83 24.54 79.88 -83.58 24.78 80.74 -84.68 24.62 81.26 -82.32 24.32 81.45-999.99-999.99-999.99 1 0 10.60-999 ?-999 ?-999 ? CO CO A 601 mILE.A 88 -83.43 25.36 79.56 -82.47 25.47 79.27 -84.47 25.20 77.38 -83.48 25.42 76.67 -84.57 25.80 78.77 -84.64 27.36 78.63 3 0 8.68-999 ?-999 ?-999 ? CO CO A 601 mGLU.A 89 -85.48 24.43 76.99 -86.21 24.34 77.67 -85.38 24.84 74.59 -86.04 25.87 74.62 -85.50 23.79 75.68 -86.80 23.00 75.49 2 0 7.81-999 ?-999 ?-999 ? CO CO A 601 mASP.A 90 -84.54 24.55 73.61 -84.08 23.67 73.71 -85.54 25.74 71.63 -86.38 24.88 71.41 -84.31 25.46 72.50 -83.21 24.91 71.61 2 0 -4.90-999 ?-999 ?-999 ? CO CO A 601s mLYS.A 91 -85.63 26.97 71.12 -84.86 27.55 71.40 -88.12 27.45 70.90 -88.86 28.44 70.75 -86.73 27.42 70.25 -86.79 26.56 68.97 2 0 6.93-999 ?-999 ?-999 ? CO CO A 601 mTHR.A 92 -88.49 26.39 71.61 -87.83 25.65 71.66 -89.77 27.26 73.48 -90.61 28.15 73.65 -89.79 26.37 72.24 -90.17 24.96 72.66 2 0 9.94-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 93 -88.78 27.03 74.33 -88.15 26.30 74.07 -89.22 27.04 76.75 -89.36 27.61 77.82 -88.68 27.81 75.55-999.99-999.99-999.99 1 0 9.59-999 ?-999 ?-999 ? CO CO A 601 mARG.A 94 -89.53 25.76 76.57 -89.36 25.41 75.65 -89.03 24.78 78.77 -87.87 24.46 78.50 -90.05 24.96 77.67 -90.48 23.60 77.15 2 0 12.05-999 ?-999 ?-999 ? CO CO A 601 mILE.A 95 -89.45 24.98 80.02 -90.41 25.24 80.10 -88.28 23.34 81.47 -89.22 22.59 81.72 -88.54 24.82 81.15 -89.09 25.51 82.44 3 0 13.11-999 ?-999 ?-999 ? CO CO A 601 mILE.A 96 -87.01 22.94 81.45 -86.36 23.67 81.22 -85.89 21.56 83.07 -86.19 20.76 83.95 -86.62 21.57 81.74 -85.66 21.01 80.67 3 0 13.49-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 97 -84.91 22.45 83.21 -84.75 23.04 82.42 -82.83 21.79 84.44 -82.52 21.05 83.50 -84.15 22.53 84.45-999.99-999.99-999.99 1 0 14.39-999 ?-999 ?-999 ? CO CO A 601 mTHR.A 98 -82.04 21.99 85.49 -82.40 22.61 86.18 -80.22 21.42 87.00 -80.39 22.43 87.67 -80.75 21.33 85.58 -79.74 21.94 84.58 2 0 15.28-999 ?-999 ?-999 ? CO CO A 601 mGLU.A 99 -79.60 20.33 87.46 -79.53 19.59 86.80 -77.57 20.28 88.83 -76.94 20.01 89.86 -79.08 20.26 88.81 -79.60 18.99 89.48 2 0 18.67-999 ?-999 ?-999 ? CO CO A 601 mLEU.A 100 -76.97 20.59 87.68 -77.61 20.79 86.93 -74.91 21.53 88.63 -75.39 22.63 88.87 -75.52 20.63 87.56 -75.13 21.11 86.16 3 0 17.91-999 ?-999 ?-999 ? CO CO A 601 mASP~A 101 -73.86 21.06 89.28 -73.57 20.14 89.02 -72.47 23.00 89.63 -71.72 22.78 88.67 -73.23 21.86 90.30 -72.27 21.01 91.13 2 0 20.63-999 ?-999 ?-999 ? CO CO A 601 mILE~A 102 -72.66 24.21 90.13 -73.28 24.24 90.91 -70.49 25.22 89.50 -69.90 25.28 88.41 -72.00 25.38 89.58 -72.29 26.64 90.41 3 0 19.74-999 ?-999 ?-999 ? CO CO A 601 mASP~A 103 -69.86 25.04 90.66 -70.45 25.02 91.46 -67.93 23.80 89.77 -66.96 23.98 89.03 -68.41 24.89 90.71 -67.95 24.59 92.14 2 0 22.45-999 ?-999 ?-999 ? CO CO A 601 mTRP~A 104 -68.63 22.66 89.79 -69.40 22.64 90.42 -68.27 22.00 87.45 -67.27 21.85 86.74 -68.25 21.56 88.92 -69.20 20.39 89.10 3 0 21.70-999 ?-999 ?-999 ? CO CO A 601 mLEU~A 105 -69.41 22.52 87.01 -70.14 22.57 87.69 -68.56 24.11 85.31 -67.92 24.08 84.26 -69.55 22.99 85.64 -70.99 23.45 85.40 3 0 18.02-999 ?-999 ?-999 ? CO CO A 601 mARG~A 106 -68.41 25.10 86.18 -68.98 25.05 87.00 -66.09 25.56 85.63 -65.50 25.75 84.56 -67.47 26.17 85.89 -67.40 27.17 87.04 2 0 18.99-999 ?-999 ?-999 ? CO CO A 601 mGLN~A 107 -65.57 24.82 86.61 -66.16 24.75 87.42 -64.18 23.21 85.31 -63.14 23.08 84.67 -64.26 24.17 86.50 -63.96 23.40 87.79 2 0 21.86-999 ?-999 ?-999 ? CO CO A 601 mGLY~A 108 -65.30 22.53 85.04 -66.07 22.73 85.65 -65.24 22.27 82.59 -64.52 21.79 81.72 -65.36 21.59 83.94-999.99-999.99-999.99 1 0 19.98-999 ?-999 ?-999 ? CO CO A 601 mILE~A 109 -65.93 23.40 82.42 -66.47 23.69 83.20 -64.47 24.71 81.01 -63.86 24.62 79.94 -65.86 24.13 81.16 -66.89 25.28 81.10 3 0 17.33-999 ?-999 ?-999 ? CO CO A 601 mPHE~A 110 -63.97 25.29 82.09 -64.58 25.29 82.89 -61.52 24.89 81.72 -60.51 25.29 81.14 -62.63 25.88 82.10 -62.31 26.46 83.47 3 0 20.29-999 ?-999 ?-999 ? CO CO A 601 mTHR~A 111 -61.71 23.62 82.05 -62.58 23.42 82.51 -60.65 22.26 80.28 -59.59 21.94 79.76 -60.70 22.63 81.74 -60.89 21.31 82.51 2 0 22.27-999 ?-999 ?-999 ? CO CO A 601 mARG~A 112 -61.79 22.30 79.60 -62.61 22.59 80.10 -61.82 23.06 77.20 -61.50 22.89 76.03 -61.76 21.92 78.20 -62.86 20.87 77.90 2 0 20.12-999 ?-999 ?-999 ? CO CO A 601 mILE~A 113 -62.19 24.25 77.65 -62.35 24.31 78.63 -61.32 26.50 77.01 -61.04 27.33 76.14 -62.31 25.35 76.71 -63.76 25.84 76.75 3 0 18.47-999 ?-999 ?-999 ? CO CO A 601 mASP~A 114 -60.79 26.50 78.23 -61.12 25.76 78.81 -60.45 28.80 79.17 -59.77 29.83 79.28 -59.82 27.50 78.68 -58.81 27.82 77.58 2 0 17.00-999 ?-999 ?-999 ? CL CL A 584 mVAL.A 115 -61.74 28.76 79.48 -62.17 27.87 79.35 -63.42 29.55 81.06 -64.07 28.51 80.98 -62.44 29.94 79.97 -63.17 30.66 78.83 3 0 17.06-999 ?-999 ?-999 ? CL CL A 584 mALA.A 116 -63.53 30.39 82.07 -62.94 31.20 82.00 -65.54 31.20 83.22 -65.42 32.21 83.92 -64.43 30.15 83.19 -63.64 30.17 84.49 2 0 19.53-999 ?-999 ?-999 ? CO CO A 601 mPRO.A 117 -66.64 30.97 82.48 -66.62 30.10 81.98 -68.52 32.03 83.75 -68.55 31.10 84.55 -67.76 31.91 82.44 -68.63 31.35 81.32 3 0 16.88-999 ?-999 ?-999 ? CO CO A 601 mASP^A 118 -69.13 33.20 83.96 -69.01 33.87 83.24 -71.25 32.75 85.04 -72.06 33.12 84.19 -69.90 33.44 85.17 -70.10 34.94 85.40 2 0 17.88-999 ?-999 ?-999 ? CO CO A 601 mVAL^A 119 -71.49 31.74 85.87 -70.74 31.54 86.50 -73.47 31.20 87.17 -72.88 31.02 88.23 -72.75 31.01 85.85 -72.52 29.49 85.60 3 0 16.33-999 ?-999 ?-999 ? CO CO A 601 mVAL^A 120 -74.75 31.58 87.10 -75.09 31.70 86.16 -76.88 31.03 88.19 -77.50 30.97 87.12 -75.57 31.80 88.29 -75.90 33.30 88.53 3 0 17.76-999 ?-999 ?-999 ? CO CO A 601 mALA^A 121 -77.30 30.45 89.31 -76.68 30.58 90.09 -79.71 30.63 89.41 -79.59 31.78 89.82 -78.53 29.68 89.38 -78.54 28.81 90.62 2 0 17.95-999 ?-999 ?-999 ? CO CO A 601 mLYS^A 122 -80.86 30.13 88.98 -80.81 29.17 88.70 -83.24 29.94 89.07 -83.07 28.74 88.82 -82.09 30.91 88.94 -82.19 31.63 87.59 2 0 17.78-999 ?-999 ?-999 ? CO CO A 601 mARG^A 123 -84.40 30.45 89.45 -84.39 31.43 89.62 -86.78 30.17 88.81 -87.26 31.25 89.11 -85.60 29.61 89.60 -86.00 29.51 91.09 2 0 18.97-999 ?-999 ?-999 ? CO CO A 601 mVAL.A 124 -87.22 29.44 87.78 -86.71 28.60 87.61 -89.64 29.35 87.61 -90.00 29.72 88.72 -88.36 29.89 86.99 -88.32 29.38 85.58 3 0 17.69-999 ?-999 ?-999 ? CO CO A 601 mLEU.A 125 -90.34 28.47 86.91 -89.97 28.20 86.02 -91.30 26.95 88.58 -91.97 25.92 88.68 -91.57 27.97 87.48 -92.46 27.37 86.40 3 0 19.67-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 126 -90.34 27.26 89.43 -89.89 28.14 89.27 -88.82 25.53 90.10 -88.09 24.98 90.93 -90.00 26.36 90.52-999.99-999.99-999.99 1 0 21.44-999 ?-999 ?-999 ? CO CO A 601 mGLN.A 127 -88.62 25.43 88.79 -89.29 25.91 88.22 -86.25 25.49 88.38 -86.30 26.72 88.46 -87.52 24.67 88.25 -87.78 24.33 86.79 2 0 18.49-999 ?-999 ?-999 ? CO CO A 601 mARG^A 128 -85.11 24.81 88.42 -85.22 23.82 88.35 -83.15 25.61 87.19 -83.28 24.72 86.35 -83.82 25.47 88.54 -82.87 24.68 89.46 2 0 17.48-999 ?-999 ?-999 ? CO CO A 601 mVAL^A 129 -82.47 26.72 86.96 -82.47 27.39 87.70 -80.47 27.66 85.89 -80.34 28.44 86.83 -81.77 26.90 85.69 -82.61 27.65 84.64 3 0 14.20-999 ?-999 ?-999 ? CO CO A 601 mLEU^A 130 -79.50 27.40 85.03 -79.71 26.72 84.33 -78.10 29.22 84.11 -78.30 29.01 82.91 -78.22 28.10 85.13 -77.05 27.13 84.96 3 0 13.63-999 ?-999 ?-999 ? CO CO A 601 mALA^A 131 -77.78 30.41 84.59 -77.68 30.45 85.59 -76.09 31.62 83.52 -75.36 31.82 84.48 -77.59 31.54 83.71 -78.10 32.80 84.36 2 0 12.97-999 ?-999 ?-999 ? CO CO A 601 mILE^A 132 -75.62 31.42 82.30 -76.30 31.21 81.59 -73.87 32.76 81.27 -74.36 32.95 80.15 -74.20 31.51 82.07 -73.66 30.31 81.30 3 0 12.58-999 ?-999 ?-999 ? CO CO A 601 mTYR^A 133 -73.03 33.61 81.85 -72.70 33.33 82.75 -71.23 34.71 80.67 -70.26 34.60 81.43 -72.64 34.85 81.20 -72.73 36.01 82.19 3 0 14.12-999 ?-999 ?-999 ? CO CO A 601 mVAL^A 134 -71.11 34.71 79.35 -71.96 34.80 78.84 -69.42 35.89 78.03 -70.19 36.44 77.25 -69.80 34.59 78.74 -69.77 33.33 77.81 3 0 14.28-999 ?-999 ?-999 ? CO CO A 601 mALA.A 135 -68.23 36.40 78.36 -67.73 35.85 79.03 -66.92 37.38 76.52 -66.43 36.26 76.31 -67.70 37.64 77.79 -66.81 38.33 78.81 2 0 16.63-999 ?-999 ?-999 ? CL CL A 584 mALA.A 136 -66.80 38.40 75.67 -67.25 39.23 75.97 -64.61 37.94 74.71 -63.97 38.59 75.54 -66.07 38.27 74.42 -66.16 39.56 73.64 2 0 14.09-999 ?-999 ?-999 ? CL CL A 584 mALA.A 137 -64.09 36.93 74.03 -64.72 36.50 73.38 -61.74 37.45 73.57 -62.04 38.04 72.54 -62.71 36.49 74.22 -62.53 35.10 73.62 2 0 11.50-999 ?-999 ?-999 ? CL CL A 584 mALA.A 138 -60.56 37.61 74.16 -60.42 37.08 74.99 -58.88 37.86 72.39 -58.13 38.50 71.65 -59.59 38.53 73.57 -58.58 38.98 74.63 2 0 7.77-999 ?-999 ?-999 ? CL CL A 584 mGLU.A 139 -59.14 36.56 72.21 -59.76 36.18 72.90 -59.47 34.58 70.86 -60.22 34.18 71.75 -58.56 35.77 71.11 -57.17 35.27 71.48 2 0 8.31-999 ?-999 ?-999 ? CL CL A 584 mPRO.A 140 -59.44 34.01 69.66 -58.79 34.42 69.00 -60.22 31.73 70.38 -59.14 31.35 70.83 -60.30 32.86 69.36 -59.87 32.44 67.96 3 0 9.68-999 ?-999 ?-999 ? CL CL A 585 mILE.A 141 -61.38 31.19 70.72 -62.17 31.61 70.27 -61.92 28.85 70.92 -63.07 28.77 70.48 -61.48 30.10 71.68 -62.54 30.41 72.78 3 0 13.05-999 ?-999 ?-999 ? CL CL A 585 mGLU.A 142 -61.01 27.90 70.75 -60.11 28.10 71.14 -62.12 25.73 70.96 -61.83 25.67 72.16 -61.34 26.66 70.05 -60.06 25.99 69.56 2 0 14.48-999 ?-999 ?-999 ? CL CL A 585 mASP.A 143 -63.10 25.01 70.42 -63.23 25.14 69.44 -63.28 22.75 71.46 -62.16 22.49 71.04 -63.90 24.13 71.26 -65.31 23.98 70.69 2 0 16.39-999 ?-999 ?-999 ? CO CO A 601 mTHR.A 144 -64.02 21.86 72.11 -64.92 22.20 72.37 -63.06 19.73 71.19 -62.26 18.81 71.32 -63.53 20.52 72.40 -64.61 19.70 73.10 2 0 17.84-999 ?-999 ?-999 ? CO CO A 601 mSER.A 145 -63.57 20.09 70.01 -64.22 20.85 70.07 -62.23 20.28 67.95 -62.07 20.07 66.74 -63.21 19.42 68.77 -64.46 19.15 67.94 2 0 18.79-999 ?-999 ?-999 ? CO CO A 601 mASP.A 146 -61.59 21.24 68.61 -61.82 21.28 69.58 -61.25 22.97 66.85 -60.62 23.18 65.81 -60.64 22.15 67.97 -59.43 21.39 67.43 2 0 17.26-999 ?-999 ?-999 ? CL CL A 585 mARG.A 147 -62.49 23.42 67.06 -62.88 23.15 67.94 -63.30 25.65 66.59 -63.29 25.89 67.80 -63.17 24.23 66.06 -64.56 23.65 65.76 2 0 16.67-999 ?-999 ?-999 ? CL CL A 585 mLEU.A 148 -63.43 26.57 65.65 -63.43 26.22 64.72 -64.79 28.53 65.26 -64.74 28.88 64.09 -63.55 27.98 65.96 -62.30 28.70 65.48 3 0 14.20-999 ?-999 ?-999 ? CL CL A 585 mARG^A 149 -65.91 28.59 65.98 -65.82 28.26 66.92 -67.79 30.11 66.36 -67.48 30.16 67.54 -67.14 29.10 65.42 -68.10 27.93 65.11 2 0 14.31-999 ?-999 ?-999 ? CO CO A 601 mTRP^A 150 -68.67 30.94 65.81 -68.82 30.81 64.83 -70.84 32.02 66.35 -71.29 31.63 65.28 -69.34 31.96 66.61 -68.71 33.32 66.33 3 0 12.55-999 ?-999 ?-999 ? CO CO A 601 mARG^A 151 -71.60 32.51 67.32 -71.08 32.79 68.13 -73.54 33.47 66.00 -73.03 34.57 65.75 -73.05 32.64 67.20 -73.61 33.29 68.47 2 0 9.68-999 ?-999 ?-999 ? CO CO A 601 mVAL.A 152 -74.50 32.94 65.25 -74.78 32.01 65.49 -76.53 33.98 64.49 -76.88 34.94 65.17 -75.05 33.74 64.17 -74.90 33.10 62.77 3 0 10.89-999 ?-999 ?-999 ? CO CO A 601 mGLY.A 153 -77.41 33.12 64.01 -77.06 32.37 63.45 -78.93 32.77 65.72 -78.36 33.30 66.68 -78.80 33.35 64.34-999.99-999.99-999.99 1 0 9.42-999 ?-999 ?-999 ? CO CO A 601 mASP.A 154 -79.68 31.69 65.82 -80.11 31.39 64.97 -78.85 29.88 67.10 -78.63 29.23 68.12 -79.86 31.00 67.09 -81.25 30.40 67.21 2 0 -5.74-999 ?-999 ?-999 ? CO CO A 601s mSER.A 155 -78.23 29.65 65.95 -78.51 30.24 65.20 -75.91 29.25 65.54 -75.86 30.43 65.18 -77.24 28.60 65.83 -77.60 27.68 64.68 2 0 6.48-999 ?-999 ?-999 ? CO CO A 601 mCSS^A 156 -74.84 28.49 65.67 -74.99 27.55 65.97 -72.68 28.30 64.39 -72.46 27.10 64.54 -73.55 29.07 65.38 -72.81 29.40 66.68 2 0 9.07-999 ?-999 ?-999 ? CO CO A 601 mARG^A 157 -72.24 29.03 63.38 -72.53 29.99 63.44 -69.95 28.84 62.50 -69.59 29.71 63.28 -71.43 28.55 62.28 -71.88 29.22 60.99 2 0 12.68-999 ?-999 ?-999 ? CO CO A 601 mPRO^A 158 -69.07 28.14 61.77 -69.50 27.49 61.15 -67.06 29.49 61.12 -67.67 29.92 60.14 -67.62 28.30 61.87 -67.11 26.99 61.30 3 0 15.73-999 ?-999 ?-999 ? CO CO A 601 mVAL.A 159 -65.92 30.01 61.58 -65.58 29.55 62.39 -63.74 31.07 60.97 -63.16 30.63 61.96 -65.25 31.15 60.94 -65.61 32.50 61.58 3 0 14.41-999 ?-999 ?-999 ? CL CL A 585 mASP~A 160 -63.09 31.52 59.90 -63.68 31.87 59.17 -61.02 32.62 60.66 -61.64 33.66 60.90 -61.64 31.49 59.85 -61.13 31.51 58.38 2 0 11.72-999 ?-999 ?-999 ? CL CL A 585 mARG~A 161 -59.79 32.41 61.12 -59.40 31.52 60.87 -59.06 34.76 61.19 -59.21 35.81 61.81 -59.09 33.41 61.91 -57.66 32.95 62.20 2 0 7.96-999 ?-999 ?-999 ? CL CL A 585 mALA~A 162 -58.86 34.69 59.87 -58.76 33.76 59.53 -59.99 36.81 59.23 -59.81 38.02 59.40 -58.80 35.88 59.01 -58.75 35.44 57.56 2 0 8.56-999 ?-999 ?-999 ? CL CL A 585 mGLU~A 163 -61.19 36.24 59.20 -61.18 35.25 59.05 -62.55 37.35 60.88 -62.78 38.50 61.24 -62.41 37.02 59.39 -63.65 36.24 58.91 2 0 11.09-999 ?-999 ?-999 ? CL CL A 585 mTRP~A 164 -62.38 36.35 61.74 -62.15 35.46 61.34 -61.78 37.85 63.66 -62.32 38.64 64.44 -62.53 36.62 63.16 -62.07 35.45 64.00 3 0 9.87-999 ?-999 ?-999 ? CL CL A 585 mTRP~A 165 -60.53 38.00 63.25 -60.18 37.31 62.61 -60.18 40.48 63.18 -60.34 41.42 63.96 -59.75 39.13 63.72 -58.27 38.90 63.48 3 0 7.26-999 ?-999 ?-999 ? CL CL A 585 mGLU~A 166 -60.38 40.60 61.87 -60.24 39.77 61.32 -62.01 42.38 62.12 -62.18 43.59 62.31 -60.79 41.90 61.35 -61.10 41.83 59.85 2 0 9.89-999 ?-999 ?-999 ? CL CL A 585 mTYR~A 167 -62.83 41.44 62.57 -62.56 40.50 62.34 -63.67 42.11 64.75 -64.26 43.01 65.34 -64.02 41.77 63.33 -65.04 40.61 63.26 3 0 12.16-999 ?-999 ?-999 ? CL CL A 585 mGLN~A 168 -62.70 41.40 65.32 -62.30 40.68 64.74 -61.68 43.10 66.73 -62.09 43.94 67.53 -62.28 41.68 66.69 -61.30 40.61 67.17 2 0 10.55-999 ?-999 ?-999 ? CL CL A 585 mARG~A 169 -60.74 43.37 65.82 -60.50 42.60 65.23 -61.19 45.76 65.65 -61.11 46.78 66.33 -60.12 44.69 65.73 -59.27 44.78 64.46 2 0 10.41-999 ?-999 ?-999 ? CL CL A 585 mALA~A 170 -62.18 45.52 64.81 -62.11 44.64 64.34 -64.19 46.67 65.79 -64.24 47.76 66.35 -63.27 46.46 64.59 -64.08 46.04 63.40 2 0 13.90-999 ?-999 ?-999 ? CL CL A 585 mGLN~A 171 -64.93 45.65 66.18 -64.81 44.79 65.69 -65.54 45.09 68.55 -66.37 44.34 69.04 -65.84 45.85 67.28 -67.25 45.54 66.80 2 0 14.86-999 ?-999 ?-999 ? CL CL A 584 mSER~A 172 -64.35 45.30 69.12 -63.77 45.94 68.62 -62.87 45.35 71.11 -62.44 46.43 70.71 -63.98 44.62 70.36 -63.53 43.18 70.08 2 0 12.04-999 ?-999 ?-999 ? CL CL A 584 mGLY.A 173 -62.42 44.75 72.21 -62.86 43.88 72.42 -60.13 45.64 72.19 -60.08 45.32 71.00 -61.37 45.34 73.01-999.99-999.99-999.99 1 0 9.74-999 ?-999 ?-999 ? CL CL A 584 mPHE.A 174 -59.13 46.26 72.80 -59.27 46.47 73.77 -56.82 45.57 72.26 -56.33 45.40 73.38 -57.94 46.57 72.04 -57.47 47.99 72.37 3 0 7.51-999 ?-999 ?-999 ? CL CL A 584 mASP~A 175 -56.44 44.87 71.19 -56.96 45.06 70.36 -54.16 44.55 70.59 -54.02 44.47 69.37 -55.34 43.91 71.27 -55.67 42.60 70.57 2 0 3.88-999 ?-999 ?-999 ? CL CL A 584 mPRO~A 176 -53.29 45.19 71.37 -53.50 45.17 72.35 -51.36 45.05 69.74 -50.96 45.59 68.71 -52.13 45.86 70.79 -51.29 46.20 72.03 3 0 4.68-999 ?-999 ?-999 ? CL CL A 584 mMETA 177 -51.18 43.76 70.00 -51.61 43.45 70.85 -51.22 42.53 67.85 -50.71 41.84 66.95 -50.43 42.91 69.10 -49.98 41.66 69.86 2 0 -3.98-999 ?-999 ?-999 ? CL CL A 584s mALA~A 178 -52.46 43.01 67.78 -52.73 43.56 68.57 -53.58 43.96 65.78 -54.17 43.87 64.71 -53.35 42.73 66.64 -54.69 42.19 67.14 2 0 5.71-999 ?-999 ?-999 ? CL CL A 584 mGLN.A 179 -53.08 45.10 66.25 -52.61 45.01 67.13 -52.58 46.36 64.17 -51.61 45.64 63.96 -53.24 46.37 65.54 -52.67 47.51 66.38 2 0 8.29-999 ?-999 ?-999 ? CL CL A 584 mVAL^A 180 -53.09 47.17 63.24 -53.88 47.72 63.55 -51.23 48.02 61.88 -51.08 49.00 62.61 -52.52 47.23 61.90 -53.48 47.90 60.88 3 0 10.45-999 ?-999 ?-999 ? CL CL A 585 mTHR^A 181 -50.28 47.57 61.06 -50.54 46.74 60.56 -48.84 48.62 59.44 -49.73 48.37 58.62 -48.99 48.24 60.92 -47.82 47.32 61.27 2 0 12.33-999 ?-999 ?-999 ? CL CL A 585 mTHR^A 182 -47.70 49.23 59.11 -47.07 49.36 59.87 -46.66 48.62 56.95 -46.32 48.84 55.78 -47.42 49.67 57.75 -46.58 50.92 57.76 2 0 15.37-999 ?-999 ?-999 ? CL CL A 585 mALA^A 183 -46.42 47.47 57.59 -46.78 47.45 58.52 -46.61 45.62 56.03 -47.78 45.37 56.34 -45.70 46.36 56.98 -45.21 45.42 58.05 2 0 14.08-999 ?-999 ?-999 ? CL CL A 585 mTHR^A 184 -46.07 45.28 54.87 -45.11 45.56 54.78 -46.17 43.21 53.51 -45.13 42.85 54.05 -46.80 44.58 53.82 -46.84 45.45 52.55 2 0 14.68-999 ?-999 ?-999 ? CL CL A 585 mLEU.A 185 -46.82 42.45 52.63 -47.66 42.86 52.26 -44.87 41.17 51.81 -44.12 40.22 52.04 -46.34 41.13 52.25 -47.19 40.56 51.11 3 0 14.85-999 ?-999 ?-999 ? CL CL A 585 mGLY~A 186 -44.48 42.27 51.19 -45.18 42.97 51.07 -42.08 42.49 51.83 -40.88 42.41 51.58 -43.11 42.41 50.72-999.99-999.99-999.99 1 0 18.05-999 ?-999 ?-999 ? CL CL A 585 mASP~A 187 -42.55 42.66 53.07 -43.54 42.71 53.13 -41.42 41.42 54.88 -40.52 41.28 55.71 -41.65 42.77 54.21 -42.23 43.76 55.24 2 0 16.51-999 ?-999 ?-999 ? CL CL A 585 mALA~A 188 -42.23 40.44 54.51 -42.92 40.70 53.84 -40.91 38.37 54.46 -40.84 38.19 53.24 -42.10 39.09 55.07 -43.37 38.31 54.81 2 0 14.76-999 ?-999 ?-999 ? CL CL A 585 mARG~A 189 -39.99 37.92 55.30 -40.18 38.10 56.27 -39.12 35.82 54.36 -39.85 35.10 55.04 -38.79 37.24 54.81 -37.73 37.19 55.91 2 0 17.38-999 ?-999 ?-999 ? CL CL A 585 mPRO~A 190 -38.59 35.41 53.21 -38.02 36.09 52.73 -38.38 32.99 53.68 -38.99 31.92 53.78 -38.86 34.06 52.70 -38.09 34.03 51.38 3 0 18.92-999 ?-999 ?-999 ? CL CL A 585 mALA~A 191 -37.31 33.28 54.39 -36.93 34.19 54.20 -37.74 32.06 56.47 -37.86 30.92 56.94 -36.74 32.35 55.35 -35.47 32.93 55.95 2 0 19.42-999 ?-999 ?-999 ? CL CL A 585 mALA~A 192 -38.43 33.10 56.91 -38.22 33.96 56.44 -40.61 32.18 57.47 -41.13 31.32 58.17 -39.42 32.99 57.97 -39.87 34.37 58.40 2 0 15.77-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 193 -41.03 32.48 56.24 -40.52 33.20 55.77 -41.79 30.33 55.46 -42.60 29.43 55.69 -42.15 31.78 55.66 -42.52 32.40 54.32 3 0 15.25-999 ?-999 ?-999 ? CL CL A 585 mALA~A 194 -40.56 30.09 55.02 -40.00 30.91 54.87 -40.20 27.92 56.09 -40.63 26.76 56.08 -40.10 28.73 54.79 -38.67 28.75 54.30 2 0 18.45-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 195 -39.82 28.57 57.19 -39.50 29.50 57.02 -41.25 27.57 58.91 -41.46 26.48 59.44 -39.85 27.97 58.51 -39.33 28.97 59.53 3 0 17.26-999 ?-999 ?-999 ? CL CL A 585 mALA~A 196 -42.20 28.46 58.67 -41.88 29.31 58.24 -44.08 27.00 58.26 -44.83 26.19 58.80 -43.58 28.20 59.02 -44.42 29.41 58.69 2 0 14.29-999 ?-999 ?-999 ? CL CL A 585 mARG~A 197 -43.64 26.88 57.01 -43.03 27.61 56.72 -43.45 24.44 56.56 -44.09 23.40 56.44 -44.04 25.77 56.14 -43.61 26.03 54.70 2 0 16.99-999 ?-999 ?-999 ? CL CL A 585 mLYS~A 198 -42.21 24.45 57.05 -41.76 25.34 57.11 -42.13 22.78 58.81 -41.96 21.63 59.20 -41.62 23.20 57.44 -40.09 23.28 57.44 2 0 17.85-999 ?-999 ?-999 ? CL CL A 586 mTRP~A 199 -42.78 23.69 59.52 -42.86 24.59 59.09 -44.80 22.94 60.80 -45.31 22.37 61.76 -43.33 23.36 60.84 -43.17 24.53 61.82 3 0 16.04-999 ?-999 ?-999 ? CL CL A 586 mASP~A 200 -45.47 23.23 59.69 -44.94 23.72 59.00 -47.14 22.51 58.06 -47.26 23.39 57.21 -46.88 22.86 59.51 -47.81 24.00 59.92 2 0 16.54-999 ?-999 ?-999 ? CL CL A 585 mPRO.A 201 -47.25 21.21 57.76 -47.15 20.61 58.55 -48.82 21.13 55.80 -49.08 20.86 54.63 -47.48 20.71 56.40 -47.39 19.20 56.58 3 0 18.19-999 ?-999 ?-999 ? CO CO B 601 mALA~A 202 -49.65 21.78 56.59 -49.30 21.94 57.52 -50.86 23.37 55.12 -51.58 23.40 54.11 -50.96 22.23 56.13 -51.81 22.66 57.30 2 0 16.17-999 ?-999 ?-999 ? CO CO B 601 mPHE~A 203 -49.97 24.31 55.40 -49.45 24.16 56.24 -49.22 25.08 53.20 -49.37 25.81 52.21 -49.78 25.46 54.55 -48.84 26.44 55.24 3 0 15.73-999 ?-999 ?-999 ? CO CO B 601 mALA~A 204 -48.58 23.92 53.16 -48.56 23.45 54.04 -48.72 23.74 50.64 -48.09 24.07 49.63 -47.97 23.41 51.94 -47.80 21.89 52.05 2 0 14.43-999 ?-999 ?-999 ? CO CO B 601 mGLU~A 205 -50.04 23.66 50.67 -50.44 23.42 51.55 -51.18 25.36 49.13 -51.82 25.62 48.11 -50.83 23.92 49.46 -52.13 23.11 49.50 2 0 10.78-999 ?-999 ?-999 ? CO CO B 601 mLEU~A 206 -50.76 26.32 49.95 -50.21 26.01 50.73 -49.93 28.68 49.56 -48.85 28.41 50.07 -51.11 27.70 49.65 -52.18 28.19 50.65 3 0 12.02-999 ?-999 ?-999 ? CO CO B 601 mTHR~A 207 -50.16 29.80 48.89 -51.09 29.88 48.53 -48.78 31.55 49.97 -49.42 31.36 51.02 -49.13 30.81 48.70 -49.56 31.87 47.66 2 0 14.33-999 ?-999 ?-999 ? CO CO B 601 mASP~A 208 -47.77 32.40 49.87 -47.35 32.43 48.96 -48.38 34.15 51.45 -48.58 34.35 52.65 -47.30 33.19 51.00 -46.08 34.00 50.61 2 0 15.62-999 ?-999 ?-999 ? CL CL A 585 mGLU~A 209 -49.07 34.74 50.48 -48.80 34.48 49.55 -51.24 35.01 51.52 -51.58 35.39 52.64 -50.12 35.69 50.77 -50.66 36.33 49.49 2 0 14.59-999 ?-999 ?-999 ? CL CL A 585 mGLU~A 210 -51.82 33.97 50.92 -51.45 33.72 50.02 -52.53 32.57 52.85 -53.38 32.14 53.62 -52.93 33.29 51.58 -53.66 32.35 50.60 2 0 14.02-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 211 -51.22 32.46 53.10 -50.63 32.85 52.40 -50.86 32.86 55.42 -51.62 32.70 56.38 -50.75 31.82 54.32 -49.29 31.40 54.18 3 0 12.19-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 212 -50.09 33.93 55.27 -49.53 33.92 54.45 -51.51 35.47 56.53 -51.83 35.79 57.67 -50.08 35.01 56.23 -49.24 36.19 55.70 3 0 9.49-999 ?-999 ?-999 ? CL CL A 585 mARG~A 213 -52.37 35.47 55.51 -51.99 35.18 54.64 -54.56 34.78 56.42 -55.46 35.08 57.20 -53.76 35.87 55.70 -54.41 36.16 54.35 2 0 9.46-999 ?-999 ?-999 ? CL CL A 585 mGLY~A 214 -54.21 33.53 56.14 -53.46 33.44 55.49 -54.75 32.40 58.26 -55.71 32.13 58.96 -54.89 32.41 56.76-999.99-999.99-999.99 1 0 9.80-999 ?-999 ?-999 ? CL CL A 585 mILE~A 215 -53.54 32.69 58.75 -52.87 32.89 58.04 -53.73 34.01 60.85 -53.56 34.20 62.06 -53.25 32.72 60.18 -51.73 32.56 60.45 3 0 6.65-999 ?-999 ?-999 ? CL CL A 585 mGLY.A 216 -54.32 34.90 60.05 -54.38 34.62 59.09 -53.76 37.25 60.70 -53.95 38.24 61.40 -54.82 36.17 60.55-999.99-999.99-999.99 1 0 5.01-999 ?-999 ?-999 ? CL CL A 585 mALA.A 217 -52.63 37.07 60.03 -52.59 36.24 59.48 -51.69 39.15 59.11 -51.38 40.32 59.38 -51.55 38.03 60.14 -50.23 37.32 59.95 2 0 5.11-999 ?-999 ?-999 ? CL CL A 585 mLEU.A 218 -52.16 38.75 57.94 -52.38 37.77 57.90 -53.75 40.19 56.73 -54.73 39.46 56.77 -52.33 39.63 56.80 -51.99 38.87 55.51 3 0 8.57-999 ?-999 ?-999 ? CL CL A 585 mASP.A 219 -53.81 41.52 56.63 -52.89 41.93 56.61 -55.83 42.01 55.30 -55.70 40.97 54.67 -55.03 42.32 56.55 -54.66 43.81 56.51 2 0 10.10-999 ?-999 ?-999 ? CL CL A 585 mALA.A 220 -56.68 42.95 54.93 -56.72 43.75 55.53 -56.94 43.85 52.80 -57.21 43.81 51.61 -57.47 42.79 53.74 -58.92 43.03 54.05 2 0 13.38-999 ?-999 ?-999 ? CL CL A 585 mGLU.A 221 -56.18 44.80 53.34 -56.06 44.72 54.33 -54.19 45.40 52.17 -53.51 46.02 51.35 -55.58 45.85 52.53 -55.49 47.17 53.29 2 0 15.40-999 ?-999 ?-999 ? CL CL A 585 mGLY.A 222 -53.75 44.32 52.81 -54.39 43.93 53.47 -51.41 44.17 53.60 -50.21 44.17 53.35 -52.43 43.78 52.55-999.99-999.99-999.99 1 0 14.07-999 ?-999 ?-999 ? CL CL A 585 mPHE^A 223 -51.90 44.52 54.79 -52.90 44.48 54.85 -50.87 43.83 56.93 -51.77 43.04 57.14 -51.03 44.93 55.88 -51.57 46.20 56.53 3 0 12.07-999 ?-999 ?-999 ? CL CL A 585 mLEU^A 224 -49.71 43.78 57.57 -49.03 44.46 57.30 -49.85 43.34 59.93 -49.71 44.54 60.16 -49.48 42.77 58.59 -48.02 42.36 58.62 3 0 9.11-999 ?-999 ?-999 ? CL CL A 585 mSER^A 225 -50.33 42.49 60.83 -50.43 41.55 60.52 -49.36 43.13 62.89 -48.29 42.83 62.36 -50.67 42.97 62.16 -51.54 41.97 62.90 2 0 6.74-999 ?-999 ?-999 ? CL CL A 585 mGLN~A 226 -49.45 43.57 64.13 -50.38 43.76 64.44 -47.62 42.40 65.26 -46.40 42.27 65.31 -48.26 43.76 64.94 -48.64 44.51 66.22 2 0 7.95-999 ?-999 ?-999 ? CL CL A 585 mALA~A 227 -48.45 41.37 65.46 -49.42 41.60 65.39 -47.38 39.41 64.47 -46.45 38.59 64.52 -47.93 40.04 65.74 -49.01 39.15 66.34 2 0 5.70-999 ?-999 ?-999 ? CL CL A 585 mGLY~A 228 -47.96 39.78 63.34 -48.70 40.44 63.43 -46.20 39.85 61.68 -45.33 39.18 61.14 -47.52 39.23 62.08-999.99-999.99-999.99 1 0 6.40-999 ?-999 ?-999 ? CL CL A 585 mLYS~A 229 -46.06 41.15 61.95 -46.86 41.57 62.38 -43.70 41.34 62.50 -42.59 41.08 62.03 -44.83 41.86 61.61 -45.02 43.37 61.84 2 0 9.85-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 230 -44.00 41.16 63.78 -44.95 41.37 64.01 -42.51 39.29 64.41 -41.35 38.97 64.65 -43.02 40.69 64.74 -43.65 40.72 66.14 3 0 10.42-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 231 -43.38 38.47 63.83 -44.28 38.87 63.65 -42.34 36.83 62.14 -41.42 36.02 62.06 -42.99 37.10 63.50 -44.20 36.17 63.67 3 0 9.98-999 ?-999 ?-999 ? CL CL A 585 mPHE~A 232 -42.79 37.50 61.08 -43.53 38.15 61.26 -41.34 38.38 59.22 -40.87 38.31 58.08 -42.22 37.26 59.77 -43.32 36.96 58.77 3 0 11.86-999 ?-999 ?-999 ? CL CL A 585 mTHR~A 233 -41.09 39.39 60.04 -41.52 39.28 60.94 -39.14 40.75 60.64 -39.31 40.59 61.85 -40.29 40.55 59.66 -41.15 41.82 59.67 2 0 14.05-999 ?-999 ?-999 ? CL CL A 585 mSER.A 234 -37.97 41.12 60.12 -37.96 41.22 59.13 -37.12 42.47 61.97 -37.57 43.54 61.57 -36.83 41.34 61.00 -35.56 41.65 60.18 2 0 17.02-999 ?-999 ?-999 ? CL CL A 585 mLEU.A 235 -36.87 42.23 63.26 -36.50 41.32 63.47 -35.84 44.02 64.58 -35.68 44.55 65.68 -37.12 43.28 64.24 -37.76 42.70 65.52 3 0 16.86-999 ?-999 ?-999 ? CL CL A 585 mASP.A 236 -34.93 44.06 63.62 -35.20 43.57 62.79 -33.14 44.80 65.20 -32.77 45.87 65.69 -33.66 44.75 63.76 -33.78 46.17 63.20 2 0 20.64-999 ?-999 ?-999 ? CL CL A 585 mARG.A 237 -33.13 43.65 65.86 -33.49 42.88 65.35 -32.72 42.13 67.74 -33.50 41.33 67.23 -32.63 43.56 67.23 -33.37 44.51 68.17 2 0 20.60-999 ?-999 ?-999 ? CL CL A 584 mTHR.A 238 -31.92 41.82 68.73 -31.33 42.55 69.06 -33.13 40.28 70.16 -33.40 41.08 71.06 -31.92 40.49 69.28 -30.65 40.24 70.06 2 0 20.00-999 ?-999 ?-999 ? CL CL A 586 mALA.A 239 -33.87 39.21 69.88 -33.54 38.65 69.12 -34.73 37.99 71.80 -35.24 38.12 72.91 -35.06 38.92 70.67 -36.13 38.31 69.77 2 0 17.69-999 ?-999 ?-999 ? CL CL A 584 mILE^A 240 -33.83 37.04 71.52 -33.47 37.08 70.59 -32.02 35.59 72.19 -31.63 35.54 71.03 -33.44 36.05 72.50 -34.41 34.85 72.44 3 0 15.19-999 ?-999 ?-999 ? CL CL A 586 mGLU^A 241 -31.24 35.28 73.22 -31.66 35.39 74.12 -29.43 33.84 74.05 -29.98 33.82 75.15 -29.88 34.83 72.98 -28.93 36.02 72.93 2 0 14.34-999 ?-999 ?-999 ? CL CL A 586 mLEU^A 242 -28.43 33.03 73.73 -28.06 33.17 72.81 -26.51 32.25 75.15 -25.65 32.70 74.39 -27.94 32.02 74.66 -28.04 30.64 74.01 3 0 12.43-999 ?-999 ?-999 ? CL CL A 586 mSER^A 243 -26.28 31.92 76.42 -27.10 31.58 76.89 -24.68 30.78 77.85 -25.24 30.57 78.92 -24.98 32.05 77.06 -24.94 33.24 78.01 2 0 14.44-999 ?-999 ?-999 ? CL CL A 586 mILE^A 244 -23.78 29.96 77.33 -23.41 30.29 76.46 -22.36 28.89 79.05 -21.26 29.37 78.81 -23.38 28.70 77.95 -22.75 27.79 76.92 3 0 13.48-999 ?-999 ?-999 ? CL CL A 586 mPHE^A 245 -22.70 28.47 80.26 -23.62 28.07 80.32 -21.20 27.26 81.77 -21.65 26.21 81.32 -21.80 28.60 81.39 -22.53 29.16 82.58 3 0 16.11-999 ?-999 ?-999 ? CL CL A 586 mASP.A 246 -20.20 27.30 82.63 -19.93 28.21 82.94 -20.24 25.62 84.36 -20.44 24.43 84.59 -19.57 26.07 83.07 -18.07 26.31 83.25 2 0 17.71-999 ?-999 ?-999 ? CL CL A 586 mVAL.A 247 -20.60 26.59 85.19 -20.36 27.51 84.88 -21.93 27.57 87.00 -21.40 28.67 86.86 -21.27 26.30 86.45 -20.28 25.66 87.48 3 0 18.76-999 ?-999 ?-999 ? CL CL A 586 mHIS.A 248 -23.11 27.41 87.59 -23.44 26.47 87.62 -22.92 29.36 89.01 -22.71 29.04 90.18 -23.86 28.54 88.15 -25.05 28.05 88.99 3 0 19.36-999 ?-999 ?-999 ? CL CL A 586 mGLY.A 249 -22.36 30.41 88.42 -22.60 30.56 87.46 -20.52 32.09 88.33 -19.51 32.62 88.82 -21.45 31.25 89.17-999.99-999.99-999.99 1 0 22.51-999 ?-999 ?-999 ? CL CL A 586 mGLY.A 250 -20.85 32.24 87.06 -21.68 31.76 86.76 -19.03 32.25 85.39 -18.86 31.05 85.57 -20.03 33.04 86.19-999.99-999.99-999.99 1 0 22.25-999 ?-999 ?-999 ? CL CL A 586 mGLN.A 251 -18.35 32.98 84.50 -18.62 33.94 84.52 -18.04 31.88 82.36 -18.33 30.68 82.30 -17.34 32.45 83.59 -16.47 31.40 84.29 2 0 22.30-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 252 -18.33 32.77 81.42 -18.04 33.70 81.64 -18.11 31.64 79.25 -17.06 32.13 78.84 -19.01 32.43 80.17 -19.42 33.64 79.38 3 0 19.64-999 ?-999 ?-999 ? CL CL A 586 mLEU^A 253 -18.56 30.44 78.92 -19.45 30.21 79.31 -18.08 29.86 76.60 -17.20 29.75 75.75 -17.80 29.56 78.05 -18.17 28.10 78.34 3 0 18.37-999 ?-999 ?-999 ? CL CL A 586 mASN^A 254 -19.30 30.28 76.30 -19.93 30.36 77.07 -21.05 31.11 74.82 -21.89 30.82 75.67 -19.64 30.56 74.92 -19.51 29.28 74.10 2 0 16.77-999 ?-999 ?-999 ? CL CL A 586 mARG^A 255 -21.32 31.90 73.79 -20.56 32.07 73.17 -23.08 32.47 72.19 -22.25 32.63 71.29 -22.65 32.46 73.64 -22.68 33.88 74.21 2 0 15.68-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 256 -24.37 32.27 71.96 -24.92 32.13 72.78 -26.01 33.33 70.52 -27.06 33.19 71.13 -24.91 32.28 70.61 -25.47 30.88 70.22 3 0 14.29-999 ?-999 ?-999 ? CL CL A 586 mVAL.A 257 -25.72 34.40 69.78 -24.82 34.36 69.35 -27.12 35.63 68.16 -26.33 35.94 67.26 -26.64 35.53 69.61 -25.95 36.87 70.02 3 0 16.40-999 ?-999 ?-999 ? CL CL A 586 mPRO.A 258 -28.42 35.39 67.91 -28.96 35.15 68.71 -28.83 36.86 65.92 -28.88 37.87 66.63 -28.96 35.47 66.55 -30.41 35.05 66.73 3 0 16.51-999 ?-999 ?-999 ? CL CL A 586 mGLU.A 259 -28.67 36.90 64.60 -28.66 36.00 64.16 -29.82 38.98 63.94 -30.90 38.47 63.61 -28.53 38.17 63.88 -28.14 37.91 62.42 2 0 20.10-999 ?-999 ?-999 ? CL CL A 586 mPRO.A 260 -29.74 40.27 64.32 -28.81 40.56 64.54 -31.79 41.30 63.19 -32.95 41.67 63.31 -30.90 41.15 64.42 -30.28 42.48 64.83 3 0 22.14-999 ?-999 ?-999 ? CL CL A 586 mGLU.A 261 -31.26 41.02 62.00 -30.30 40.72 62.02 -33.01 39.97 60.64 -33.74 39.90 59.66 -32.06 41.15 60.79 -31.17 41.22 59.55 2 0 21.58-999 ?-999 ?-999 ? CL CL A 585 mLYS.A 262 -33.00 39.06 61.60 -32.35 39.23 62.34 -35.18 38.14 62.29 -35.21 38.86 63.29 -33.88 37.90 61.53 -33.19 36.65 62.10 2 0 19.30-999 ?-999 ?-999 ? CL CL A 585 mSER~A 263 -36.25 37.54 61.79 -36.07 37.01 60.96 -37.55 36.78 63.67 -36.61 36.01 63.88 -37.56 37.64 62.41 -38.62 37.14 61.43 2 0 15.52-999 ?-999 ?-999 ? CL CL A 585 mCYH~A 264 -38.58 36.89 64.50 -39.28 37.55 64.22 -38.63 34.62 65.43 -37.99 33.84 66.13 -38.63 36.10 65.73 -39.88 36.45 66.54 2 0 14.29-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 265 -39.35 34.22 64.39 -39.83 34.95 63.90 -38.00 32.32 63.67 -37.60 31.21 64.04 -39.41 32.81 64.01 -40.31 32.61 62.81 3 0 14.20-999 ?-999 ?-999 ? CL CL A 585 mGLU~A 266 -37.26 33.16 62.96 -37.71 34.02 62.71 -35.04 32.80 63.82 -34.26 31.87 64.04 -35.90 32.83 62.57 -35.37 33.86 61.58 2 0 16.10-999 ?-999 ?-999 ? CL CL A 586 mGLN~A 267 -35.21 33.82 64.66 -35.87 34.51 64.38 -34.81 32.71 66.79 -33.93 32.11 67.41 -34.44 33.86 65.88 -34.62 35.21 66.57 2 0 14.87-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 268 -36.09 32.38 66.87 -36.71 32.94 66.32 -35.80 29.99 67.25 -35.16 29.28 68.04 -36.49 31.27 67.73 -38.00 31.05 67.67 3 0 12.11-999 ?-999 ?-999 ? CL CL A 586 mASP~A 269 -35.93 29.72 65.96 -36.48 30.37 65.43 -33.81 28.53 65.69 -33.28 27.54 66.19 -35.31 28.55 65.39 -35.53 28.50 63.88 2 0 11.02-999 ?-999 ?-999 ? CL CL A 586 mTYR~A 270 -33.13 29.63 65.38 -33.68 30.36 64.99 -31.33 29.31 67.02 -30.33 28.63 67.22 -31.70 29.72 65.59 -31.22 31.13 65.31 3 0 11.64-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 271 -32.13 29.73 68.00 -32.91 30.28 67.70 -32.13 27.89 69.62 -31.30 27.19 70.21 -31.85 29.38 69.39 -32.72 30.23 70.32 3 0 9.34-999 ?-999 ?-999 ? CL CL A 586 mGLU~A 272 -33.28 27.42 69.16 -33.86 28.11 68.72 -32.57 25.11 68.71 -32.19 24.11 69.31 -33.65 26.01 69.30 -34.98 25.74 68.58 2 0 6.36-999 ?-999 ?-999 ? CL CL A 586 mGLN~A 273 -32.09 25.47 67.52 -32.52 26.30 67.15 -29.84 24.53 67.72 -29.45 23.41 68.03 -31.05 24.72 66.83 -30.59 25.47 65.58 2 0 7.59-999 ?-999 ?-999 ? CL CL A 586 mALA~A 274 -29.24 25.65 68.10 -29.68 26.48 67.76 -28.32 25.05 70.30 -27.43 24.47 70.92 -28.05 25.66 68.94 -27.54 27.09 69.11 2 0 8.12-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 275 -29.56 25.16 70.77 -30.20 25.64 70.17 -29.92 23.09 72.00 -29.58 22.42 72.98 -29.91 24.61 72.06 -31.27 25.15 72.48 3 0 5.06-999 ?-999 ?-999 ? CL CL A 586 mASN~A 276 -30.29 22.55 70.85 -30.52 23.22 70.15 -28.95 20.50 70.79 -28.80 19.32 71.12 -30.34 21.10 70.63 -30.88 20.81 69.22 2 0 3.72-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 277 -27.93 21.31 70.56 -28.19 22.24 70.32 -26.01 20.92 72.08 -25.25 20.07 72.52 -26.55 20.84 70.67 -25.63 21.68 69.78 3 0 7.04-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 278 -26.40 21.99 72.77 -27.01 22.60 72.28 -26.57 21.17 75.02 -25.96 20.73 75.99 -25.94 22.22 74.12 -26.36 23.61 74.57 3 0 7.45-999 ?-999 ?-999 ? CL CL A 586 mASN~A 279 -27.79 20.77 74.68 -28.17 21.23 73.87 -27.88 18.40 75.15 -28.53 17.49 74.64 -28.50 19.76 75.43 -29.97 19.74 75.04 2 0 -5.39-999 ?-999 ?-999 ? CL CL A 586s mLYS.A 280 -26.60 18.30 75.51 -26.26 19.14 75.92 -26.44 15.79 75.02 -26.13 15.18 74.00 -25.76 17.12 75.33 -24.87 16.95 76.56 2 0 8.65-999 ?-999 ?-999 ? CL CL A 586 mASN.A 281 -27.34 15.31 75.89 -27.49 15.89 76.69 -27.15 12.78 75.83 -26.40 12.39 74.93 -28.02 14.03 75.65 -28.66 14.07 74.25 2 0 8.98-999 ?-999 ?-999 ? CL CL A 586 mASN^A 282 -27.27 12.13 76.99 -27.94 12.54 77.62 -27.29 9.64 77.23 -28.51 9.63 77.20 -26.49 10.94 77.30 -25.85 11.09 78.68 2 0 12.73-999 ?-999 ?-999 ? CL CL A 586 mTHR^A 283 -26.58 8.52 77.22 -25.59 8.64 77.30 -27.49 6.50 78.43 -26.59 6.34 79.26 -27.22 7.22 77.11 -26.39 6.30 76.18 2 0 15.46-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 284 -28.73 6.06 78.61 -29.34 6.28 77.85 -29.43 3.86 79.45 -29.87 3.53 78.34 -29.17 5.33 79.81 -30.48 5.93 80.42 3 0 17.44-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 285 -29.16 2.96 80.39 -28.83 3.35 81.25 -30.39 0.91 81.09 -30.35 1.12 82.30 -29.35 1.53 80.15 -28.01 0.79 80.31 3 0 20.97-999 ?-999 ?-999 ? CL CL A 586 mGLU^A 286 -31.31 0.15 80.51 -31.22 0.08 79.52 -32.50 -1.92 80.73 -33.04 -2.11 79.64 -32.35 -0.52 81.28 -33.68 0.24 81.17 2 0 22.95-999 ?-999 ?-999 ? CL CL A 586 mGLY.A 287 -32.03 -2.92 81.49 -31.63 -2.65 82.36 -31.32 -4.40 79.73 -31.77 -4.99 78.74 -32.12 -4.29 81.01-999.99-999.99-999.99 1 0 26.43-999 ?-999 ?-999 ? CL CL A 586 mPHE.A 288 -30.13 -3.81 79.76 -29.93 -3.39 80.65 -29.73 -3.03 77.41 -29.01 -2.83 76.43 -29.20 -3.78 78.64 -28.80 -5.19 78.23 3 0 25.61-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 289 -31.01 -2.66 77.48 -31.48 -2.96 78.32 -31.20 -0.48 76.71 -31.55 0.12 77.71 -31.67 -1.89 76.43 -33.18 -1.91 76.53 3 0 23.08-999 ?-999 ?-999 ? CL CL A 586 mHIS^A 290 -30.39 0.00 75.79 -30.23 -0.64 75.04 -30.53 2.32 74.99 -30.78 2.08 73.81 -29.78 1.33 75.86 -28.46 1.35 75.09 3 0 20.05-999 ?-999 ?-999 ? CL CL A 586 mLYS^A 291 -30.83 3.49 75.55 -30.53 3.58 76.50 -30.95 5.92 75.12 -30.58 6.21 76.25 -31.55 4.54 74.83 -33.02 4.57 75.25 2 0 16.52-999 ?-999 ?-999 ? CL CL A 586 mPRO^A 292 -30.84 6.79 74.10 -31.18 6.44 73.23 -31.32 9.07 74.89 -32.41 9.25 74.33 -30.28 8.13 74.29 -29.91 8.53 72.88 3 0 13.14-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 293 -30.99 9.70 76.02 -30.07 9.47 76.34 -31.22 11.99 76.98 -30.21 12.06 77.68 -31.89 10.62 76.72 -32.28 10.04 78.09 3 0 10.98-999 ?-999 ?-999 ? CL CL A 586 mPRO.A 294 -31.80 13.09 76.44 -32.63 12.93 75.91 -31.15 14.87 78.15 -31.97 14.45 78.96 -31.18 14.40 76.68 -31.99 15.34 75.76 3 0 7.71-999 ?-999 ?-999 ? CL CL A 586 mGLU.A 295 -30.18 15.73 78.47 -29.59 15.98 77.71 -31.33 16.79 80.35 -31.57 16.78 81.55 -30.02 16.27 79.82 -29.02 17.41 79.84 2 0 8.81-999 ?-999 ?-999 ? CL CL A 586 mILE.A 296 -32.15 17.33 79.46 -31.78 17.40 78.53 -34.42 17.54 78.70 -34.10 17.84 77.55 -33.47 17.79 79.86 -33.52 19.28 80.32 3 0 7.52-999 ?-999 ?-999 ? CL CL A 586 mPRO~A 297 -35.58 16.95 78.98 -35.71 16.74 79.95 -36.81 17.77 76.93 -37.25 18.85 77.29 -36.57 16.66 77.94 -37.81 16.29 78.73 3 0 7.31-999 ?-999 ?-999 ? CL CL A 586 mARG~A 298 -36.52 17.47 75.67 -36.18 16.54 75.54 -37.97 19.28 74.74 -37.92 20.51 74.67 -36.70 18.43 74.59 -36.72 17.68 73.26 2 0 -4.56-999 ?-999 ?-999 ? CL CL A 586s mLEU~A 299 -39.10 18.62 74.95 -39.00 17.63 74.98 -40.28 20.40 76.16 -40.66 21.55 75.92 -40.38 19.30 75.12 -41.44 18.31 75.56 3 0 7.65-999 ?-999 ?-999 ? CL CL A 586 mALA~A 300 -39.80 20.02 77.34 -39.55 19.06 77.41 -38.92 22.22 77.96 -39.35 23.34 78.24 -39.66 20.97 78.43 -38.92 20.31 79.59 2 0 8.44-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 301 -37.83 22.04 77.22 -37.60 21.08 77.05 -37.83 24.05 75.75 -38.01 25.24 75.98 -37.05 23.18 76.72 -35.76 22.72 76.01 3 0 5.82-999 ?-999 ?-999 ? CL CL A 586 mARG~A 302 -38.29 23.46 74.65 -38.08 22.49 74.57 -40.28 24.86 74.33 -40.67 25.97 73.98 -39.05 24.22 73.68 -39.45 23.30 72.52 2 0 6.77-999 ?-999 ?-999 ? CL CL A 586 mGLU~A 303 -40.88 24.18 75.29 -40.47 23.29 75.52 -41.68 26.03 76.66 -42.38 27.03 76.54 -42.06 24.74 75.93 -42.67 23.74 76.91 2 0 10.10-999 ?-999 ?-999 ? CL CL A 586 mALA~A 304 -40.56 26.00 77.38 -40.11 25.10 77.37 -39.67 28.29 77.18 -39.83 29.46 77.51 -40.05 27.15 78.13 -38.83 26.74 78.95 2 0 10.61-999 ?-999 ?-999 ? CL CL A 586 mMETA 305 -39.18 27.91 76.00 -39.13 26.92 75.90 -39.94 29.59 74.38 -40.01 30.82 74.43 -38.76 28.85 74.97 -38.05 28.10 73.84 2 0 9.91-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 306 -40.86 28.85 73.78 -40.68 27.86 73.78 -42.75 30.30 74.23 -43.26 31.37 73.93 -42.03 29.47 73.19 -42.97 28.41 72.66 3 0 12.32-999 ?-999 ?-999 ? CL CL A 586 mASN~A 307 -42.78 29.82 75.46 -42.29 28.95 75.60 -42.99 31.95 76.67 -43.79 32.88 76.77 -43.47 30.54 76.49 -43.41 29.78 77.80 2 0 14.53-999 ?-999 ?-999 ? CL CL A 586 mALA~A 308 -41.67 32.13 76.70 -41.14 31.29 76.62 -41.35 34.24 75.55 -41.84 35.36 75.58 -41.10 33.46 76.84 -39.60 33.34 77.10 2 0 14.68-999 ?-999 ?-999 ? CL CL A 584 mMETA 309 -41.03 33.61 74.42 -40.67 32.69 74.57 -42.60 34.76 72.86 -42.81 35.60 71.99 -41.20 34.21 73.10 -40.89 33.15 72.04 2 0 13.44-999 ?-999 ?-999 ? CL CL A 584 mILE~A 310 -43.56 34.28 73.65 -43.22 33.62 74.33 -45.42 35.64 74.62 -46.23 36.52 74.35 -44.96 34.67 73.53 -45.87 33.42 73.57 3 0 10.21-999 ?-999 ?-999 ? CL CL A 584 mHIS~A 311 -44.93 35.46 75.84 -44.28 34.71 75.93 -44.33 37.36 77.35 -44.51 38.04 78.35 -45.35 36.32 76.94 -45.76 35.48 78.14 3 0 10.00-999 ?-999 ?-999 ? CL CL A 584 mARG~A 312 -43.26 37.47 76.57 -43.27 36.82 75.81 -42.80 39.82 76.88 -43.99 39.99 76.59 -42.17 38.44 76.77 -41.28 38.39 75.55 2 0 11.71-999 ?-999 ?-999 ? CL CL A 584 mASP.A 313 -42.03 40.82 77.27 -41.09 40.60 77.51 -42.67 42.74 75.91 -43.56 43.51 75.58 -42.63 42.15 77.33 -41.87 43.06 78.29 2 0 11.20-999 ?-999 ?-999 ? CL CL A 584 mTRP.A 314 -41.72 42.38 75.06 -41.04 41.75 75.44 -41.66 44.36 73.52 -41.41 44.88 72.43 -41.70 42.87 73.68 -42.88 42.33 72.88 3 0 11.03-999 ?-999 ?-999 ? CL CL A 584 mASN.A 315 -41.94 45.08 74.60 -42.18 44.55 75.42 -40.54 46.90 75.11 -40.10 48.04 74.95 -41.89 46.52 74.53 -43.03 47.14 75.34 2 0 12.04-999 ?-999 ?-999 ? CL CL A 584 mARG.A 316 -39.90 45.95 75.78 -40.38 45.07 75.84 -37.49 45.87 75.37 -37.69 45.09 74.44 -38.59 46.19 76.36 -38.40 45.38 77.64 2 0 15.33-999 ?-999 ?-999 ? CL CL A 584 mSER.A 317 -36.32 46.48 75.57 -36.29 47.08 76.37 -34.50 44.96 74.91 -34.47 44.07 74.05 -35.20 46.27 74.66 -34.20 47.42 74.81 2 0 18.17-999 ?-999 ?-999 ? CL CL A 584 mGLU.A 318 -33.94 44.85 76.11 -34.08 45.65 76.70 -33.83 42.34 76.05 -35.03 42.11 76.19 -33.21 43.67 76.53 -33.02 43.70 78.07 2 0 19.93-999 ?-999 ?-999 ? CL CL A 584 mPRO.A 319 -33.01 41.47 75.44 -32.06 41.78 75.38 -33.75 39.16 76.01 -33.34 39.32 77.16 -33.47 40.18 74.92 -32.30 39.72 74.05 3 0 19.29-999 ?-999 ?-999 ? CL CL A 584 mILE^A 320 -34.47 38.11 75.64 -34.79 38.13 74.69 -33.38 36.49 76.81 -32.67 36.10 75.87 -34.77 37.04 76.56 -35.63 35.94 75.90 3 0 16.62-999 ?-999 ?-999 ? CL CL A 586 mASP^A 321 -32.97 36.47 78.08 -33.64 36.84 78.73 -31.82 34.51 78.82 -32.47 34.19 79.82 -31.66 35.96 78.45 -31.13 36.75 79.67 2 0 16.11-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 322 -31.27 33.62 78.00 -30.83 34.01 77.19 -29.91 31.70 78.48 -29.07 31.88 77.60 -31.33 32.19 78.30 -32.07 31.34 77.19 3 0 12.63-999 ?-999 ?-999 ? CL CL A 586 mARG^A 323 -29.63 31.13 79.65 -30.38 31.10 80.30 -28.41 29.12 80.26 -29.42 28.67 80.80 -28.30 30.59 79.92 -27.58 31.36 81.05 2 0 12.88-999 ?-999 ?-999 ? CL CL A 586 mTRP^A 324 -27.36 28.38 79.92 -26.63 28.91 79.49 -26.08 26.62 81.01 -24.97 27.01 80.69 -27.29 26.95 80.15 -27.16 26.24 78.81 3 0 11.07-999 ?-999 ?-999 ? CL CL A 586 mILE^A 325 -26.30 25.90 82.11 -27.26 25.65 82.24 -24.76 24.09 82.74 -25.49 23.15 83.02 -25.22 25.52 83.00 -25.66 25.60 84.45 3 0 13.60-999 ?-999 ?-999 ? CL CL A 586 mGLU.A 326 -23.54 23.94 82.24 -23.05 24.81 82.12 -23.01 21.56 83.00 -23.70 20.56 82.88 -22.99 22.63 81.91 -21.54 22.79 81.43 2 0 13.66-999 ?-999 ?-999 ? CL CL A 586 mLEU.A 327 -22.22 21.79 84.05 -21.74 22.66 84.02 -23.35 20.55 85.95 -23.43 19.53 86.64 -22.09 20.83 85.14 -20.94 21.27 86.06 3 0 16.44-999 ?-999 ?-999 ? CL CL A 586 mASP.A 328 -24.33 21.43 85.88 -24.16 22.21 85.27 -26.71 20.81 85.73 -27.80 20.50 86.20 -25.57 21.24 86.63 -25.93 22.52 87.37 2 0 15.61-999 ?-999 ?-999 ? CL CL A 586 mSER.A 329 -26.43 20.79 84.43 -25.49 21.05 84.20 -28.67 21.29 83.61 -29.76 20.83 83.31 -27.43 20.43 83.44 -27.84 18.96 83.58 2 0 11.92-999 ?-999 ?-999 ? CL CL A 586 mTHR^A 330 -28.52 22.52 84.08 -27.60 22.82 84.31 -29.82 24.45 83.20 -28.81 24.96 82.74 -29.74 23.32 84.22 -29.92 23.86 85.68 2 0 11.98-999 ?-999 ?-999 ? CL CL A 586 mLEU^A 331 -31.05 24.80 82.82 -31.78 24.28 83.25 -32.14 26.94 82.46 -33.23 26.66 82.97 -31.27 25.86 81.85 -31.96 25.33 80.60 3 0 10.33-999 ?-999 ?-999 ? CL CL A 586 mILE^A 332 -31.67 28.17 82.41 -30.77 28.27 81.97 -32.92 30.16 81.84 -32.19 30.41 80.88 -32.43 29.27 82.97 -31.58 30.10 83.92 3 0 13.04-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 333 -34.15 30.62 81.96 -34.63 30.32 82.78 -35.33 32.75 81.57 -36.45 32.73 82.08 -34.74 31.49 80.94 -35.85 30.77 80.14 3 0 13.34-999 ?-999 ?-999 ? CL CL A 586 mARG^A 334 -34.56 33.84 81.52 -33.68 33.69 81.07 -35.69 35.91 80.96 -35.13 36.13 79.89 -34.98 35.13 82.05 -33.76 35.92 82.51 2 0 16.97-999 ?-999 ?-999 ? CL CL A 586 mSER^A 335 -36.92 36.34 81.23 -37.26 36.09 82.13 -38.09 38.50 80.74 -38.63 38.65 81.84 -37.68 37.11 80.25 -38.92 36.35 79.82 2 0 17.45-999 ?-999 ?-999 ? CL CL A 584 mPRO^A 336 -37.85 39.53 79.92 -37.42 39.29 79.05 -39.70 41.04 80.61 -40.56 40.61 79.83 -38.21 40.89 80.32 -37.77 41.72 79.12 3 0 16.49-999 ?-999 ?-999 ? CL CL A 584 mGLY.A 337 -40.00 41.64 81.76 -39.22 41.93 82.30 -41.72 41.06 83.40 -40.91 40.25 83.85 -41.39 41.85 82.15-999.99-999.99-999.99 1 0 14.99-999 ?-999 ?-999 ? CL CL A 584 mGLY.A 338 -42.90 41.30 83.96 -43.46 41.98 83.50 -44.76 40.18 85.14 -45.53 40.65 84.29 -43.30 40.58 85.15-999.99-999.99-999.99 1 0 15.98-999 ?-999 ?-999 ? CL CL A 584 mPHE.A 339 -45.15 39.32 86.07 -44.41 39.03 86.68 -47.51 40.00 86.26 -47.40 40.86 87.14 -46.53 38.84 86.19 -46.69 38.01 87.46 3 0 15.49-999 ?-999 ?-999 ? CL CL A 584 mPRO.A 340 -48.51 40.02 85.36 -48.52 39.26 84.70 -50.17 41.26 86.74 -50.43 40.27 87.43 -49.50 41.10 85.37 -50.48 40.69 84.27 3 0 13.59-999 ?-999 ?-999 ? CL CL A 584 mALA.A 341 -50.45 42.51 87.14 -50.18 43.21 86.48 -52.32 41.92 88.61 -53.43 42.33 88.27 -51.09 42.79 88.43 -51.47 44.27 88.51 2 0 16.43-999 ?-999 ?-999 ? CL CL A 584 mALA.A 342 -52.12 40.72 89.16 -51.16 40.55 89.38 -52.59 38.35 89.58 -52.96 37.61 90.49 -53.19 39.75 89.40 -54.18 39.73 88.23 2 0 17.37-999 ?-999 ?-999 ? CL CL A 584 mILE.A 343 -51.65 38.01 88.69 -51.46 38.73 88.02 -49.80 36.73 89.65 -49.04 37.69 89.69 -50.98 36.72 88.69 -50.46 36.35 87.29 3 0 17.28-999 ?-999 ?-999 ? CL CL A 584 mTHR.A 344 -49.65 35.65 90.40 -50.34 34.94 90.27 -47.76 34.28 91.10 -48.17 33.44 90.30 -48.56 35.56 91.35 -49.09 35.61 92.82 2 0 20.47-999 ?-999 ?-999 ? CL CL A 584 mSER.A 345 -46.62 34.15 91.76 -46.42 34.92 92.37 -46.51 31.70 91.87 -46.13 30.63 91.38 -45.76 33.00 91.61 -44.57 33.13 92.58 2 0 22.27-999 ?-999 ?-999 ? CL CL A 584 mGLU.A 346 -47.60 31.79 92.64 -47.79 32.71 92.96 -49.79 30.70 92.31 -50.78 30.20 92.85 -48.42 30.62 92.96 -48.59 30.51 94.47 2 0 23.81-999 ?-999 ?-999 ? CL CL A 584 mASN.A 347 -49.84 31.33 91.15 -48.97 31.68 90.81 -50.85 31.51 88.95 -51.63 32.07 88.19 -51.10 31.48 90.45 -51.78 32.77 90.88 2 0 20.87-999 ?-999 ?-999 ? CL CL A 584 mVAL.A 348 -49.75 30.89 88.54 -49.22 30.45 89.26 -49.87 29.63 86.38 -50.45 29.75 85.30 -49.38 30.86 87.13 -47.85 30.98 86.98 3 0 18.59-999 ?-999 ?-999 ? CL CL A 584 mLEU.A 349 -49.63 28.44 86.94 -49.15 28.49 87.82 -51.56 27.14 86.01 -52.03 26.24 85.32 -50.06 27.19 86.31 -49.72 25.98 87.18 3 0 20.22-999 ?-999 ?-999 ? CL CL A 584 mSER.A 350 -52.28 28.12 86.53 -51.76 28.79 87.06 -54.10 29.35 85.42 -55.17 29.35 84.82 -53.72 28.20 86.34 -54.41 28.38 87.70 2 0 19.42-999 ?-999 ?-999 ? CL CL A 584 mASN.A 351 -53.22 30.33 85.31 -52.39 30.22 85.86 -53.68 31.01 83.02 -53.17 29.96 82.63 -53.48 31.48 84.45 -52.31 32.46 84.51 2 0 15.84-999 ?-999 ?-999 ? CL CL A 584 mARG.A 352 -54.43 31.79 82.25 -54.79 32.60 82.71 -54.63 32.71 79.95 -54.31 32.60 78.76 -54.70 31.48 80.85 -56.07 30.79 80.70 2 0 13.38-999 ?-999 ?-999 ? CL CL A 584 mALA.A 353 -54.92 33.89 80.51 -55.16 33.82 81.48 -53.42 35.62 79.54 -52.71 35.97 80.48 -54.87 35.16 79.77 -55.65 36.24 80.51 2 0 10.13-999 ?-999 ?-999 ? CL CL A 584 mALA.A 354 -53.01 35.64 78.27 -53.70 35.35 77.61 -51.53 37.55 77.76 -52.53 38.25 77.59 -51.66 36.04 77.89 -51.26 35.38 76.59 2 0 7.90-999 ?-999 ?-999 ? CL CL A 584 mARG.A 355 -50.31 38.05 77.86 -49.59 37.37 78.00 -50.50 39.96 76.36 -51.21 40.96 76.22 -50.06 39.48 77.75 -48.57 39.78 77.93 2 0 6.42-999 ?-999 ?-999 ? CL CL A 584 mTYR~A 356 -50.09 39.23 75.34 -49.53 38.43 75.57 -51.28 38.50 73.35 -50.78 37.67 72.58 -50.44 39.60 73.99 -49.17 39.84 73.17 3 0 -3.31-999 ?-999 ?-999 ? CL CL A 584s mPRO~A 357 -52.59 38.48 73.66 -52.87 39.19 74.30 -53.33 37.35 71.59 -53.25 36.24 71.07 -53.51 37.48 73.10 -54.88 38.04 73.47 3 0 -4.14-999 ?-999 ?-999 ? CL CL A 584s mALA~A 358 -53.24 38.47 70.89 -53.32 39.31 71.43 -51.81 37.61 69.08 -51.88 36.72 68.22 -53.05 38.44 69.45 -52.90 39.85 68.92 2 0 4.01-999 ?-999 ?-999 ? CL CL A 584s mLEU~A 359 -50.69 37.87 69.74 -50.78 38.60 70.43 -49.62 35.69 69.76 -49.18 34.83 69.00 -49.44 37.16 69.47 -48.30 37.70 70.35 3 0 5.61-999 ?-999 ?-999 ? CL CL A 585 mALA~A 360 -50.26 35.40 70.89 -50.55 36.19 71.43 -51.27 33.35 70.17 -50.82 32.35 69.61 -50.49 34.03 71.28 -51.27 33.96 72.58 2 0 7.44-999 ?-999 ?-999 ? CL CL A 585 mASP~A 361 -52.43 33.90 69.82 -52.70 34.73 70.31 -52.43 32.99 67.49 -52.62 31.95 66.87 -53.21 33.26 68.78 -54.44 34.07 68.42 2 0 5.50-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 362 -51.58 33.93 67.08 -51.51 34.74 67.67 -49.93 32.51 65.96 -49.78 31.78 64.98 -50.81 33.74 65.86 -49.94 34.97 65.58 3 0 4.16-999 ?-999 ?-999 ? CL CL A 585 mTYR~A 363 -49.36 32.26 67.13 -49.56 32.93 67.85 -49.33 29.79 67.24 -48.85 28.77 66.76 -48.50 31.08 67.31 -47.75 31.15 68.65 3 0 7.91-999 ?-999 ?-999 ? CL CL A 585 mARG~A 364 -50.57 29.87 67.72 -50.80 30.77 68.10 -51.82 28.46 66.24 -51.83 27.31 65.81 -51.49 28.75 67.70 -52.78 29.09 68.43 2 0 9.04-999 ?-999 ?-999 ? CL CL A 585 mALA~A 365 -52.10 29.52 65.50 -52.05 30.39 66.00 -51.36 28.72 63.30 -51.66 27.97 62.38 -52.45 29.43 64.09 -52.71 30.81 63.53 2 0 7.91-999 ?-999 ?-999 ? CL CL A 585 mLEU~A 366 -50.10 28.97 63.67 -50.03 29.62 64.43 -48.76 26.92 63.51 -47.98 26.15 62.93 -48.95 28.35 63.02 -47.67 29.13 63.30 3 0 9.94-999 ?-999 ?-999 ? CL CL A 585 mGLY.A 367 -49.47 26.57 64.57 -50.05 27.29 64.95 -48.07 25.04 65.86 -47.44 23.99 65.74 -49.38 25.23 65.13-999.99-999.99-999.99 1 0 12.53-999 ?-999 ?-999 ? CL CL A 585 mLEU.A 368 -47.65 26.05 66.61 -48.25 26.85 66.63 -46.57 25.85 68.85 -45.60 25.63 69.57 -46.40 25.95 67.34 -45.52 27.15 67.00 3 0 13.23-999 ?-999 ?-999 ? CL CL A 585 mVAL.A 369 -47.80 26.00 69.32 -48.49 26.17 68.63 -49.42 25.23 71.00 -50.28 25.23 70.12 -48.08 25.91 70.75 -48.12 27.30 71.40 3 0 13.60-999 ?-999 ?-999 ? CL CL A 585 mASP.A 370 -49.60 24.67 72.19 -48.80 24.75 72.79 -51.83 25.06 73.09 -51.47 26.23 73.19 -50.84 24.01 72.58 -50.58 23.01 73.70 2 0 15.40-999 ?-999 ?-999 ? CL CL A 585 mLYS.A 371 -53.05 24.65 73.42 -53.21 23.67 73.29 -53.42 26.62 74.84 -53.41 27.81 74.51 -54.05 25.58 73.92 -55.15 24.86 74.70 2 0 14.74-999 ?-999 ?-999 ? CL CL A 585 mGLN~A 372 -52.89 26.20 75.98 -52.98 25.22 76.16 -51.70 26.45 78.11 -50.51 26.19 78.24 -52.23 27.14 76.88 -53.18 28.28 77.30 2 0 15.02-999 ?-999 ?-999 ? CL CL A 584 mGLY~A 373 -52.61 26.17 79.04 -53.54 26.45 78.84 -51.52 24.20 79.90 -50.61 23.75 80.59 -52.21 25.50 80.26-999.99-999.99-999.99 1 0 17.85-999 ?-999 ?-999 ? CL CL A 584 mVAL~A 374 -51.97 23.60 78.80 -52.71 24.07 78.32 -49.87 22.49 78.25 -49.12 21.60 78.65 -51.38 22.34 78.35 -51.94 21.92 76.98 3 0 19.01-999 ?-999 ?-999 ? CL CL A 586 mGLY~A 375 -49.42 23.64 77.74 -50.14 24.28 77.46 -47.24 23.75 78.89 -46.49 22.79 79.08 -48.00 23.90 77.59-999.99-999.99-999.99 1 0 15.79-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 376 -47.43 24.70 79.79 -48.06 25.43 79.52 -46.95 23.32 81.81 -46.02 22.81 82.44 -46.73 24.65 81.06 -47.17 25.81 81.96 3 0 16.20-999 ?-999 ?-999 ? CL CL A 586 mASP~A 377 -48.16 22.77 81.73 -48.82 23.29 81.19 -47.67 20.32 81.82 -47.17 19.48 82.56 -48.46 21.50 82.41 -49.97 21.18 82.34 2 0 17.94-999 ?-999 ?-999 ? CL CL A 586 mARG~A 378 -47.58 20.24 80.50 -48.05 20.97 79.99 -45.37 19.34 80.22 -44.62 18.37 80.32 -46.83 19.16 79.87 -46.99 19.20 78.36 2 0 15.36-999 ?-999 ?-999 ? CL CL A 586 mMETA 379 -44.97 20.59 80.41 -45.68 21.29 80.29 -43.37 20.29 82.15 -42.51 19.43 82.32 -43.59 20.89 80.77 -43.36 22.40 80.80 2 0 12.98-999 ?-999 ?-999 ? CL CL A 586 mTYR~A 380 -44.14 20.74 83.13 -44.80 21.44 82.86 -43.98 18.70 84.46 -43.05 18.09 84.98 -44.02 20.22 84.49 -45.20 20.67 85.33 3 0 15.79-999 ?-999 ?-999 ? CL CL A 586 mGLN~A 381 -45.00 18.10 83.85 -45.69 18.73 83.49 -43.77 16.06 83.24 -43.15 15.24 83.93 -45.09 16.65 83.74 -46.24 16.27 82.80 2 0 16.57-999 ?-999 ?-999 ? CL CL A 586 mALA~A 382 -43.33 16.47 82.06 -43.92 17.15 81.61 -40.95 15.95 82.50 -40.12 15.04 82.48 -42.10 15.96 81.48 -41.71 16.78 80.26 2 0 13.23-999 ?-999 ?-999 ? CL CL A 586 mMETA 383 -40.90 16.94 83.38 -41.63 17.62 83.30 -40.07 15.92 85.44 -39.26 15.03 85.64 -39.83 16.98 84.38 -39.75 18.36 85.04 2 0 13.73-999 ?-999 ?-999 ? CL CL A 586 mILE~A 384 -41.20 16.03 86.12 -41.77 16.80 85.85 -41.36 13.63 86.67 -40.65 12.85 87.31 -41.56 15.08 87.15 -43.02 15.32 87.60 3 0 17.42-999 ?-999 ?-999 ? CL CL A 586 mALA~A 385 -41.98 13.29 85.54 -42.49 14.04 85.13 -40.51 11.32 84.85 -40.38 10.09 84.85 -41.91 11.94 84.94 -42.55 11.97 83.55 2 0 17.26-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 386 -39.48 12.15 84.73 -39.73 13.12 84.70 -37.44 11.75 86.03 -36.23 11.56 86.15 -38.11 11.67 84.67 -37.30 12.48 83.67 3 0 15.64-999 ?-999 ?-999 ? CL CL A 586 mGLY.A 387 -38.23 12.03 87.06 -39.19 12.19 86.83 -36.95 13.38 88.76 -36.36 13.44 89.84 -37.68 12.10 88.40-999.99-999.99-999.99 1 0 18.27-999 ?-999 ?-999 ? CL CL A 586 mHIS.A 388 -36.98 14.37 87.88 -37.48 14.15 87.04 -37.34 16.50 88.87 -38.48 16.07 89.05 -36.34 15.67 88.10 -36.04 16.39 86.78 3 0 16.27-999 ?-999 ?-999 ? CL CL A 586 mARG.A 389 -36.92 17.67 89.31 -35.96 17.88 89.09 -38.53 19.51 89.10 -37.97 19.99 88.11 -37.79 18.58 90.05 -36.99 19.39 91.06 2 0 17.79-999 ?-999 ?-999 ? CL CL A 586 mPRO.A 390 -39.80 19.79 89.40 -40.11 19.34 90.24 -40.05 21.99 88.25 -39.39 22.63 89.06 -40.66 20.65 88.60 -41.90 20.80 89.46 3 0 17.28-999 ?-999 ?-999 ? CL CL A 586 mPRO.A 391 -40.27 22.43 87.02 -40.82 21.83 86.44 -40.24 24.85 87.45 -41.44 25.08 87.53 -39.72 23.71 86.60 -40.16 23.80 85.14 3 0 15.33-999 ?-999 ?-999 ? CL CL A 586 mTHR^A 392 -39.33 25.56 88.11 -38.38 25.26 87.98 -39.73 27.96 88.12 -38.78 28.27 87.39 -39.72 26.68 88.94 -38.77 26.89 90.12 2 0 18.16-999 ?-999 ?-999 ? CL CL A 586 mILE^A 393 -40.81 28.71 88.26 -41.50 28.34 88.89 -41.36 31.11 88.50 -42.50 31.19 88.94 -40.97 29.97 87.55 -41.99 29.80 86.37 3 0 18.82-999 ?-999 ?-999 ? CL CL A 586 mGLU^A 394 -40.38 31.97 88.82 -39.50 31.76 88.40 -40.22 34.45 89.08 -39.46 34.48 88.10 -40.60 33.10 89.72 -39.79 32.94 91.01 2 0 21.98-999 ?-999 ?-999 ? CL CL A 586 mGLU^A 395 -40.74 35.54 89.65 -41.32 35.34 90.43 -39.19 37.45 89.78 -38.96 37.36 90.99 -40.48 36.91 89.17 -41.65 37.84 89.53 2 0 21.34-999 ?-999 ?-999 ? CL CL A 584 mILE^A 396 -38.35 38.01 88.93 -38.67 38.01 87.98 -37.07 40.07 89.19 -37.70 40.61 88.29 -37.08 38.56 89.34 -35.94 37.96 88.49 3 0 23.30-999 ?-999 ?-999 ? CL CL A 584 mALA.A 397 -36.36 40.74 90.10 -35.92 40.18 90.79 -35.72 42.61 88.67 -34.65 42.17 88.25 -36.27 42.20 90.04 -35.37 42.71 91.15 2 0 24.19-999 ?-999 ?-999 ? CL CL A 584 mGLY.A 398 -36.48 43.46 87.98 -37.32 43.74 88.43 -37.01 44.98 86.11 -36.60 46.13 85.94 -36.08 43.92 86.67-999.99-999.99-999.99 1 0 22.09-999 ?-999 ?-999 ? CL CL A 584 mPRO.A 399 -38.29 44.65 85.84 -38.79 45.44 85.50 -38.45 42.25 85.06 -38.07 42.51 83.92 -38.95 43.35 86.00 -40.41 43.69 85.73 3 0 19.50-999 ?-999 ?-999 ? CL CL A 584 mPHE^A 400 -38.47 41.02 85.56 -38.83 40.97 86.49 -38.77 38.62 85.28 -39.22 38.56 86.42 -38.02 39.85 84.80 -36.53 39.64 85.03 3 0 19.31-999 ?-999 ?-999 ? CL CL A 584 mVAL^A 401 -38.92 37.63 84.42 -38.53 37.80 83.51 -38.70 35.25 84.37 -38.61 34.95 83.18 -39.59 36.40 84.81 -40.95 36.24 84.10 3 0 18.78-999 ?-999 ?-999 ? CL CL A 584 mGLU^A 402 -38.04 34.60 85.32 -38.19 34.89 86.26 -37.72 32.14 85.22 -38.23 31.90 86.32 -37.18 33.52 84.90 -35.77 33.69 85.49 2 0 17.81-999 ?-999 ?-999 ? CL CL A 586 mTHR^A 403 -37.64 31.25 84.24 -37.25 31.62 83.39 -36.79 29.07 84.46 -35.88 29.27 83.67 -38.07 29.88 84.39 -38.93 29.43 83.18 2 0 15.30-999 ?-999 ?-999 ? CL CL A 586 mTHR^A 404 -36.71 28.18 85.45 -37.53 28.13 86.03 -35.84 25.88 85.54 -36.72 25.36 86.23 -35.51 27.37 85.64 -34.88 27.61 87.02 2 0 14.38-999 ?-999 ?-999 ? CL CL A 586 mLEU^A 405 -35.11 25.19 84.67 -34.43 25.74 84.18 -34.01 23.05 84.87 -32.97 23.25 84.26 -35.27 23.76 84.45 -35.51 23.47 82.97 3 0 11.98-999 ?-999 ?-999 ? CL CL A 586 mVAL^A 406 -34.09 22.22 85.91 -34.99 22.16 86.34 -32.99 20.00 85.89 -33.79 19.23 86.41 -32.91 21.47 86.34 -32.74 21.50 87.88 3 0 13.35-999 ?-999 ?-999 ? CL CL A 586 mGLY.A 407 -32.14 19.62 84.94 -31.51 20.32 84.61 -31.01 17.32 84.79 -30.55 17.27 85.93 -32.17 18.25 84.44-999.99-999.99-999.99 1 0 11.77-999 ?-999 ?-999 ? CL CL A 586 mGLY.A 408 -30.55 16.58 83.80 -30.99 16.72 82.91 -29.91 14.21 83.76 -30.90 13.97 83.07 -29.47 15.64 84.02-999.99-999.99-999.99 1 0 12.75-999 ?-999 ?-999 ? CL CL A 586 mARG.A 409 -29.18 13.24 84.30 -28.39 13.55 84.84 -30.88 11.52 84.73 -31.21 12.03 85.81 -29.54 11.85 84.09 -28.46 10.92 84.65 2 0 14.75-999 ?-999 ?-999 ? CL CL A 586 mPRO.A 410 -31.67 10.67 84.07 -31.32 10.32 83.21 -32.78 9.38 85.83 -31.75 8.71 85.95 -32.97 10.32 84.65 -33.69 9.66 83.47 3 0 15.71-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 411 -33.76 9.35 86.72 -34.52 9.97 86.52 -34.49 7.19 87.55 -35.72 7.17 87.53 -33.72 8.48 87.89 -34.31 9.19 89.16 3 0 19.37-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 412 -33.74 6.13 87.27 -32.76 6.30 87.33 -35.52 4.37 87.69 -36.59 4.16 87.11 -34.29 4.83 86.89 -33.21 3.74 86.98 3 0 21.25-999 ?-999 ?-999 ? CL CL A 586 mPRO~A 413 -35.39 4.20 89.02 -34.49 4.40 89.42 -37.85 4.50 89.41 -38.89 3.89 89.18 -36.56 3.76 89.78 -36.12 3.94 91.23 3 0 24.20-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 414 -37.78 5.82 89.35 -36.88 6.21 89.56 -39.45 6.27 87.60 -40.66 6.18 87.36 -38.95 6.61 89.00 -38.65 8.11 89.09 3 0 22.19-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 415 -38.53 6.08 86.66 -37.58 6.19 86.98 -39.73 4.51 85.23 -40.75 4.47 84.53 -38.89 5.75 85.29 -37.65 5.53 84.44 3 0 20.29-999 ?-999 ?-999 ? CL CL A 586 mGLU~A 416 -39.29 3.48 85.94 -38.44 3.66 86.44 -41.28 2.30 86.79 -42.27 1.65 86.44 -39.99 2.20 85.99 -39.07 1.12 86.57 2 0 23.73-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 417 -41.28 3.11 87.85 -40.41 3.56 88.03 -43.57 3.78 87.69 -44.69 3.28 87.70 -42.49 3.28 88.64 -42.26 4.29 89.77 3 0 25.30-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 418 -43.22 4.77 86.88 -42.27 5.08 86.99 -44.41 4.35 84.77 -45.52 4.24 84.26 -44.14 5.34 85.90 -43.55 6.61 85.30 3 0 22.96-999 ?-999 ?-999 ? CL CL A 586 mSER~A 419 -43.36 3.63 84.39 -42.53 3.83 84.91 -44.39 1.51 83.68 -44.83 0.75 82.81 -43.44 2.64 83.33 -42.03 2.09 83.08 2 0 23.32-999 ?-999 ?-999 ? CL CL A 586 mSER~A 420 -44.74 1.41 84.96 -44.35 2.12 85.54 -47.03 0.81 85.76 -47.82 0.08 86.37 -45.62 0.35 85.45 -45.01 -0.26 86.70 2 0 25.61-999 ?-999 ?-999 ? CO CO C 601 mILE^A 421 -47.35 2.02 85.33 -46.61 2.50 84.85 -49.70 1.93 84.64 -49.40 1.54 83.51 -48.66 2.58 85.56 -48.63 4.09 85.32 3 0 23.90-999 ?-999 ?-999 ? CO CO C 601 mVAL^A 422 -50.92 1.82 85.15 -50.99 2.17 86.09 -53.30 1.97 84.83 -53.52 2.20 86.02 -52.03 1.25 84.41 -52.18 -0.27 84.70 3 0 20.42-999 ?-999 ?-999 ? CO CO C 601 mPRO~A 423 -54.14 2.35 83.86 -54.95 2.81 84.24 -52.73 2.83 81.88 -52.25 3.81 82.45 -53.98 2.16 82.42 -55.24 2.77 81.87 3 0 18.07-999 ?-999 ?-999 ? CO CO C 601 mGLU~A 424 -52.22 2.31 80.77 -52.74 1.53 80.43 -51.18 4.33 79.81 -50.24 5.12 79.95 -51.03 2.84 80.12 -50.78 2.08 78.81 2 0 19.12-999 ?-999 ?-999 ? CO CO C 601 mALA~A 425 -52.38 4.71 79.39 -53.05 3.98 79.33 -52.49 7.06 80.24 -52.54 8.27 80.06 -52.64 6.09 79.06 -54.03 6.22 78.44 2 0 18.96-999 ?-999 ?-999 ? CO CO C 601 mARG~A 426 -52.32 6.54 81.46 -52.30 5.54 81.51 -50.75 7.80 82.93 -50.51 8.65 83.79 -52.18 7.44 82.59 -52.85 6.86 83.82 2 0 21.79-999 ?-999 ?-999 ? CO CO C 601 mGLN~A 427 -49.79 7.17 82.26 -50.13 6.52 81.58 -48.02 8.90 82.31 -47.51 9.56 83.22 -48.38 7.43 82.51 -47.53 6.55 81.60 2 0 22.40-999 ?-999 ?-999 ? CL CL A 586 mASP.A 428 -48.28 9.42 81.13 -48.71 8.79 80.48 -49.09 11.76 81.27 -49.25 12.85 80.71 -47.97 10.81 80.83 -47.69 10.95 79.34 2 0 19.51-999 ?-999 ?-999 ? CL CL A 586 mASP~A 429 -49.86 11.36 82.28 -49.62 10.46 82.65 -50.47 13.17 83.83 -49.88 12.79 84.84 -50.95 12.18 82.78 -52.06 11.29 83.35 2 0 22.05-999 ?-999 ?-999 ? CL CL A 586 mTYR~A 430 -50.75 14.44 83.58 -51.25 14.59 82.73 -50.86 15.38 85.89 -50.14 15.70 86.84 -50.35 15.53 84.47 -50.82 16.87 83.90 3 0 21.31-999 ?-999 ?-999 ? CL CL A 586 mARG~A 431 -52.09 14.89 86.05 -52.57 14.66 85.21 -51.90 13.70 88.23 -51.47 13.99 89.35 -52.65 14.72 87.40 -54.13 14.33 87.36 2 0 24.97-999 ?-999 ?-999 ? CL CL A 586 mILE~A 432 -51.75 12.49 87.70 -52.13 12.35 86.78 -49.60 11.94 88.67 -48.94 11.52 89.61 -51.05 11.50 88.47 -51.17 10.08 87.82 3 0 25.42-999 ?-999 ?-999 ? CL CL A 586 mALA~A 433 -49.10 12.82 87.80 -49.73 13.11 87.08 -47.62 14.22 89.17 -46.73 14.05 90.01 -47.72 13.31 87.94 -47.30 14.08 86.69 2 0 22.16-999 ?-999 ?-999 ? CL CL A 586 mILE~A 434 -48.53 15.17 89.28 -49.19 15.21 88.53 -48.77 15.27 91.68 -48.04 15.39 92.66 -48.52 16.08 90.41 -49.61 17.15 90.28 3 0 23.68-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 435 -49.82 14.45 91.66 -50.35 14.44 90.81 -48.90 12.83 93.24 -48.46 12.92 94.38 -50.12 13.66 92.84 -51.31 12.73 92.63 3 0 27.05-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 436 -48.35 12.03 92.34 -48.77 12.02 91.43 -46.06 12.16 93.24 -45.35 11.81 94.19 -47.18 11.25 92.73 -46.67 10.40 91.57 3 0 26.02-999 ?-999 ?-999 ? CL CL A 586 mTYR~A 437 -45.89 13.33 92.63 -46.52 13.55 91.89 -45.04 14.68 94.53 -44.13 14.59 95.35 -44.81 14.20 93.10 -44.62 15.40 92.16 3 0 24.14-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 438 -46.23 15.17 94.84 -46.90 15.20 94.10 -46.16 14.53 97.20 -45.72 14.81 98.32 -46.48 15.63 96.20 -47.93 16.04 96.37 3 0 27.24-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 439 -46.38 13.28 96.81 -46.74 13.17 95.88 -44.61 11.81 97.77 -44.19 11.08 98.68 -46.09 12.18 97.71 -46.92 10.96 97.36 3 0 29.19-999 ?-999 ?-999 ? CL CL A 586 mPHE~A 440 -43.81 12.29 96.81 -44.29 12.83 96.12 -41.79 12.84 97.95 -40.74 12.50 98.50 -42.37 12.03 96.80 -41.69 12.51 95.50 3 0 26.99-999 ?-999 ?-999 ? CL CL A 586 mGLN~A 441 -42.48 13.93 98.28 -43.30 14.07 97.73 -42.79 14.47 100.64 -42.25 13.78 101.51 -42.06 14.84 99.36 -42.44 16.28 99.02 2 0 28.44-999 ?-999 ?-999 ? CL CL A 586 mARG~A 442 -44.03 14.94 100.75 -44.33 15.48 99.96 -45.19 13.22 102.08 -45.17 12.45 101.13 -44.86 14.70 101.92 -46.16 15.50 101.79 2 0 31.77-999 ?-999 ?-999 ? CL CL A 586 mPRO.A 443 -45.50 12.80 103.32 -45.48 13.52 104.01 -47.33 11.14 103.31 -47.69 10.08 102.79 -45.85 11.41 103.62 -45.55 11.31 105.11 3 0 34.45-999 ?-999 ?-999 ? CL CL A 586 mPHE.A 444 -48.18 12.11 103.62 -47.76 12.91 104.06 -50.03 13.18 102.52 -49.41 14.25 102.56 -49.60 11.98 103.35 -50.41 11.92 104.64 3 0 35.61-999 ?-999 ?-999 ? CL CL A 586 mILE.A 445 -51.11 13.02 101.77 -51.54 12.11 101.82 -53.09 14.35 101.20 -53.87 13.40 101.35 -51.60 14.10 100.94 -51.28 13.79 99.44 3 0 34.12-999 ?-999 ?-999 ? CL CL A 586 mTHR~A 446 -53.48 15.61 101.30 -52.74 16.28 101.20 -55.40 16.71 100.32 -54.63 17.31 99.57 -54.87 15.97 101.52 -55.06 16.87 102.77 2 0 36.15-999 ?-999 ?-999 ? CL CL A 586 mILE~A 447 -56.72 16.68 100.13 -57.22 16.16 100.82 -56.92 18.82 98.88 -56.87 19.36 97.79 -57.33 17.35 99.00 -58.86 17.26 99.08 3 0 35.64-999 ?-999 ?-999 ? CL CL A 586 mASP~A 448 -56.62 19.45 100.01 -56.70 18.90 100.84 -54.79 20.96 99.42 -54.51 21.88 98.65 -56.19 20.84 100.00 -56.20 21.43 101.41 2 0 34.82-999 ?-999 ?-999 ? CL CL A 584 mVAL~A 449 -53.90 20.05 99.80 -54.26 19.36 100.43 -52.41 19.79 97.85 -51.58 20.37 97.14 -52.52 20.07 99.33 -51.67 19.02 100.03 3 0 32.66-999 ?-999 ?-999 ? CL CL A 586 mVAL~A 450 -53.24 18.86 97.39 -53.84 18.46 98.09 -53.73 19.72 95.21 -53.24 19.99 94.12 -53.28 18.50 96.00 -54.27 17.36 95.77 3 0 30.61-999 ?-999 ?-999 ? CL CL A 586 mALA~A 451 -54.66 20.47 95.80 -54.95 20.14 96.70 -54.15 22.76 95.04 -53.90 23.27 93.94 -55.21 21.67 95.18 -56.38 22.19 95.99 2 0 30.45-999 ?-999 ?-999 ? CL CL A 584 mARG~A 452 -53.54 23.14 96.15 -53.84 22.66 96.98 -51.41 23.74 95.17 -50.70 24.58 94.62 -52.52 24.16 96.13 -51.97 24.38 97.54 2 0 29.54-999 ?-999 ?-999 ? CL CL A 584 mGLY~A 453 -51.29 22.43 94.96 -51.93 21.85 95.46 -50.57 22.20 92.60 -49.73 22.69 91.87 -50.27 21.91 94.06-999.99-999.99-999.99 1 0 27.12-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 454 -51.79 21.87 92.18 -52.36 21.46 92.89 -52.57 23.56 90.62 -52.84 24.00 89.51 -52.24 22.09 90.81 -53.51 21.30 90.54 3 0 26.10-999 ?-999 ?-999 ? CL CL A 586 mGLN~A 455 -52.56 24.29 91.73 -52.32 23.79 92.56 -54.29 25.89 91.17 -54.57 26.85 90.44 -52.88 25.71 91.71 -51.87 26.47 90.84 2 0 25.08-999 ?-999 ?-999 ? CL CL A 584 mSER.A 456 -55.19 24.98 91.54 -54.83 24.27 92.14 -57.56 24.86 92.23 -57.17 24.56 93.35 -56.56 25.04 91.09 -56.81 23.97 90.02 2 0 25.36-999 ?-999 ?-999 ? CL CL A 584 mGLY~A 457 -58.84 25.06 91.92 -59.00 25.29 90.96 -59.98 23.56 93.53 -59.23 22.66 93.16 -59.90 24.93 92.90-999.99-999.99-999.99 1 0 27.51-999 ?-999 ?-999 ? CL CL A 584 mLYS~A 458 -60.89 23.39 94.48 -61.45 24.19 94.69 -61.59 21.04 94.21 -61.44 19.85 94.46 -61.03 22.10 95.14 -61.87 22.24 96.41 2 0 30.66-999 ?-999 ?-999 ? CO CO A 601 mGLU~A 459 -62.22 21.48 93.13 -62.28 22.47 93.04 -61.67 19.77 91.46 -61.66 18.54 91.44 -62.77 20.53 92.17 -63.62 21.26 91.13 2 0 27.66-999 ?-999 ?-999 ? CO CO A 601 mALA~A 460 -60.73 20.50 90.87 -60.84 21.49 90.96 -58.90 18.89 91.10 -58.47 17.81 90.68 -59.63 19.86 90.17 -58.67 20.90 89.63 2 0 28.54-999 ?-999 ?-999 ? CO CO A 601 mALA~A 461 -58.77 19.27 92.36 -59.18 20.16 92.57 -58.77 17.10 93.49 -58.13 16.05 93.41 -58.09 18.45 93.35 -58.07 19.17 94.68 2 0 31.74-999 ?-999 ?-999 ? CL CL A 584 mARG~A 462 -60.08 17.14 93.70 -60.47 18.06 93.75 -60.67 15.05 92.60 -60.43 13.85 92.70 -60.87 15.92 93.85 -62.35 16.27 94.02 2 0 31.38-999 ?-999 ?-999 ? CO CO C 601 mASN~A 463 -60.76 15.69 91.44 -60.95 16.67 91.53 -59.24 14.33 90.04 -59.17 13.15 89.72 -60.58 15.04 90.15 -60.71 16.07 89.02 2 0 28.17-999 ?-999 ?-999 ? CO CO C 601 mALA~A 464 -58.16 15.07 90.30 -58.34 16.02 90.53 -56.76 13.29 91.18 -56.45 12.18 90.76 -56.83 14.48 90.22 -55.78 15.52 90.60 2 0 28.79-999 ?-999 ?-999 ? CO CO C 601 mLEU~A 465 -57.08 13.52 92.46 -57.34 14.46 92.67 -57.79 11.20 92.95 -57.22 10.10 92.96 -57.06 12.44 93.44 -57.65 12.92 94.77 3 0 29.81-999 ?-999 ?-999 ? CO CO C 601 mGLU~A 466 -59.03 11.37 92.51 -59.37 12.31 92.57 -59.07 9.49 90.91 -58.86 8.29 91.01 -59.82 10.25 92.00 -61.17 10.73 91.43 2 0 26.72-999 ?-999 ?-999 ? CO CO C 601 mALA~A 467 -58.66 10.20 89.86 -58.88 11.17 89.89 -56.71 8.79 89.29 -56.35 7.75 88.75 -57.94 9.55 88.78 -57.52 10.58 87.74 2 0 24.34-999 ?-999 ?-999 ? CO CO C 601 mALA~A 468 -56.07 9.30 90.34 -56.46 10.14 90.70 -55.31 7.42 91.68 -54.58 6.43 91.77 -54.90 8.63 90.87 -54.10 9.58 91.75 2 0 26.57-999 ?-999 ?-999 ? CO CO C 601 mARG~A 469 -56.50 7.50 92.27 -56.98 8.36 92.11 -57.38 5.23 92.18 -57.40 4.09 92.61 -57.01 6.40 93.07 -58.24 6.83 93.87 2 0 26.54-999 ?-999 ?-999 ? CO CO C 601 mGLN~A 470 -57.69 5.54 90.92 -57.63 6.52 90.71 -56.90 4.07 89.10 -57.03 3.17 88.28 -58.07 4.52 89.96 -59.19 5.03 89.07 2 0 22.78-999 ?-999 ?-999 ? CO CO C 601 mTHR.A 471 -55.75 4.72 89.28 -55.78 5.45 89.96 -53.99 3.17 89.27 -54.21 3.04 90.47 -54.58 4.35 88.51 -53.56 5.49 88.46 2 0 22.99-999 ?-999 ?-999 ? CO CO C 601 mTHR^A 472 -53.26 2.31 88.57 -53.15 2.53 87.60 -51.24 0.86 88.83 -50.85 0.97 87.68 -52.67 1.13 89.21 -53.45 -0.14 88.87 2 0 23.54-999 ?-999 ?-999 ? CO CO C 601 mVAL^A 473 -50.46 0.49 89.84 -50.92 0.46 90.72 -48.82 -1.11 90.46 -49.01 -1.13 91.68 -49.07 0.14 89.66 -48.14 1.24 90.14 3 0 25.86-999 ?-999 ?-999 ? CO CO C 601 mALA.A 474 -48.42 -2.15 89.74 -48.33 -1.95 88.77 -49.39 -4.09 90.88 -49.35 -4.74 91.92 -48.13 -3.47 90.31 -47.05 -3.37 91.39 2 0 26.57-999 ?-999 ?-999 ? CO CO C 601 mGLY.A 475 -50.52 -3.89 90.20 -50.43 -3.32 89.38 -52.39 -3.76 91.84 -53.42 -4.19 92.36 -51.76 -4.47 90.65-999.99-999.99-999.99 1 0 24.56-999 ?-999 ?-999 ? CO CO C 601 mALA^A 476 -51.78 -2.67 92.28 -50.95 -2.42 91.78 -52.46 -0.47 92.99 -51.69 0.04 92.19 -52.32 -1.92 93.39 -51.41 -2.05 94.60 2 0 26.68-999 ?-999 ?-999 ? CO CO C 601 mPRO^A 477 -53.47 0.21 93.55 -54.03 -0.31 94.18 -52.52 2.48 93.72 -51.81 2.10 94.65 -53.68 1.62 93.23 -55.00 1.93 93.94 3 0 26.46-999 ?-999 ?-999 ? CO CO C 601 mLEU.A 478 -52.33 3.62 93.07 -52.98 3.78 92.33 -51.42 5.01 94.85 -50.60 4.71 95.71 -51.27 4.55 93.42 -51.31 5.76 92.50 3 0 28.60-999 ?-999 ?-999 ? CO CO C 601 mILE^A 479 -52.49 5.75 95.11 -53.09 5.93 94.33 -53.73 5.34 97.13 -54.48 4.60 96.48 -52.73 6.24 96.44 -53.25 7.67 96.42 3 0 30.95-999 ?-999 ?-999 ? CO CO C 601 mILE^A 480 -53.73 5.40 98.45 -53.06 6.04 98.83 -55.11 5.51 100.38 -54.35 6.33 100.88 -54.63 4.60 99.26 -53.88 3.37 99.84 3 0 32.15-999 ?-999 ?-999 ? CO CO C 601 mALA^A 481 -56.37 5.35 100.77 -56.87 4.63 100.27 -56.72 5.57 103.22 -56.75 4.35 103.41 -56.95 6.16 101.82 -58.44 6.36 101.57 2 0 34.22-999 ?-999 ?-999 ? CO CO C 601 mHIS^A 482 -56.48 6.46 104.19 -56.46 7.40 103.86 -56.74 7.26 106.43 -56.45 8.41 106.12 -56.28 6.08 105.58 -54.80 5.78 105.86 3 0 37.83-999 ?-999 ?-999 ? CO CO C 601 mASP.A 483 -57.47 6.96 107.50 -57.63 5.98 107.65 -58.75 8.99 107.50 -59.78 8.64 106.92 -57.99 8.01 108.37 -56.85 8.73 109.09 2 0 40.61-999 ?-999 ?-999 ? CO CO C 601 mGLY.A 484 -58.23 10.20 107.39 -57.38 10.36 107.89 -57.94 11.80 105.55 -58.14 12.93 105.11 -58.88 11.20 106.57-999.99-999.99-999.99 1 0 39.90-999 ?-999 ?-999 ? CO CO C 601 mVAL^A 485 -56.91 11.06 105.18 -56.86 10.15 105.61 -55.63 10.49 103.18 -56.21 9.41 103.21 -55.94 11.56 104.22 -54.63 11.96 104.92 3 0 38.60-999 ?-999 ?-999 ? CO CO C 601 mTRP^A 486 -54.73 10.81 102.26 -54.36 11.73 102.35 -52.84 9.67 101.26 -52.10 10.57 101.65 -54.33 9.87 101.21 -54.70 10.42 99.84 3 0 35.77-999 ?-999 ?-999 ? CO CO C 601 mLEU^A 487 -52.39 8.50 100.85 -53.08 7.84 100.56 -50.50 7.15 99.88 -51.23 6.22 99.57 -50.96 8.24 100.85 -50.47 7.97 102.28 3 0 35.35-999 ?-999 ?-999 ? CL CL A 586 mLEU^A 488 -49.27 7.31 99.40 -48.79 8.11 99.75 -48.83 4.93 98.88 -48.61 4.60 100.04 -48.69 6.38 98.44 -47.21 6.73 98.26 3 0 33.12-999 ?-999 ?-999 ? CL CL A 586 mGLY~A 489 -49.22 4.06 97.95 -49.37 4.45 97.04 -48.06 1.91 98.38 -47.13 2.23 97.66 -49.39 2.64 98.26-999.99-999.99-999.99 1 0 33.02-999 ?-999 ?-999 ? CO CO C 601 mASN~A 490 -47.97 0.93 99.28 -48.81 0.76 99.79 -46.11 -0.31 98.18 -44.92 -0.62 98.13 -46.72 0.19 99.47 -46.94 -1.00 100.40 2 0 35.00-999 ?-999 ?-999 ? CO CO C 601 mALA~A 491 -46.92 -0.41 97.13 -47.86 -0.12 97.32 -45.33 -0.01 95.29 -44.28 -0.51 94.88 -46.47 -0.88 95.83 -47.64 -0.88 94.84 2 0 32.07-999 ?-999 ?-999 ? CO CO C 601 mCYH~A 492 -45.58 1.30 95.29 -46.47 1.53 95.67 -43.53 2.55 95.80 -42.37 2.65 95.43 -44.64 2.30 94.81 -45.37 3.61 94.54 2 0 30.84-999 ?-999 ?-999 ? CL CL A 586 mARG~A 493 -43.89 2.66 97.07 -44.87 2.58 97.25 -41.74 1.89 97.91 -40.58 2.26 98.05 -42.89 2.88 98.10 -43.49 2.69 99.48 2 0 32.36-999 ?-999 ?-999 ? CL CL A 586 mGLU~A 494 -42.06 0.64 97.59 -43.04 0.47 97.49 -40.12 -0.06 96.22 -38.93 -0.39 96.23 -41.02 -0.36 97.41 -41.63 -1.76 97.23 2 0 33.28-999 ?-999 ?-999 ? CL CL A 586 mILE~A 495 -40.69 0.56 95.19 -41.66 0.77 95.32 -39.08 2.14 94.24 -37.94 2.23 93.78 -39.93 0.90 93.98 -40.88 1.18 92.79 3 0 29.74-999 ?-999 ?-999 ? CL CL A 586 mLEU~A 496 -39.63 3.08 94.99 -40.55 2.86 95.32 -37.85 4.20 96.39 -36.95 5.04 96.45 -38.93 4.32 95.31 -39.95 5.41 95.70 3 0 28.36-999 ?-999 ?-999 ? CL CL A 586 mARG~A 497 -37.92 3.17 97.23 -38.70 2.57 97.07 -35.51 2.89 97.75 -34.53 3.11 98.48 -36.93 2.98 98.30 -37.22 1.69 99.09 2 0 31.21-999 ?-999 ?-999 ? CL CL A 586 mLYS.A 498 -35.40 2.56 96.47 -36.28 2.42 96.02 -33.71 3.71 95.07 -33.53 3.70 93.85 -34.11 2.42 95.80 -34.18 1.26 94.79 2 0 29.34-999 ?-999 ?-999 ? CL CL A 586 mVAL.A 499 -33.58 4.81 95.80 -33.78 4.69 96.77 -31.86 6.58 95.75 -30.83 6.56 95.06 -33.19 6.07 95.18 -34.29 7.15 95.36 3 0 26.66-999 ?-999 ?-999 ? CL CL A 586 mGLU.A 500 -31.88 7.04 97.00 -32.77 7.01 97.44 -30.93 7.95 99.08 -30.23 7.53 100.00 -30.67 7.54 97.64 -30.10 8.72 96.85 2 0 28.12-999 ?-999 ?-999 ? CL CL A 586 mGLU.B 9 -57.77 42.82 30.52 -58.26 42.23 29.88 -55.55 43.32 31.46 -55.11 42.55 30.60 -57.04 43.69 31.48 -57.63 43.53 32.89 2 0 19.44-999 ?-999 ?-999 ? CL CL B 584 mGLY~B 10 -54.79 43.86 32.40 -55.26 44.48 33.03 -53.06 42.22 33.10 -52.03 41.60 32.81 -53.36 43.56 32.47-999.99-999.99-999.99 1 0 22.08-999 ?-999 ?-999 ? CL CL B 584 mARG~B 11 -53.95 41.76 33.97 -54.73 42.37 34.12 -54.06 39.32 33.72 -53.46 38.26 33.86 -53.79 40.49 34.65 -54.71 40.39 35.86 2 0 20.13-999 ?-999 ?-999 ? CO CO B 601 mARG~B 12 -54.98 39.49 32.77 -55.42 40.38 32.75 -53.99 37.92 31.17 -53.85 36.74 30.85 -55.26 38.39 31.86 -56.30 38.80 30.81 2 0 19.19-999 ?-999 ?-999 ? CO CO B 601 mGLU~B 13 -53.06 38.85 30.93 -53.30 39.78 31.22 -50.95 37.72 31.30 -50.36 36.68 30.97 -51.79 38.49 30.29 -51.04 39.75 29.83 2 0 20.84-999 ?-999 ?-999 ? CO CO B 601 mGLN~B 14 -50.91 38.23 32.53 -51.43 39.07 32.64 -50.65 36.16 33.83 -49.85 35.24 33.99 -50.17 37.59 33.62 -50.33 38.40 34.91 2 0 19.08-999 ?-999 ?-999 ? CO CO B 601 mLEU~B 15 -51.97 35.98 33.81 -52.50 36.81 33.68 -52.15 33.75 32.83 -51.77 32.59 33.07 -52.56 34.66 33.98 -54.08 34.79 34.02 3 0 15.64-999 ?-999 ?-999 ? CO CO B 601 mILE~B 16 -52.20 34.26 31.60 -52.51 35.21 31.56 -50.38 33.00 30.50 -50.08 31.84 30.22 -51.83 33.47 30.42 -51.97 34.27 29.11 3 0 17.04-999 ?-999 ?-999 ? CO CO B 601 mALA~B 17 -49.51 33.93 30.89 -49.90 34.83 31.06 -47.94 32.42 31.93 -47.24 31.46 31.60 -48.09 33.63 31.02 -47.38 34.82 31.62 2 0 18.42-999 ?-999 ?-999 ? CO CO B 601 mGLN~B 18 -48.62 32.48 33.08 -49.15 33.31 33.20 -48.98 30.05 33.48 -48.31 29.04 33.72 -48.56 31.40 34.06 -49.44 31.74 35.26 2 0 15.15-999 ?-999 ?-999 ? CO CO B 601 mVAL~B 19 -50.07 30.03 32.72 -50.52 30.91 32.61 -49.49 28.25 31.12 -49.15 27.06 31.12 -50.54 28.78 32.11 -51.87 29.00 31.37 3 0 13.67-999 ?-999 ?-999 ? CO CO B 601 mGLU~B 20 -48.97 29.16 30.30 -49.34 30.08 30.42 -46.74 28.21 29.99 -46.26 27.16 29.59 -47.95 28.82 29.31 -47.51 30.08 28.56 2 0 17.09-999 ?-999 ?-999 ? CO CO B 601 mSER~B 21 -46.25 28.88 31.03 -46.74 29.72 31.24 -45.30 26.99 32.34 -44.37 26.19 32.36 -45.10 28.39 31.76 -44.76 29.35 32.89 2 0 17.23-999 ?-999 ?-999 ? CO CO B 601 mILE~B 22 -46.51 26.70 32.82 -47.18 27.43 32.76 -46.71 24.33 32.28 -46.19 23.23 32.47 -46.77 25.37 33.38 -48.15 25.29 34.05 3 0 14.11-999 ?-999 ?-999 ? CO CO B 601 mLEU~B 23 -47.26 24.68 31.13 -47.66 25.60 31.12 -45.87 23.53 29.48 -45.51 22.40 29.14 -47.29 23.78 29.99 -48.15 24.38 28.88 3 0 15.69-999 ?-999 ?-999 ? CO CO B 601 mALA~B 24 -45.07 24.59 29.44 -45.49 25.44 29.76 -42.85 23.48 29.76 -41.85 22.98 29.24 -43.69 24.50 28.98 -43.03 25.87 29.04 2 0 19.03-999 ?-999 ?-999 ? CO CO B 601 mSER~B 25 -43.26 23.18 30.99 -44.09 23.66 31.28 -43.03 20.79 31.57 -42.61 19.85 32.25 -42.54 22.21 31.81 -42.68 22.56 33.30 2 0 18.08-999 ?-999 ?-999 ? CO CO B 601 mALA.B 26 -43.93 20.63 30.60 -44.17 21.47 30.13 -43.40 18.30 29.98 -42.59 18.50 29.07 -44.49 19.32 30.28 -45.43 19.45 29.09 2 0 17.60-999 ?-999 ?-999 ? CO CO B 601 mALA.B 27 -43.38 17.20 30.74 -44.09 17.18 31.44 -42.69 14.95 31.46 -43.22 15.12 32.56 -42.39 16.14 30.55 -41.00 16.66 30.82 2 0 19.78-999 ?-999 ?-999 ? CO CO B 601 mASP.B 28 -42.35 13.75 31.00 -41.92 13.77 30.10 -44.06 12.20 31.94 -44.43 11.40 32.80 -42.58 12.51 31.76 -41.89 12.56 33.13 2 0 20.40-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 29 -44.90 12.83 31.13 -44.46 13.46 30.48 -47.06 13.48 32.22 -48.21 13.20 32.57 -46.33 12.61 31.20-999.99-999.99-999.99 1 0 18.03-999 ?-999 ?-999 ? CO CO B 601 mARG.B 30 -46.39 14.53 32.69 -45.48 14.65 32.30 -46.28 16.78 33.71 -45.10 16.89 33.40 -46.97 15.42 33.68 -46.88 14.77 35.07 2 0 14.88-999 ?-999 ?-999 ? CO CO B 601 mVAL.B 31 -47.04 17.82 34.06 -47.99 17.58 34.25 -46.26 19.49 35.61 -46.79 18.82 36.50 -46.50 19.17 34.15 -47.47 20.21 33.59 3 0 13.77-999 ?-999 ?-999 ? CO CO B 601 mGLN.B 32 -45.47 20.52 35.88 -45.10 20.99 35.07 -45.49 22.39 37.50 -45.51 23.20 36.58 -45.17 20.92 37.25 -43.69 20.63 37.57 2 0 13.37-999 ?-999 ?-999 ? CO CO B 601 mLYS.B 33 -45.76 22.73 38.75 -45.74 21.98 39.41 -44.88 24.71 39.84 -44.04 23.98 40.38 -46.07 24.11 39.10 -47.31 24.18 40.00 2 0 12.17-999 ?-999 ?-999 ? CO CO B 601 mTHR~B 34 -44.80 26.03 39.85 -45.52 26.50 39.34 -44.37 27.76 41.43 -45.49 28.19 41.17 -43.72 26.71 40.56 -42.73 27.40 39.60 2 0 14.89-999 ?-999 ?-999 ? CO CO B 601 mLYS~B 35 -43.65 28.16 42.47 -42.76 27.72 42.54 -44.84 30.30 42.67 -45.84 30.85 43.15 -44.14 29.16 43.41 -42.96 29.69 44.24 2 0 15.56-999 ?-999 ?-999 ? CO CO B 601 mGLU~B 36 -44.32 30.63 41.49 -43.53 30.07 41.24 -46.23 31.41 40.05 -47.03 32.33 39.85 -44.85 31.69 40.65 -43.86 31.98 39.52 2 0 16.22-999 ?-999 ?-999 ? CO CO B 601 mTHR~B 37 -46.51 30.14 39.76 -45.78 29.50 40.00 -48.57 28.73 40.03 -49.40 27.98 39.51 -47.78 29.73 39.17 -47.54 29.09 37.78 2 0 12.88-999 ?-999 ?-999 ? CO CO B 601 mGLN~B 38 -48.31 28.72 41.33 -47.63 29.40 41.61 -50.49 27.86 42.35 -51.15 26.85 42.59 -48.97 27.79 42.26 -48.38 27.98 43.67 2 0 10.61-999 ?-999 ?-999 ? CO CO B 601 mSER.B 39 -51.05 29.05 42.15 -50.40 29.78 41.94 -53.26 28.82 41.00 -54.48 29.02 40.93 -52.49 29.24 42.24 -52.81 30.69 42.57 2 0 9.03-999 ?-999 ?-999 ? CO CO B 601 mVAL.B 40 -52.58 28.24 40.01 -51.60 28.14 40.17 -54.14 26.61 39.21 -53.72 25.78 40.01 -53.29 27.81 38.81 -52.32 27.40 37.70 3 0 7.84-999 ?-999 ?-999 ? CO CO B 601 mASP^B 41 -55.34 26.53 38.65 -55.54 27.26 37.99 -56.26 24.24 38.06 -56.74 24.30 36.93 -56.27 25.46 38.98 -57.69 26.03 39.04 2 0 -4.56-999 ?-999 ?-999 ? CO CO B 601s mPHE^B 42 -55.72 23.13 38.55 -55.36 23.23 39.48 -56.97 21.14 37.90 -57.32 20.67 38.97 -55.66 21.89 37.78 -54.54 20.97 38.27 3 0 -4.28-999 ?-999 ?-999 ? CO CO B 601s mLYS^B 43 -57.71 21.02 36.80 -57.34 21.45 35.98 -59.07 19.19 35.81 -58.79 19.40 34.62 -58.96 20.29 36.86 -60.13 21.26 36.75 2 0 5.05-999 ?-999 ?-999 ? CO CO B 601 mGLU.B 44 -59.47 18.01 36.28 -59.64 18.00 37.26 -61.09 16.63 35.06 -61.95 16.55 35.94 -59.62 16.85 35.43 -59.08 15.61 36.15 2 0 8.14-999 ?-999 ?-999 ? CO CO B 601 mGLU.B 45 -61.38 16.54 33.76 -60.59 16.63 33.15 -63.36 15.19 34.07 -62.82 14.08 34.08 -62.75 16.34 33.29 -62.78 16.02 31.78 2 0 11.11-999 ?-999 ?-999 ? CO CO B 601 mALA.B 46 -64.47 15.47 34.73 -64.80 16.41 34.62 -66.00 13.50 34.70 -66.37 13.81 33.56 -65.14 14.46 35.53 -66.00 15.15 36.58 2 0 12.07-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 47 -66.29 12.34 35.28 -65.90 12.22 36.19 -66.42 10.45 33.61 -67.06 9.97 32.67 -67.12 11.33 34.63-999.99-999.99-999.99 1 0 15.72-999 ?-999 ?-999 ? CO CO B 601 mARG.B 48 -65.12 10.22 33.81 -64.76 10.65 34.64 -63.43 8.40 33.61 -62.67 7.67 32.97 -64.31 9.42 32.90 -63.44 10.34 32.04 2 0 16.54-999 ?-999 ?-999 ? CO CO B 601 mARG^B 49 -63.53 8.35 34.93 -64.18 9.01 35.31 -63.48 6.08 35.90 -64.50 5.99 36.60 -62.75 7.42 35.74 -62.46 8.04 37.10 2 0 16.41-999 ?-999 ?-999 ? CO CO B 601 mASN^B 50 -62.94 5.05 35.26 -62.11 5.30 34.75 -62.55 2.79 36.12 -62.26 1.65 35.75 -63.49 3.70 35.29 -63.61 3.17 33.85 2 0 20.12-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 51 -62.10 3.32 37.24 -62.42 4.24 37.45 -59.75 2.82 37.69 -59.25 3.95 37.78 -61.20 2.58 38.09-999.99-999.99-999.99 1 0 19.99-999 ?-999 ?-999 ? CO CO B 601 mPRO.B 52 -59.05 1.77 37.22 -59.58 0.93 37.17 -57.44 2.64 35.50 -56.51 3.45 35.39 -57.64 1.85 36.80 -57.26 0.39 36.65 3 0 20.66-999 ?-999 ?-999 ? CO CO B 601 mGLN^B 53 -58.31 2.40 34.52 -59.00 1.72 34.78 -59.34 4.14 33.06 -60.38 4.09 33.72 -58.28 3.04 33.20 -58.49 1.99 32.10 2 0 20.67-999 ?-999 ?-999 ? CO CO B 601 mILE^B 54 -59.08 5.11 32.20 -58.21 5.02 31.72 -60.63 6.20 30.58 -59.98 5.84 29.61 -60.02 6.22 31.98 -59.33 7.57 32.22 3 0 18.54-999 ?-999 ?-999 ? CO CO B 601 mGLU.B 55 -61.90 6.61 30.49 -62.32 6.90 31.35 -62.14 7.76 28.30 -61.54 8.73 28.75 -62.58 6.62 29.21 -64.10 6.70 29.40 2 0 20.23-999 ?-999 ?-999 ? CO CO B 601 mPRO.B 56 -62.44 7.64 27.00 -62.92 6.80 26.76 -62.95 9.88 26.15 -64.14 9.77 26.48 -62.08 8.66 26.01 -62.28 7.93 24.68 3 0 20.86-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 57 -62.36 11.04 25.92 -61.40 10.98 25.66 -64.09 12.57 24.95 -63.76 12.58 23.76 -63.08 12.29 26.05-999.99-999.99-999.99 1 0 18.97-999 ?-999 ?-999 ? CO CO B 601 mLYS.B 58 -65.33 12.80 25.37 -65.46 12.75 26.36 -66.36 14.61 24.25 -65.79 15.33 25.07 -66.38 13.10 24.42 -67.74 12.66 24.98 2 0 21.05-999 ?-999 ?-999 ? CO CO B 601 mPRO.B 59 -66.96 15.11 23.16 -67.35 14.42 22.55 -68.02 17.28 23.77 -67.88 18.47 24.03 -67.01 16.55 22.88 -67.39 16.60 21.40 3 0 21.45-999 ?-999 ?-999 ? CO CO B 601 mGLU.B 60 -69.04 16.55 24.23 -69.01 15.59 23.93 -70.31 16.21 26.32 -70.55 15.00 26.22 -70.09 17.08 25.09 -71.41 17.18 24.33 2 0 21.06-999 ?-999 ?-999 ? CO CO B 601 mASN~B 61 -70.24 16.83 27.49 -70.06 17.82 27.43 -71.09 17.02 29.80 -70.41 17.73 30.54 -70.43 16.12 28.75 -69.08 15.63 29.26 2 0 18.86-999 ?-999 ?-999 ? CO CO B 601 mPRO~B 62 -72.42 16.98 29.89 -72.88 16.34 29.27 -72.59 17.66 32.28 -72.50 18.64 33.02 -73.13 17.82 30.86 -74.57 17.37 30.71 3 0 19.10-999 ?-999 ?-999 ? CO CO B 601 mGLU~B 63 -72.21 16.45 32.66 -72.31 15.73 31.98 -70.48 17.13 34.30 -70.46 17.86 35.29 -71.70 16.25 34.01 -71.32 14.78 34.23 2 0 16.78-999 ?-999 ?-999 ? CO CO B 601 mALA~B 64 -69.48 17.04 33.44 -69.63 16.40 32.68 -68.59 19.31 33.56 -67.94 20.13 34.21 -68.26 17.82 33.61 -67.25 17.47 32.54 2 0 13.73-999 ?-999 ?-999 ? CO CO B 601 mALA~B 65 -69.60 19.66 32.77 -70.06 18.91 32.29 -70.39 21.57 34.03 -70.18 22.73 34.36 -69.99 21.06 32.65 -71.13 21.20 31.67 2 0 15.07-999 ?-999 ?-999 ? CO CO B 601 mASP~B 66 -70.98 20.69 34.83 -71.10 19.77 34.44 -70.20 21.32 37.06 -69.99 22.44 37.51 -71.41 21.07 36.17 -72.30 19.99 36.77 2 0 14.63-999 ?-999 ?-999 ? CO CO B 601 mLYS~B 67 -69.40 20.28 37.30 -69.68 19.42 36.87 -67.39 21.67 37.73 -66.99 22.45 38.59 -68.20 20.43 38.13 -67.31 19.19 38.03 2 0 11.03-999 ?-999 ?-999 ? CO CO B 601 mLEU~B 68 -67.16 21.84 36.43 -67.54 21.12 35.84 -67.12 24.31 36.23 -66.49 25.28 36.65 -66.40 22.99 35.94 -66.14 22.88 34.43 3 0 10.27-999 ?-999 ?-999 ? CO CO B 601 mALA~B 69 -68.43 24.33 36.01 -68.80 23.48 35.65 -69.03 25.94 37.71 -68.72 27.10 38.01 -69.23 25.53 36.26 -70.70 25.24 36.00 2 0 13.05-999 ?-999 ?-999 ? CO CO B 601 mASP~B 70 -69.20 24.98 38.61 -69.46 24.10 38.22 -67.62 25.72 40.32 -67.44 26.66 41.10 -69.02 25.21 40.04 -69.24 23.91 40.81 2 0 11.76-999 ?-999 ?-999 ? CO CO B 601 mGLU~B 71 -66.61 25.12 39.69 -66.88 24.38 39.08 -65.04 26.95 39.40 -64.41 27.77 40.06 -65.25 25.54 39.93 -64.26 24.58 39.26 2 0 8.39-999 ?-999 ?-999 ? CO CO B 601 mVAL~B 72 -65.58 27.25 38.23 -66.09 26.50 37.79 -65.99 29.65 38.59 -65.40 30.72 38.76 -65.42 28.59 37.65 -66.10 28.71 36.27 3 0 10.78-999 ?-999 ?-999 ? CO CO B 601 mALA~B 73 -67.14 29.36 39.19 -67.55 28.48 38.95 -66.72 30.51 41.29 -66.50 31.64 41.69 -67.71 30.31 40.13 -69.04 29.82 40.63 2 0 13.01-999 ?-999 ?-999 ? CO CO B 601 mCSS~B 74 -66.11 29.44 41.82 -66.38 28.56 41.42 -64.17 30.71 42.54 -64.01 31.70 43.24 -65.14 29.63 42.90 -64.28 28.39 43.15 2 0 10.69-999 ?-999 ?-999 ? CO CO B 601 mMETB 75 -63.50 30.49 41.41 -63.75 29.65 40.93 -63.04 32.78 40.83 -62.54 33.69 41.47 -62.50 31.39 40.94 -61.98 30.96 39.58 2 0 10.53-999 ?-999 ?-999 ? CO CO B 601 mALA~B 76 -64.07 32.94 40.01 -64.37 32.09 39.56 -65.01 34.93 41.13 -64.95 36.16 41.22 -64.69 34.23 39.80 -65.95 34.06 38.99 2 0 14.15-999 ?-999 ?-999 ? CO CO B 601 mASN~B 77 -65.34 34.14 42.15 -65.33 33.16 41.93 -64.49 35.16 44.27 -64.63 36.01 45.14 -65.68 34.68 43.46 -66.44 33.65 44.29 2 0 15.07-999 ?-999 ?-999 ? CO CO B 601 mTHR~B 78 -63.31 34.60 44.03 -63.29 33.89 43.33 -61.52 36.24 44.08 -61.22 36.17 42.90 -62.15 35.05 44.79 -61.09 33.95 44.93 2 0 14.17-999 ?-999 ?-999 ? CO CO B 601 mPRO.B 79 -61.30 37.35 44.81 -61.57 37.30 45.77 -59.53 38.21 43.24 -58.69 37.35 43.52 -60.70 38.52 44.17 -60.28 39.39 45.36 3 0 15.75-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 80 -59.49 38.92 42.11 -60.22 39.59 42.01 -58.67 37.52 40.23 -57.88 37.27 39.31 -58.44 38.72 41.13-999.99-999.99-999.99 1 0 16.76-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 81 -59.74 36.78 40.47 -60.32 37.09 41.23 -58.79 34.74 39.57 -57.89 34.83 40.41 -60.02 35.61 39.66-999.99-999.99-999.99 1 0 13.93-999 ?-999 ?-999 ? CO CO B 601 mGLY^B 82 -58.74 33.89 38.55 -59.54 33.93 37.94 -57.77 32.23 37.06 -58.66 32.55 36.26 -57.61 33.00 38.35-999.99-999.99-999.99 1 0 11.46-999 ?-999 ?-999 ? CO CO B 601 mALA^B 83 -56.94 31.22 36.83 -56.26 31.07 37.55 -57.15 28.93 35.90 -56.66 28.43 36.92 -57.03 30.42 35.61 -55.83 30.68 34.74 2 0 10.31-999 ?-999 ?-999 ? CO CO B 601 mLEU^B 84 -57.83 28.23 35.01 -58.19 28.76 34.24 -57.44 26.06 33.97 -57.33 26.60 32.87 -58.01 26.80 35.15 -59.49 26.44 35.26 3 0 7.95-999 ?-999 ?-999 ? CO CO B 601 mILE^B 85 -57.05 24.82 34.20 -57.14 24.51 35.15 -57.25 22.69 33.23 -57.00 21.90 34.14 -56.53 24.02 33.13 -55.02 23.83 33.24 3 0 8.69-999 ?-999 ?-999 ? CO CO B 601 mVAL^B 86 -58.18 22.48 32.31 -58.30 23.22 31.64 -58.18 20.22 31.51 -57.77 20.48 30.38 -58.94 21.25 32.29 -60.26 21.43 31.60 3 0 9.29-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 87 -57.98 19.05 32.11 -58.36 18.97 33.03 -56.02 17.57 32.17 -55.28 16.71 31.70 -57.26 18.00 31.42-999.99-999.99-999.99 1 0 10.83-999 ?-999 ?-999 ? CO CO B 601 mILE.B 88 -55.81 18.19 33.33 -56.51 18.86 33.56 -55.16 17.37 35.53 -56.06 17.94 36.13 -54.66 17.91 34.19 -53.80 19.20 34.45 3 0 8.92-999 ?-999 ?-999 ? CO CO B 601 mGLU.B 89 -54.57 16.27 35.99 -53.86 15.90 35.39 -54.52 16.60 38.38 -53.46 17.21 38.30 -54.96 15.67 37.26 -54.31 14.30 37.42 2 0 8.11-999 ?-999 ?-999 ? CO CO B 601 mASP.B 90 -55.34 16.71 39.42 -56.17 16.15 39.35 -53.92 17.05 41.46 -53.81 15.84 41.70 -55.04 17.58 40.56 -56.32 17.78 41.39 2 0 -5.28-999 ?-999 ?-999 ? CO CO B 601s mLYS.B 91 -53.09 17.96 41.96 -53.29 18.89 41.67 -50.81 16.84 42.21 -49.65 17.04 42.58 -51.98 17.62 42.85 -52.52 16.86 44.07 2 0 7.41-999 ?-999 ?-999 ? CO CO B 601 mTHR.B 92 -51.11 15.97 41.25 -52.09 15.88 41.05 -49.54 16.00 39.38 -48.33 16.13 39.18 -50.06 15.20 40.57 -50.58 13.85 40.06 2 0 10.33-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 93 -50.46 16.53 38.58 -51.41 16.35 38.84 -49.89 16.48 36.19 -49.40 16.97 35.17 -50.06 17.32 37.44-999.99-999.99-999.99 1 0 9.91-999 ?-999 ?-999 ? CO CO B 601 mARG.B 94 -50.29 15.22 36.27 -50.66 14.94 37.16 -51.24 14.71 34.10 -52.38 15.03 34.45 -50.19 14.34 35.12 -50.32 12.88 35.55 2 0 12.53-999 ?-999 ?-999 ? CO CO B 601 mILE.B 95 -50.86 14.69 32.82 -49.90 14.43 32.69 -52.77 13.92 31.44 -52.39 12.76 31.30 -51.76 15.03 31.73 -50.99 15.32 30.44 3 0 13.41-999 ?-999 ?-999 ? CO CO B 601 mILE.B 96 -54.04 14.30 31.33 -54.18 15.28 31.48 -55.77 13.71 29.68 -55.96 12.83 28.83 -55.15 13.38 31.04 -56.27 13.48 32.09 3 0 13.79-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 97 -56.11 14.99 29.50 -55.94 15.59 30.28 -58.18 15.73 28.27 -58.90 15.24 29.14 -56.69 15.44 28.24-999.99-999.99-999.99 1 0 14.81-999 ?-999 ?-999 ? CO CO B 601 mTHR.B 98 -58.63 16.54 27.32 -57.93 16.87 26.69 -60.47 17.10 25.77 -59.78 17.76 24.99 -60.05 16.91 27.21 -60.38 18.23 27.88 2 0 15.31-999 ?-999 ?-999 ? CO CO B 601 mGLU.B 99 -61.63 16.56 25.42 -62.10 16.06 26.14 -63.34 17.62 24.03 -63.91 17.85 22.97 -62.13 16.70 24.07 -62.48 15.34 23.48 2 0 18.70-999 ?-999 ?-999 ? CO CO B 601 mLEU.B 100 -63.73 18.15 25.19 -63.17 17.89 25.98 -64.74 20.14 24.22 -63.62 20.57 23.90 -64.88 19.04 25.25 -65.01 19.67 26.65 3 0 17.94-999 ?-999 ?-999 ? CO CO B 601 mASP~B 101 -65.87 20.59 23.71 -66.68 20.14 24.08 -66.00 23.02 23.36 -66.85 23.26 24.23 -65.93 21.65 22.70 -67.15 21.43 21.80 2 0 20.46-999 ?-999 ?-999 ? CO CO B 601 mILE~B 102 -65.12 23.92 22.95 -64.49 23.58 22.25 -66.47 25.90 23.54 -67.09 25.97 24.60 -65.08 25.27 23.48 -64.19 26.18 22.62 3 0 19.69-999 ?-999 ?-999 ? CO CO B 601 mASP~B 103 -66.96 26.35 22.39 -66.35 26.22 21.61 -69.34 26.30 23.13 -70.15 26.98 23.76 -68.27 26.99 22.30 -68.71 27.06 20.83 2 0 22.41-999 ?-999 ?-999 ? CO CO B 601 mTRP~B 104 -69.35 24.98 23.15 -68.64 24.54 22.60 -70.18 24.45 25.42 -71.13 24.80 26.13 -70.36 24.26 23.92 -70.29 22.77 23.67 3 0 21.70-999 ?-999 ?-999 ? CO CO B 601 mLEU~B 105 -68.97 24.17 25.88 -68.32 23.87 25.19 -68.92 25.70 27.77 -69.45 25.90 28.86 -68.65 24.29 27.29 -67.18 23.92 27.50 3 0 18.01-999 ?-999 ?-999 ? CO CO B 601 mARG~B 106 -68.57 26.68 26.94 -68.15 26.37 26.09 -70.28 28.33 27.55 -70.65 28.76 28.64 -68.79 28.09 27.27 -68.35 29.00 26.11 2 0 18.97-999 ?-999 ?-999 ? CO CO B 601 mGLN~B 107 -71.11 28.05 26.56 -70.68 27.71 25.72 -73.00 27.42 27.91 -73.65 27.95 28.82 -72.55 28.22 26.71 -73.28 27.75 25.46 2 0 21.78-999 ?-999 ?-999 ? CO CO B 601 mGLY~B 108 -72.65 26.13 27.91 -72.14 25.84 27.10 -72.77 25.87 30.37 -73.68 25.89 31.21 -73.01 25.25 29.00-999.99-999.99-999.99 1 0 19.94-999 ?-999 ?-999 ? CO CO B 601 mILE~B 109 -71.56 26.39 30.61 -70.92 26.32 29.85 -72.11 28.26 32.08 -72.81 28.42 33.08 -71.25 27.01 31.90 -69.76 27.40 32.02 3 0 17.26-999 ?-999 ?-999 ? CO CO B 601 mPHE~B 110 -72.07 29.13 31.08 -71.46 28.85 30.34 -74.31 30.15 31.47 -74.86 30.91 32.26 -72.84 30.37 31.07 -72.78 31.00 29.68 3 0 20.11-999 ?-999 ?-999 ? CO CO B 601 mTHR~B 111 -74.93 29.13 30.91 -74.39 28.57 30.28 -76.48 28.56 32.71 -77.43 29.01 33.34 -76.32 28.87 31.23 -76.89 27.67 30.44 2 0 22.25-999 ?-999 ?-999 ? CO CO B 601 mARG~B 112 -75.55 27.81 33.27 -74.80 27.52 32.67 -74.84 28.27 35.64 -74.47 27.77 36.70 -75.68 27.46 34.67 -75.38 25.97 34.88 2 0 19.89-999 ?-999 ?-999 ? CO CO B 601 mILE.B 113 -74.54 29.51 35.33 -74.90 29.86 34.46 -73.74 31.75 35.93 -73.33 32.58 36.72 -73.73 30.26 36.28 -72.29 29.67 36.29 3 0 18.69-999 ?-999 ?-999 ? CO CO B 601 mASP.B 114 -74.24 32.06 34.74 -74.54 31.27 34.20 -72.99 34.10 34.02 -72.82 35.29 34.25 -74.35 33.44 34.27 -75.14 34.28 35.28 2 0 17.04-999 ?-999 ?-999 ? CL CL B 584 mVAL.B 115 -72.04 33.32 33.53 -72.30 32.36 33.40 -70.02 32.93 32.22 -69.96 31.71 32.40 -70.71 33.84 33.23 -69.85 33.97 34.53 3 0 17.21-999 ?-999 ?-999 ? CL CL B 584 mALA.B 116 -69.53 33.51 31.13 -69.67 34.50 31.09 -67.37 33.13 30.07 -66.95 34.08 29.41 -68.85 32.76 30.08 -69.47 33.05 28.73 2 0 19.18-999 ?-999 ?-999 ? CO CO B 601 mPRO.B 117 -66.56 32.37 30.81 -67.03 31.63 31.30 -64.41 32.26 29.61 -64.77 31.30 28.93 -65.12 32.59 30.91 -64.71 31.67 32.04 3 0 16.67-999 ?-999 ?-999 ? CO CO B 601 mASP^B 118 -63.40 33.05 29.25 -63.22 33.81 29.89 -61.88 31.51 28.19 -61.13 31.33 29.15 -62.65 32.82 28.03 -61.68 33.98 27.79 2 0 17.93-999 ?-999 ?-999 ? CO CO B 601 mVAL^B 119 -62.08 30.59 27.26 -62.72 30.85 26.54 -60.65 29.04 26.02 -61.23 29.15 24.94 -61.38 29.31 27.32 -62.36 28.14 27.60 3 0 16.34-999 ?-999 ?-999 ? CO CO B 601 mVAL^B 120 -59.37 28.69 26.11 -59.01 28.65 27.04 -58.00 26.99 24.94 -57.66 26.46 26.00 -58.59 28.40 24.91 -57.44 29.41 24.71 3 0 17.79-999 ?-999 ?-999 ? CO CO B 601 mALA^B 121 -57.88 26.38 23.76 -58.21 26.92 22.98 -55.80 25.14 23.53 -55.26 26.06 22.91 -57.32 25.05 23.65 -57.91 24.33 22.45 2 0 18.09-999 ?-999 ?-999 ? CO CO B 601 mLYS^B 122 -55.12 24.19 24.16 -55.70 23.52 24.62 -53.25 22.66 24.10 -54.04 21.77 24.42 -53.67 24.13 24.16 -53.12 24.76 25.44 2 0 17.93-999 ?-999 ?-999 ? CO CO B 601 mARG^B 123 -52.01 22.42 23.68 -51.47 23.23 23.45 -50.18 20.84 24.32 -49.20 21.52 24.02 -51.51 21.05 23.60 -51.40 20.62 22.13 2 0 18.98-999 ?-999 ?-999 ? CO CO B 601 mVAL.B 124 -50.18 19.92 25.28 -51.06 19.47 25.42 -48.16 18.52 25.36 -47.60 18.75 24.29 -48.97 19.62 26.04 -49.30 19.17 27.48 3 0 17.94-999 ?-999 ?-999 ? CO CO B 601 mLEU.B 125 -48.08 17.34 25.96 -48.56 17.26 26.84 -48.19 15.60 24.27 -48.24 14.37 24.17 -47.32 16.27 25.33 -46.84 15.23 26.34 3 0 20.09-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 126 -48.86 16.43 23.48 -48.73 17.40 23.67 -51.17 15.88 22.84 -52.07 15.74 22.02 -49.72 15.94 22.41-999.99-999.99-999.99 1 0 21.58-999 ?-999 ?-999 ? CO CO B 601 mGLN.B 127 -51.38 15.99 24.15 -50.55 16.11 24.69 -53.40 17.32 24.65 -52.73 18.35 24.65 -52.71 15.95 24.72 -52.61 15.47 26.17 2 0 18.52-999 ?-999 ?-999 ? CO CO B 601 mARG^B 128 -54.72 17.32 24.56 -55.13 16.40 24.56 -56.00 18.97 25.85 -56.60 18.17 26.56 -55.49 18.56 24.47 -56.67 18.36 23.50 2 0 17.51-999 ?-999 ?-999 ? CO CO B 601 mVAL^B 129 -55.73 20.21 26.23 -55.21 20.75 25.56 -56.79 22.10 27.35 -56.29 22.90 26.56 -56.18 20.71 27.52 -55.02 20.78 28.54 3 0 14.11-999 ?-999 ?-999 ? CO CO B 601 mLEU^B 130 -57.88 22.40 28.07 -58.21 21.66 28.66 -58.08 24.65 29.06 -58.22 24.34 30.24 -58.51 23.71 27.95 -60.04 23.62 28.00 3 0 13.65-999 ?-999 ?-999 ? CO CO B 601 mALA^B 131 -57.54 25.80 28.68 -57.46 25.92 27.69 -58.29 27.74 29.85 -58.57 28.57 28.98 -57.13 26.79 29.66 -55.91 27.55 29.17 2 0 12.78-999 ?-999 ?-999 ? CO CO B 601 mILE^B 132 -58.99 27.63 30.97 -58.70 26.92 31.60 -59.64 29.71 32.02 -59.08 29.55 33.10 -60.11 28.53 31.21 -61.22 27.82 31.94 3 0 12.40-999 ?-999 ?-999 ? CO CO B 601 mTYR^B 133 -59.86 30.91 31.50 -60.32 30.89 30.61 -60.70 32.83 32.67 -61.60 33.14 31.88 -59.46 32.12 32.18 -58.71 33.04 31.22 3 0 13.86-999 ?-999 ?-999 ? CO CO B 601 mVAL^B 134 -60.75 33.11 33.96 -59.96 32.83 34.49 -61.51 35.02 35.32 -60.55 35.00 36.08 -61.91 33.78 34.52 -62.72 32.80 35.40 3 0 14.30-999 ?-999 ?-999 ? CO CO B 601 mALA.B 135 -62.25 36.12 35.12 -62.99 36.01 34.46 -62.84 37.47 37.07 -63.91 36.85 37.13 -61.96 37.36 35.83 -62.19 38.55 34.92 2 0 16.65-999 ?-999 ?-999 ? CL CL B 584 mALA.B 136 -62.39 38.25 38.05 -61.51 38.68 37.85 -64.50 39.06 39.00 -64.59 40.07 38.30 -63.13 38.46 39.30 -62.34 39.38 40.21 2 0 14.13-999 ?-999 ?-999 ? CL CL B 584 mALA.B 137 -65.56 38.46 39.53 -65.35 37.66 40.10 -67.20 40.24 40.03 -66.68 40.46 41.12 -66.90 38.96 39.27 -67.93 37.90 39.62 2 0 11.49-999 ?-999 ?-999 ? CL CL B 584 mALA.B 138 -68.05 41.08 39.46 -68.41 40.77 38.57 -69.39 42.12 41.24 -69.81 43.08 41.90 -68.42 42.35 40.08 -69.04 43.28 39.05 2 0 7.74-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 139 -69.75 40.87 41.49 -69.34 40.19 40.87 -70.59 39.03 42.76 -70.18 38.31 41.85 -70.65 40.53 42.56 -72.07 40.93 42.21 2 0 8.27-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 140 -71.01 38.53 43.93 -71.34 39.19 44.60 -71.65 36.26 43.07 -72.77 36.59 42.65 -70.94 37.08 44.13 -71.53 36.90 45.53 3 0 11.78-999 ?-999 ?-999 ? CL CL B 584 mILE.B 141 -70.99 35.20 42.61 -70.09 35.09 43.04 -71.94 32.99 42.23 -71.09 32.21 42.65 -71.52 34.30 41.59 -70.45 33.99 40.49 3 0 14.28-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 142 -73.24 32.74 42.31 -73.84 33.45 41.95 -73.54 30.38 41.89 -73.78 30.58 40.70 -73.69 31.50 42.90 -75.13 31.62 43.37 2 0 17.09-999 ?-999 ?-999 ? CL CL B 584 mASP.B 143 -73.14 29.22 42.39 -73.00 29.24 43.38 -74.19 27.20 41.35 -75.29 27.67 41.60 -72.92 28.04 41.58 -71.82 27.19 42.23 2 0 16.28-999 ?-999 ?-999 ? CO CO B 601 mTHR.B 144 -74.03 25.97 40.87 -73.08 25.70 40.72 -75.86 24.58 41.85 -76.73 23.71 41.76 -75.18 25.11 40.60 -74.79 23.90 39.80 2 0 17.67-999 ?-999 ?-999 ? CO CO B 601 mSER.B 145 -75.46 25.08 43.01 -74.74 25.77 42.93 -76.39 25.88 45.08 -76.49 25.80 46.30 -76.04 24.66 44.27 -75.04 23.80 45.07 2 0 18.64-999 ?-999 ?-999 ? CO CO B 601 mASP.B 146 -76.55 27.02 44.42 -76.44 26.95 43.43 -75.94 28.52 46.30 -76.34 29.13 47.29 -76.88 28.25 45.12 -78.33 28.21 45.63 2 0 20.40-999 ?-999 ?-999 ? CO CO B 601 mARG.B 147 -74.69 28.06 46.19 -74.50 27.57 45.34 -72.56 29.10 46.72 -72.02 28.81 45.65 -73.72 28.29 47.26 -73.22 26.96 47.80 2 0 18.06-999 ?-999 ?-999 ? CO CO B 601 mLEU.B 148 -72.18 30.14 47.45 -72.68 30.28 48.30 -69.83 30.73 47.82 -69.84 30.89 49.05 -71.08 30.97 46.99 -71.49 32.44 46.99 3 0 16.95-999 ?-999 ?-999 ? CO CO B 601 mARG^B 149 -68.78 30.31 47.13 -68.94 30.23 46.15 -66.37 30.52 46.86 -66.57 30.83 45.70 -67.49 30.01 47.74 -67.35 28.50 47.94 2 0 14.05-999 ?-999 ?-999 ? CO CO B 601 mTRP^B 150 -65.17 30.60 47.42 -65.11 30.31 48.38 -62.80 30.27 46.89 -62.73 29.54 47.87 -64.05 31.10 46.65 -63.80 32.57 46.99 3 0 12.20-999 ?-999 ?-999 ? CO CO B 601 mARG^B 151 -61.82 30.39 46.00 -62.02 31.03 45.25 -59.72 30.01 47.34 -59.66 31.17 47.75 -60.57 29.64 46.13 -59.72 29.80 44.85 2 0 9.37-999 ?-999 ?-999 ? CO CO B 601 mVAL.B 152 -59.10 29.01 47.95 -59.30 28.10 47.58 -56.94 28.44 48.78 -55.97 28.93 48.19 -58.19 29.27 49.06 -58.80 28.89 50.44 3 0 10.53-999 ?-999 ?-999 ? CO CO B 601 mGLY.B 153 -56.94 27.17 49.18 -57.77 26.85 49.64 -55.80 25.93 47.45 -55.72 26.73 46.52 -55.77 26.37 48.90-999.99-999.99-999.99 1 0 8.86-999 ?-999 ?-999 ? CO CO B 601 mASP.B 154 -55.90 24.62 47.28 -55.89 24.08 48.12 -57.48 23.78 45.85 -58.02 23.53 44.78 -56.00 24.04 45.95 -55.24 22.73 45.87 2 0 -5.25-999 ?-999 ?-999 ? CO CO B 601s mSER.B 155 -58.13 23.84 47.00 -57.56 24.05 47.80 -60.23 24.89 47.51 -59.60 25.76 48.11 -59.56 23.60 47.07 -59.83 22.49 48.07 2 0 6.08-999 ?-999 ?-999 ? CO CO B 601 mCSS^B 156 -61.51 25.04 47.17 -61.91 24.28 46.65 -63.31 26.02 48.59 -64.07 25.06 48.53 -62.22 26.24 47.56 -62.76 26.99 46.33 2 0 8.63-999 ?-999 ?-999 ? CO CO B 601 mARG^B 157 -63.34 26.96 49.53 -62.67 27.68 49.39 -65.37 27.99 50.53 -65.26 28.95 49.77 -64.26 26.95 50.65 -63.44 27.22 51.92 2 0 12.26-999 ?-999 ?-999 ? CO CO B 601 mPRO^B 158 -66.47 27.81 51.29 -66.43 26.99 51.86 -67.42 30.00 52.08 -66.75 29.99 53.12 -67.63 28.72 51.29 -68.72 27.87 51.92 3 0 15.43-999 ?-999 ?-999 ? CO CO B 601 mVAL.B 159 -68.00 31.11 51.61 -68.49 30.97 50.75 -69.21 33.12 52.40 -70.11 32.90 51.58 -67.90 32.40 52.31 -66.95 33.37 51.64 3 0 18.10-999 ?-999 ?-999 ? CO CO B 601 mASP~B 160 -69.32 33.99 53.40 -68.51 34.06 53.98 -70.43 36.14 52.94 -69.35 36.73 52.88 -70.54 34.76 53.60 -70.87 34.86 55.11 2 0 18.14-999 ?-999 ?-999 ? CL CL B 584 mARG~B 161 -71.55 36.63 52.42 -72.36 36.05 52.52 -70.89 39.02 52.59 -70.29 39.96 52.05 -71.56 37.94 51.76 -72.98 38.37 51.39 2 0 14.46-999 ?-999 ?-999 ? CL CL B 584 mALA~B 162 -70.98 38.88 53.91 -71.47 38.07 54.21 -68.90 40.02 54.55 -68.41 41.14 54.38 -70.38 39.86 54.82 -70.59 39.43 56.24 2 0 15.65-999 ?-999 ?-999 ? CL CL B 584 mGLU~B 163 -68.19 38.89 54.49 -68.73 38.05 54.62 -66.48 39.08 52.76 -65.55 39.79 52.39 -66.76 38.89 54.24 -66.11 37.58 54.71 2 0 16.67-999 ?-999 ?-999 ? CL CL B 584 mTRP~B 164 -67.29 38.47 51.91 -68.04 37.95 52.32 -66.98 40.06 50.00 -66.05 40.43 49.29 -67.05 38.61 50.49 -68.10 37.86 49.68 3 0 14.22-999 ?-999 ?-999 ? CL CL B 584 mTRP~B 165 -67.98 40.85 50.39 -68.66 40.41 50.97 -66.96 43.13 50.55 -66.30 43.84 49.80 -68.05 42.25 49.99 -69.41 42.85 50.35 3 0 11.17-999 ?-999 ?-999 ? CL CL B 584 mGLU~B 166 -66.74 43.09 51.86 -67.32 42.46 52.38 -64.35 43.62 51.81 -63.43 44.43 51.88 -65.69 43.94 52.45 -65.61 43.75 53.97 2 0 13.38-999 ?-999 ?-999 ? CL CL B 584 mTYR~B 167 -64.27 42.44 51.20 -65.10 41.90 51.25 -63.06 42.52 49.09 -62.03 43.00 48.60 -63.06 42.00 50.52 -62.95 40.47 50.54 3 0 14.41-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 168 -64.21 42.44 48.42 -64.97 42.03 48.91 -64.10 44.46 47.13 -63.40 45.06 46.30 -64.28 42.95 47.05 -65.62 42.58 46.40 2 0 11.27-999 ?-999 ?-999 ? CL CL B 584 mARG~B 169 -64.71 45.08 48.13 -65.22 44.48 48.74 -63.14 46.94 48.41 -62.76 47.99 47.88 -64.60 46.52 48.30 -65.33 46.97 49.56 2 0 10.43-999 ?-999 ?-999 ? CL CL B 584 mALA~B 170 -62.35 46.13 49.10 -62.79 45.31 49.45 -60.01 46.14 48.15 -59.19 46.99 47.78 -60.94 46.44 49.31 -60.45 45.73 50.57 2 0 13.97-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 171 -60.11 44.96 47.56 -60.82 44.36 47.92 -59.83 44.24 45.13 -59.41 43.28 44.49 -59.20 44.62 46.46 -58.24 43.51 46.92 2 0 14.71-999 ?-999 ?-999 ? CL CL B 584 mSER~B 172 -60.83 45.01 44.70 -61.07 45.75 45.32 -61.94 46.07 42.80 -61.74 47.14 43.37 -61.48 44.76 43.42 -62.69 43.83 43.57 2 0 11.88-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 173 -62.56 45.96 41.63 -62.65 45.02 41.29 -64.12 47.86 41.72 -64.98 47.24 42.35 -63.06 47.12 40.92-999.99-999.99-999.99 1 0 9.75-999 ?-999 ?-999 ? CL CL B 584 mPHE.B 174 -64.07 49.18 41.68 -63.33 49.56 41.12 -66.46 49.75 41.96 -66.77 49.84 40.76 -65.03 49.99 42.41 -64.69 51.48 42.28 3 0 7.78-999 ?-999 ?-999 ? CL CL B 584 mASP~B 175 -67.31 49.42 42.92 -66.88 49.32 43.82 -69.39 50.32 43.48 -69.42 50.29 44.71 -68.74 49.21 42.69 -69.22 47.86 43.22 2 0 4.03-999 ?-999 ?-999 ? CL CL B 584 mPRO~B 176 -69.93 51.32 42.78 -69.85 51.22 41.79 -71.58 52.10 44.52 -71.56 52.68 45.61 -70.57 52.46 43.44 -71.17 53.23 42.27 3 0 4.68-999 ?-999 ?-999 ? CL CL B 584 mMETB 177 -72.44 51.13 44.24 -72.31 50.71 43.34 -72.98 50.03 46.45 -73.61 50.09 47.51 -73.49 50.74 45.18 -74.52 49.88 44.45 2 0 -3.97-999 ?-999 ?-999 ? CL CL B 584s mALA~B 178 -71.83 49.36 46.33 -71.43 49.40 45.41 -70.42 49.57 48.34 -69.98 49.18 49.43 -71.22 48.63 47.44 -70.33 47.52 46.92 2 0 5.64-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 179 -70.23 50.80 47.89 -70.65 50.96 46.99 -70.07 51.99 50.04 -71.20 51.62 50.30 -69.50 51.83 48.63 -69.60 53.15 47.88 2 0 8.06-999 ?-999 ?-999 ? CL CL B 584 mVAL.B 180 -69.29 52.56 50.94 -68.39 52.84 50.61 -70.41 54.12 52.50 -69.99 55.10 51.88 -69.76 52.75 52.31 -68.59 52.60 53.31 3 0 11.52-999 ?-999 ?-999 ? CL CL B 584 mTHR.B 181 -71.43 54.20 53.34 -71.68 53.33 53.78 -72.00 55.82 55.05 -71.21 55.23 55.78 -72.12 55.47 53.58 -73.61 55.38 53.25 2 0 13.52-999 ?-999 ?-999 ? CL CL B 584 mTHR.B 182 -72.79 56.78 55.50 -73.39 57.21 54.83 -73.97 56.65 57.63 -74.17 56.96 58.81 -72.73 57.14 56.91 -72.60 58.66 57.12 2 0 17.22-999 ?-999 ?-999 ? CL CL B 584 mALA.B 183 -74.80 55.89 56.93 -74.50 55.71 56.00 -75.75 54.18 58.44 -75.23 53.16 58.00 -76.03 55.36 57.51 -76.98 54.94 56.40 2 0 17.29-999 ?-999 ?-999 ? CL CL B 584 mTHR~B 184 -76.12 54.29 59.71 -76.56 55.16 59.96 -77.09 52.28 60.73 -78.03 52.36 59.93 -75.88 53.19 60.63 -75.55 53.69 62.03 2 0 19.48-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 185 -77.06 51.39 61.73 -76.24 51.45 62.30 -79.45 51.11 62.35 -80.53 50.63 62.00 -78.14 50.44 61.96 -77.73 49.45 63.05 3 0 20.79-999 ?-999 ?-999 ? CL CL B 584 mGLY~B 186 -79.36 52.22 63.08 -78.43 52.51 63.30 -81.28 53.59 62.37 -82.46 53.90 62.46 -80.56 52.90 63.50-999.99-999.99-999.99 1 0 23.33-999 ?-999 ?-999 ? CL CL B 584 mASP~B 187 -80.56 53.84 61.28 -79.61 53.53 61.32 -82.04 53.55 59.33 -82.74 53.98 58.40 -81.16 54.50 60.13 -80.05 55.08 59.24 2 0 20.90-999 ?-999 ?-999 ? CL CL B 584 mALA~B 188 -82.03 52.27 59.69 -81.42 52.06 60.45 -84.29 51.34 59.51 -84.55 51.18 60.70 -82.86 51.27 59.01 -82.31 49.88 59.24 2 0 20.03-999 ?-999 ?-999 ? CL CL B 584 mARG~B 189 -85.22 51.59 58.60 -84.89 51.70 57.67 -87.13 50.28 59.30 -86.99 49.36 58.49 -86.61 51.68 58.98 -87.45 52.27 57.85 2 0 22.22-999 ?-999 ?-999 ? CL CL B 584 mPRO~B 190 -87.71 50.10 60.50 -87.75 50.92 61.07 -89.20 48.23 59.88 -89.24 47.02 59.67 -88.25 48.81 60.91 -88.95 49.14 62.22 3 0 24.52-999 ?-999 ?-999 ? CL CL B 584 mALA~B 191 -89.96 49.11 59.25 -89.81 50.06 59.51 -90.22 47.84 57.19 -90.70 46.77 56.82 -90.91 48.68 58.24 -91.57 49.90 57.60 2 0 24.45-999 ?-999 ?-999 ? CL CL B 584 mALA~B 192 -89.08 48.33 56.70 -88.81 49.21 57.10 -87.89 46.25 56.18 -88.08 45.24 55.50 -88.31 47.63 55.68 -87.09 48.46 55.30 2 0 20.82-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 193 -87.30 46.22 57.38 -87.19 47.12 57.80 -88.02 43.97 58.08 -87.86 42.78 57.85 -86.86 44.97 57.99 -86.32 45.26 59.39 3 0 21.69-999 ?-999 ?-999 ? CL CL B 584 mALA~B 194 -89.18 44.49 58.44 -89.16 45.48 58.61 -90.64 43.01 57.21 -90.90 41.80 57.15 -90.38 43.69 58.55 -91.55 44.56 58.94 2 0 23.29-999 ?-999 ?-999 ? CO CO A 601 mLEU~B 195 -90.59 43.80 56.14 -90.38 44.75 56.33 -89.76 42.27 54.46 -90.04 41.24 53.83 -90.83 43.27 54.81 -90.79 44.38 53.78 3 0 22.86-999 ?-999 ?-999 ? CL CL B 584 mALA~B 196 -88.54 42.59 54.87 -88.48 43.46 55.35 -87.62 40.34 55.22 -87.20 39.35 54.65 -87.40 41.72 54.63 -86.15 42.34 55.22 2 0 20.58-999 ?-999 ?-999 ? CL CL B 584 mARG~B 197 -88.29 40.29 56.36 -88.59 41.18 56.71 -89.73 38.30 56.39 -89.83 37.08 56.51 -88.56 39.03 57.02 -88.85 39.25 58.49 2 0 20.51-999 ?-999 ?-999 ? CO CO A 601 mLYS~B 198 -90.61 39.04 55.74 -90.40 40.02 55.71 -91.46 37.67 53.88 -91.93 36.56 53.68 -91.79 38.44 55.13 -92.85 39.50 54.77 2 0 23.08-999 ?-999 ?-999 ? CO CO A 601 mTRP~B 199 -90.63 38.25 53.03 -90.26 39.14 53.31 -89.31 36.42 51.94 -89.19 35.58 51.05 -90.31 37.57 51.79 -89.82 38.59 50.77 3 0 22.98-999 ?-999 ?-999 ? CL CL B 584 mASP~B 200 -88.62 36.39 53.07 -88.83 37.13 53.71 -87.67 35.00 54.81 -86.97 35.61 55.62 -87.65 35.34 53.33 -86.25 35.80 52.95 2 0 21.35-999 ?-999 ?-999 ? CO CO A 601 mPRO~B 201 -88.47 33.99 55.18 -88.97 33.58 54.41 -87.30 33.08 57.19 -87.21 32.92 58.41 -88.62 33.53 56.56 -89.62 32.39 56.43 3 0 18.40-999 ?-999 ?-999 ? CO CO A 601 mALA~B 202 -86.29 32.89 56.36 -86.49 33.06 55.40 -84.48 33.42 57.95 -83.94 32.99 58.97 -84.99 32.46 56.87 -83.98 32.36 55.73 2 0 16.36-999 ?-999 ?-999 ? CO CO A 601 mPHE~B 203 -84.67 34.72 57.73 -85.14 34.93 56.88 -85.03 35.78 59.95 -84.76 36.60 60.83 -84.19 35.72 58.67 -84.18 37.09 58.01 3 0 15.93-999 ?-999 ?-999 ? CO CO A 601 mALA~B 204 -86.03 34.91 60.04 -86.13 34.30 59.26 -86.14 34.74 62.54 -86.61 35.19 63.58 -86.89 34.88 61.22 -87.90 33.75 61.08 2 0 14.54-999 ?-999 ?-999 ? CO CO A 601 mGLU~B 205 -84.96 34.13 62.50 -84.66 33.85 61.59 -83.00 34.84 64.00 -82.22 34.58 64.92 -84.19 33.91 63.73 -83.70 32.46 63.78 2 0 11.03-999 ?-999 ?-999 ? CO CO A 601 mLEU~B 206 -82.86 35.90 63.23 -83.54 36.02 62.51 -82.19 38.24 63.72 -83.17 38.72 63.15 -81.74 36.81 63.47 -80.73 36.77 62.32 3 0 12.52-999 ?-999 ?-999 ? CO CO A 601 mTHR~B 207 -81.46 38.93 64.58 -80.69 38.42 64.97 -81.66 41.20 63.70 -81.03 40.85 62.70 -81.76 40.30 64.92 -80.78 40.83 65.97 2 0 14.58-999 ?-999 ?-999 ? CO CO A 601 mASP~B 208 -82.30 42.36 63.79 -82.78 42.50 64.65 -80.81 43.59 62.30 -80.53 43.83 61.12 -82.27 43.34 62.71 -82.90 44.67 63.17 2 0 18.34-999 ?-999 ?-999 ? CO CO A 601 mGLU~B 209 -79.89 43.54 63.26 -80.25 43.33 64.17 -77.86 42.65 62.15 -77.42 42.87 61.02 -78.47 43.77 62.97 -77.64 43.94 64.25 2 0 18.50-999 ?-999 ?-999 ? CO CO A 601 mGLU~B 210 -77.82 41.45 62.71 -78.22 41.37 63.62 -77.92 40.09 60.64 -77.36 39.44 59.75 -77.23 40.35 61.97 -77.18 39.09 62.83 2 0 16.32-999 ?-999 ?-999 ? CO CO A 601 mLEU~B 211 -79.13 40.61 60.49 -79.47 41.11 61.29 -79.22 41.34 58.21 -78.85 40.90 57.12 -79.87 40.44 59.25 -81.34 40.83 59.45 3 0 17.91-999 ?-999 ?-999 ? CO CO A 601 mLEU~B 212 -79.10 42.62 58.55 -79.44 42.86 59.46 -77.05 43.15 57.35 -76.57 43.33 56.23 -78.48 43.56 57.64 -78.51 44.98 58.21 3 0 17.43-999 ?-999 ?-999 ? CL CL B 584 mARG~B 213 -76.36 42.58 58.33 -76.85 42.47 59.19 -74.92 40.94 57.19 -74.04 40.85 56.34 -74.98 42.17 58.08 -74.27 41.85 59.38 2 0 17.46-999 ?-999 ?-999 ? CL CL B 584 mGLY~B 214 -75.86 40.02 57.41 -76.51 40.25 58.13 -76.04 39.02 55.15 -75.35 38.38 54.37 -75.91 38.80 56.64-999.99-999.99-999.99 1 0 17.89-999 ?-999 ?-999 ? CL CL B 584 mILE~B 215 -76.94 39.91 54.76 -77.44 40.35 55.50 -75.99 41.04 52.77 -75.95 41.31 51.57 -77.15 40.21 53.35 -78.48 40.95 53.15 3 0 14.79-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 216 -75.04 41.42 53.62 -75.18 41.14 54.57 -74.16 43.70 53.21 -73.32 44.47 52.79 -73.91 42.21 53.17-999.99-999.99-999.99 1 0 12.91-999 ?-999 ?-999 ? CL CL B 584 mALA.B 217 -75.30 44.14 53.71 -75.92 43.43 54.06 -74.87 46.30 54.86 -74.44 47.44 54.68 -75.58 45.56 53.74 -77.06 45.78 53.85 2 0 12.47-999 ?-999 ?-999 ? CL CL B 584 mLEU.B 218 -74.75 45.66 56.02 -75.14 44.74 56.02 -72.59 46.04 57.14 -72.11 44.95 56.81 -74.08 46.27 57.16 -74.64 45.73 58.47 3 0 15.41-999 ?-999 ?-999 ? CL CL B 584 mASP.B 219 -71.86 47.08 57.53 -72.40 47.87 57.80 -69.89 46.33 58.76 -70.65 45.74 59.53 -70.41 47.05 57.55 -69.88 48.48 57.57 2 0 15.79-999 ?-999 ?-999 ? CL CL B 584 mALA.B 220 -68.58 46.39 58.94 -68.09 46.89 58.22 -67.89 46.85 61.15 -67.90 46.56 62.34 -67.93 45.77 60.08 -66.53 45.33 59.72 2 0 18.00-999 ?-999 ?-999 ? CL CL A 585 mGLU.B 221 -67.85 48.10 60.69 -67.82 48.19 59.70 -69.27 49.55 61.99 -69.52 50.19 63.01 -67.83 49.24 61.60 -67.21 50.47 60.93 2 0 19.48-999 ?-999 ?-999 ? CL CL A 585 mGLY.B 222 -70.21 49.10 61.17 -69.89 48.61 60.37 -72.23 50.36 60.53 -73.17 51.06 60.89 -71.61 49.35 61.47-999.99-999.99-999.99 1 0 19.53-999 ?-999 ?-999 ? CL CL B 584 mPHE.B 223 -71.69 50.41 59.31 -70.95 49.75 59.17 -72.83 50.63 57.10 -72.30 49.66 56.58 -72.15 51.33 58.28 -70.97 52.16 57.76 3 0 16.53-999 ?-999 ?-999 ? CL CL B 584 mLEU.B 224 -73.99 51.12 56.70 -74.31 51.91 57.23 -74.09 50.91 54.27 -73.69 52.06 54.06 -74.72 50.54 55.59 -76.17 51.04 55.58 3 0 13.91-999 ?-999 ?-999 ? CL CL B 584 mSER~B 225 -73.99 49.93 53.38 -74.33 49.04 53.70 -74.48 50.95 51.32 -75.67 50.88 51.62 -73.43 50.16 52.06 -73.19 48.83 51.33 2 0 10.24-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 226 -74.02 51.72 50.35 -73.02 51.70 50.23 -76.20 51.76 49.27 -77.28 52.24 49.61 -74.90 52.53 49.54 -74.20 52.88 48.23 2 0 8.83-999 ?-999 ?-999 ? CL CL B 584 mALA~B 227 -76.09 50.57 48.69 -75.15 50.29 48.48 -78.13 49.55 49.65 -79.33 49.83 49.65 -77.27 49.76 48.40 -76.87 48.42 47.83 2 0 8.00-999 ?-999 ?-999 ? CL CL B 584 mGLY~B 228 -77.50 49.05 50.71 -76.52 48.86 50.58 -78.95 50.04 52.42 -80.07 49.94 52.90 -78.21 48.80 51.95-999.99-999.99-999.99 1 0 11.41-999 ?-999 ?-999 ? CL CL B 584 mLYS~B 229 -78.32 51.20 52.26 -77.41 51.11 51.85 -80.16 52.78 51.85 -81.23 53.04 52.40 -78.91 52.48 52.66 -77.90 53.62 52.46 2 0 12.98-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 230 -80.01 52.76 50.53 -79.09 52.54 50.22 -82.26 52.03 49.80 -83.42 52.37 49.56 -81.12 53.03 49.63 -80.63 53.03 48.18 3 0 12.26-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 231 -81.94 50.82 50.23 -80.97 50.69 50.42 -83.66 49.72 51.77 -84.79 49.26 51.86 -82.95 49.78 50.40 -82.34 48.42 50.07 3 0 13.36-999 ?-999 ?-999 ? CL CL B 584 mPHE~B 232 -83.00 50.19 52.83 -82.09 50.55 52.63 -83.75 51.51 54.81 -84.23 51.61 55.94 -83.60 50.15 54.16 -82.77 49.25 55.08 3 0 16.44-999 ?-999 ?-999 ? CL CL B 584 mTHR~B 233 -83.35 52.57 54.12 -82.97 52.34 53.21 -84.27 54.81 53.73 -84.31 54.60 52.51 -83.44 53.92 54.65 -82.05 54.55 54.80 2 0 17.48-999 ?-999 ?-999 ? CL CL B 584 mSER.B 234 -84.93 55.80 54.32 -84.83 55.84 55.31 -84.84 57.36 52.48 -83.76 57.87 52.78 -85.73 56.73 53.55 -86.29 57.81 54.47 2 0 19.28-999 ?-999 ?-999 ? CL CL B 584 mLEU.B 235 -85.28 57.32 51.22 -86.16 56.86 51.08 -84.89 59.38 50.02 -84.29 60.14 49.26 -84.48 57.93 50.17 -84.62 57.18 48.85 3 0 17.17-999 ?-999 ?-999 ? CL CL B 584 mASP.B 236 -85.93 59.77 50.75 -86.35 59.05 51.30 -86.89 61.64 49.38 -86.68 62.81 49.02 -86.40 61.15 50.74 -85.29 62.08 51.24 2 0 20.61-999 ?-999 ?-999 ? CL CL B 584 mARG.B 237 -87.53 60.76 48.62 -87.60 59.85 49.03 -88.74 59.88 46.72 -88.39 58.75 47.05 -88.07 61.10 47.31 -86.98 61.62 46.38 2 0 20.59-999 ?-999 ?-999 ? CL CL B 584 mTHR.B 238 -89.71 60.11 45.84 -89.90 61.08 45.67 -89.51 58.23 44.28 -88.84 58.80 43.42 -90.43 59.02 45.20 -91.63 59.54 44.39 2 0 20.89-999 ?-999 ?-999 ? CL CL B 584 mALA.B 239 -89.49 56.92 44.50 -90.08 56.61 45.24 -89.48 55.48 42.57 -89.01 55.39 41.44 -88.66 56.04 43.71 -88.12 54.91 44.57 2 0 17.76-999 ?-999 ?-999 ? CL CL B 584 mILE^B 240 -90.71 55.12 42.85 -91.01 55.24 43.80 -92.97 54.97 42.08 -93.38 55.02 43.23 -91.54 54.57 41.80 -91.39 53.04 41.76 3 0 19.82-999 ?-999 ?-999 ? CL CL B 584 mGLU^B 241 -93.73 55.26 41.03 -93.28 55.19 40.14 -96.00 55.08 40.12 -95.57 54.94 38.97 -95.12 55.64 41.22 -95.23 57.16 41.28 2 0 23.57-999 ?-999 ?-999 ? CL CL B 584 mLEU^B 242 -97.24 54.77 40.49 -97.43 54.95 41.46 -99.26 55.24 39.12 -99.85 55.94 39.95 -98.23 54.21 39.57 -98.97 53.04 40.23 3 0 26.31-999 ?-999 ?-999 ? CL CL B 584 mSER^B 243 -99.48 55.31 37.81 -98.92 54.68 37.27-101.44 55.43 36.41-101.09 54.87 35.38-100.45 56.24 37.23 -99.76 57.24 36.31 2 0 29.24-999 ?-999 ?-999 ? CL CL B 584 mILE^B 244 -102.68 55.36 36.87-102.85 55.87 37.72-104.42 55.41 35.08-105.02 56.44 35.38-103.70 54.60 36.16-104.75 54.08 37.13 3 0 32.16-999 ?-999 ?-999 ? CL CL B 584 mPHE^B 245 -104.36 54.94 33.84-103.82 54.10 33.73-106.30 54.90 32.29-106.64 53.82 32.79-105.02 55.62 32.73-104.08 55.75 31.52 3 0 34.40-999 ?-999 ?-999 ? CL CL B 584 mASP.B 246 -107.02 55.51 31.35-106.62 56.38 31.04-108.05 54.42 29.43-108.57 53.37 29.07-108.26 54.97 30.84-109.34 56.06 30.85 2 0 37.86-999 ?-999 ?-999 ? CL CL B 584 mVAL.B 247 -107.29 55.16 28.63-106.94 56.00 29.05-105.75 55.51 26.81-105.62 56.70 27.10-106.98 54.75 27.27-108.13 55.06 26.33 3 0 37.86-999 ?-999 ?-999 ? CL CL B 584 mHIS.B 248 -104.87 54.84 26.08-105.13 53.89 25.88-103.78 56.90 25.16-104.21 57.19 24.03-103.63 55.45 25.60-103.01 54.63 24.47 3 0 35.71-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 249 -103.43 57.82 26.05-103.09 57.46 26.92-104.39 59.95 26.78-105.61 59.94 26.69-103.53 59.24 25.75-999.99-999.99-999.99 1 0 36.49-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 250 -103.74 60.56 27.77-102.74 60.48 27.73-105.58 60.54 29.48-105.80 59.35 29.21-104.44 61.29 28.81-999.99-999.99-999.99 1 0 36.70-999 ?-999 ?-999 ? CL CL B 584 mGLN.B 251 -106.30 61.23 30.36-105.99 62.18 30.47-106.91 59.91 32.33-107.07 58.69 32.43-107.43 60.66 31.10-108.23 59.71 30.19 2 0 38.40-999 ?-999 ?-999 ? CL CL B 584 mVAL^B 252 -106.31 60.65 33.25-106.28 61.62 33.02-106.82 59.63 35.48-107.23 60.40 36.35-105.75 60.09 34.48-104.84 61.14 35.18 3 0 35.85-999 ?-999 ?-999 ? CL CL B 584 mLEU^B 253 -107.26 58.38 35.36-106.83 57.87 34.61-107.87 57.91 37.72-108.70 58.19 38.58-108.27 57.82 36.25-108.54 56.35 35.90 3 0 37.25-999 ?-999 ?-999 ? CL CL B 584 mASN^B 254 -106.60 57.65 38.01-106.03 57.42 37.22-104.58 57.67 39.40-103.96 57.15 38.47-106.10 57.71 39.39-106.66 56.53 40.20 2 0 34.78-999 ?-999 ?-999 ? CL CL B 584 mARG^B 255 -103.99 58.21 40.45-104.62 58.60 41.12-102.16 57.91 42.05-102.71 58.49 42.99-102.54 58.24 40.60-102.00 59.62 40.21 2 0 31.46-999 ?-999 ?-999 ? CL CL B 584 mVAL^B 256 -101.23 56.97 42.22-100.90 56.57 41.37 -99.24 56.71 43.67 -98.47 56.13 42.89-100.75 56.57 43.55-101.10 55.11 43.90 3 0 29.26-999 ?-999 ?-999 ? CL CL B 584 mVAL.B 257 -98.82 57.49 44.67 -99.57 57.87 45.21 -97.04 57.48 46.39 -97.72 57.94 47.31 -97.42 57.74 44.92 -97.04 59.18 44.56 3 0 26.58-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 258 -95.96 56.72 46.61 -95.50 56.40 45.78 -94.86 57.63 48.62 -94.25 58.47 47.95 -95.50 56.41 47.96 -94.52 55.27 47.73 3 0 24.90-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 259 -95.01 57.73 49.94 -95.54 56.98 50.34 -92.94 58.79 50.70 -92.33 57.76 50.94 -94.46 58.83 50.73 -94.92 58.76 52.19 2 0 25.65-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 260 -92.31 59.94 50.45 -92.94 60.70 50.30 -90.07 59.64 51.63 -88.84 59.68 51.63 -90.86 60.07 50.38 -90.67 61.56 50.06 3 0 23.12-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 261 -90.76 59.22 52.68 -91.76 59.23 52.56 -89.86 57.28 53.85 -89.04 56.74 54.60 -90.10 58.79 53.90 -90.94 59.13 55.14 2 0 23.48-999 ?-999 ?-999 ? CL CL B 584 mLYS.B 262 -90.57 56.60 52.95 -91.19 57.17 52.41 -89.19 54.77 51.99 -88.73 55.51 51.12 -90.44 55.16 52.78 -91.69 54.60 52.07 2 0 21.83-999 ?-999 ?-999 ? CL CL B 584 mSER~B 263 -88.63 53.60 52.31 -89.12 53.12 53.04 -87.87 52.24 50.43 -89.01 51.79 50.36 -87.43 53.05 51.65 -86.73 52.09 52.59 2 0 18.23-999 ?-999 ?-999 ? CL CL B 584 mCYH~B 264 -86.96 52.04 49.49 -86.06 52.44 49.67 -88.10 50.04 48.58 -89.09 49.77 47.90 -87.29 51.28 48.29 -86.04 50.87 47.54 2 0 16.17-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 265 -87.68 49.27 49.57 -86.86 49.59 50.05 -89.85 48.41 50.19 -90.77 47.72 49.74 -88.40 48.06 49.89 -87.77 47.36 51.08 3 0 17.63-999 ?-999 ?-999 ? CL CL B 584 mGLU~B 266 -90.04 49.49 50.94 -89.20 49.96 51.22 -92.14 50.48 50.08 -93.28 50.10 49.83 -91.39 49.94 51.29 -91.31 51.03 52.36 2 0 20.97-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 267 -91.48 51.36 49.34 -90.57 51.60 49.66 -92.43 50.83 47.15 -93.46 50.88 46.49 -92.10 51.92 48.16 -91.19 52.97 47.54 2 0 20.68-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 268 -91.55 49.83 47.03 -90.75 49.91 47.62 -93.01 47.97 46.53 -93.83 47.55 45.71 -91.79 48.75 46.10 -90.59 47.81 46.06 3 0 19.57-999 ?-999 ?-999 ? CL CL B 584 mASP~B 269 -93.14 47.76 47.83 -92.41 48.14 48.40 -95.53 47.82 48.09 -96.50 47.29 47.56 -94.27 47.03 48.35 -94.11 46.78 49.85 2 0 22.59-999 ?-999 ?-999 ? CL CL B 584 mTYR~B 270 -95.51 49.10 48.45 -94.65 49.39 48.86 -97.18 49.88 46.82 -98.38 49.73 46.59 -96.67 49.97 48.26 -96.30 51.42 48.59 3 0 24.86-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 271 -96.26 49.96 45.86 -95.33 50.08 46.18 -97.28 48.54 44.12 -98.32 48.51 43.45 -96.63 49.88 44.46 -95.40 50.10 43.58 3 0 24.14-999 ?-999 ?-999 ? CL CL B 584 mGLU~B 272 -96.67 47.45 44.57 -95.83 47.63 45.08 -98.57 45.94 44.96 -99.42 45.21 44.46 -97.19 46.10 44.32 -96.26 45.02 44.91 2 0 24.77-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 273 -98.76 46.63 46.09 -97.97 47.16 46.39-101.12 47.12 45.89-102.13 46.46 45.63-100.03 46.60 46.82 -99.98 47.51 48.05 2 0 27.87-999 ?-999 ?-999 ? CL CL B 584 mALA~B 274 -100.88 48.33 45.40-100.02 48.73 45.72-101.98 48.19 43.23-103.09 47.78 42.90-101.79 49.01 44.50-101.23 50.38 44.15 2 0 29.25-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 275 -100.88 47.95 42.54-100.04 48.33 42.93-101.71 45.90 41.41-102.37 45.49 40.46-100.92 47.20 41.30 -99.50 46.90 40.85 3 0 28.30-999 ?-999 ?-999 ? CL CL B 584 mASN~B 276 -101.63 45.25 42.57-101.05 45.70 43.26-103.84 44.19 42.68-104.57 43.27 42.29-102.33 43.99 42.79-102.00 43.43 44.18 2 0 30.04-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 277 -104.29 45.38 43.05-103.57 46.01 43.35-106.10 46.14 41.60-107.12 45.70 41.09-105.71 45.75 43.02-105.99 46.95 43.95 3 0 33.19-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 278 -105.28 46.98 40.97-104.49 47.25 41.52-105.60 46.29 38.62-106.21 46.42 37.56-105.52 47.45 39.62-104.40 48.38 39.17 3 0 32.97-999 ?-999 ?-999 ? CL CL B 584 mASN~B 279 -104.97 45.17 38.97-104.52 45.21 39.86-106.31 43.29 38.16-106.46 42.23 38.76-104.95 44.00 38.11-103.83 43.05 38.54 2 0 32.85-999 ?-999 ?-999 ? CL CL B 584 mLYS.B 280 -107.27 43.94 37.50-106.94 44.78 37.08-108.95 42.08 37.91-109.67 41.93 38.90-108.66 43.49 37.38-109.11 43.60 35.92 2 0 36.65-999 ?-999 ?-999 ? CL CL B 584 mASN.B 281 -108.40 41.07 37.25-107.83 41.34 36.48-110.11 39.32 37.50-110.53 38.80 36.46-108.63 39.68 37.66-108.21 39.46 39.12 2 0 37.31-999 ?-999 ?-999 ? CL CL B 584 mVAL.B 293 -107.70 34.23 37.85-108.48 33.98 38.42-106.63 36.07 36.57-107.57 36.47 35.88-106.56 34.60 37.01-106.49 33.69 35.76 3 0 36.99-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 294 -105.63 36.89 36.95-104.92 36.45 37.50-105.22 38.54 35.12-104.82 37.60 34.42-105.60 38.32 36.59-104.56 38.89 37.54 3 0 34.91-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 295 -105.36 39.78 34.65-105.69 40.44 35.32-103.59 39.74 33.00-103.30 38.75 32.33-105.04 40.10 33.27-105.24 41.58 33.00 2 0 34.58-999 ?-999 ?-999 ? CL CL B 584 mILE.B 296 -102.68 40.54 33.53-103.05 41.32 34.03-100.83 39.38 34.51-101.12 39.67 35.67-101.27 40.28 33.36-100.45 41.58 33.40 3 0 31.01-999 ?-999 ?-999 ? CL CL B 584 mPRO~B 297 -100.14 38.26 34.21 -99.98 38.11 33.23 -98.79 38.06 36.31 -97.82 38.73 35.96 -99.69 37.36 35.27 -98.98 36.25 34.49 3 0 30.02-999 ?-999 ?-999 ? CL CL B 584 mARG~B 298 -99.13 37.89 37.60 -99.93 37.30 37.72 -96.87 38.42 38.59 -96.15 39.39 38.82 -98.39 38.52 38.71 -98.86 37.90 40.04 2 0 27.81-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 299 -96.39 37.24 38.23 -97.09 36.54 38.10 -94.36 38.05 37.11 -93.35 38.68 37.42 -94.97 36.99 38.04 -94.78 35.61 37.43 3 0 25.43-999 ?-999 ?-999 ? CL CL B 584 mALA~B 300 -95.00 38.22 35.95 -95.80 37.63 35.84 -94.43 40.58 35.56 -93.37 41.21 35.47 -94.56 39.18 34.96 -95.54 39.20 33.79 2 0 24.83-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 301 -95.50 41.06 36.17 -96.29 40.44 36.17 -94.36 42.52 37.77 -93.52 43.41 37.64 -95.51 42.39 36.78 -96.85 42.67 37.50 3 0 24.24-999 ?-999 ?-999 ? CL CL B 584 mARG~B 302 -94.35 41.65 38.78 -95.11 40.99 38.77 -91.95 41.79 39.10 -91.09 42.58 39.51 -93.30 41.67 39.79 -93.33 40.37 40.61 2 0 21.87-999 ?-999 ?-999 ? CL CL B 584 mGLU~B 303 -91.76 41.03 38.04 -92.54 40.45 37.78 -90.19 42.44 36.77 -89.16 43.02 37.10 -90.50 41.05 37.32 -90.52 40.01 36.20 2 0 19.91-999 ?-999 ?-999 ? CL CL B 584 mALA~B 304 -91.09 42.97 35.95 -91.89 42.39 35.78 -90.57 45.33 36.42 -89.76 46.23 36.20 -90.92 44.29 35.36 -92.19 44.70 34.64 2 0 19.89-999 ?-999 ?-999 ? CL CL B 584 mMETB 305 -91.20 45.19 37.58 -91.83 44.41 37.60 -89.60 45.90 39.28 -88.77 46.81 39.29 -90.99 46.09 38.71 -92.00 45.77 39.81 2 0 18.79-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 306 -89.36 44.69 39.77 -90.13 44.05 39.70 -86.93 44.54 39.41 -85.78 44.43 39.81 -88.09 44.33 40.35 -88.11 42.88 40.78 3 0 16.08-999 ?-999 ?-999 ? CL CL B 584 mASN~B 307 -87.23 44.82 38.15 -88.20 44.88 37.93 -85.81 46.44 37.02 -84.64 46.83 36.99 -86.16 45.00 37.18 -86.56 44.41 35.85 2 0 14.76-999 ?-999 ?-999 ? CL CL B 584 mALA~B 308 -86.86 47.25 36.90 -87.75 46.80 36.92 -86.06 49.10 38.10 -85.19 49.96 38.15 -86.67 48.66 36.77 -88.01 49.34 36.54 2 0 14.96-999 ?-999 ?-999 ? CL CL B 584 mMETB 309 -86.51 48.45 39.17 -87.17 47.73 38.98 -84.53 48.61 40.70 -83.87 49.41 41.38 -86.04 48.80 40.50 -86.83 47.99 41.53 2 0 13.47-999 ?-999 ?-999 ? CL CL B 584 mILE~B 310 -83.97 47.57 40.10 -84.62 47.02 39.56 -81.66 47.94 39.17 -80.49 48.24 39.45 -82.56 47.26 40.23 -82.36 45.72 40.19 3 0 10.14-999 ?-999 ?-999 ? CL CL B 584 mHIS~B 311 -82.19 48.18 37.97 -83.15 47.90 37.88 -81.76 50.27 36.59 -81.44 50.79 35.52 -81.41 48.81 36.90 -81.51 47.97 35.63 3 0 10.13-999 ?-999 ?-999 ? CL CL B 584 mARG~B 312 -82.41 50.92 37.55 -82.61 50.35 38.35 -81.53 53.15 37.41 -80.43 52.60 37.52 -82.81 52.33 37.45 -83.62 52.69 38.70 2 0 11.75-999 ?-999 ?-999 ? CL CL B 584 mASP.B 313 -81.65 54.46 37.26 -82.58 54.81 37.18 -80.06 55.68 38.64 -78.89 55.92 38.92 -80.46 55.27 37.23 -80.67 56.52 36.39 2 0 11.35-999 ?-999 ?-999 ? CL CL B 584 mTRP.B 314 -81.04 55.78 39.52 -81.95 55.59 39.17 -79.91 57.42 41.06 -79.55 57.78 42.18 -80.74 56.15 40.90 -80.05 54.99 41.61 3 0 11.16-999 ?-999 ?-999 ? CL CL B 584 mASN.B 315 -79.61 58.08 39.96 -79.94 57.66 39.11 -79.72 60.41 39.39 -79.39 61.60 39.45 -78.85 59.32 40.01 -77.53 59.19 39.25 2 0 12.60-999 ?-999 ?-999 ? CL CL B 584 mARG.B 316 -80.82 59.98 38.79 -80.93 58.98 38.80 -82.94 61.11 39.12 -83.26 60.26 39.95 -81.77 60.88 38.17 -82.27 60.32 36.84 2 0 15.82-999 ?-999 ?-999 ? CL CL B 584 mSER.B 317 -83.57 62.27 38.99 -83.21 62.85 38.26 -85.95 61.84 39.56 -86.39 61.04 40.39 -84.69 62.64 39.83 -85.00 64.13 39.65 2 0 18.67-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 318 -86.54 62.07 38.39 -86.06 62.72 37.81 -87.84 59.94 38.44 -86.94 59.15 38.18 -87.77 61.39 38.01 -88.01 61.50 36.49 2 0 20.24-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 319 -88.92 59.56 39.14 -89.57 60.31 39.29 -89.52 57.26 38.52 -89.77 57.67 37.39 -89.14 58.21 39.64 -90.29 58.38 40.63 3 0 19.25-999 ?-999 ?-999 ? CL CL B 584 mILE^B 320 -89.56 55.97 38.84 -89.32 55.76 39.79 -91.41 55.19 37.59 -92.25 55.10 38.49 -89.94 54.96 37.87 -89.71 53.55 38.41 3 0 18.90-999 ?-999 ?-999 ? CL CL B 584 mASP^B 321 -91.72 55.50 36.34 -90.94 55.54 35.70 -93.75 54.47 35.47 -93.45 53.97 34.39 -93.09 55.75 35.96 -93.14 56.81 34.86 2 0 22.49-999 ?-999 ?-999 ? CL CL B 584 mVAL^B 322 -94.65 53.93 36.28 -94.78 54.40 37.15 -96.83 53.14 35.69 -97.50 53.58 36.63 -95.37 52.73 35.89 -95.26 51.60 36.96 3 0 23.89-999 ?-999 ?-999 ? CL CL B 584 mARG^B 323 -97.29 53.01 34.45 -96.62 52.65 33.80 -99.45 52.13 33.67 -98.89 51.16 33.17 -98.66 53.37 34.09 -98.63 54.40 32.96 2 0 27.60-999 ?-999 ?-999 ? CL CL B 584 mTRP^B 324 -100.76 52.18 33.89-101.07 53.04 34.29-102.84 51.51 32.70-103.65 52.33 33.13-101.65 51.07 33.57-102.15 50.45 34.89 3 0 30.30-999 ?-999 ?-999 ? CL CL B 584 mILE^B 325 -102.94 50.95 31.49-102.21 50.30 31.29-105.22 50.34 30.73-105.19 49.20 30.26-104.02 51.28 30.55-103.55 51.14 29.09 3 0 33.50-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 326 -106.27 50.82 31.38-106.17 51.77 31.67-108.11 49.32 30.44-108.46 48.15 30.52-107.46 50.02 31.64-108.51 50.87 32.35 2 0 36.35-999 ?-999 ?-999 ? CL CL B 584 mLEU.B 327 -108.26 50.03 29.32-107.92 50.97 29.38-108.07 48.37 27.43-108.59 47.31 27.11-108.88 49.46 28.13-109.19 50.55 27.12 3 0 38.80-999 ?-999 ?-999 ? CL CL B 584 mASP.B 328 -106.79 48.64 27.19-106.49 49.54 27.51-105.36 46.65 27.48-104.73 45.67 27.06-105.93 47.67 26.51-104.77 48.38 25.81 2 0 36.71-999 ?-999 ?-999 ? CL CL B 584 mSER.B 329 -105.59 46.88 28.77-106.12 47.70 28.95-103.59 45.80 29.68-103.11 44.67 29.61-105.09 45.99 29.83-105.78 44.63 29.76 2 0 34.74-999 ?-999 ?-999 ? CL CL B 584 mTHR^B 330 -102.86 46.91 29.63-103.38 47.76 29.69-100.71 47.60 30.61-101.32 48.42 31.30-101.41 46.84 29.48-100.94 47.43 28.13 2 0 31.40-999 ?-999 ?-999 ? CL CL B 584 mLEU^B 331 -99.43 47.31 30.80 -99.06 46.62 30.18 -97.33 48.45 31.23 -96.70 47.76 30.42 -98.64 47.96 31.84 -98.39 46.98 33.00 3 0 27.91-999 ?-999 ?-999 ? CL CL B 584 mILE^B 332 -96.94 49.67 31.59 -97.56 50.12 32.24 -94.85 50.76 32.25 -95.35 51.38 33.19 -95.71 50.27 31.09 -96.01 51.48 30.18 3 0 25.56-999 ?-999 ?-999 ? CL CL B 584 mVAL^B 333 -93.55 50.50 32.16 -93.28 50.00 31.34 -91.48 51.76 32.68 -90.48 51.23 32.20 -92.64 50.92 33.20 -92.08 49.71 33.95 3 0 21.96-999 ?-999 ?-999 ? CL CL B 584 mARG^B 334 -91.65 53.08 32.77 -92.53 53.34 33.16 -89.59 54.10 33.41 -89.84 54.52 34.54 -90.65 54.04 32.33 -91.28 55.43 32.17 2 0 21.16-999 ?-999 ?-999 ? CL CL B 584 mSER^B 335 -88.39 53.66 33.05 -88.33 53.36 32.10 -86.20 54.66 33.54 -85.68 54.60 32.42 -87.26 53.65 33.97 -86.67 52.23 34.01 2 0 17.43-999 ?-999 ?-999 ? CL CL B 584 mPRO^B 336 -85.85 55.60 34.43 -86.34 55.57 35.31 -83.51 55.92 33.76 -83.06 55.02 34.47 -84.84 56.60 34.10 -84.76 57.44 35.36 3 0 16.61-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 337 -82.87 56.37 32.68 -83.33 57.11 32.19 -81.79 54.87 31.06 -82.92 54.48 30.75 -81.60 55.79 32.26-999.99-999.99-999.99 1 0 15.08-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 338 -80.70 54.53 30.39 -79.85 54.91 30.73 -79.78 52.53 29.27 -78.86 52.55 30.09 -80.80 53.65 29.23-999.99-999.99-999.99 1 0 15.97-999 ?-999 ?-999 ? CL CL B 584 mPHE.B 339 -79.93 51.54 28.39 -80.72 51.65 27.78 -77.56 50.88 28.50 -77.11 51.81 27.82 -79.00 50.42 28.32 -79.13 49.70 26.97 3 0 15.18-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 340 -76.82 50.24 29.42 -77.29 49.51 29.92 -74.58 50.40 28.39 -74.59 49.30 27.83 -75.42 50.63 29.65 -75.01 49.73 30.82 3 0 12.82-999 ?-999 ?-999 ? CL CL B 584 mALA.B 341 -73.87 51.44 27.95 -73.98 52.25 28.52 -72.33 50.05 26.53 -71.16 49.88 26.89 -73.02 51.40 26.75 -71.98 52.52 26.81 2 0 15.51-999 ?-999 ?-999 ? CL CL B 584 mALA.B 342 -73.06 49.12 25.93 -73.98 49.43 25.68 -73.77 46.87 25.32 -73.65 45.94 24.52 -72.57 47.77 25.65 -71.82 47.21 26.86 2 0 16.36-999 ?-999 ?-999 ? CL CL B 584 mILE.B 343 -74.91 47.18 25.95 -74.82 47.97 26.56 -77.06 47.08 24.72 -77.30 48.30 24.75 -76.16 46.43 25.77 -76.96 46.32 27.11 3 0 16.73-999 ?-999 ?-999 ? CL CL B 584 mTHR.B 344 -77.57 46.26 23.80 -77.29 45.31 23.92 -79.82 46.05 22.88 -79.99 45.14 23.69 -78.45 46.72 22.74 -77.83 46.38 21.34 2 0 20.19-999 ?-999 ?-999 ? CL CL B 584 mSER.B 345 -80.79 46.51 22.09 -80.49 47.26 21.49 -82.16 44.53 21.60 -83.12 43.78 21.82 -82.15 45.98 22.12 -83.06 46.87 21.26 2 0 22.17-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 346 -81.08 44.14 20.92 -80.39 44.85 20.82 -80.05 41.91 21.26 -79.71 40.79 20.91 -80.94 42.78 20.37 -80.35 42.85 18.95 2 0 23.86-999 ?-999 ?-999 ? CL CL B 584 mASN.B 347 -79.70 42.45 22.43 -80.06 43.37 22.58 -79.38 41.99 24.81 -78.69 42.58 25.64 -78.86 41.74 23.39 -77.41 42.22 23.26 2 0 20.75-999 ?-999 ?-999 ? CL CL B 584 mVAL.B 348 -80.60 41.52 25.07 -81.03 41.05 24.30 -81.61 40.37 27.04 -81.24 40.13 28.19 -81.23 41.70 26.38 -82.50 42.58 26.24 3 0 19.08-999 ?-999 ?-999 ? CL CL B 584 mLEU.B 349 -82.33 39.52 26.32 -82.55 39.84 25.40 -81.57 37.29 27.16 -81.77 36.12 27.48 -82.75 38.22 26.86 -83.70 37.53 25.89 3 0 20.90-999 ?-999 ?-999 ? CL CL B 584 mSER.B 350 -80.35 37.81 27.06 -80.33 38.77 26.78 -78.19 37.76 28.24 -77.46 37.14 29.01 -79.15 37.02 27.32 -78.44 36.66 26.01 2 0 19.75-999 ?-999 ?-999 ? CL CL B 584 mASN.B 351 -78.18 39.09 28.17 -78.82 39.48 27.51 -77.54 39.64 30.51 -78.68 39.69 30.97 -77.29 39.89 29.02 -77.48 41.38 28.74 2 0 16.26-999 ?-999 ?-999 ? CL CL B 584 mARG.B 352 -76.47 39.39 31.25 -75.60 39.40 30.75 -75.89 40.22 33.52 -75.92 40.19 34.75 -76.57 39.14 32.69 -75.96 37.78 33.05 2 0 13.79-999 ?-999 ?-999 ? CL CL B 584 mALA.B 353 -75.26 41.18 32.84 -75.30 41.09 31.85 -75.61 43.28 34.07 -76.73 43.35 33.58 -74.58 42.27 33.54 -73.60 42.97 32.59 2 0 10.69-999 ?-999 ?-999 ? CL CL B 584 mALA.B 354 -75.21 44.04 35.09 -74.28 43.87 35.39 -75.35 46.35 35.89 -74.12 46.38 35.94 -76.10 45.03 35.69 -76.61 44.52 37.01 2 0 7.99-999 ?-999 ?-999 ? CL CL B 584 mARG.B 355 -76.10 47.44 36.00 -77.09 47.27 35.94 -74.94 48.86 37.62 -73.92 49.51 37.85 -75.50 48.75 36.20 -76.54 49.85 35.98 2 0 6.46-999 ?-999 ?-999 ? CL CL B 584 mTYR~B 356 -75.64 48.22 38.55 -76.45 47.75 38.19 -75.18 46.78 40.48 -76.09 46.31 41.14 -75.27 48.21 39.97 -76.32 48.96 40.79 3 0 -3.32-999 ?-999 ?-999 ? CL CL B 584s mPRO~B 357 -74.08 46.08 40.18 -73.39 46.57 39.64 -74.26 44.55 42.12 -75.01 43.67 42.51 -73.94 44.70 40.64 -72.49 44.38 40.33 3 0 -4.26-999 ?-999 ?-999 ? CL CL B 584s mALA~B 358 -73.68 45.42 42.94 -73.11 46.11 42.49 -75.36 45.37 44.69 -75.86 44.50 45.40 -73.88 45.35 44.38 -73.19 46.50 45.06 2 0 -4.17-999 ?-999 ?-999 ? CL CL B 584s mLEU~B 359 -76.04 46.37 44.14 -75.49 46.98 43.57 -78.21 45.27 43.93 -79.03 44.74 44.67 -77.47 46.53 44.36 -77.97 47.75 43.57 3 0 5.73-999 ?-999 ?-999 ? CL CL B 584 mALA~B 360 -77.89 44.80 42.74 -77.22 45.34 42.24 -78.29 42.44 43.22 -79.20 41.65 43.47 -78.51 43.58 42.22 -77.89 43.21 40.87 2 0 7.67-999 ?-999 ?-999 ? CL CL B 584 mASP~B 361 -77.09 42.36 43.79 -76.43 43.06 43.52 -77.68 41.41 45.99 -78.35 40.45 46.35 -76.82 41.30 44.73 -75.36 41.26 45.14 2 0 8.79-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 362 -77.66 42.56 46.64 -77.08 43.27 46.25 -79.87 42.22 47.62 -80.49 41.66 48.53 -78.45 42.72 47.85 -78.47 44.18 48.27 3 0 10.08-999 ?-999 ?-999 ? CL CL B 584 mTYR~B 363 -80.40 42.41 46.42 -79.82 42.89 45.76 -81.77 40.41 46.08 -82.75 39.80 46.51 -81.75 41.93 46.13 -82.25 42.48 44.80 3 0 11.98-999 ?-999 ?-999 ? CL CL B 584 mARG~B 364 -80.70 39.82 45.55 -80.00 40.45 45.22 -80.45 37.84 46.90 -81.02 36.82 47.24 -80.57 38.36 45.48 -79.30 37.95 44.71 2 0 13.35-999 ?-999 ?-999 ? CL CL B 584 mALA~B 365 -79.68 38.56 47.72 -79.28 39.37 47.30 -80.81 38.12 49.82 -81.12 37.15 50.53 -79.47 38.17 49.10 -78.55 39.16 49.78 2 0 14.31-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 366 -81.60 39.17 49.62 -81.20 39.87 49.02 -83.89 38.23 49.74 -85.03 38.16 50.21 -82.92 39.28 50.24 -83.51 40.67 49.97 3 0 16.09-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 367 -83.45 37.40 48.80 -82.50 37.55 48.52 -85.40 36.96 47.37 -86.40 36.31 47.09 -84.32 36.37 48.25-999.99-999.99-999.99 1 0 17.98-999 ?-999 ?-999 ? CL CL B 584 mLEU.B 368 -85.20 38.19 46.92 -84.33 38.60 47.18 -86.13 38.63 44.58 -87.04 39.01 43.86 -86.19 38.86 46.10 -86.17 40.36 46.40 3 0 17.14-999 ?-999 ?-999 ? CL CL B 584 mVAL.B 369 -85.07 37.98 44.10 -84.39 37.71 44.78 -84.30 36.35 42.47 -84.07 35.62 43.42 -84.95 37.71 42.68 -84.11 38.79 42.00 3 0 16.40-999 ?-999 ?-999 ? CL CL B 584 mASP.B 370 -84.03 36.02 41.21 -84.28 36.72 40.54 -82.01 35.05 40.37 -81.52 36.16 40.56 -83.41 34.74 40.87 -84.21 34.06 39.76 2 0 17.53-999 ?-999 ?-999 ? CL CL B 584 mLYS.B 371 -81.36 34.08 39.73 -81.87 33.22 39.65 -79.92 35.61 38.42 -79.18 36.52 38.82 -80.01 34.28 39.20 -79.62 33.11 38.29 2 0 16.28-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 372 -80.66 35.71 37.31 -81.19 34.88 37.11 -81.61 36.74 35.26 -82.74 37.22 35.24 -80.70 36.92 36.48 -79.29 37.33 36.01 2 0 15.17-999 ?-999 ?-999 ? CL CL B 584 mGLY~B 373 -81.09 36.05 34.25 -80.15 35.72 34.38 -83.14 35.08 33.40 -84.17 35.26 32.76 -81.87 35.81 33.05-999.99-999.99-999.99 1 0 18.07-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 374 -83.07 34.24 34.43 -82.17 34.19 34.87 -85.41 34.44 35.02 -86.54 34.10 34.69 -84.22 33.48 34.87 -83.94 32.77 36.21 3 0 20.28-999 ?-999 ?-999 ? CL CL B 584 mGLY~B 375 -85.13 35.65 35.50 -84.17 35.82 35.72 -86.83 37.09 34.38 -87.94 36.68 34.04 -86.19 36.63 35.68-999.99-999.99-999.99 1 0 19.10-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 376 -86.12 37.94 33.65 -85.24 38.19 34.05 -87.13 37.35 31.46 -88.07 37.56 30.70 -86.60 38.46 32.38 -85.48 39.27 31.66 3 0 19.71-999 ?-999 ?-999 ? CL CL B 584 mASP~B 377 -86.52 36.18 31.55 -85.77 36.14 32.20 -88.30 34.52 31.17 -89.20 34.34 30.35 -86.94 35.04 30.73 -85.93 33.90 30.82 2 0 22.65-999 ?-999 ?-999 ? CL CL B 584 mARG~B 378 -88.45 34.25 32.46 -87.64 34.43 33.03 -90.83 34.72 32.67 -91.98 34.33 32.49 -89.71 33.73 32.97 -89.61 33.47 34.48 2 0 24.32-999 ?-999 ?-999 ? CL CL B 584 mMETB 379 -90.47 35.99 32.60 -89.50 36.16 32.78 -91.97 36.80 30.90 -93.17 36.91 30.66 -91.43 37.04 32.30 -90.74 38.40 32.38 2 0 24.05-999 ?-999 ?-999 ? CL CL B 584 mTYR~B 380 -91.07 36.49 29.98 -90.13 36.46 30.32 -92.33 34.98 28.57 -93.49 35.06 28.22 -91.45 36.21 28.61 -90.21 35.96 27.75 3 0 26.16-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 381 -91.76 33.85 28.97 -90.81 33.94 29.25 -93.88 32.73 29.60 -94.82 32.08 29.18 -92.49 32.59 28.98 -91.68 31.53 29.73 2 0 28.58-999 ?-999 ?-999 ? CL CL B 584 mALA~B 382 -93.99 33.59 30.61 -93.14 34.06 30.85 -96.37 34.24 30.32 -97.48 33.70 30.33 -95.28 33.80 31.29 -95.12 34.84 32.40 2 0 29.04-999 ?-999 ?-999 ? CL CL B 584 mMETB 383 -96.04 35.24 29.51 -95.11 35.59 29.64 -97.16 34.78 27.39 -98.29 34.41 27.08 -96.95 35.79 28.52 -96.37 37.08 27.94 2 0 30.57-999 ?-999 ?-999 ? CL CL B 584 mILE~B 384 -96.05 34.34 26.81 -95.21 34.73 27.19 -97.01 32.22 25.99 -97.76 31.81 25.10 -96.06 33.38 25.71 -94.65 32.78 25.46 3 0 32.29-999 ?-999 ?-999 ? CL CL B 584 mALA~B 385 -96.98 31.70 27.22 -96.35 32.16 27.84 -99.28 30.88 27.78-100.13 29.98 27.74 -97.82 30.56 27.60 -97.27 29.94 28.86 2 0 32.31-999 ?-999 ?-999 ? CO CO D 601 mLEU~B 386 -99.60 32.15 27.99 -98.83 32.78 28.02-101.58 33.08 26.86-102.76 33.43 26.81-101.00 32.53 28.15-101.15 33.59 29.24 3 0 34.91-999 ?-999 ?-999 ? CO CO D 601 mGLY.B 387 -100.77 33.17 25.81 -99.82 32.87 25.97-101.01 35.13 24.27-101.13 35.57 23.13-101.27 33.67 24.55-999.99-999.99-999.99 1 0 36.66-999 ?-999 ?-999 ? CL CL B 584 mHIS.B 388 -100.68 35.90 25.31-100.65 35.42 26.19 -99.06 37.43 24.41 -98.33 36.45 24.28-100.38 37.32 25.15-100.24 38.00 26.50 3 0 34.32-999 ?-999 ?-999 ? CL CL B 584 mARG.B 389 -98.74 38.63 23.93 -99.42 39.34 24.10 -96.34 39.12 24.19 -96.54 39.73 25.24 -97.49 38.83 23.22 -97.64 39.98 22.21 2 0 32.60-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 390 -95.11 38.70 23.84 -95.09 38.23 22.95 -93.67 40.33 25.08 -93.77 41.25 24.27 -93.91 38.89 24.66 -92.80 38.35 23.78 3 0 29.07-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 391 -93.32 40.54 26.35 -93.24 39.72 26.92 -92.02 42.60 26.01 -90.90 42.13 25.89 -93.07 41.90 26.84 -92.64 41.68 28.29 3 0 26.28-999 ?-999 ?-999 ? CL CL B 584 mTHR^B 392 -92.38 43.72 25.40 -93.33 44.01 25.54 -90.71 45.51 25.41 -91.34 46.38 26.01 -91.42 44.44 24.59 -92.09 45.04 23.33 2 0 25.91-999 ?-999 ?-999 ? CL CL B 584 mILE^B 393 -89.38 45.42 25.46 -89.00 44.65 24.95 -87.69 47.17 25.24 -86.93 46.60 24.47 -88.58 46.38 26.20 -87.71 45.69 27.27 3 0 22.53-999 ?-999 ?-999 ? CL CL B 584 mGLU^B 394 -87.81 48.50 25.30 -88.46 48.82 25.99 -86.52 50.60 25.16 -86.96 50.89 26.27 -87.06 49.38 24.41 -87.97 49.83 23.27 2 0 22.74-999 ?-999 ?-999 ? CL CL B 584 mGLU^B 395 -85.57 51.29 24.54 -85.31 50.93 23.65 -85.47 53.76 24.43 -85.20 53.97 23.25 -84.97 52.49 25.13 -83.44 52.43 25.03 2 0 21.25-999 ?-999 ?-999 ? CL CL B 584 mILE^B 396 -86.21 54.58 25.17 -86.36 54.27 26.11 -85.73 56.93 24.89 -84.82 56.76 25.70 -86.75 55.83 24.64 -88.08 56.23 25.33 3 0 23.52-999 ?-999 ?-999 ? CL CL B 584 mALA.B 397 -85.87 58.06 24.20 -86.64 58.08 23.56 -85.19 59.76 25.79 -86.33 59.90 26.23 -84.94 59.16 24.41 -85.11 60.20 23.32 2 0 23.93-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 398 -84.11 60.12 26.48 -83.23 59.96 26.01 -82.89 60.82 28.51 -82.49 61.93 28.86 -84.23 60.69 27.80-999.99-999.99-999.99 1 0 21.98-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 399 -82.17 59.71 28.75 -81.32 59.94 29.22 -83.67 57.82 29.26 -84.01 58.41 30.28 -82.51 58.32 28.42 -81.22 57.59 28.73 3 0 19.41-999 ?-999 ?-999 ? CL CL B 584 mPHE^B 400 -84.26 56.71 28.82 -83.83 56.35 27.99 -85.57 54.68 28.88 -85.37 54.47 27.69 -85.41 56.08 29.46 -86.68 56.88 29.16 3 0 19.40-999 ?-999 ?-999 ? CL CL B 584 mVAL^B 401 -85.93 53.72 29.72 -86.04 54.01 30.67 -87.46 51.87 29.77 -87.66 51.78 30.98 -86.13 52.36 29.25 -85.04 51.40 29.74 3 0 18.93-999 ?-999 ?-999 ? CL CL B 584 mGLU^B 402 -88.38 51.54 28.87 -88.11 51.64 27.92 -90.06 49.70 28.81 -89.78 49.34 27.67 -89.68 51.08 29.32 -90.77 52.10 28.94 2 0 21.38-999 ?-999 ?-999 ? CL CL B 584 mTHR^B 403 -90.67 48.93 29.70 -90.80 49.36 30.60 -92.63 47.67 29.28 -93.28 48.35 30.08 -91.11 47.59 29.39 -90.73 46.63 30.52 2 0 22.37-999 ?-999 ?-999 ? CL CL B 584 mTHR^B 404 -93.18 46.98 28.29 -92.54 46.46 27.73 -95.23 45.60 27.99 -94.89 44.79 27.12 -94.63 46.99 28.07 -94.96 47.75 26.77 2 0 26.06-999 ?-999 ?-999 ? CL CL B 584 mLEU^B 405 -96.13 45.32 28.92 -96.31 46.06 29.57 -98.24 44.21 28.59 -98.92 45.06 29.14 -96.79 44.02 28.97 -96.70 43.42 30.38 3 0 27.79-999 ?-999 ?-999 ? CL CL B 584 mVAL^B 406 -98.70 43.41 27.64 -98.04 42.77 27.26-100.86 42.30 27.69-100.67 41.18 27.19-100.08 43.51 27.21-100.19 43.57 25.69 3 0 31.56-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 407 -101.73 42.52 28.66-101.80 43.47 28.97-103.92 41.31 28.67-104.22 41.70 27.55-102.51 41.44 29.21-999.99-999.99-999.99 1 0 33.24-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 408 -104.79 40.74 29.50-104.41 40.46 30.39-106.59 39.08 29.21-105.86 38.25 29.76-106.18 40.54 29.12-999.99-999.99-999.99 1 0 36.79-999 ?-999 ?-999 ? CL CL B 584 mARG.B 409 -107.76 38.76 28.67-108.27 39.52 28.27-107.23 36.49 27.99-106.67 36.87 26.96-108.23 37.39 28.71-109.61 37.27 28.04 2 0 39.58-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 410 -106.99 35.31 28.55-107.50 35.15 29.40-106.72 33.60 26.83-107.92 33.32 26.88-106.06 34.33 27.99-105.79 33.41 29.17 3 0 38.64-999 ?-999 ?-999 ? CO CO D 601 mVAL~B 411 -105.94 33.30 25.80-104.99 33.59 25.89-106.52 31.08 24.91-105.50 30.40 24.85-106.48 32.60 24.64-105.65 32.94 23.38 3 0 38.72-999 ?-999 ?-999 ? CO CO D 601 mLEU~B 412 -107.72 30.58 25.20-108.45 31.27 25.18-107.16 28.14 24.70-106.42 27.33 25.27-107.95 29.17 25.50-109.45 28.83 25.40 3 0 36.58-999 ?-999 ?-999 ? CO CO D 601 mPRO~B 413 -107.32 28.13 23.37-107.95 28.81 23.00-105.07 27.12 22.82-104.45 26.07 22.71-106.58 27.16 22.56-106.94 27.56 21.12 3 0 35.79-999 ?-999 ?-999 ? CO CO D 601 mVAL~B 414 -104.49 28.26 23.19-105.10 29.05 23.24-102.78 27.58 24.80-101.77 26.89 24.93-103.06 28.30 23.48-102.51 29.77 23.58 3 0 34.41-999 ?-999 ?-999 ? CO CO D 601 mLEU~B 415 -103.69 27.72 25.77-104.47 28.30 25.52-103.65 25.55 26.98-102.92 24.81 27.65-103.51 27.06 27.07-104.52 27.60 28.09 3 0 32.02-999 ?-999 ?-999 ? CO CO D 601 mGLU~B 416 -104.59 25.08 26.16-105.13 25.77 25.68-103.61 23.08 25.22-103.27 21.90 25.36-104.78 23.65 26.01-106.10 23.33 25.30 2 0 30.72-999 ?-999 ?-999 ? CO CO D 601 mLEU~B 417 -102.99 23.91 24.40-103.37 24.84 24.36-100.72 23.18 24.60 -99.99 22.20 24.47-101.84 23.47 23.61-101.43 24.56 22.61 3 0 30.34-999 ?-999 ?-999 ? CO CO D 601 mVAL~B 418 -100.61 24.04 25.61-101.27 24.79 25.60 -99.96 22.73 27.56 -99.10 21.95 27.95 -99.59 23.89 26.64 -99.45 25.18 27.48 3 0 28.01-999 ?-999 ?-999 ? CO CO D 601 mSER~B 419 -101.24 22.60 27.89-101.85 23.30 27.51-101.42 20.12 28.19-101.51 19.13 28.90-101.69 21.52 28.76-103.18 21.65 29.06 2 0 26.26-999 ?-999 ?-999 ? CO CO D 601 mSER~B 420 -101.09 20.04 26.90-101.03 20.92 26.43 -99.36 18.43 26.16 -98.98 17.30 25.83-100.84 18.75 26.27-101.46 18.73 24.88 2 0 25.24-999 ?-999 ?-999 ? CO CO D 601 mILE.B 421 -98.53 19.43 26.43 -98.99 20.28 26.67 -96.61 18.12 27.20 -97.03 17.96 28.35 -97.07 19.30 26.36 -96.36 20.57 26.91 3 0 23.80-999 ?-999 ?-999 ? CO CO D 601 mVAL.B 422 -95.73 17.32 26.62 -95.48 17.58 25.69 -93.73 15.99 26.96 -93.35 16.00 25.80 -95.19 16.15 27.30 -95.92 14.87 26.90 3 0 20.36-999 ?-999 ?-999 ? CO CO D 601 mPRO~B 423 -92.88 15.80 27.98 -91.95 15.70 27.63 -93.78 16.96 30.03 -93.52 18.08 29.60 -93.16 15.71 29.41 -91.79 15.41 30.00 3 0 18.01-999 ?-999 ?-999 ? CO CO D 601 mGLU~B 424 -94.59 16.74 31.06 -94.69 15.77 31.30 -94.32 18.91 32.21 -94.68 20.09 32.21 -95.27 17.81 31.75 -96.01 17.26 32.97 2 0 19.05-999 ?-999 ?-999 ? CO CO D 601 mALA~B 425 -93.10 18.55 32.58 -92.91 17.57 32.51 -91.67 20.50 31.97 -90.96 21.46 32.26 -92.15 19.55 33.06 -90.95 18.87 33.72 2 0 18.92-999 ?-999 ?-999 ? CO CO D 601 mARG~B 426 -92.06 20.23 30.72 -92.63 19.42 30.62 -92.62 22.24 29.36 -92.31 23.15 28.60 -91.65 21.09 29.62 -91.47 20.29 28.33 2 0 21.73-999 ?-999 ?-999 ? CO CO D 601 mGLN~B 427 -93.78 22.19 30.00 -93.91 21.40 30.60 -94.17 24.62 30.09 -94.04 25.45 29.18 -94.75 23.24 29.81 -95.97 22.96 30.69 2 0 24.20-999 ?-999 ?-999 ? CO CO D 601 mASP.B 428 -93.77 24.86 31.33 -93.89 24.10 31.96 -91.72 26.32 31.35 -90.99 27.04 32.02 -93.20 26.16 31.70 -93.41 26.40 33.19 2 0 25.61-999 ?-999 ?-999 ? CO CO D 601 mASP~B 429 -91.29 25.65 30.28 -92.00 25.10 29.83 -89.66 26.84 28.84 -90.13 26.80 27.70 -89.90 25.71 29.84 -89.50 24.37 29.23 2 0 25.42-999 ?-999 ?-999 ? CO CO D 601 mTYR~B 430 -88.90 27.85 29.27 -88.57 27.73 30.21 -88.19 28.68 27.00 -88.62 29.38 26.09 -88.58 29.00 28.44 -87.45 29.80 29.08 3 0 28.61-999 ?-999 ?-999 ? CL CL B 584 mARG~B 431 -87.38 27.65 26.80 -87.09 27.16 27.62 -88.14 26.98 24.54 -88.36 27.65 23.53 -86.96 27.30 25.45 -86.00 26.10 25.43 2 0 28.83-999 ?-999 ?-999 ? CO CO D 601 mILE~B 432 -88.91 25.95 24.87 -88.66 25.48 25.72 -90.94 26.80 23.81 -91.57 26.93 22.76 -90.02 25.59 24.01 -90.82 24.37 24.57 3 0 28.32-999 ?-999 ?-999 ? CO CO D 601 mALA~B 433 -91.01 27.68 24.80 -90.45 27.46 25.59 -91.39 29.70 23.51 -92.18 30.08 22.66 -91.86 28.86 24.69 -91.80 29.68 25.97 2 0 30.85-999 ?-999 ?-999 ? CO CO D 601 mILE~B 434 -90.09 29.99 23.48 -89.55 29.63 24.25 -89.72 30.04 21.08 -90.10 30.64 20.07 -89.52 30.78 22.39 -88.02 31.03 22.58 3 0 31.37-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 435 -89.45 28.74 21.07 -89.12 28.36 21.94 -91.09 28.06 19.42 -91.38 28.46 18.31 -89.63 27.97 19.85 -89.28 26.48 20.04 3 0 32.72-999 ?-999 ?-999 ? CO CO D 601 mLEU~B 436 -92.01 27.69 20.30 -91.67 27.39 21.19 -93.85 29.12 19.45 -94.47 29.23 18.40 -93.42 27.75 19.94 -94.30 27.33 21.10 3 0 32.95-999 ?-999 ?-999 ? CO CO D 601 mTYR~B 437 -93.53 30.16 20.21 -93.00 29.95 21.03 -93.41 31.88 18.45 -94.04 32.64 17.72 -93.94 31.50 19.81 -93.48 32.54 20.82 3 0 35.14-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 438 -92.23 31.37 18.11 -91.79 30.79 18.80 -92.60 31.02 15.76 -92.96 31.66 14.78 -91.68 31.66 16.80 -90.24 31.13 16.69 3 0 35.79-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 439 -93.01 29.77 15.99 -92.65 29.36 16.83 -95.32 29.65 15.08 -96.24 29.09 14.48 -93.91 29.08 15.07 -93.96 27.60 15.38 3 0 37.23-999 ?-999 ?-999 ? CO CO D 601 mPHE~B 440 -95.50 30.75 15.80 -94.69 31.08 16.28 -96.70 32.59 14.90 -97.71 33.04 14.35 -96.79 31.41 15.85 -97.07 31.92 17.27 3 0 38.97-999 ?-999 ?-999 ? CO CO D 601 mGLN~B 441 -95.49 33.08 14.68 -94.76 32.61 15.19 -94.79 33.75 12.43 -95.30 34.20 11.41 -95.25 34.21 13.79 -94.20 35.14 14.39 2 0 38.87-999 ?-999 ?-999 ? CL CL B 584 mARG~B 442 -93.80 32.86 12.41 -93.48 32.58 13.31 -93.78 30.96 10.82 -94.14 30.18 11.70 -93.25 32.34 11.16 -91.73 32.27 11.24 2 0 40.46-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 443 -93.82 30.63 9.52 -93.50 31.35 8.91 -93.25 28.24 9.27 -93.57 27.06 9.43 -94.30 29.33 9.05 -94.57 29.59 7.57 3 0 41.83-999 ?-999 ?-999 ? CO CO D 601 mPHE.B 444 -91.98 28.65 9.28 -91.86 29.63 9.12 -89.82 28.33 10.38 -89.62 29.54 10.39 -90.89 27.70 9.49 -90.27 27.28 8.16 3 0 40.05-999 ?-999 ?-999 ? CO CO D 601 mILE.B 445 -89.14 27.48 11.13 -89.39 26.51 11.03 -86.79 27.25 11.74 -86.74 26.05 11.46 -88.10 27.95 12.03 -88.50 27.74 13.52 3 0 38.12-999 ?-999 ?-999 ? CO CO D 601 mTHR~B 446 -85.71 28.01 11.81 -85.88 28.97 12.04 -83.50 27.80 12.73 -83.76 28.74 13.48 -84.39 27.47 11.55 -83.78 28.04 10.23 2 0 38.31-999 ?-999 ?-999 ? CO CO D 601 mILE~B 447 -82.45 27.00 12.89 -82.37 26.29 12.20 -81.06 28.61 14.19 -80.90 29.06 15.32 -81.50 27.17 13.98 -80.28 26.30 13.73 3 0 36.33-999 ?-999 ?-999 ? CL CL B 584 mASP~B 448 -80.87 29.35 13.10 -81.03 28.88 12.23 -81.60 31.57 13.76 -81.40 32.40 14.65 -80.45 30.74 13.21 -80.04 31.31 11.85 2 0 34.72-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 449 -82.79 31.34 13.23 -82.81 30.63 12.53 -84.17 31.91 15.17 -84.39 32.87 15.90 -83.96 32.08 13.67 -85.24 31.62 12.94 3 0 34.65-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 450 -84.09 30.66 15.62 -83.91 29.98 14.90 -83.22 31.13 17.84 -83.56 31.76 18.85 -84.24 30.33 17.03 -83.99 28.83 17.24 3 0 33.00-999 ?-999 ?-999 ? CL CL B 584 mALA~B 451 -81.97 31.09 17.38 -81.86 30.54 16.56 -81.20 33.30 18.19 -80.90 33.90 19.22 -80.89 31.81 18.02 -79.60 31.64 17.22 2 0 30.36-999 ?-999 ?-999 ? CL CL B 584 mARG~B 452 -81.81 33.89 17.16 -82.01 33.29 16.39 -83.28 35.56 18.18 -83.39 36.65 18.75 -82.15 35.30 17.20 -82.57 35.78 15.81 2 0 29.66-999 ?-999 ?-999 ? CL CL B 584 mGLY~B 453 -84.13 34.55 18.37 -83.93 33.73 17.84 -84.76 34.62 20.72 -85.25 35.36 21.58 -85.25 34.67 19.29-999.99-999.99-999.99 1 0 29.43-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 454 -83.79 33.75 20.97 -83.51 33.22 20.16 -82.13 34.65 22.47 -81.64 34.86 23.57 -83.18 33.57 22.28 -82.47 32.23 22.36 3 0 26.89-999 ?-999 ?-999 ? CL CL B 584 mGLN~B 455 -81.79 35.30 21.37 -82.29 35.02 20.55 -79.47 35.73 21.87 -78.60 36.45 22.34 -80.78 36.34 21.37 -81.19 37.49 22.27 2 0 25.29-999 ?-999 ?-999 ? CL CL B 584 mSER.B 456 -79.36 34.41 21.77 -80.16 33.95 21.38 -77.37 33.24 20.98 -77.65 33.62 19.84 -78.15 33.73 22.19 -78.48 32.55 23.09 2 0 25.33-999 ?-999 ?-999 ? CL CL B 584 mGLY~B 457 -76.38 32.39 21.23 -76.26 32.16 22.19 -76.16 30.68 19.46 -77.31 30.31 19.72 -75.55 31.87 20.16-999.99-999.99-999.99 1 0 27.62-999 ?-999 ?-999 ? CL CL B 584 mLYS~B 458 -75.39 30.07 18.58 -74.48 30.46 18.47 -76.06 27.72 18.77 -76.93 26.87 18.52 -75.87 28.91 17.84 -74.90 28.56 16.71 2 0 30.54-999 ?-999 ?-999 ? CO CO B 601 mGLU~B 459 -75.27 27.64 19.83 -74.61 28.39 19.92 -76.74 26.52 21.49 -77.48 25.54 21.41 -75.39 26.53 20.78 -74.26 26.58 21.82 2 0 27.54-999 ?-999 ?-999 ? CO CO B 601 mALA~B 460 -77.05 27.61 22.18 -76.35 28.33 22.16 -79.46 27.37 21.98 -80.40 26.67 22.39 -78.30 27.73 22.89 -78.47 29.13 23.41 2 0 28.26-999 ?-999 ?-999 ? CO CO B 601 mALA~B 461 -79.40 27.84 20.74 -78.58 28.38 20.54 -80.62 26.09 19.50 -81.71 25.53 19.64 -80.46 27.58 19.76 -80.16 28.31 18.47 2 0 31.53-999 ?-999 ?-999 ? CL CL B 584 mARG~B 462 -79.51 25.46 19.12 -78.71 26.05 19.05 -80.08 23.26 20.00 -80.89 22.35 19.83 -79.49 24.03 18.83 -78.04 23.60 18.57 2 0 31.42-999 ?-999 ?-999 ? CO CO B 601 mASN~B 463 -79.67 23.65 21.21 -79.01 24.40 21.19 -81.67 23.19 22.50 -82.40 22.21 22.67 -80.15 23.03 22.43 -79.48 23.69 23.63 2 0 28.23-999 ?-999 ?-999 ? CO CO D 601 mALA~B 464 -82.14 24.42 22.38 -81.44 25.13 22.26 -84.27 23.77 21.43 -85.15 23.00 21.81 -83.56 24.69 22.42 -83.83 26.15 22.06 2 0 28.78-999 ?-999 ?-999 ? CO CO D 601 mLEU~B 465 -83.86 23.82 20.17 -83.12 24.48 20.00 -84.52 21.50 19.51 -85.54 20.85 19.33 -84.46 22.98 19.13 -83.71 23.15 17.81 3 0 29.69-999 ?-999 ?-999 ? CO CO D 601 mGLU~B 466 -83.41 20.98 20.01 -82.64 21.61 20.09 -84.45 19.29 21.43 -85.16 18.28 21.34 -83.35 19.58 20.42 -81.99 19.25 21.03 2 0 26.65-999 ?-999 ?-999 ? CO CO D 601 mALA~B 467 -84.58 20.17 22.42 -83.93 20.93 22.38 -86.97 20.09 22.83 -87.88 19.34 23.20 -85.58 20.02 23.45 -85.43 21.11 24.48 2 0 24.44-999 ?-999 ?-999 ? CO CO D 601 mALA~B 468 -87.11 21.00 21.87 -86.28 21.53 21.69 -88.75 19.95 20.42 -89.86 19.45 20.55 -88.36 21.21 21.16 -88.21 22.36 20.19 2 0 26.84-999 ?-999 ?-999 ? CO CO D 601 mARG~B 469 -87.82 19.42 19.63 -86.94 19.90 19.61 -88.52 17.08 19.78 -89.36 16.25 19.43 -88.11 18.21 18.87 -86.91 17.78 18.05 2 0 26.71-999 ?-999 ?-999 ? CO CO D 601 mGLN~B 470 -87.92 17.05 20.97 -87.28 17.80 21.13 -89.47 16.20 22.73 -89.93 15.29 23.42 -88.19 16.00 21.94 -87.00 15.86 22.88 2 0 22.94-999 ?-999 ?-999 ? CO CO D 601 mTHR~B 471 -90.07 17.38 22.62 -89.61 18.04 22.03 -92.47 17.15 22.46 -92.46 17.30 21.24 -91.32 17.65 23.32 -91.50 19.14 23.58 2 0 23.14-999 ?-999 ?-999 ? CO CO D 601 mTHR^B 472 -93.46 16.55 23.11 -93.36 16.52 24.10 -95.96 16.55 22.83 -96.17 16.92 23.99 -94.60 16.00 22.40 -94.65 14.48 22.55 2 0 23.62-999 ?-999 ?-999 ? CO CO D 601 mVAL^B 473 -96.89 16.58 21.88 -96.56 16.27 20.99 -99.18 16.17 21.24 -98.88 15.91 20.08 -98.26 17.03 22.10 -98.46 18.49 21.71 3 0 25.72-999 ?-999 ?-999 ? CO CO D 601 mALA.B 474 -100.29 15.76 21.84-100.39 16.08 22.78-100.65 13.61 20.64-101.24 12.94 19.80-101.28 14.90 21.18-101.96 15.66 20.04 2 0 26.73-999 ?-999 ?-999 ? CO CO D 601 mGLY.B 475 -99.46 13.27 21.13 -99.07 13.91 21.80 -97.82 12.24 19.57 -97.32 11.27 19.00 -98.82 12.06 20.69-999.99-999.99-999.99 1 0 24.74-999 ?-999 ?-999 ? CO CO D 601 mALA^B 476 -97.54 13.50 19.24 -98.02 14.20 19.76 -95.68 14.93 18.57 -96.10 15.86 19.27 -96.58 13.77 18.18 -97.30 14.07 16.88 2 0 26.61-999 ?-999 ?-999 ? CO CO D 601 mPRO^B 477 -94.43 14.90 18.09 -94.22 14.11 17.52 -94.00 17.37 18.10 -94.78 17.58 17.17 -93.48 15.97 18.40 -92.25 15.58 17.58 3 0 26.55-999 ?-999 ?-999 ? CO CO D 601 mLEU.B 478 -93.57 18.33 18.91 -92.96 18.01 19.64 -93.70 20.20 17.34 -94.57 20.72 16.66 -93.98 19.72 18.75 -93.22 20.61 19.73 3 0 28.43-999 ?-999 ?-999 ? CO CO D 601 mILE^B 479 -92.46 20.01 16.90 -91.85 19.56 17.54 -91.70 19.23 14.73 -91.29 18.19 15.26 -92.07 20.44 15.58 -90.88 21.38 15.68 3 0 31.01-999 ?-999 ?-999 ? CO CO D 601 mILE^B 480 -91.86 19.36 13.41 -92.21 20.26 13.14 -90.55 18.84 11.44 -90.59 20.02 11.10 -91.55 18.29 12.46 -92.86 17.80 11.74 3 0 32.45-999 ?-999 ?-999 ? CO CO D 601 mALA^B 481 -89.64 18.00 10.97 -89.70 17.07 11.33 -89.18 18.40 8.56 -90.00 17.55 8.22 -88.65 18.43 10.00 -87.39 17.58 10.11 2 0 34.47-999 ?-999 ?-999 ? CO CO D 601 mHIS^B 482 -88.71 19.34 7.74 -88.06 19.96 8.19 -87.83 19.91 5.57 -87.46 21.09 5.63 -89.08 19.46 6.32 -90.16 20.52 6.14 3 0 38.23-999 ?-999 ?-999 ? CO CO D 601 mASP.B 483 -87.18 19.00 4.86 -87.61 18.10 4.86 -84.91 19.77 5.16 -84.41 18.95 5.94 -85.94 19.32 4.14 -86.17 20.41 3.09 2 0 40.15-999 ?-999 ?-999 ? CO CO D 601 mGLY.B 484 -84.58 21.05 5.18 -85.05 21.63 4.51 -84.20 22.51 7.13 -83.49 23.34 7.70 -83.60 21.52 6.15-999.99-999.99-999.99 1 0 39.50-999 ?-999 ?-999 ? CO CO D 601 mVAL^B 485 -85.50 22.41 7.33 -85.95 21.67 6.82 -87.28 22.62 9.09 -87.89 21.63 8.68 -86.21 23.32 8.23 -86.86 24.46 7.40 3 0 38.43-999 ?-999 ?-999 ? CO CO D 601 mTRP^B 486 -87.49 23.14 10.30 -86.90 23.92 10.51 -89.72 23.48 11.15 -89.63 24.69 10.97 -88.48 22.60 11.22 -87.94 22.60 12.65 3 0 35.52-999 ?-999 ?-999 ? CO CO D 601 mLEU^B 487 -90.89 22.87 11.29 -90.84 21.87 11.40 -93.14 22.99 12.21 -93.07 21.81 12.52 -92.12 23.63 11.27 -92.63 23.75 9.82 3 0 36.33-999 ?-999 ?-999 ? CO CO D 601 mLEU^B 488 -94.08 23.80 12.69 -94.01 24.74 12.36 -95.83 22.11 13.13 -96.29 22.07 11.99 -95.10 23.35 13.62 -96.09 24.48 13.85 3 0 34.80-999 ?-999 ?-999 ? CO CO D 601 mGLY~B 489 -95.94 21.09 13.98 -95.53 21.25 14.88 -98.14 19.99 13.53 -98.73 20.80 14.24 -96.62 19.86 13.60-999.99-999.99-999.99 1 0 33.26-999 ?-999 ?-999 ? CO CO D 601 mASN~B 490 -98.77 19.20 12.67 -98.17 18.57 12.17-100.96 19.23 13.83-101.98 19.90 14.01-100.23 19.26 12.50-100.72 18.10 11.63 2 0 35.00-999 ?-999 ?-999 ? CO CO D 601 mALA~B 491 -100.42 18.46 14.77 -99.59 17.98 14.49-101.38 19.71 16.66-102.53 19.96 17.01-101.01 18.34 16.09-100.03 17.64 17.03 2 0 32.04-999 ?-999 ?-999 ? CO CO D 601 mCYH~B 492 -100.39 20.59 16.73 -99.52 20.25 16.38-101.35 22.83 16.33-102.15 23.67 16.77-100.58 21.93 17.26 -99.23 22.56 17.58 2 0 32.90-999 ?-999 ?-999 ? CO CO D 601 mARG~B 493 -101.11 22.68 15.04-100.43 21.98 14.81-103.32 23.36 14.27-104.02 24.36 14.41-101.81 23.48 14.06-101.43 23.04 12.64 2 0 36.59-999 ?-999 ?-999 ? CO CO D 601 mGLU~B 494 -103.81 22.13 14.32-103.14 21.39 14.21-105.76 22.62 15.77-106.89 23.11 15.79-105.24 21.91 14.53-105.54 20.41 14.63 2 0 36.88-999 ?-999 ?-999 ? CO CO D 601 mILE~B 495 -104.92 22.68 16.80-104.04 22.25 16.63-105.35 24.84 17.92-106.31 25.48 18.35-105.28 23.32 18.07-104.24 22.98 19.18 3 0 35.28-999 ?-999 ?-999 ? CO CO D 601 mLEU~B 496 -104.32 25.40 17.29-103.62 24.75 17.00-105.27 27.36 16.08-105.73 28.50 16.19-104.22 26.84 17.06-102.81 27.18 16.57 3 0 37.56-999 ?-999 ?-999 ? CO CO D 601 mARG~B 497 -105.65 26.54 15.10-105.20 25.65 15.10-107.96 27.39 14.80-108.77 28.08 14.18-106.65 26.97 14.14-106.94 25.84 13.14 2 0 40.64-999 ?-999 ?-999 ? CO CO D 601 mLYS.B 498 -108.18 26.97 16.05-107.44 26.42 16.43-109.43 28.72 17.33-110.45 29.18 17.84-109.41 27.30 16.77-109.64 26.31 17.92 2 0 40.58-999 ?-999 ?-999 ? CO CO D 601 mVAL.B 499 -108.29 29.41 17.22-107.54 28.91 16.78-108.96 31.66 16.75-108.75 31.60 15.54-108.18 30.77 17.71-106.71 31.27 17.74 3 0 41.63-999 ?-999 ?-999 ? CO CO D 601 mGLU.B 500 -109.86 32.47 17.30-109.93 32.41 18.29-109.71 34.33 15.75-109.09 35.19 16.38-110.65 33.37 16.47-111.65 34.13 17.33 2 0 45.28-999 ?-999 ?-999 ? CO CO D 601 mPRO.B 501 -109.61 34.21 14.42-110.18 33.49 14.03-108.88 36.57 13.88-109.96 37.15 13.74-108.73 35.07 13.61-109.10 34.69 12.18 3 0 47.11-999 ?-999 ?-999 ? CO CO D 601 mSER.B 502 -107.77 37.20 14.25-106.97 36.59 14.32-106.26 39.04 14.61-105.37 38.19 14.61-107.72 38.63 14.53-108.45 38.93 15.85 2 0 45.63-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 503 -105.97 40.36 14.68-106.76 40.98 14.68-103.89 40.18 15.99-104.54 39.97 17.02-104.57 40.78 14.76-104.67 42.29 14.84 3 0 42.66-999 ?-999 ?-999 ? CL CL B 584 mPHE.B 504 -102.60 39.90 15.87-102.23 40.12 14.97-102.01 37.81 17.11-101.15 37.12 17.66-101.79 39.31 16.95-102.09 40.01 18.29 3 0 39.51-999 ?-999 ?-999 ? CL CL B 584 mSER.B 505 -103.16 37.32 16.65-103.77 38.00 16.24-102.38 35.08 16.09-101.79 35.48 15.08-103.49 35.90 16.74-104.82 35.60 16.05 2 0 41.81-999 ?-999 ?-999 ? CL CL B 584 mPRO.B 506 -102.08 33.90 16.67-102.64 33.70 17.47-101.40 32.27 14.90-102.54 32.29 14.46-101.04 33.00 16.18-100.86 32.04 17.35 3 0 41.13-999 ?-999 ?-999 ? CO CO D 601 mVAL.B 507 -100.39 31.61 14.33 -99.53 31.71 14.84-101.39 31.44 12.02-102.29 30.78 11.49-100.49 30.83 13.10-100.97 29.38 13.38 3 0 41.38-999 ?-999 ?-999 ? CO CO D 601 mARG.B 508 -101.13 32.70 11.68-100.38 33.14 12.17-101.49 32.90 9.27-102.25 33.00 8.30-101.93 33.35 10.66-101.84 34.87 10.78 2 0 45.16-999 ?-999 ?-999 ? CO CO D 601 mTYR.B 509 -100.26 32.40 9.18 -99.76 32.35 10.03-100.44 30.67 7.40-100.20 30.23 6.28 -99.75 31.94 7.89 -98.24 31.70 7.98 3 0 45.52-999 ?-999 ?-999 ? CO CO D 601 mLEU.B 510 -101.30 30.08 8.23-101.40 30.54 9.12-103.32 29.30 7.14-104.42 28.82 7.47-102.03 28.87 7.84-102.36 28.02 9.06 3 0 44.35-999 ?-999 ?-999 ? CO CO D 601 mSER.B 511 -103.17 30.19 6.17-102.22 30.45 6.01-104.15 30.53 3.92-103.13 30.04 3.44-104.30 30.74 5.43-104.43 32.23 5.74 2 0 47.98-999 ?-999 ?-999 ? CO CO D 601 mTHR.B 512 -105.19 30.91 3.19-105.95 31.27 3.73-104.96 32.21 1.16-104.88 32.39 -0.05-105.21 30.80 1.75-106.57 30.22 1.27 2 0 51.09-999 ?-999 ?-999 ? CO CO D 601 mASP~B 513 -104.83 33.19 2.06-104.93 32.86 3.00-103.31 34.77 0.88-102.29 34.15 1.16-104.59 34.59 1.72-104.47 35.40 3.02 2 0 53.08-999 ?-999 ?-999 ? CO CO D 601 mGLN~B 514 -103.37 35.63 -0.14-104.25 36.09 -0.25-101.03 36.48 -0.29 -99.88 36.16 -0.59-102.21 35.86 -1.01-102.61 36.72 -2.21 2 0 53.69-999 ?-999 ?-999 ? CL CL B 584 mALA~B 515 -101.33 37.38 0.64-102.31 37.53 0.75 -99.56 37.10 2.29 -98.33 37.10 2.36-100.32 38.08 1.42-100.97 39.15 2.28 2 0 50.20-999 ?-999 ?-999 ? CL CL B 584 mGLU~B 516 -100.32 36.25 2.98-101.30 36.36 2.84 -98.89 34.27 3.07 -97.74 34.03 3.40 -99.74 35.25 3.86-100.84 34.50 4.62 2 0 48.62-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 517 -99.48 33.69 2.03-100.43 33.97 1.87 -97.46 33.33 0.68 -96.42 32.68 0.70 -98.77 32.74 1.19 -99.66 32.31 0.02 3 0 50.80-999 ?-999 ?-999 ? CO CO D 601 mTHR~B 518 -97.52 34.58 0.23 -98.43 34.99 0.27 -95.26 35.40 0.79 -94.11 34.99 0.58 -96.34 35.29 -0.29 -96.71 36.72 -0.81 2 0 50.24-999 ?-999 ?-999 ? CL CL B 584 mASN~B 519 -95.63 35.95 1.95 -96.58 36.24 1.99 -94.00 34.79 3.36 -92.79 34.75 3.60 -94.69 36.10 3.06 -95.41 36.56 4.32 2 0 46.43-999 ?-999 ?-999 ? CL CL B 584 mALA~B 520 -94.77 33.70 3.36 -95.73 33.87 3.16 -93.19 32.03 2.58 -92.03 31.77 2.88 -94.21 32.39 3.64 -95.32 31.35 3.69 2 0 46.86-999 ?-999 ?-999 ? CL CL B 584 mALA~B 521 -93.62 32.04 1.32 -94.59 32.29 1.23 -91.51 32.62 0.18 -90.39 32.16 -0.06 -92.74 31.72 0.20 -93.51 31.86 -1.11 2 0 49.32-999 ?-999 ?-999 ? CL CL B 584 mMETB 522 -91.71 33.91 0.46 -92.66 34.15 0.65 -89.61 34.54 1.56 -88.40 34.59 1.34 -90.61 34.86 0.46 -91.16 36.28 0.63 2 0 47.27-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 523 -90.11 34.19 2.74 -91.11 34.19 2.79 -88.30 32.72 3.47 -87.10 32.77 3.74 -89.24 33.86 3.86 -90.07 33.44 5.07 3 0 44.09-999 ?-999 ?-999 ? CL CL B 584 mTRP~B 524 -88.86 31.70 2.83 -89.84 31.81 2.66 -86.98 30.87 1.40 -85.83 30.50 1.60 -88.09 30.53 2.40 -89.04 29.51 1.78 3 0 46.15-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 525 -87.35 31.56 0.32 -88.32 31.79 0.31 -85.27 32.83 -0.23 -84.13 32.74 -0.71 -86.41 31.94 -0.73 -87.15 32.69 -1.85 3 0 47.85-999 ?-999 ?-999 ? CL CL B 584 mSER~B 526 -85.58 33.69 0.73 -86.54 33.67 1.02 -83.78 33.99 2.41 -82.75 34.55 2.80 -84.58 34.60 1.27 -85.25 35.90 1.73 2 0 44.66-999 ?-999 ?-999 ? CL CL B 584 mGLU~B 527 -84.22 32.85 2.94 -85.06 32.50 2.52 -83.05 30.79 3.75 -81.89 30.46 3.97 -83.50 32.22 4.04 -84.36 32.23 5.30 2 0 42.71-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 528 -83.96 29.97 3.26 -84.87 30.38 3.13 -82.92 28.44 1.62 -81.70 28.25 1.58 -83.65 28.58 2.95 -84.92 27.73 2.88 3 0 45.20-999 ?-999 ?-999 ? CL CL B 584 mGLY.B 529 -83.67 28.53 0.53 -84.64 28.68 0.69 -84.12 28.41 -1.90 -85.13 29.12 -1.83 -83.08 28.41 -0.80-999.99-999.99-999.99 1 0 48.42-999 ?-999 ?-999 ? CL CL B 584 mASP.B 530 -83.88 27.62 -2.94 -83.02 27.10 -2.87 -86.13 26.95 -3.63 -86.27 25.74 -3.47 -84.79 27.53 -4.07 -84.18 26.68 -5.18 2 0 51.22-999 ?-999 ?-999 ? CO CO D 601 mLEU.B 531 -87.10 27.83 -3.44 -86.83 28.78 -3.61 -89.13 26.49 -3.98 -89.35 26.83 -5.14 -88.44 27.44 -3.02 -89.30 28.70 -2.86 3 0 50.19-999 ?-999 ?-999 ? CO CO D 601 mALA~B 532 -89.48 25.29 -3.52 -89.23 25.10 -2.57 -91.67 24.53 -4.09 -92.06 24.85 -2.97 -90.19 24.37 -4.39 -89.74 22.95 -4.15 2 0 50.05-999 ?-999 ?-999 ? CO CO D 601 mTHR~B 533 -92.50 24.33 -5.10 -92.05 24.08 -5.96 -94.44 23.62 -3.78 -95.32 24.03 -3.03 -93.93 24.47 -4.94 -94.65 24.07 -6.24 2 0 50.92-999 ?-999 ?-999 ? CO CO D 601 mSER~B 534 -93.86 22.43 -3.66 -93.16 22.26 -4.35 -94.02 22.07 -1.21 -94.91 21.98 -0.36 -94.20 21.47 -2.61 -93.31 20.23 -2.75 2 0 47.62-999 ?-999 ?-999 ? CO CO D 601 mASP~B 535 -92.86 22.67 -0.98 -92.23 22.67 -1.75 -93.58 24.33 0.72 -93.94 24.41 1.89 -92.54 23.29 0.30 -91.16 23.95 0.26 2 0 45.56-999 ?-999 ?-999 ? CO CO D 601 mLEU~B 536 -94.06 25.13 -0.23 -93.70 24.95 -1.15 -96.34 25.55 0.60 -97.03 26.15 1.42 -95.05 26.17 0.09 -95.32 27.04 -1.15 3 0 47.44-999 ?-999 ?-999 ? CO CO D 601 mMETB 537 -96.67 24.36 0.12 -96.02 23.97 -0.54 -97.78 23.30 2.03 -98.72 23.49 2.80 -97.88 23.69 0.56 -98.12 22.42 -0.23 2 0 46.40-999 ?-999 ?-999 ? CO CO D 601 mALA~B 538 -96.64 22.73 2.40 -95.96 22.63 1.66 -96.33 23.49 4.73 -96.74 23.38 5.88 -96.41 22.30 3.77 -95.14 21.48 3.85 2 0 42.68-999 ?-999 ?-999 ? CO CO D 601 mMETB 539 -95.82 24.61 4.24 -95.54 24.57 3.29 -97.04 26.37 5.53 -97.25 26.63 6.71 -95.70 25.80 5.08 -94.90 26.89 4.37 2 0 43.15-999 ?-999 ?-999 ? CO CO D 601 mCYH~B 540 -97.95 26.59 4.58 -97.66 26.32 3.66-100.38 26.14 4.94-101.52 26.46 5.28 -99.25 27.17 4.90 -99.58 28.26 3.88 2 0 44.84-999 ?-999 ?-999 ? CO CO D 601 mGLY~B 541 -100.04 24.89 4.61 -99.08 24.76 4.37-102.15 24.16 3.65-103.32 24.20 4.04-101.03 23.82 4.60-999.99-999.99-999.99 1 0 43.88-999 ?-999 ?-999 ? CO CO D 601 mVAL.B 542 -101.79 24.42 2.39-100.81 24.34 2.23-102.70 23.84 0.15-101.76 23.04 0.01-102.75 24.78 1.36-102.53 26.25 0.88 3 0 47.54-999 ?-999 ?-999 ? CO CO D 601 mSER~B 543 -103.71 23.94 -0.71-104.38 24.64 -0.45-102.70 23.40 -2.90-102.17 24.50 -2.95-103.84 23.13 -1.92-105.17 23.44 -2.63 2 0 49.94-999 ?-999 ?-999 ? CO CO D 601 mARG~B 544 -102.33 22.39 -3.69-102.82 21.53 -3.55-101.66 23.74 -5.57-100.83 24.55 -5.97-101.26 22.59 -4.66-101.04 21.33 -5.51 2 0 51.34-999 ?-999 ?-999 ? CO CO D 601 mGLY~B 545 -102.96 23.80 -5.88-103.52 23.07 -5.48-103.35 26.21 -6.07-103.08 27.21 -6.75-103.48 24.85 -6.73-999.99-999.99-999.99 1 0 54.66-999 ?-999 ?-999 ? CO CO D 601 mTHR~B 546 -103.53 26.24 -4.76-103.74 25.35 -4.35-101.98 27.92 -3.90-101.69 29.12 -3.85-103.43 27.48 -3.99-103.98 27.29 -2.56 2 0 53.45-999 ?-999 ?-999 ? CO CO D 601 mALA~B 547 -101.07 26.96 -3.89-101.44 26.03 -3.94 -99.12 27.73 -5.16 -98.44 28.76 -5.25 -99.64 27.26 -3.81 -98.87 26.03 -3.36 2 0 52.19-999 ?-999 ?-999 ? CO CO D 601 mLYS~B 548 -99.44 26.99 -6.22-100.00 26.18 -5.99 -99.37 28.77 -7.88 -98.56 29.52 -8.43 -99.02 27.32 -7.58 -99.72 26.40 -8.59 2 0 55.34-999 ?-999 ?-999 ? CO CO D 601 mALA~B 549 -100.59 29.16 -7.51-101.13 28.44 -7.08-100.07 31.54 -7.21 -99.63 32.40 -7.96-101.08 30.51 -7.70-102.41 30.69 -6.98 2 0 57.38-999 ?-999 ?-999 ? CO CO D 601 mCYH~B 550 -99.70 31.44 -5.94-100.12 30.69 -5.43 -97.43 32.36 -6.11 -96.88 33.41 -6.46 -98.75 32.38 -5.36 -98.50 32.06 -3.88 2 0 55.86-999 ?-999 ?-999 ? CO CO D 601 mVAL~B 551 -96.92 31.16 -6.36 -97.47 30.39 -6.02 -95.69 31.74 -8.39 -94.86 32.61 -8.64 -95.65 30.99 -7.07 -95.38 29.49 -7.36 3 0 56.04-999 ?-999 ?-999 ? CO CO D 601 mASP~B 552 -96.68 31.39 -9.21 -97.26 30.66 -8.85 -96.82 33.51 -10.42 -96.05 34.16 -11.14 -96.88 32.00 -10.52 -98.23 31.56 -11.09 2 0 59.68-999 ?-999 ?-999 ? CO CO D 601 mGLY~B 553 -97.63 34.07 -9.52 -98.19 33.42 -9.01 -96.28 36.10 -9.06 -95.98 37.21 -9.48 -97.66 35.51 -9.33-999.99-999.99-999.99 1 0 58.55-999 ?-999 ?-999 ? CL CL B 584 mLEU~B 554 -95.46 35.33 -8.35 -95.85 34.46 -8.06 -93.26 35.69 -9.31 -92.21 36.33 -9.41 -94.10 35.75 -8.04 -93.50 34.86 -6.96 3 0 55.91-999 ?-999 ?-999 ? CL CL B 584 mVAL~B 555 -93.72 34.91 -10.28 -94.57 34.43 -10.07 -93.41 35.97 -12.44 -92.56 36.59 -13.08 -93.00 34.79 -11.55 -93.34 33.46 -12.27 3 0 58.90-999 ?-999 ?-999 ? CL CL B 584 mASP~B 556 -94.71 36.27 -12.46 -95.26 35.67 -11.88 -94.72 38.74 -12.82 -94.69 39.67 -13.63 -95.28 37.37 -13.24 -96.80 37.37 -13.11 2 0 60.71-999 ?-999 ?-999 ? CL CL B 584 mGLU~B 557 -94.31 38.88 -11.56 -94.42 38.06 -11.00 -92.24 40.09 -11.18 -91.55 41.01 -10.75 -93.76 40.14 -11.06 -94.15 40.37 -9.60 2 0 57.71-999 ?-999 ?-999 ? CL CL B 584 mGLU.B 558 -91.74 39.01 -11.77 -92.43 38.35 -12.06 -89.50 38.92 -10.69 -88.42 39.53 -10.66 -90.30 38.82 -11.96 -89.76 39.82 -12.97 2 0 57.59-999 ?-999 ?-999 ? CL CL B 584 mARG.B 559 -90.03 38.31 -9.63 -90.92 37.88 -9.83 -88.47 37.05 -8.30 -87.35 37.10 -7.80 -89.39 38.27 -8.32 -90.45 38.13 -7.22 2 0 54.00-999 ?-999 ?-999 ? CL CL B 584 mVAL^B 560 -88.99 35.95 -8.86 -89.92 36.09 -9.21 -88.37 34.14 -10.38 -89.17 34.61 -11.19 -88.29 34.68 -8.96 -88.91 33.61 -8.02 3 0 55.06-999 ?-999 ?-999 ? CL CL B 584 mVAL^B 561 -87.56 33.13 -10.68 -86.97 32.84 -9.92 -87.43 31.00 -11.90 -86.67 30.48 -11.09 -87.54 32.53 -12.01 -86.35 33.08 -12.84 3 0 58.25-999 ?-999 ?-999 ? CL CL B 584 mALA^B 562 -88.21 30.30 -12.73 -88.78 30.87 -13.32 -86.82 28.26 -13.02 -85.98 28.93 -13.63 -88.22 28.84 -12.75 -89.21 28.35 -13.79 2 0 59.46-999 ?-999 ?-999 ? CO CO D 601 mVAL^B 563 -86.58 27.03 -12.57 -87.36 26.63 -12.10 -85.46 24.82 -12.62 -85.98 24.35 -11.61 -85.30 26.34 -12.76 -84.24 26.84 -11.74 3 0 58.47-999 ?-999 ?-999 ? CO CO D 601 mGLY.B 564 -85.01 24.06 -13.62 -84.59 24.56 -14.38 -86.52 22.20 -14.08 -87.37 23.06 -14.33 -85.15 22.61 -13.58-999.99-999.99-999.99 1 0 57.84-999 ?-999 ?-999 ? CO CO D 601 mGLY~B 565 -86.76 20.90 -14.21 -86.00 20.29 -13.97 -88.51 19.14 -14.02 -87.68 18.39 -13.51 -88.06 20.43 -14.68-999.99-999.99-999.99 1 0 58.13-999 ?-999 ?-999 ? CO CO D 601 mGLY~B 566 -89.82 18.88 -14.02 -90.38 19.56 -14.47 -90.50 17.81 -11.89 -90.87 18.88 -11.41 -90.33 17.67 -13.40-999.99-999.99-999.99 1 0 56.18-999 ?-999 ?-999 ? CO CO D 601 mARG~B 567 -90.25 16.73 -11.15 -89.98 15.92 -11.68 -89.16 17.49 -9.08 -89.01 17.55 -7.85 -90.35 16.75 -9.69 -90.40 15.33 -9.11 2 0 52.37-999 ?-999 ?-999 ? CO CO D 601 mSER~B 568 -88.31 18.03 -9.94 -88.55 17.89 -10.90 -87.17 20.22 -9.99 -86.13 20.80 -10.32 -87.12 18.77 -9.51 -85.85 18.07 -10.02 2 0 52.70-999 ?-999 ?-999 ? CO CO D 601 mARG~B 569 -88.37 20.79 -10.02 -89.11 20.19 -9.74 -88.92 23.10 -9.27 -90.01 23.02 -8.70 -88.57 22.18 -10.44 -89.66 22.29 -11.52 2 0 54.71-999 ?-999 ?-999 ? CO CO D 601 mARG^B 570 -87.99 23.98 -8.93 -87.16 23.94 -9.48 -88.13 26.34 -8.39 -88.28 26.53 -9.59 -88.18 24.92 -7.83 -87.08 24.71 -6.78 2 0 53.34-999 ?-999 ?-999 ? CO CO D 601 mTYR^B 571 -87.91 27.32 -7.53 -87.79 27.03 -6.58 -86.83 29.48 -7.14 -86.70 29.26 -5.93 -87.86 28.71 -7.96 -89.24 29.35 -7.80 3 0 55.13-999 ?-999 ?-999 ? CO CO D 601 mARG^B 572 -86.10 30.38 -7.78 -86.31 30.47 -8.76 -85.21 32.63 -7.39 -85.14 33.04 -8.54 -85.08 31.15 -7.09 -83.70 30.66 -7.50 2 0 53.53-999 ?-999 ?-999 ? CL CL B 584 mLEU^B 573 -85.40 33.43 -6.34 -85.42 32.98 -5.45 -84.35 35.51 -7.20 -83.29 34.91 -7.35 -85.56 34.85 -6.55 -85.90 35.56 -5.24 3 0 52.06-999 ?-999 ?-999 ? CL CL B 584 mVAL.B 574 -84.55 36.77 -7.59 -85.46 37.12 -7.38 -83.12 38.77 -7.41 -82.76 38.63 -6.23 -83.53 37.56 -8.25 -84.06 38.04 -9.60 3 0 52.56-999 ?-999 ?-999 ? CL CL B 584 mGLU~C 9 -77.88 -22.59 81.03 -78.22 -22.02 81.77 -75.87 -23.76 80.07 -75.16 -23.11 80.85 -77.36 -23.44 79.92 -77.61 -22.75 78.57 2 0 19.26-999 ?-999 ?-999 ? CL CL C 584 mGLY~C 10 -75.41 -24.78 79.33 -76.10 -25.22 78.76 -73.09 -24.21 78.67 -71.86 -24.38 78.68 -74.01 -25.19 79.38-999.99-999.99-999.99 1 0 22.28-999 ?-999 ?-999 ? CL CL C 584 mARG~C 11 -73.69 -23.20 78.06 -74.69 -23.21 78.14 -72.44 -21.10 78.29 -71.29 -20.69 78.19 -72.96 -22.17 77.35 -73.83 -21.49 76.31 2 0 20.22-999 ?-999 ?-999 ? CO CO C 601 mARG~C 12 -73.31 -20.63 79.18 -74.23 -21.02 79.14 -71.59 -20.06 80.78 -70.70 -19.25 81.03 -72.89 -19.61 80.11 -73.96 -19.35 81.17 2 0 19.21-999 ?-999 ?-999 ? CO CO C 601 mGLU~C 13 -71.46 -21.35 81.04 -72.24 -21.92 80.77 -69.08 -21.70 80.71 -67.99 -21.27 81.11 -70.25 -21.86 81.66 -70.45 -23.32 82.04 2 0 21.07-999 ?-999 ?-999 ? CO CO C 601 mGLN~C 14 -69.31 -22.04 79.45 -70.23 -22.37 79.29 -67.87 -20.47 78.20 -66.68 -20.17 78.03 -68.29 -21.93 78.40 -68.88 -22.51 77.11 2 0 19.28-999 ?-999 ?-999 ? CO CO C 601 mLEU~C 15 -68.86 -19.58 78.23 -69.77 -19.99 78.37 -67.75 -17.64 79.19 -66.71 -17.04 78.93 -68.64 -18.15 78.07 -69.99 -17.43 78.06 3 0 15.84-999 ?-999 ?-999 ? CO CO C 601 mILE~C 16 -68.16 -17.87 80.43 -69.03 -18.36 80.49 -65.94 -17.92 81.46 -65.01 -17.17 81.76 -67.39 -17.46 81.59 -67.95 -18.06 82.87 3 0 17.10-999 ?-999 ?-999 ? CO CO C 601 mALA~C 17 -65.76 -19.15 81.00 -66.59 -19.65 80.79 -63.62 -18.80 79.91 -62.51 -18.36 80.22 -64.41 -19.69 80.85 -64.46 -21.10 80.30 2 0 18.41-999 ?-999 ?-999 ? CO CO C 601 mGLN~C 18 -64.21 -18.52 78.75 -65.11 -18.95 78.62 -63.11 -16.34 78.36 -61.97 -15.92 78.15 -63.57 -17.67 77.76 -64.53 -17.41 76.61 2 0 15.19-999 ?-999 ?-999 ? CO CO C 601 mVAL~C 19 -64.00 -15.70 79.11 -64.89 -16.16 79.19 -62.55 -14.67 80.74 -61.63 -13.87 80.82 -63.68 -14.44 79.75 -64.91 -13.84 80.46 3 0 13.73-999 ?-999 ?-999 ? CO CO C 601 mGLU~C 20 -62.59 -15.77 81.48 -63.39 -16.36 81.33 -60.20 -16.17 81.69 -59.20 -15.60 82.12 -61.52 -16.05 82.43 -61.79 -17.34 83.19 2 0 17.13-999 ?-999 ?-999 ? CO CO C 601 mSER~C 21 -60.19 -16.92 80.60 -61.08 -17.34 80.37 -58.36 -15.80 79.39 -57.15 -15.60 79.55 -58.99 -17.11 79.80 -59.30 -17.87 78.53 2 0 17.10-999 ?-999 ?-999 ? CO CO C 601 mILE~C 22 -59.19 -14.91 78.83 -60.14 -15.22 78.76 -58.15 -12.79 79.49 -57.07 -12.22 79.36 -58.72 -13.61 78.36 -59.85 -12.82 77.67 3 0 13.97-999 ?-999 ?-999 ? CO CO C 601 mLEU~C 23 -58.86 -12.74 80.61 -59.72 -13.24 80.61 -57.06 -12.60 82.23 -56.13 -11.89 82.62 -58.36 -11.98 81.74 -59.37 -11.97 82.88 3 0 15.42-999 ?-999 ?-999 ? CO CO C 601 mALA~C 24 -56.97 -13.92 82.18 -57.78 -14.38 81.82 -54.50 -14.17 81.89 -53.41 -14.27 82.44 -55.77 -14.61 82.63 -55.96 -16.11 82.51 2 0 18.72-999 ?-999 ?-999 ? CO CO C 601 mSER~C 25 -54.64 -13.67 80.66 -55.59 -13.61 80.35 -53.04 -11.84 80.14 -52.11 -11.34 79.50 -53.49 -13.26 79.86 -53.82 -13.35 78.38 2 0 17.80-999 ?-999 ?-999 ? CO CO C 601 mALA.C 26 -53.72 -11.19 81.08 -54.45 -11.72 81.50 -51.91 -9.62 81.68 -51.30 -10.32 82.49 -53.40 -9.81 81.44 -54.18 -9.42 82.69 2 0 17.39-999 ?-999 ?-999 ? CO CO C 601 mALA.C 27 -51.32 -8.68 80.95 -51.93 -8.20 80.32 -49.53 -7.19 80.19 -49.90 -7.13 79.02 -49.90 -8.37 81.08 -49.06 -9.58 80.72 2 0 19.52-999 ?-999 ?-999 ? CO CO C 601 mASP.C 28 -48.80 -6.24 80.78 -48.59 -6.42 81.74 -49.51 -4.09 79.83 -49.61 -3.47 78.78 -48.36 -5.05 80.07 -47.73 -5.43 78.73 2 0 19.94-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 29 -50.38 -3.96 80.83 -50.19 -4.53 81.63 -52.54 -3.43 79.68 -53.33 -2.59 79.24 -51.51 -3.06 80.72-999.99-999.99-999.99 1 0 17.66-999 ?-999 ?-999 ? CO CO C 601 mARG.C 30 -52.57 -4.70 79.29 -51.89 -5.30 79.72 -53.71 -6.64 78.24 -52.83 -7.39 78.63 -53.53 -5.14 78.29 -53.12 -4.65 76.91 2 0 14.58-999 ?-999 ?-999 ? CO CO C 601 mVAL.C 31 -54.86 -7.05 77.73 -55.48 -6.32 77.45 -55.19 -8.83 76.11 -55.39 -7.98 75.25 -55.17 -8.46 77.59 -56.53 -8.79 78.18 3 0 13.41-999 ?-999 ?-999 ? CO CO C 601 mGLN.C 32 -54.99 -10.11 75.84 -54.83 -10.69 76.64 -56.01 -11.72 74.29 -56.34 -12.47 75.22 -54.99 -10.60 74.48 -53.60 -11.11 74.09 2 0 13.08-999 ?-999 ?-999 ? CO CO C 601 mLYS.C 33 -56.52 -11.81 73.06 -56.17 -11.13 72.42 -56.83 -14.03 72.09 -55.71 -13.94 71.60 -57.51 -12.82 72.71 -58.53 -12.25 71.72 2 0 12.00-999 ?-999 ?-999 ? CO CO C 601 mTHR.C 34 -57.51 -15.16 72.12 -58.42 -15.09 72.54 -58.05 -17.02 70.69 -59.23 -16.65 70.79 -56.97 -16.39 71.57 -56.56 -17.33 72.72 2 0 14.89-999 ?-999 ?-999 ? CO CO C 601 mLYS.C 35 -57.67 -17.95 69.82 -56.70 -18.18 69.85 -59.98 -18.96 69.55 -61.04 -18.83 68.93 -58.65 -18.57 68.91 -58.07 -19.82 68.26 2 0 15.91-999 ?-999 ?-999 ? CO CO C 601 mGLU.C 36 -59.89 -19.44 70.79 -58.96 -19.47 71.14 -61.87 -18.80 72.21 -62.97 -19.04 72.67 -61.05 -19.89 71.55 -60.60 -20.87 72.62 2 0 16.16-999 ?-999 ?-999 ? CO CO C 601 mTHR.C 37 -61.33 -17.59 72.25 -60.42 -17.51 71.83 -62.19 -15.31 71.94 -62.59 -14.23 72.35 -62.03 -16.49 72.88 -61.28 -16.01 74.13 2 0 12.81-999 ?-999 ?-999 ? CO CO C 601 mGLN.C 38 -61.87 -15.54 70.67 -61.57 -16.48 70.50 -63.25 -13.70 69.59 -63.22 -12.50 69.32 -61.94 -14.53 69.63 -61.72 -15.20 68.27 2 0 10.81-999 ?-999 ?-999 ? CO CO C 601 mSER.C 39 -64.37 -14.35 69.88 -64.24 -15.31 70.12 -66.05 -12.86 71.05 -66.98 -12.07 70.98 -65.68 -13.70 69.84 -66.77 -14.75 69.59 2 0 9.24-999 ?-999 ?-999 ? CO CO C 601 mVAL.C 40 -65.35 -13.04 72.17 -64.64 -13.74 72.11 -65.53 -10.78 72.94 -64.56 -10.37 72.31 -65.64 -12.25 73.36 -64.63 -12.54 74.49 3 0 8.25-999 ?-999 ?-999 ? CO CO C 601 mASP^C 41 -66.54 -10.00 73.30 -67.23 -10.49 73.84 -65.96 -7.60 73.93 -66.36 -7.47 75.08 -66.65 -8.58 72.96 -68.15 -8.25 72.90 2 0 -4.81-999 ?-999 ?-999 ? CO CO C 601s mPHE^C 42 -64.93 -6.88 73.48 -64.66 -7.06 72.53 -64.99 -4.53 74.26 -65.27 -4.06 73.17 -64.29 -5.90 74.37 -62.79 -5.73 74.03 3 0 -4.37-999 ?-999 ?-999 ? CO CO C 601s mLYS^C 43 -65.29 -3.90 75.38 -65.05 -4.37 76.23 -65.40 -1.62 76.34 -65.15 -1.98 77.49 -65.93 -2.59 75.31 -67.44 -2.73 75.45 2 0 5.13-999 ?-999 ?-999 ? CO CO C 601 mGLU.C 44 -65.23 -0.38 75.90 -65.49 -0.24 74.95 -65.81 1.63 77.19 -66.52 2.18 76.35 -64.71 0.67 76.75 -63.66 1.44 76.00 2 0 8.16-999 ?-999 ?-999 ? CO CO C 601 mGLU.C 45 -65.95 1.83 78.50 -65.32 1.33 79.09 -66.85 4.00 78.13 -65.74 4.50 77.95 -66.99 2.73 78.97 -66.79 3.04 80.46 2 0 11.15-999 ?-999 ?-999 ? CO CO C 601 mALA.C 46 -67.96 4.49 77.59 -68.79 3.97 77.79 -68.07 6.93 77.64 -68.64 6.85 78.72 -67.90 5.69 76.77 -69.00 5.64 75.71 2 0 12.11-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 47 -67.54 8.06 77.16 -67.07 7.97 76.29 -66.49 9.71 78.76 -66.54 10.74 79.46 -67.67 9.31 77.89-999.99-999.99-999.99 1 0 15.74-999 ?-999 ?-999 ? CO CO C 601 mARG.C 48 -65.42 8.92 78.70 -65.52 8.15 78.07 -62.99 9.53 78.68 -61.90 9.66 79.22 -64.23 9.17 79.49 -63.97 7.96 80.39 2 0 16.42-999 ?-999 ?-999 ? CO CO C 601 mARG^C 49 -63.17 9.71 77.37 -64.11 9.57 77.06 -61.87 11.58 76.40 -62.62 12.27 75.70 -62.06 10.07 76.50 -62.28 9.49 75.10 2 0 16.19-999 ?-999 ?-999 ? CO CO C 601 mASN^C 50 -60.85 12.07 77.10 -60.34 11.37 77.59 -59.24 13.69 76.29 -58.29 14.36 76.69 -60.50 13.50 77.14 -60.25 13.90 78.61 2 0 19.90-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 51 -59.24 13.08 75.11 -60.08 12.57 74.90 -57.00 12.21 74.59 -57.11 11.00 74.38 -58.11 13.18 74.21-999.99-999.99-999.99 1 0 19.64-999 ?-999 ?-999 ? CO CO C 601 mPRO.C 52 -55.90 12.74 75.17 -55.95 13.73 75.29 -54.97 11.15 76.89 -54.64 9.96 76.98 -54.75 11.93 75.59 -53.64 12.98 75.72 3 0 20.47-999 ?-999 ?-999 ? CO CO C 601 mGLN^C 53 -55.56 11.82 77.88 -55.79 12.76 77.64 -57.28 10.74 79.29 -58.15 11.22 78.58 -55.85 11.25 79.20 -55.62 12.31 80.28 2 0 20.57-999 ?-999 ?-999 ? CO CO C 601 mILE^C 54 -57.53 9.78 80.18 -56.75 9.47 80.71 -59.48 9.62 81.67 -58.92 9.28 82.71 -58.88 9.26 80.32 -58.89 7.76 80.15 3 0 18.26-999 ?-999 ?-999 ? CO CO C 601 mGLU.C 55 -60.63 10.29 81.67 -61.00 10.48 80.76 -61.61 9.54 83.82 -61.97 8.47 83.36 -61.25 10.70 82.92 -62.51 11.54 82.66 2 0 20.13-999 ?-999 ?-999 ? CO CO C 601 mPRO.C 56 -61.52 9.75 85.14 -61.22 10.67 85.40 -63.28 8.25 85.92 -64.13 9.02 85.46 -61.84 8.70 86.11 -61.62 9.39 87.46 3 0 20.80-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 57 -63.54 7.00 86.26 -62.77 6.48 86.62 -65.77 6.82 87.24 -65.31 7.08 88.36 -64.87 6.45 86.10-999.99-999.99-999.99 1 0 19.04-999 ?-999 ?-999 ? CO CO C 601 mLYS.C 58 -67.07 6.85 86.96 -67.28 6.63 86.01 -69.00 5.97 88.05 -69.00 5.11 87.16 -68.09 7.18 87.95 -68.89 8.40 87.50 2 0 21.07-999 ?-999 ?-999 ? CO CO C 601 mPRO.C 59 -69.79 5.87 89.14 -69.70 6.62 89.79 -71.85 4.76 88.31 -72.25 3.72 87.79 -70.70 4.73 89.31 -71.17 4.89 90.76 3 0 21.46-999 ?-999 ?-999 ? CO CO C 601 mGLU.C 60 -72.37 5.95 88.05 -71.94 6.71 88.54 -73.03 6.90 85.89 -72.23 7.82 86.00 -73.47 6.11 87.11 -74.65 6.81 87.79 2 0 21.09-999 ?-999 ?-999 ? CO CO C 601 mASN~C 61 -73.56 6.53 84.73 -74.21 5.77 84.78 -74.11 6.82 82.36 -73.79 5.97 81.53 -73.18 7.20 83.49 -71.75 6.82 83.14 2 0 18.91-999 ?-999 ?-999 ? CO CO C 601 mPRO~C 62 -75.28 7.48 82.28 -75.40 8.17 83.00 -75.74 7.13 79.82 -76.14 6.24 79.06 -76.28 7.22 81.24 -77.29 8.34 81.44 3 0 18.97-999 ?-999 ?-999 ? CO CO C 601 mGLU~C 63 -74.84 8.04 79.44 -74.59 8.71 80.13 -73.68 6.59 77.84 -73.96 5.96 76.83 -74.28 7.98 78.08 -73.19 9.05 77.88 2 0 16.83-999 ?-999 ?-999 ? CO CO C 601 mALA~C 64 -72.85 6.13 78.78 -72.72 6.74 79.56 -73.25 3.69 78.68 -73.05 2.64 78.06 -72.22 4.82 78.64 -71.18 4.63 79.74 2 0 13.88-999 ?-999 ?-999 ? CO CO C 601 mALA~C 65 -74.32 3.89 79.44 -74.35 4.78 79.91 -76.05 2.74 78.21 -76.43 1.64 77.82 -75.37 2.88 79.56 -76.37 3.28 80.61 2 0 15.03-999 ?-999 ?-999 ? CO CO C 601 mASP~C 66 -76.19 3.84 77.49 -75.84 4.68 77.91 -76.00 2.90 75.25 -76.50 1.90 74.73 -76.82 3.78 76.18 -76.95 5.17 75.57 2 0 14.83-999 ?-999 ?-999 ? CO CO C 601 mLYS~C 67 -74.74 3.28 75.04 -74.46 4.10 75.54 -73.85 1.05 74.53 -73.96 0.19 73.66 -73.86 2.53 74.16 -72.44 3.10 74.24 2 0 11.23-999 ?-999 ?-999 ? CO CO C 601 mLEU~C 68 -73.73 0.78 75.83 -73.66 1.60 76.41 -74.98 -1.34 76.04 -74.95 -2.54 75.74 -73.70 -0.58 76.35 -73.45 -0.53 77.85 3 0 10.50-999 ?-999 ?-999 ? CO CO C 601 mALA~C 69 -76.11 -0.64 76.11 -75.99 0.32 76.37 -77.44 -1.63 74.34 -77.75 -2.77 73.99 -77.40 -1.24 75.82 -78.51 -0.25 76.13 2 0 13.09-999 ?-999 ?-999 ? CO CO C 601 mASP~C 70 -77.13 -0.67 73.48 -76.90 0.21 73.89 -76.28 -2.15 71.74 -76.62 -2.95 70.88 -77.13 -0.94 72.06 -76.59 0.27 71.30 2 0 11.90-999 ?-999 ?-999 ? CO CO C 601 mGLU~C 71 -75.16 -2.27 72.45 -74.99 -1.55 73.12 -74.90 -4.68 72.73 -74.86 -5.70 72.06 -74.26 -3.40 72.22 -72.93 -3.18 72.93 2 0 8.63-999 ?-999 ?-999 ? CO CO C 601 mVAL~C 72 -75.49 -4.62 73.92 -75.45 -3.74 74.38 -77.21 -6.28 73.49 -77.54 -7.46 73.46 -76.14 -5.80 74.46 -76.73 -5.53 75.86 3 0 11.06-999 ?-999 ?-999 ? CO CO C 601 mALA~C 73 -77.75 -5.39 72.69 -77.44 -4.44 72.80 -78.04 -6.66 70.64 -78.48 -7.77 70.37 -78.74 -5.83 71.73 -79.45 -4.64 71.12 2 0 12.99-999 ?-999 ?-999 ? CO CO C 601 mCSS~C 74 -76.96 -6.16 70.02 -76.70 -5.24 70.33 -76.02 -8.35 69.42 -76.24 -9.31 68.67 -76.25 -6.94 68.98 -74.86 -6.40 68.69 2 0 10.78-999 ?-999 ?-999 ? CO CO C 601 mMETC 75 -75.50 -8.44 70.63 -75.35 -7.57 71.10 -76.44 -10.54 71.32 -76.57 -11.54 70.61 -75.18 -9.70 71.22 -74.52 -9.49 72.57 2 0 10.69-999 ?-999 ?-999 ? CO CO C 601 mALA~C 76 -77.40 -10.13 72.14 -77.21 -9.29 72.63 -79.25 -11.29 70.93 -79.82 -12.37 70.80 -78.63 -10.91 72.27 -79.64 -10.17 73.11 2 0 14.39-999 ?-999 ?-999 ? CO CO C 601 mASN~C 77 -79.13 -10.42 69.93 -78.63 -9.59 70.16 -78.93 -11.74 67.85 -79.46 -12.31 66.91 -79.71 -10.70 68.63 -79.83 -9.42 67.79 2 0 15.29-999 ?-999 ?-999 ? CO CO C 601 mTHR~C 78 -77.67 -11.96 68.19 -77.33 -11.40 68.94 -77.12 -14.33 68.10 -76.95 -14.49 69.30 -76.88 -12.97 67.48 -75.38 -12.70 67.55 2 0 14.23-999 ?-999 ?-999 ? CO CO C 601 mPRO.C 79 -77.50 -15.35 67.29 -77.59 -15.14 66.31 -76.57 -17.06 68.80 -75.42 -16.69 68.54 -77.74 -16.66 67.90 -77.93 -17.58 66.69 3 0 15.51-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 80 -76.86 -17.79 69.87 -77.83 -18.03 69.97 -75.49 -17.08 71.79 -75.05 -17.34 72.90 -75.81 -18.17 70.78-999.99-999.99-999.99 1 0 16.91-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 81 -75.73 -15.83 71.40 -76.10 -15.72 70.48 -73.94 -14.67 72.52 -73.19 -15.31 71.78 -75.44 -14.73 72.31-999.99-999.99-999.99 1 0 14.12-999 ?-999 ?-999 ? CO CO C 601 mGLY^C 82 -73.49 -13.90 73.51 -74.19 -13.43 74.04 -71.75 -13.14 75.07 -72.65 -12.92 75.89 -72.07 -13.81 73.75-999.99-999.99-999.99 1 0 11.63-999 ?-999 ?-999 ? CO CO C 601 mALA^C 83 -70.48 -12.82 75.27 -69.87 -13.06 74.50 -69.22 -10.92 76.18 -68.40 -10.91 75.28 -70.00 -12.19 76.49 -69.13 -13.15 77.25 2 0 10.56-999 ?-999 ?-999 ? CO CO C 601 mLEU^C 84 -69.49 -9.85 76.93 -70.20 -9.99 77.61 -67.97 -8.27 77.99 -68.38 -8.59 79.11 -68.77 -8.59 76.75 -69.72 -7.43 76.53 3 0 7.98-999 ?-999 ?-999 ? CO CO C 601 mILE^C 85 -66.83 -7.62 77.78 -66.61 -7.44 76.82 -65.84 -5.72 78.81 -65.14 -5.19 77.96 -65.98 -7.22 78.88 -64.60 -7.84 78.79 3 0 8.77-999 ?-999 ?-999 ? CO CO C 601 mVAL^C 86 -66.55 -5.03 79.70 -67.10 -5.59 80.31 -65.27 -3.16 80.53 -65.04 -3.63 81.64 -66.51 -3.58 79.75 -67.72 -3.02 80.47 3 0 9.27-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 87 -64.49 -2.27 79.93 -64.79 -1.97 79.03 -62.03 -2.13 79.82 -60.93 -1.83 80.27 -63.29 -1.78 80.59-999.99-999.99-999.99 1 0 10.71-999 ?-999 ?-999 ? CO CO C 601 mILE.C 88 -62.20 -2.78 78.66 -63.16 -2.96 78.45 -61.17 -2.45 76.45 -62.17 -2.57 75.73 -61.08 -3.18 77.80 -61.10 -4.72 77.50 3 0 8.79-999 ?-999 ?-999 ? CO CO C 601 mGLU.C 89 -60.11 -1.72 76.09 -59.36 -1.72 76.75 -60.22 -1.93 73.63 -59.47 -2.89 73.50 -60.10 -0.99 74.83 -58.80 -0.17 74.71 2 0 8.00-999 ?-999 ?-999 ? CO CO C 601 mASP.C 90 -61.18 -1.63 72.76 -61.72 -0.83 73.00 -60.21 -2.50 70.67 -59.50 -1.51 70.48 -61.42 -2.43 71.56 -62.58 -1.85 70.75 2 0 -5.01-999 ?-999 ?-999 ? CO CO C 601s mLYS.C 91 -59.99 -3.68 70.10 -60.68 -4.36 70.37 -57.49 -4.03 69.80 -56.71 -4.92 69.47 -58.88 -3.98 69.18 -58.90 -2.99 68.00 2 0 7.14-999 ?-999 ?-999 ? CO CO C 601 mTHR.C 92 -57.18 -3.10 70.69 -57.91 -2.43 70.88 -55.87 -4.05 72.48 -54.88 -4.76 72.70 -55.88 -3.07 71.33 -55.54 -1.70 71.91 2 0 10.12-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 93 -56.97 -4.11 73.22 -57.71 -3.50 72.94 -56.44 -4.36 75.60 -56.20 -5.03 76.59 -57.03 -5.01 74.36-999.99-999.99-999.99 1 0 9.64-999 ?-999 ?-999 ? CO CO C 601 mARG.C 94 -56.22 -3.06 75.55 -56.45 -2.63 74.67 -56.68 -2.19 77.81 -57.86 -1.93 77.56 -55.66 -2.33 76.68 -55.22 -0.94 76.25 2 0 12.10-999 ?-999 ?-999 ? CO CO C 601 mILE.C 95 -56.22 -2.36 79.04 -55.24 -2.56 79.10 -57.37 -0.78 80.56 -56.44 0.00 80.73 -57.10 -2.25 80.20 -56.51 -2.98 81.43 3 0 13.23-999 ?-999 ?-999 ? CO CO C 601 mILE.C 96 -58.65 -0.41 80.65 -59.31 -1.14 80.47 -59.70 0.98 82.36 -59.30 1.73 83.25 -59.02 0.96 81.00 -60.00 1.56 79.98 3 0 13.63-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 97 -60.74 0.16 82.50 -60.96 -0.40 81.70 -62.86 0.69 83.70 -63.24 1.30 82.69 -61.47 0.09 83.75-999.99-999.99-999.99 1 0 14.66-999 ?-999 ?-999 ? CO CO C 601 mTHR.C 98 -63.62 0.52 84.79 -63.15 0.03 85.52 -65.45 1.03 86.35 -65.14 0.11 87.11 -64.99 1.02 84.90 -66.00 0.12 84.18 2 0 15.40-999 ?-999 ?-999 ? CO CO C 601 mGLU.C 99 -66.21 2.04 86.74 -66.42 2.72 86.03 -68.22 2.00 88.17 -68.83 2.09 89.25 -66.70 2.11 88.11 -66.21 3.39 88.75 2 0 18.78-999 ?-999 ?-999 ? CO CO C 601 mLEU.C 100 -68.82 1.78 87.00 -68.18 1.73 86.23 -70.80 0.68 87.88 -70.21 -0.37 88.13 -70.25 1.64 86.86 -70.58 1.14 85.46 3 0 17.97-999 ?-999 ?-999 ? CO CO C 601 mASP~C 101 -71.95 1.03 88.45 -72.32 1.91 88.13 -73.34 -0.94 88.76 -74.15 -0.70 87.86 -72.60 0.20 89.45 -73.59 1.01 90.27 2 0 20.60-999 ?-999 ?-999 ? CO CO C 601 mILE~C 102 -73.09 -2.17 89.19 -72.43 -2.23 89.94 -75.28 -3.22 88.64 -75.95 -3.40 87.61 -73.75 -3.32 88.59 -73.30 -4.65 89.24 3 0 19.72-999 ?-999 ?-999 ? CO CO C 601 mASP~C 103 -75.82 -2.91 89.81 -75.17 -2.78 90.55 -77.81 -1.66 89.09 -78.86 -1.80 88.46 -77.27 -2.78 89.96 -77.63 -2.54 91.42 2 0 22.57-999 ?-999 ?-999 ? CO CO C 601 mTRP~C 104 -77.09 -0.55 89.07 -76.25 -0.58 89.63 -77.50 0.27 86.79 -78.50 0.49 86.09 -77.51 0.59 88.29 -76.58 1.78 88.54 3 0 21.81-999 ?-999 ?-999 ? CO CO C 601 mLEU~C 105 -76.37 -0.24 86.31 -75.65 -0.39 86.99 -77.24 -1.61 84.46 -77.84 -1.48 83.39 -76.23 -0.56 84.91 -74.80 -1.04 84.62 3 0 18.14-999 ?-999 ?-999 ? CO CO C 601 mARG~C 106 -77.45 -2.64 85.28 -76.92 -2.63 86.12 -79.78 -3.06 84.78 -80.40 -3.14 83.72 -78.41 -3.69 84.92 -78.43 -4.79 85.99 2 0 19.09-999 ?-999 ?-999 ? CO CO C 601 mGLN~C 107 -80.25 -2.43 85.85 -79.64 -2.44 86.65 -81.58 -0.75 84.69 -82.62 -0.49 84.10 -81.55 -1.78 85.82 -81.85 -1.09 87.15 2 0 22.05-999 ?-999 ?-999 ? CO CO C 601 mGLY~C 108 -80.42 -0.16 84.40 -79.64 -0.44 84.96 -80.57 0.19 81.98 -81.44 0.61 81.22 -80.34 0.83 83.34-999.99-999.99-999.99 1 0 20.03-999 ?-999 ?-999 ? CO CO C 601 mILE~C 109 -79.80 -0.85 81.68 -79.15 -1.10 82.39 -81.30 -2.12 80.21 -81.90 -2.00 79.15 -79.92 -1.53 80.40 -78.86 -2.63 80.29 3 0 17.41-999 ?-999 ?-999 ? CO CO C 601 mPHE~C 110 -81.81 -2.75 81.26 -81.22 -2.76 82.07 -84.22 -2.38 80.81 -85.22 -2.75 80.21 -83.12 -3.36 81.21 -83.46 -3.94 82.57 3 0 20.31-999 ?-999 ?-999 ? CO CO C 601 mTHR~C 111 -84.02 -1.12 81.15 -83.16 -0.93 81.63 -85.03 0.28 79.38 -86.08 0.56 78.82 -85.01 -0.12 80.84 -84.81 1.16 81.66 2 0 22.17-999 ?-999 ?-999 ? CO CO C 601 mARG~C 112 -83.87 0.33 78.74 -83.06 0.07 79.26 -83.90 -0.38 76.33 -84.58 -0.29 75.31 -83.88 0.74 77.35 -82.69 1.67 77.08 2 0 19.95-999 ?-999 ?-999 ? CO CO C 601 mILE~C 113 -83.17 -1.44 76.60 -82.70 -1.39 77.48 -84.14 -3.65 76.01 -84.41 -4.53 75.20 -83.09 -2.57 75.68 -81.65 -3.14 75.75 3 0 18.07-999 ?-999 ?-999 ? CO CO C 601 mASP~C 114 -84.74 -3.58 77.20 -84.42 -2.81 77.76 -85.21 -5.89 78.09 -85.98 -6.84 78.26 -85.75 -4.53 77.64 -86.81 -4.76 76.56 2 0 17.72-999 ?-999 ?-999 ? CL CL C 584 mVAL.C 115 -83.90 -5.98 78.29 -83.40 -5.13 78.10 -82.31 -6.89 79.89 -81.72 -5.81 79.91 -83.27 -7.21 78.75 -82.50 -7.94 77.62 3 0 17.51-999 ?-999 ?-999 ? CL CL C 584 mALA.C 116 -82.16 -7.82 80.82 -82.70 -8.65 80.67 -80.20 -8.70 82.01 -80.33 -9.70 82.72 -81.28 -7.62 81.96 -82.07 -7.64 83.24 2 0 19.43-999 ?-999 ?-999 ? CO CO C 601 mPRO.C 117 -79.10 -8.49 81.26 -79.12 -7.63 80.75 -77.25 -9.59 82.51 -77.24 -8.69 83.34 -77.98 -9.43 81.19 -77.10 -8.82 80.12 3 0 16.86-999 ?-999 ?-999 ? CO CO C 601 mASP^C 118 -76.65 -10.76 82.68 -76.76 -11.42 81.93 -74.61 -10.23 83.77 -74.02 -10.13 82.70 -75.89 -11.04 83.89 -75.56 -12.53 83.99 2 0 17.92-999 ?-999 ?-999 ? CO CO C 601 mVAL^C 119 -74.18 -9.64 84.87 -74.75 -9.77 85.68 -72.24 -9.02 86.17 -72.81 -8.75 87.23 -72.96 -8.87 84.83 -73.26 -7.39 84.49 3 0 16.53-999 ?-999 ?-999 ? CO CO C 601 mVAL^C 120 -70.99 -9.48 86.11 -70.67 -9.69 85.18 -68.91 -8.88 87.18 -68.32 -8.77 86.10 -70.18 -9.67 87.30 -69.80 -11.15 87.53 3 0 18.06-999 ?-999 ?-999 ? CO CO C 601 mALA^C 121 -68.47 -8.30 88.29 -69.03 -8.46 89.11 -66.02 -8.36 88.45 -66.05 -9.35 89.17 -67.26 -7.50 88.25 -67.31 -6.42 89.31 2 0 18.01-999 ?-999 ?-999 ? CO CO C 601 mLYS^C 122 -64.94 -7.96 87.80 -65.06 -7.14 87.25 -62.53 -7.72 87.99 -62.70 -6.51 87.78 -63.69 -8.69 87.92 -63.54 -9.61 86.73 2 0 18.00-999 ?-999 ?-999 ? CO CO C 601 mARG^C 123 -61.34 -8.23 88.28 -61.32 -9.22 88.45 -58.96 -7.93 87.61 -58.49 -9.03 87.92 -60.16 -7.37 88.35 -59.81 -7.10 89.81 2 0 18.92-999 ?-999 ?-999 ? CO CO C 601 mVAL.C 124 -58.46 -7.20 86.62 -58.94 -6.34 86.44 -56.02 -7.25 86.57 -55.63 -7.84 87.58 -57.29 -7.66 85.86 -57.24 -7.07 84.47 3 0 17.83-999 ?-999 ?-999 ? CO CO C 601 mLEU.C 125 -55.34 -6.24 86.04 -55.73 -5.83 85.21 -54.43 -4.81 87.80 -53.77 -3.78 87.96 -54.11 -5.80 86.68 -53.16 -5.19 85.64 3 0 20.00-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 126 -55.44 -5.14 88.60 -55.89 -6.01 88.38 -57.02 -3.42 89.29 -57.73 -2.86 90.14 -55.84 -4.28 89.70-999.99-999.99-999.99 1 0 21.62-999 ?-999 ?-999 ? CO CO C 601 mGLN.C 127 -57.24 -3.33 87.99 -56.58 -3.85 87.43 -59.63 -3.33 87.46 -59.62 -4.55 87.34 -58.32 -2.55 87.42 -57.98 -2.21 85.97 2 0 18.58-999 ?-999 ?-999 ? CO CO C 601 mARG^C 128 -60.75 -2.63 87.64 -60.61 -1.65 87.73 -62.71 -3.33 86.33 -62.75 -2.32 85.63 -62.05 -3.30 87.70 -62.97 -2.56 88.68 2 0 17.61-999 ?-999 ?-999 ? CO CO C 601 mVAL^C 129 -63.21 -4.49 85.92 -63.08 -5.26 86.55 -65.20 -5.31 84.79 -65.34 -6.15 85.68 -63.89 -4.57 84.63 -63.03 -5.27 83.56 3 0 14.22-999 ?-999 ?-999 ? CO CO C 601 mLEU^C 130 -66.18 -4.98 83.96 -65.95 -4.27 83.29 -67.65 -6.71 82.99 -67.53 -6.43 81.80 -67.47 -5.64 84.06 -68.61 -4.63 83.94 3 0 13.65-999 ?-999 ?-999 ? CO CO C 601 mALA^C 131 -67.92 -7.93 83.41 -67.96 -8.06 84.40 -69.64 -9.05 82.26 -70.36 -9.29 83.23 -68.14 -8.96 82.43 -67.60 -10.28 82.92 2 0 12.90-999 ?-999 ?-999 ? CO CO C 601 mILE^C 132 -70.12 -8.82 81.06 -69.45 -8.58 80.35 -71.86 -10.13 80.02 -71.35 -10.28 78.91 -71.55 -8.92 80.85 -72.13 -7.72 80.15 3 0 12.57-999 ?-999 ?-999 ? CO CO C 601 mTYR^C 133 -72.70 -11.00 80.55 -73.05 -10.75 81.45 -74.52 -12.10 79.35 -75.48 -12.08 80.14 -73.08 -12.21 79.85 -72.95 -13.43 80.77 3 0 14.07-999 ?-999 ?-999 ? CO CO C 601 mVAL^C 134 -74.66 -12.04 78.03 -73.80 -12.06 77.52 -76.33 -13.21 76.61 -75.54 -13.71 75.81 -75.97 -11.94 77.40 -76.04 -10.65 76.50 3 0 14.30-999 ?-999 ?-999 ? CO CO C 601 mALA.C 135 -77.52 -13.74 76.90 -78.01 -13.23 77.61 -78.79 -14.56 74.99 -79.26 -13.42 74.84 -78.06 -14.93 76.27 -79.02 -15.61 77.21 2 0 16.73-999 ?-999 ?-999 ? CL CL C 584 mALA.C 136 -78.90 -15.52 74.08 -78.48 -16.39 74.34 -81.06 -15.04 73.06 -81.71 -15.83 73.73 -79.58 -15.30 72.81 -79.40 -16.52 71.93 2 0 14.18-999 ?-999 ?-999 ? CL CL C 584 mALA.C 137 -81.58 -13.94 72.53 -80.95 -13.40 71.98 -83.97 -14.48 71.96 -83.64 -15.01 70.90 -82.99 -13.60 72.74 -83.22 -12.14 72.39 2 0 11.61-999 ?-999 ?-999 ? CL CL C 584 mALA.C 138 -85.18 -14.64 72.49 -85.32 -14.15 73.36 -86.89 -14.66 70.73 -87.67 -15.21 69.96 -86.19 -15.45 71.85 -87.20 -15.93 72.87 2 0 7.82-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 139 -86.60 -13.36 70.67 -85.97 -13.04 71.38 -86.26 -11.28 69.43 -85.61 -10.82 70.36 -87.16 -12.50 69.64 -88.57 -12.05 70.01 2 0 8.49-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 140 -86.21 -10.75 68.19 -86.78 -11.20 67.49 -85.47 -8.52 69.00 -86.57 -8.16 69.42 -85.36 -9.59 67.93 -85.83 -9.13 66.55 3 0 12.00-999 ?-999 ?-999 ? CL CL C 584 mILE.C 141 -84.32 -8.03 69.45 -83.52 -8.44 69.02 -83.86 -5.70 69.74 -82.77 -5.61 69.17 -84.23 -6.99 70.46 -83.11 -7.30 71.49 3 0 14.61-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 142 -84.74 -4.71 69.74 -85.60 -4.90 70.21 -83.70 -2.52 70.03 -84.18 -2.30 71.13 -84.41 -3.45 69.06 -85.68 -2.80 68.55 2 0 17.48-999 ?-999 ?-999 ? CL CL C 584 mASP.C 143 -82.56 -1.97 69.64 -82.25 -2.20 68.71 -82.48 0.29 70.74 -83.60 0.55 70.28 -81.84 -1.08 70.55 -80.39 -0.89 70.10 2 0 16.33-999 ?-999 ?-999 ? CO CO C 601 mTHR.C 144 -81.75 1.18 71.42 -80.85 0.84 71.71 -82.68 3.24 70.44 -83.63 4.01 70.49 -82.22 2.52 71.69 -81.15 3.40 72.36 2 0 17.83-999 ?-999 ?-999 ? CO CO C 601 mSER.C 145 -82.02 3.00 69.32 -81.26 2.35 69.40 -83.43 2.84 67.29 -83.68 3.11 66.12 -82.41 3.66 68.08 -81.17 3.90 67.21 2 0 18.60-999 ?-999 ?-999 ? CO CO C 601 mASP.C 146 -84.04 1.86 67.96 -83.76 1.79 68.91 -84.44 0.29 66.12 -85.11 0.12 65.10 -85.03 0.97 67.33 -86.28 1.74 66.92 2 0 20.18-999 ?-999 ?-999 ? CO CO C 601 mARG.C 147 -83.18 -0.10 66.24 -82.76 0.09 67.12 -82.35 -2.22 65.51 -82.21 -2.58 66.68 -82.50 -0.77 65.15 -81.13 -0.16 64.95 2 0 17.88-999 ?-999 ?-999 ? CO CO C 601 mLEU.C 148 -82.37 -3.06 64.49 -82.49 -2.63 63.59 -80.92 -4.95 64.03 -80.83 -5.03 62.80 -82.22 -4.49 64.68 -83.41 -5.22 64.07 3 0 17.37-999 ?-999 ?-999 ? CO CO C 601 mARG^C 149 -79.92 -5.26 64.85 -80.13 -5.16 65.82 -77.94 -6.75 65.21 -78.22 -6.84 66.40 -78.63 -5.70 64.32 -77.72 -4.49 64.13 2 0 14.25-999 ?-999 ?-999 ? CO CO C 601 mTRP^C 150 -77.05 -7.55 64.61 -76.93 -7.36 63.64 -74.83 -8.60 65.06 -74.39 -8.03 64.07 -76.33 -8.60 65.34 -76.89 -9.98 65.00 3 0 12.38-999 ?-999 ?-999 ? CO CO C 601 mARG^C 151 -74.06 -9.25 65.94 -74.57 -9.67 66.69 -72.11 -10.11 64.57 -72.68 -11.12 64.20 -72.59 -9.33 65.80 -71.94 -9.97 67.05 2 0 9.54-999 ?-999 ?-999 ? CO CO C 601 mVAL.C 152 -71.05 -9.62 63.94 -70.68 -8.77 64.31 -69.02 -10.50 63.05 -68.54 -11.60 63.37 -70.52 -10.34 62.80 -70.81 -9.59 61.49 3 0 10.76-999 ?-999 ?-999 ? CO CO C 601 mGLY.C 153 -68.25 -9.44 62.93 -68.71 -8.59 62.66 -66.64 -9.10 64.62 -67.08 -9.73 65.58 -66.84 -9.59 63.20-999.99-999.99-999.99 1 0 8.99-999 ?-999 ?-999 ? CO CO C 601 mASP.C 154 -65.96 -7.97 64.73 -65.63 -7.59 63.86 -66.86 -6.34 66.10 -67.30 -5.95 67.18 -65.74 -7.35 66.02 -64.40 -6.64 66.06 2 0 -5.36-999 ?-999 ?-999 ? CO CO C 601s mSER.C 155 -67.32 -5.91 64.94 -66.88 -6.31 64.14 -69.68 -5.64 64.51 -69.68 -6.79 64.08 -68.39 -4.94 64.87 -68.08 -3.91 63.80 2 0 6.23-999 ?-999 ?-999 ? CO CO C 601 mCSS^C 156 -70.79 -4.95 64.68 -70.70 -4.02 65.05 -72.91 -4.78 63.36 -73.20 -3.60 63.55 -72.04 -5.57 64.33 -72.80 -5.97 65.59 2 0 8.83-999 ?-999 ?-999 ? CO CO C 601 mARG^C 157 -73.31 -5.49 62.31 -73.00 -6.44 62.35 -75.61 -5.20 61.40 -76.02 -5.99 62.23 -74.10 -4.99 61.20 -73.64 -5.71 59.93 2 0 12.47-999 ?-999 ?-999 ? CO CO C 601 mPRO^C 158 -76.44 -4.48 60.63 -75.98 -3.86 59.99 -78.43 -5.85 60.05 -77.82 -6.36 59.12 -77.90 -4.60 60.73 -78.39 -3.34 60.04 3 0 15.53-999 ?-999 ?-999 ? CO CO C 601 mVAL.C 159 -79.58 -6.34 60.50 -79.97 -5.83 61.27 -81.72 -7.45 59.94 -82.30 -7.11 60.97 -80.20 -7.52 59.90 -79.72 -8.82 60.58 3 0 18.11-999 ?-999 ?-999 ? CO CO C 601 mASP~C 160 -82.37 -7.76 58.82 -81.77 -8.01 58.06 -84.50 -8.89 59.45 -83.88 -9.94 59.65 -83.83 -7.71 58.74 -84.27 -7.68 57.27 2 0 18.04-999 ?-999 ?-999 ? CL CL C 584 mARG~C 161 -85.76 -8.72 59.84 -86.15 -7.83 59.62 -86.54 -11.06 59.73 -86.52 -12.16 60.29 -86.47 -9.78 60.54 -87.89 -9.35 60.91 2 0 14.37-999 ?-999 ?-999 ? CL CL C 584 mALA~C 162 -86.61 -10.93 58.41 -86.62 -9.98 58.09 -85.48 -12.98 57.76 -85.63 -14.18 58.01 -86.68 -12.08 57.53 -86.71 -11.63 56.08 2 0 15.26-999 ?-999 ?-999 ? CL CL C 584 mGLU~C 163 -84.29 -12.41 57.67 -84.29 -11.43 57.46 -82.99 -13.64 59.31 -82.74 -14.80 59.60 -83.08 -13.20 57.87 -81.84 -12.39 57.49 2 0 16.42-999 ?-999 ?-999 ? CL CL C 584 mTRP~C 164 -83.22 -12.71 60.24 -83.47 -11.81 59.89 -83.89 -14.26 62.10 -83.39 -15.08 62.87 -83.10 -13.05 61.64 -83.51 -11.90 62.54 3 0 13.98-999 ?-999 ?-999 ? CL CL C 584 mTRP~C 165 -85.15 -14.35 61.66 -85.45 -13.61 61.06 -85.52 -16.79 61.46 -85.40 -17.77 62.18 -85.97 -15.48 62.07 -87.45 -15.21 61.75 3 0 10.90-999 ?-999 ?-999 ? CL CL C 584 mGLU~C 166 -85.24 -16.80 60.16 -85.35 -15.94 59.67 -83.58 -18.53 60.29 -83.34 -19.73 60.37 -84.80 -18.04 59.56 -84.49 -17.87 58.07 2 0 13.11-999 ?-999 ?-999 ? CL CL C 584 mTYR~C 167 -82.80 -17.62 60.85 -83.09 -16.67 60.72 -81.96 -18.43 63.00 -81.31 -19.29 63.58 -81.61 -18.02 61.59 -80.57 -16.90 61.59 3 0 14.04-999 ?-999 ?-999 ? CL CL C 584 mGLN~C 168 -82.99 -17.82 63.57 -83.44 -17.13 63.00 -84.02 -19.58 64.90 -83.69 -20.43 65.74 -83.40 -18.17 64.92 -84.40 -17.15 65.46 2 0 10.78-999 ?-999 ?-999 ? CL CL C 584 mARG~C 169 -84.91 -19.83 63.95 -85.08 -19.07 63.32 -84.53 -22.24 63.67 -84.62 -23.29 64.29 -85.56 -21.13 63.86 -86.54 -21.15 62.69 2 0 9.83-999 ?-999 ?-999 ? CL CL C 584 mALA~C 170 -83.54 -21.95 62.82 -83.60 -21.03 62.44 -81.50 -23.25 63.60 -81.20 -24.43 63.82 -82.47 -22.89 62.49 -81.70 -22.36 61.30 2 0 13.49-999 ?-999 ?-999 ? CL CL C 584 mGLN~C 171 -80.98 -22.25 64.31 -81.31 -21.33 64.05 -80.28 -21.84 66.69 -79.41 -21.18 67.24 -80.02 -22.51 65.36 -78.62 -22.14 64.87 2 0 14.25-999 ?-999 ?-999 ? CL CL C 584 mSER~C 172 -81.48 -22.03 67.23 -82.11 -22.59 66.68 -82.99 -22.13 69.17 -83.60 -23.02 68.57 -81.81 -21.43 68.51 -82.12 -19.93 68.36 2 0 11.61-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 173 -83.29 -21.73 70.40 -82.70 -21.01 70.77 -85.59 -22.50 70.24 -85.73 -21.81 69.22 -84.39 -22.32 71.14-999.99-999.99-999.99 1 0 9.47-999 ?-999 ?-999 ? CL CL C 584 mPHE.C 174 -86.47 -23.42 70.58 -86.26 -23.92 71.42 -88.78 -22.67 70.08 -89.34 -22.72 71.18 -87.65 -23.64 69.75 -88.14 -25.09 69.90 3 0 7.33-999 ?-999 ?-999 ? CL CL C 584 mASP~C 175 -89.09 -21.77 69.15 -88.52 -21.81 68.33 -91.39 -21.46 68.67 -91.51 -21.46 67.44 -90.19 -20.84 69.34 -89.91 -19.49 68.70 2 0 -3.60-999 ?-999 ?-999 ? CL CL C 584s mPRO~C 176 -92.32 -21.98 69.47 -92.13 -21.89 70.45 -94.22 -21.86 67.81 -94.47 -22.41 66.73 -93.52 -22.62 68.93 -94.40 -22.81 70.16 3 0 -4.08-999 ?-999 ?-999 ? CL CL C 584s mMETC 177 -94.52 -20.59 68.07 -94.22 -20.28 68.97 -94.37 -19.38 65.90 -94.90 -18.89 64.90 -95.21 -19.74 67.12 -95.66 -18.48 67.87 2 0 -3.60-999 ?-999 ?-999 ? CL CL C 584s mALA~C 178 -93.07 -19.64 65.96 -92.77 -20.06 66.81 -92.02 -20.47 63.85 -91.45 -20.30 62.77 -92.19 -19.32 64.83 -90.83 -18.87 65.35 2 0 5.04-999 ?-999 ?-999 ? CL CL C 584 mGLN.C 179 -92.52 -21.64 64.24 -92.95 -21.61 65.14 -93.12 -22.70 62.07 -94.01 -21.87 61.90 -92.44 -22.86 63.43 -93.11 -24.01 64.18 2 0 7.62-999 ?-999 ?-999 ? CL CL C 584 mVAL^C 180 -92.70 -23.52 61.11 -91.98 -24.16 61.38 -94.55 -24.28 59.65 -94.70 -25.30 60.32 -93.27 -23.45 59.78 -92.26 -23.92 58.70 3 0 11.08-999 ?-999 ?-999 ? CL CL C 584 mTHR^C 181 -95.48 -23.81 58.82 -95.22 -22.95 58.38 -96.85 -24.82 57.09 -95.90 -24.58 56.33 -96.75 -24.49 58.58 -97.97 -23.61 58.96 2 0 13.15-999 ?-999 ?-999 ? CL CL C 584 mTHR^C 182 -97.99 -25.36 56.68 -98.67 -25.50 57.41 -98.97 -24.61 54.54 -99.22 -24.72 53.34 -98.23 -25.72 55.29 -99.04 -27.04 55.18 2 0 16.93-999 ?-999 ?-999 ? CL CL C 584 mALA^C 183 -99.30 -23.54 55.26 -99.02 -23.59 56.22 -99.03 -21.59 53.85 -97.88 -21.41 54.23-100.00 -22.41 54.67-100.61 -21.55 55.76 2 0 17.04-999 ?-999 ?-999 ? CL CL C 584 mTHR^C 184 -99.52 -21.08 52.72-100.48 -21.29 52.54 -99.32 -18.92 51.58-100.38 -18.58 52.13 -98.68 -20.27 51.85 -98.45 -20.97 50.51 2 0 18.85-999 ?-999 ?-999 ? CL CL C 584 mLEU.C 185 -98.67 -18.17 50.70 -97.84 -18.61 50.35-100.56 -16.78 49.86-101.24 -15.77 50.05 -99.10 -16.84 50.29 -98.22 -16.38 49.14 3 0 20.48-999 ?-999 ?-999 ? CL CL C 584 mGLY~C 186 -101.02 -17.86 49.25-100.37 -18.61 49.15-103.41 -18.06 49.91-104.59 -17.75 49.70-102.39 -17.91 48.79-999.99-999.99-999.99 1 0 22.98-999 ?-999 ?-999 ? CL CL C 584 mASP~C 187 -102.98 -18.53 51.08-102.00 -18.74 51.11-104.11 -17.37 52.92-105.04 -17.22 53.71-103.90 -18.70 52.19-103.40 -19.76 53.19 2 0 20.67-999 ?-999 ?-999 ? CL CL C 584 mALA~C 188 -103.24 -16.39 52.62-102.54 -16.65 51.96-104.60 -14.41 52.75-104.81 -14.28 51.54-103.33 -15.07 53.23-102.13 -14.24 52.82 2 0 19.81-999 ?-999 ?-999 ? CL CL C 584 mARG~C 189 -105.45 -13.98 53.68-105.16 -14.15 54.62-106.38 -11.89 52.94-105.69 -11.20 53.69-106.69 -13.33 53.29-107.71 -13.37 54.43 2 0 22.06-999 ?-999 ?-999 ? CL CL C 584 mPRO~C 190 -106.87 -11.41 51.79-107.41 -12.06 51.26-107.05 -9.02 52.40-106.31 -8.08 52.71-106.62 -10.03 51.36-107.42 -9.91 50.07 3 0 24.45-999 ?-999 ?-999 ? CL CL C 584 mALA~C 191 -108.24 -9.22 52.95-108.72 -10.03 52.60-107.75 -8.06 55.06-107.54 -6.91 55.47-108.78 -8.34 53.97-110.03 -8.95 54.57 2 0 24.58-999 ?-999 ?-999 ? CL CL C 584 mALA~C 192 -107.10 -9.13 55.53-107.37 -9.99 55.09-104.88 -8.25 56.12-104.28 -7.53 56.90-106.09 -9.06 56.58-105.65 -10.47 56.97 2 0 20.89-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 193 -104.53 -8.39 54.85-105.09 -9.02 54.32-103.82 -6.20 54.17-103.05 -5.28 54.48-103.40 -7.65 54.30-103.00 -8.23 52.94 3 0 21.62-999 ?-999 ?-999 ? CL CL C 584 mALA~C 194 -105.05 -5.99 53.71-105.56 -6.83 53.49-105.48 -3.89 54.88-105.09 -2.73 54.90-105.60 -4.65 53.55-107.05 -4.74 53.12 2 0 23.34-999 ?-999 ?-999 ? CO CO D 601 mLEU~C 195 -105.84 -4.57 55.97-106.14 -5.50 55.77-104.35 -3.69 57.73-104.09 -2.68 58.38-105.78 -4.01 57.31-106.36 -4.99 58.31 3 0 23.07-999 ?-999 ?-999 ? CL CL C 584 mALA~C 196 -103.45 -4.61 57.38-103.83 -5.39 56.89-101.56 -3.13 57.16-100.99 -2.34 57.89-102.04 -4.47 57.69-101.28 -5.60 57.05 2 0 20.69-999 ?-999 ?-999 ? CL CL C 584 mARG~C 197 -101.83 -2.90 55.88-102.32 -3.64 55.42-102.06 -0.42 55.81-101.37 0.56 56.06-101.42 -1.67 55.22-101.76 -1.72 53.74 2 0 20.54-999 ?-999 ?-999 ? CO CO D 601 mLYS~C 198 -103.38 -0.43 56.01-103.86 -1.27 55.79-103.47 1.13 57.92-103.55 2.28 58.34-104.01 0.78 56.54-105.54 0.64 56.58 2 0 22.88-999 ?-999 ?-999 ? CO CO D 601 mTRP~C 199 -102.91 0.15 58.63-102.90 -0.75 58.18-100.92 0.85 59.93-100.46 1.52 60.86-102.37 0.41 59.95-102.51 -0.82 60.86 3 0 23.39-999 ?-999 ?-999 ? CL CL C 584 mASP~C 200 -100.19 0.45 58.89-100.69 -0.11 58.23 -98.49 1.15 57.27 -98.38 0.26 56.43 -98.78 0.82 58.74 -97.86 -0.32 59.17 2 0 21.29-999 ?-999 ?-999 ? CO CO D 601 mPRO~C 201 -98.34 2.45 56.95 -98.43 3.08 57.72 -96.72 2.43 55.02 -96.49 2.49 53.82 -98.06 2.91 55.58 -98.13 4.42 55.71 3 0 18.17-999 ?-999 ?-999 ? CO CO D 601 mALA~C 202 -95.84 1.97 55.90 -96.15 1.98 56.85 -94.61 0.42 54.39 -93.80 0.39 53.46 -94.53 1.50 55.48 -93.76 0.95 56.69 2 0 16.36-999 ?-999 ?-999 ? CO CO D 601 mPHE~C 203 -95.60 -0.47 54.50 -96.20 -0.33 55.29 -96.39 -1.04 52.24 -96.27 -1.68 51.19 -95.77 -1.54 53.53 -96.64 -2.65 54.10 3 0 15.80-999 ?-999 ?-999 ? CO CO D 601 mALA~C 204 -97.06 0.10 52.33 -97.05 0.50 53.24 -97.00 0.64 49.85 -97.62 0.68 48.79 -97.75 0.70 51.19 -98.11 2.15 51.52 2 0 14.73-999 ?-999 ?-999 ? CO CO D 601 mGLU~C 205 -95.68 0.52 49.89 -95.29 0.47 50.81 -94.32 -0.89 48.32 -93.25 -0.99 47.74 -94.89 0.48 48.66 -93.74 1.50 48.73 2 0 11.03-999 ?-999 ?-999 ? CO CO D 601 mLEU~C 206 -95.04 -1.95 48.67 -95.90 -1.76 49.15 -95.61 -4.37 48.27 -96.65 -4.30 48.93 -94.54 -3.29 48.37 -93.45 -3.68 49.36 3 0 12.01-999 ?-999 ?-999 ? CO CO D 601 mTHR~C 207 -95.34 -5.36 47.43 -94.44 -5.27 46.99 -96.64 -7.24 48.42 -95.90 -7.26 49.40 -96.25 -6.47 47.16 -95.63 -7.47 46.14 2 0 14.25-999 ?-999 ?-999 ? CO CO D 601 mASP~C 208 -97.81 -7.86 48.37 -98.32 -7.75 47.52 -97.21 -9.61 49.95 -96.98 -9.78 51.15 -98.29 -8.64 49.51 -99.56 -9.39 49.14 2 0 17.98-999 ?-999 ?-999 ? CO CO D 601 mGLU~C 209 -96.56 -10.24 48.98 -96.85 -10.01 48.05 -94.40 -10.53 50.10 -94.07 -10.98 51.19 -95.50 -11.19 49.28 -94.90 -11.79 48.00 2 0 18.25-999 ?-999 ?-999 ? CO CO D 601 mGLU~C 210 -93.84 -9.46 49.57 -94.23 -9.19 48.69 -93.16 -8.33 51.64 -92.31 -8.28 52.54 -92.77 -8.74 50.24 -92.41 -7.51 49.45 2 0 15.87-999 ?-999 ?-999 ? CO CO D 601 mLEU~C 211 -94.44 -8.02 51.82 -95.01 -8.10 51.00 -94.82 -8.80 54.06 -94.03 -8.76 55.00 -94.94 -7.61 53.11 -96.40 -7.16 52.99 3 0 17.80-999 ?-999 ?-999 ? CO CO D 601 mLEU~C 212 -95.58 -9.85 53.80 -96.17 -9.77 52.99 -94.07 -11.47 54.90 -93.77 -12.06 55.93 -95.51 -11.01 54.66 -96.30 -12.16 54.08 3 0 17.10-999 ?-999 ?-999 ? CL CL C 584 mARG~C 213 -93.19 -11.21 53.94 -93.55 -10.74 53.14 -91.09 -10.61 55.01 -90.37 -10.98 55.94 -91.81 -11.60 54.12 -91.12 -11.68 52.76 2 0 17.20-999 ?-999 ?-999 ? CL CL C 584 mGLY~C 214 -91.31 -9.33 54.72 -91.92 -9.17 53.95 -90.96 -8.39 56.95 -90.06 -8.23 57.76 -90.68 -8.27 55.48-999.99-999.99-999.99 1 0 17.81-999 ?-999 ?-999 ? CL CL C 584 mILE~C 215 -92.21 -8.67 57.31 -92.86 -8.78 56.56 -91.90 -10.04 59.28 -91.69 -10.16 60.49 -92.55 -8.79 58.72 -94.08 -8.84 58.92 3 0 14.81-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 216 -91.57 -10.98 58.40 -91.80 -10.77 57.45 -91.80 -13.43 58.97 -91.41 -14.39 59.64 -90.92 -12.19 58.85-999.99-999.99-999.99 1 0 12.85-999 ?-999 ?-999 ? CL CL C 584 mALA.C 217 -92.96 -13.41 58.34 -93.16 -12.57 57.83 -93.81 -15.43 57.16 -94.33 -16.54 57.17 -93.87 -14.55 58.41 -95.29 -14.08 58.64 2 0 12.10-999 ?-999 ?-999 ? CL CL C 584 mLEU.C 218 -93.17 -14.94 56.10 -92.78 -14.03 56.23 -91.73 -16.40 54.68 -90.69 -15.76 54.48 -93.08 -15.70 54.86 -93.37 -14.79 53.66 3 0 15.19-999 ?-999 ?-999 ? CL CL C 584 mASP.C 219 -91.77 -17.72 54.76 -92.70 -18.06 54.91 -89.84 -18.43 53.32 -90.41 -18.06 52.30 -90.62 -18.61 54.63 -91.11 -20.06 54.74 2 0 15.32-999 ?-999 ?-999 ? CL CL C 584 mALA.C 220 -88.55 -18.71 53.36 -88.19 -18.99 54.25 -88.29 -19.59 51.14 -88.08 -19.44 49.94 -87.74 -18.60 52.15 -86.28 -18.91 52.46 2 0 18.38-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 221 -89.02 -20.59 51.63 -89.11 -20.60 52.62 -90.98 -21.11 50.26 -91.48 -21.57 49.24 -89.62 -21.59 50.76 -89.81 -22.92 51.50 2 0 19.52-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 222 -91.58 -20.18 51.01 -91.08 -19.90 51.82 -93.97 -20.03 51.60 -95.16 -19.80 51.33 -92.88 -19.64 50.63-999.99-999.99-999.99 1 0 19.16-999 ?-999 ?-999 ? CL CL C 584 mPHE^C 223 -93.58 -20.62 52.73 -92.59 -20.74 52.80 -94.69 -20.05 54.91 -93.74 -19.41 55.30 -94.53 -21.05 53.76 -94.09 -22.40 54.35 3 0 16.24-999 ?-999 ?-999 ? CL CL C 584 mLEU^C 224 -95.90 -19.91 55.44 -96.61 -20.47 55.01 -95.70 -19.68 57.85 -95.71 -20.90 57.96 -96.12 -19.00 56.54 -97.59 -18.62 56.64 3 0 13.58-999 ?-999 ?-999 ? CL CL C 584 mSER^C 225 -95.32 -18.88 58.84 -95.33 -17.90 58.62 -96.25 -19.61 60.90 -97.33 -19.24 60.43 -94.94 -19.42 60.14 -94.10 -18.42 60.89 2 0 9.84-999 ?-999 ?-999 ? CL CL C 584 mGLN~C 226 -96.15 -20.16 62.10 -95.22 -20.40 62.39 -98.07 -19.06 63.21 -99.30 -19.04 63.27 -97.33 -20.37 62.91 -96.94 -21.06 64.21 2 0 8.28-999 ?-999 ?-999 ? CL CL C 584 mALA~C 227 -97.32 -17.97 63.39 -96.34 -18.13 63.32 -98.47 -16.08 62.39 -99.56 -15.49 62.36 -97.93 -16.67 63.68 -96.92 -15.73 64.29 2 0 8.07-999 ?-999 ?-999 ? CL CL C 584 mGLY~C 228 -97.70 -16.23 61.32 -96.83 -16.70 61.48 -99.48 -16.31 59.71-100.41 -15.60 59.35 -98.12 -15.71 60.03-999.99-999.99-999.99 1 0 11.37-999 ?-999 ?-999 ? CL CL C 584 mLYS~C 229 -99.60 -17.61 59.88 -98.77 -18.07 60.21-101.99 -17.87 60.51-103.14 -17.81 60.08-100.85 -18.31 59.60-100.63 -19.81 59.74 2 0 12.83-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 230 -101.67 -17.57 61.76-100.69 -17.66 61.96-103.18 -15.73 62.54-104.32 -15.41 62.87-102.68 -17.15 62.74-102.11 -17.28 64.16 3 0 12.04-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 231 -102.33 -14.88 61.99-101.45 -15.26 61.72-103.29 -13.13 60.46-104.10 -12.21 60.39-102.70 -13.50 61.81-101.50 -12.61 62.11 3 0 13.55-999 ?-999 ?-999 ? CL CL C 584 mPHE~C 232 -102.92 -13.85 59.41-102.28 -14.59 59.62-104.28 -14.63 57.46-104.73 -14.48 56.33-103.41 -13.55 58.07-102.25 -13.27 57.13 3 0 16.45-999 ?-999 ?-999 ? CL CL C 584 mTHR~C 233 -104.53 -15.70 58.20-104.12 -15.66 59.11-106.49 -17.18 58.64-106.34 -17.14 59.87-105.33 -16.82 57.71-104.43 -18.06 57.52 2 0 17.32-999 ?-999 ?-999 ? CL CL C 584 mSER.C 234 -107.62 -17.54 58.05-107.58 -17.53 57.05-108.45 -18.93 59.87-107.88 -19.97 59.55-108.82 -17.92 58.80-109.84 -18.56 57.87 2 0 19.24-999 ?-999 ?-999 ? CL CL C 584 mLEU.C 235 -108.77 -18.66 61.13-109.22 -17.79 61.30-109.66 -20.52 62.41-109.67 -21.33 63.34-108.44 -19.65 62.14-107.94 -19.00 63.43 3 0 17.23-999 ?-999 ?-999 ? CL CL C 584 mASP.C 236 -110.68 -20.36 61.57-110.53 -19.66 60.88-112.43 -21.32 63.09-112.73 -22.43 63.50-111.92 -21.14 61.67-111.71 -22.51 61.03 2 0 20.71-999 ?-999 ?-999 ? CL CL C 584 mARG.C 237 -112.53 -20.22 63.83-112.23 -19.39 63.37-112.91 -18.87 65.82-111.94 -18.16 65.56-113.04 -20.25 65.20-112.29 -21.29 66.06 2 0 20.60-999 ?-999 ?-999 ? CL CL C 584 mTHR.C 238 -113.89 -18.47 66.62-114.63 -19.13 66.76-112.66 -17.04 68.21-112.42 -17.93 69.03-113.83 -17.16 67.24-115.16 -16.83 67.94 2 0 21.02-999 ?-999 ?-999 ? CL CL C 584 mALA.C 239 -111.91 -15.95 68.08-112.22 -15.31 67.38-111.07 -14.80 70.08-110.56 -14.96 71.19-110.75 -15.72 68.93-109.63 -15.13 68.10 2 0 18.00-999 ?-999 ?-999 ? CL CL C 584 mILE^C 240 -111.91 -13.81 69.81-112.24 -13.79 68.86-113.69 -12.39 70.51-114.06 -12.23 69.35-112.29 -12.86 70.83-111.33 -11.65 70.85 3 0 20.16-999 ?-999 ?-999 ? CL CL C 584 mGLU^C 241 -114.48 -12.16 71.54-114.09 -12.32 72.45-116.30 -10.84 72.47-115.96 -11.09 73.63-115.83 -11.70 71.32-116.75 -12.89 71.15 2 0 23.90-999 ?-999 ?-999 ? CL CL C 584 mLEU^C 242 -117.10 -9.83 72.12-117.30 -9.80 71.14-119.09 -9.10 73.45-119.92 -9.47 72.62-117.64 -8.86 73.06-117.52 -7.46 72.47 3 0 26.71-999 ?-999 ?-999 ? CL CL C 584 mSER^C 243 -119.39 -8.86 74.72-118.61 -8.56 75.27-121.03 -7.80 76.11-120.39 -7.59 77.13-120.74 -9.02 75.25-120.82 -10.26 76.12 2 0 29.86-999 ?-999 ?-999 ? CL CL C 584 mILE^C 244 -121.99 -6.98 75.68-122.43 -7.29 74.84-123.39 -5.99 77.52-124.50 -6.48 77.28-122.37 -5.75 76.40-122.98 -4.70 75.43 3 0 32.75-999 ?-999 ?-999 ? CL CL C 584 mPHE^C 245 -123.02 -5.62 78.73-122.10 -5.22 78.79-124.47 -4.45 80.30-123.98 -3.38 79.92-123.89 -5.78 79.87-123.13 -6.36 81.03 3 0 34.95-999 ?-999 ?-999 ? CL CL C 584 mASP.C 246 -125.52 -4.51 81.11-125.81 -5.44 81.35-125.45 -2.84 82.85-125.21 -1.65 83.04-126.18 -3.31 81.60-127.64 -3.62 81.93 2 0 38.41-999 ?-999 ?-999 ? CL CL C 584 mVAL.C 247 -125.10 -3.80 83.69-125.36 -4.73 83.40-123.94 -4.84 85.54-124.66 -5.83 85.49-124.40 -3.51 84.93-125.33 -2.76 85.90 3 0 38.01-999 ?-999 ?-999 ? CL CL C 584 mHIS.C 248 -122.73 -4.84 86.10-122.25 -3.97 86.08-123.25 -6.74 87.53-123.53 -6.32 88.66-122.18 -6.06 86.71-120.96 -5.73 87.59 3 0 36.00-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 249 -123.86 -7.77 86.96-123.54 -8.00 86.04-125.75 -9.25 86.70-126.84 -9.72 87.03-124.90 -8.46 87.67-999.99-999.99-999.99 1 0 37.97-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 250 -125.23 -9.39 85.49-124.34 -8.96 85.35-126.90 -9.30 83.68-127.00 -8.08 83.85-125.94 -10.14 84.48-999.99-999.99-999.99 1 0 37.06-999 ?-999 ?-999 ? CL CL C 584 mGLN.C 251 -127.62 -9.98 82.79-127.41 -10.96 82.80-127.79 -8.86 80.75-127.30 -7.73 80.79-128.62 -9.40 81.90-129.43 -8.30 82.62 2 0 38.74-999 ?-999 ?-999 ? CL CL C 584 mVAL^C 252 -127.60 -9.71 79.74-128.04 -10.59 79.89-127.65 -8.58 77.57-128.59 -9.09 76.96-126.82 -9.40 78.54-126.40 -10.69 77.79 3 0 36.13-999 ?-999 ?-999 ? CL CL C 584 mLEU^C 253 -127.31 -7.31 77.41-126.52 -7.01 77.95-127.82 -6.89 75.08-128.77 -7.11 74.32-128.05 -6.45 76.51-127.62 -4.99 76.69 3 0 37.71-999 ?-999 ?-999 ? CL CL C 584 mASN^C 254 -126.56 -7.06 74.73-125.88 -6.88 75.44-124.82 -8.00 73.28-123.98 -7.69 74.12-126.24 -7.47 73.38-126.41 -6.28 72.44 2 0 35.24-999 ?-999 ?-999 ? CL CL C 584 mARG^C 255 -124.54 -8.81 72.27-125.31 -9.01 71.66-122.79 -9.31 70.63-123.63 -9.37 69.72-123.20 -9.34 72.10-123.10 -10.76 72.67 2 0 31.67-999 ?-999 ?-999 ? CL CL C 584 mVAL^C 256 -121.48 -9.17 70.40-120.94 -9.11 71.24-119.81 -10.17 68.93-118.82 -10.14 69.67-120.92 -9.13 69.06-120.34 -7.72 68.75 3 0 29.49-999 ?-999 ?-999 ? CL CL C 584 mVAL.C 257 -119.97 -11.10 68.00-120.82 -11.01 67.47-118.46 -12.14 66.36-119.23 -12.25 65.40-118.99 -12.14 67.79-119.58 -13.54 68.12 3 0 26.85-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 258 -117.14 -12.01 66.18-116.61 -11.92 67.02-116.71 -13.32 64.10-116.70 -14.39 64.72-116.55 -12.00 64.83-115.09 -11.65 65.10 3 0 24.95-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 259 -116.87 -13.25 62.78-116.86 -12.32 62.41-115.78 -15.33 62.08-114.67 -14.84 61.90-117.04 -14.46 61.97-117.33 -14.10 60.50 2 0 25.60-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 260 -115.95 -16.63 62.37-116.91 -16.89 62.48-113.91 -17.74 61.31-112.79 -18.22 61.47-114.85 -17.59 62.50-115.58 -18.89 62.83 3 0 23.04-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 261 -114.35 -17.35 60.11-115.28 -16.98 60.11-112.53 -16.28 58.84-111.57 -16.31 58.07-113.49 -17.46 58.93-114.30 -17.52 57.63 2 0 23.19-999 ?-999 ?-999 ? CL CL C 584 mLYS.C 262 -112.82 -15.24 59.62-113.64 -15.35 60.18-110.68 -14.33 60.34-110.66 -14.99 61.39-111.99 -14.04 59.64-112.69 -12.88 60.35 2 0 21.99-999 ?-999 ?-999 ? CL CL C 584 mSER~C 263 -109.60 -13.85 59.75-109.78 -13.36 58.89-108.23 -13.30 61.65-109.13 -12.52 61.98-108.26 -14.02 60.31-107.21 -13.41 59.40 2 0 18.53-999 ?-999 ?-999 ? CL CL C 584 mCYH~C 264 -107.18 -13.54 62.41-106.50 -14.16 62.02-107.05 -11.42 63.63-107.68 -10.75 64.45-107.07 -12.94 63.71-105.83 -13.45 64.42 2 0 16.34-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 265 -106.33 -10.88 62.65-105.85 -11.53 62.07-107.71 -8.93 62.26-108.19 -8.03 62.94-106.28 -9.43 62.49-105.39 -9.04 61.30 3 0 17.71-999 ?-999 ?-999 ? CL CL C 584 mGLU~C 266 -108.39 -9.54 61.29-107.89 -10.26 60.80-110.59 -9.16 62.27-111.35 -8.23 62.51-109.75 -9.15 61.01-110.34 -10.09 59.98 2 0 21.14-999 ?-999 ?-999 ? CL CL C 584 mGLN~C 267 -110.45 -10.21 63.06-109.80 -10.90 62.75-110.85 -9.19 65.26-111.74 -8.56 65.82-111.20 -10.32 64.30-110.97 -11.69 64.95 2 0 20.74-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 268 -109.57 -8.93 65.45-108.92 -9.51 64.95-109.88 -6.53 65.89-110.48 -5.83 66.70-109.20 -7.84 66.35-107.68 -7.65 66.38 3 0 19.76-999 ?-999 ?-999 ? CL CL C 584 mASP~C 269 -109.78 -6.23 64.59-109.25 -6.89 64.06-111.88 -5.03 64.35-112.38 -4.07 64.95-110.39 -5.03 64.00-110.20 -5.03 62.47 2 0 22.81-999 ?-999 ?-999 ? CL CL C 584 mTYR~C 270 -112.59 -6.09 63.97-112.06 -6.80 63.50-114.29 -5.81 65.69-115.03 -4.87 65.95-114.02 -6.20 64.24-114.50 -7.63 63.98 3 0 25.03-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 271 -113.67 -6.53 66.63-113.10 -7.26 66.27-113.54 -4.77 68.37-114.34 -4.09 69.00-113.85 -6.24 68.04-112.94 -7.14 68.87 3 0 24.31-999 ?-999 ?-999 ? CL CL C 584 mGLU~C 272 -112.37 -4.28 67.94-111.81 -4.94 67.44-113.04 -1.92 67.65-113.46 -1.01 68.36-111.99 -2.89 68.18-110.64 -2.58 67.53 2 0 24.72-999 ?-999 ?-999 ? CL CL C 584 mGLN~C 273 -113.47 -2.13 66.40-113.04 -2.91 65.94-115.71 -1.16 66.67-116.14 -0.06 67.03-114.47 -1.27 65.79-114.88 -1.82 64.42 2 0 27.90-999 ?-999 ?-999 ? CL CL C 584 mALA~C 274 -116.27 -2.31 67.01-115.81 -3.12 66.64-117.22 -1.77 69.21-118.01 -0.97 69.70-117.46 -2.38 67.85-117.89 -3.83 68.02 2 0 29.43-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 275 -116.12 -2.15 69.83-115.56 -2.81 69.32-115.67 -0.11 71.10-115.82 0.56 72.12-115.78 -1.64 71.14-114.48 -2.28 71.59 3 0 28.45-999 ?-999 ?-999 ? CL CL C 584 mASN~C 276 -115.41 0.43 69.92-115.32 -0.24 69.18-116.61 2.58 69.86-116.68 3.75 70.25-115.27 1.87 69.72-114.71 2.15 68.33 2 0 30.27-999 ?-999 ?-999 ? CL CL C 584 mVAL~C 277 -117.68 1.87 69.52-117.47 0.94 69.22-119.54 2.32 71.01-120.27 3.18 71.46-119.01 2.42 69.60-119.96 1.65 68.68 3 0 33.46-999 ?-999 ?-999 ? CL CL C 584 mVAL~C 278 -119.15 1.26 71.70-118.53 0.65 71.21-118.98 2.00 74.04-119.47 2.18 75.15-119.61 1.04 73.06-119.28 -0.38 73.54 3 0 33.26-999 ?-999 ?-999 ? CL CL C 584 mASN~C 279 -117.86 2.60 73.63-117.57 2.33 72.71-117.82 4.91 74.38-117.18 5.93 74.11-117.13 3.54 74.47-115.69 3.63 73.99 2 0 33.11-999 ?-999 ?-999 ? CL CL C 584 mLYS.C 280 -119.14 4.89 74.63-119.46 3.97 74.84-119.37 7.43 74.52-119.60 8.17 73.55-120.03 6.05 74.59-120.99 5.99 75.80 2 0 36.93-999 ?-999 ?-999 ? CL CL C 584 mASN.C 281 -118.59 7.80 75.53-118.51 7.13 76.27-118.87 10.27 75.70-118.95 10.85 76.79-117.92 9.09 75.50-117.15 9.19 74.17 2 0 37.72-999 ?-999 ?-999 ? CL CL C 584 mVAL.C 293 -114.40 13.47 75.57-114.84 14.11 74.95-114.42 11.13 76.67-115.43 11.00 77.37-113.74 12.52 76.49-113.61 13.14 77.90 3 0 37.29-999 ?-999 ?-999 ? CO CO A 601 mPRO.C 294 -113.84 10.07 76.06-113.01 10.30 75.56-114.38 8.16 77.58-113.49 8.48 78.37-114.37 8.71 76.15-113.44 7.93 75.23 3 0 35.29-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 295 -115.39 7.34 77.90-116.02 7.17 77.14-114.29 6.03 79.69-114.00 5.95 80.89-115.55 6.75 79.23-116.75 5.79 79.25 2 0 35.26-999 ?-999 ?-999 ? CL CL C 584 mILE.C 296 -113.53 5.52 78.72-113.92 5.64 77.81-111.28 5.20 77.87-111.56 4.97 76.69-112.26 4.84 78.98-112.43 3.31 79.04 3 0 31.74-999 ?-999 ?-999 ? CL CL C 584 mPRO~C 297 -110.11 5.76 78.23-110.00 5.88 79.21-108.85 5.10 76.15-108.39 4.00 76.43-109.09 6.15 77.24-107.86 6.40 78.11 3 0 30.49-999 ?-999 ?-999 ? CL CL C 584 mARG~C 298 -109.13 5.46 74.90-109.47 6.39 74.81-107.66 3.70 73.85-107.66 2.51 73.54-108.95 4.53 73.78-108.99 5.31 72.46 2 0 28.42-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 299 -106.57 4.33 74.28-106.71 5.29 74.50-105.35 2.49 75.41-104.88 1.39 75.13-105.29 3.64 74.40-104.22 4.63 74.85 3 0 25.87-999 ?-999 ?-999 ? CL CL C 584 mALA~C 300 -105.92 2.77 76.58-106.24 3.71 76.66-106.80 0.55 77.10-106.44 -0.59 77.39-106.04 1.77 77.63-106.76 2.36 78.84 2 0 25.46-999 ?-999 ?-999 ? CL CL C 584 mVAL~C 301 -107.85 0.81 76.33-108.05 1.78 76.19-107.75 -1.04 74.77-107.42 -2.19 75.00-108.63 -0.27 75.75-109.86 0.26 74.99 3 0 24.85-999 ?-999 ?-999 ? CL CL C 584 mARG~C 302 -107.36 -0.38 73.69-107.67 0.57 73.64-105.40 -1.83 73.28-105.09 -2.93 72.82-106.54 -1.03 72.67-105.97 0.00 71.70 2 0 22.41-999 ?-999 ?-999 ? CL CL C 584 mGLU~C 303 -104.79 -1.29 74.32-105.16 -0.40 74.61-104.10 -3.31 75.54-103.48 -4.34 75.25-103.68 -1.95 74.97-103.12 -1.06 76.08 2 0 20.49-999 ?-999 ?-999 ? CL CL C 584 mALA~C 304 -105.17 -3.31 76.34-105.56 -2.40 76.49-106.07 -5.57 75.89-105.88 -6.76 76.09-105.70 -4.53 76.95-106.93 -4.19 77.77 2 0 20.30-999 ?-999 ?-999 ? CL CL C 584 mMETC 305 -106.60 -5.09 74.77-106.68 -4.09 74.77-105.84 -6.66 73.06-105.81 -7.89 72.98-107.01 -5.93 73.67-107.65 -5.08 72.59 2 0 19.31-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 306 -104.88 -5.88 72.59-105.05 -4.90 72.68-102.99 -7.34 72.96-102.56 -8.43 72.59-103.70 -6.44 71.98-102.76 -5.33 71.57 3 0 16.38-999 ?-999 ?-999 ? CL CL C 584 mASN~C 307 -102.86 -6.92 74.22-103.25 -6.03 74.44-102.82 -9.14 75.22-102.14 -10.16 75.27-102.18 -7.79 75.16-102.15 -7.20 76.55 2 0 15.20-999 ?-999 ?-999 ? CL CL C 584 mALA~C 308 -104.15 -9.14 75.22-104.56 -8.23 75.19-104.63 -11.12 73.97-104.21 -12.27 73.99-104.90 -10.37 75.27-106.37 -10.07 75.41 2 0 15.50-999 ?-999 ?-999 ? CL CL C 584 mMETC 309 -104.85 -10.47 72.84-105.17 -9.53 72.96-103.24 -11.73 71.42-103.10 -12.82 70.85-104.63 -11.09 71.54-104.80 -10.03 70.45 2 0 13.97-999 ?-999 ?-999 ? CL CL C 584 mILE~C 310 -102.23 -11.06 71.96-102.52 -10.22 72.41-100.44 -12.54 72.98 -99.84 -13.57 72.67-100.84 -11.52 71.91 -99.88 -10.32 72.02 3 0 10.80-999 ?-999 ?-999 ? CL CL C 584 mHIS~C 311 -100.75 -12.23 74.24-101.22 -11.36 74.35-101.47 -14.10 75.70-101.45 -14.65 76.79-100.40 -13.12 75.33-100.01 -12.31 76.56 3 0 10.78-999 ?-999 ?-999 ? CL CL C 584 mARG~C 312 -102.42 -14.30 74.79-102.30 -13.75 73.97-102.89 -16.62 75.17-101.68 -16.73 75.36-103.52 -15.24 74.97-104.38 -15.23 73.70 2 0 12.22-999 ?-999 ?-999 ? CL CL C 584 mASP.C 313 -103.70 -17.68 75.15-104.67 -17.47 75.05-103.14 -19.66 73.89-102.24 -20.43 73.57-103.15 -19.02 75.28-103.97 -19.89 76.25 2 0 11.55-999 ?-999 ?-999 ? CL CL C 584 mTRP.C 314 -104.13 -19.35 73.07-104.81 -18.73 73.46-104.24 -21.38 71.58-104.60 -21.89 70.53-104.19 -19.88 71.71-103.01 -19.37 70.89 3 0 11.41-999 ?-999 ?-999 ? CL CL C 584 mASN.C 315 -103.85 -22.08 72.64-103.56 -21.53 73.42-105.19 -23.97 73.27-105.53 -25.14 73.30-103.88 -23.54 72.64-102.69 -24.08 73.44 2 0 12.26-999 ?-999 ?-999 ? CL CL C 584 mARG.C 316 -105.94 -22.98 73.76-105.53 -22.08 73.67-108.31 -22.86 73.36-108.07 -22.08 72.43-107.23 -23.20 74.38-107.37 -22.31 75.61 2 0 15.63-999 ?-999 ?-999 ? CL CL C 584 mSER.C 317 -109.50 -23.43 73.54-109.55 -24.01 74.35-111.35 -21.92 72.87-111.49 -21.08 71.98-110.62 -23.22 72.61-111.63 -24.35 72.76 2 0 18.41-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 318 -111.81 -21.77 74.11-111.61 -22.54 74.72-111.97 -19.27 74.05-110.81 -18.94 74.33-112.56 -20.60 74.53-112.75 -20.60 76.05 2 0 20.22-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 319 -112.77 -18.48 73.32-113.68 -18.86 73.17-112.07 -16.22 73.93-112.49 -16.44 75.06-112.35 -17.19 72.80-113.55 -16.74 71.97 3 0 19.62-999 ?-999 ?-999 ? CL CL C 584 mILE^C 320 -111.36 -15.15 73.61-111.04 -15.10 72.66-112.43 -13.55 74.92-113.14 -13.12 74.01-111.07 -14.15 74.61-110.18 -13.06 74.06 3 0 19.24-999 ?-999 ?-999 ? CL CL C 584 mASP^C 321 -112.79 -13.53 76.20-112.12 -13.90 76.84-114.00 -11.56 77.09-113.51 -11.32 78.19-114.09 -12.99 76.58-114.74 -13.87 77.65 2 0 22.87-999 ?-999 ?-999 ? CL CL C 584 mVAL^C 322 -114.49 -10.62 76.30-114.85 -10.93 75.43-115.90 -8.73 76.91-116.75 -8.87 76.03-114.47 -9.23 76.72-113.69 -8.34 75.71 3 0 24.44-999 ?-999 ?-999 ? CL CL C 584 mARG^C 323 -116.17 -8.17 78.08-115.41 -8.14 78.73-117.40 -6.18 78.79-116.47 -5.79 79.50-117.49 -7.64 78.36-118.21 -8.49 79.42 2 0 28.18-999 ?-999 ?-999 ? CL CL C 584 mTRP^C 324 -118.37 -5.39 78.35-119.05 -5.87 77.79-119.66 -3.63 79.49-120.79 -3.84 79.07-118.43 -3.97 78.65-118.48 -3.20 77.34 3 0 30.67-999 ?-999 ?-999 ? CL CL C 584 mILE^C 325 -119.41 -3.07 80.67-118.44 -2.95 80.87-120.88 -1.23 81.36-120.30 -0.34 81.96-120.48 -2.68 81.59-120.00 -2.81 83.03 3 0 33.90-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 326 -121.89 -1.00 80.52-122.32 -1.83 80.15-122.50 1.35 81.34-122.00 2.47 81.28-122.33 0.36 80.20-123.63 0.35 79.39 2 0 36.46-999 ?-999 ?-999 ? CL CL C 584 mLEU.C 327 -123.23 0.93 82.37-123.57 -0.01 82.29-122.29 2.14 84.35-122.04 3.32 84.63-123.49 1.79 83.50-124.58 1.18 84.37 3 0 39.19-999 ?-999 ?-999 ? CL CL C 584 mASP.C 328 -121.54 1.13 84.77-121.86 0.23 84.47-119.13 1.72 84.77-118.01 1.74 85.28-120.36 1.34 85.61-120.05 0.09 86.42 2 0 37.39-999 ?-999 ?-999 ? CL CL C 584 mSER.C 329 -119.37 2.02 83.50-120.34 1.97 83.25-117.06 1.62 82.79-115.99 2.19 83.01-118.33 2.40 82.55-118.05 3.90 82.64 2 0 35.32-999 ?-999 ?-999 ? CL CL C 584 mTHR^C 330 -117.17 0.29 82.76-118.09 -0.05 82.58-115.89 -1.67 81.95-116.89 -2.13 81.41-116.01 -0.55 82.99-116.00 -1.11 84.45 2 0 32.11-999 ?-999 ?-999 ? CL CL C 584 mLEU^C 331 -114.65 -2.05 81.64-113.94 -1.56 82.14-113.52 -4.22 81.29-112.55 -3.97 82.00-114.37 -3.11 80.68-113.68 -2.53 79.43 3 0 28.58-999 ?-999 ?-999 ? CL CL C 584 mILE^C 332 -113.91 -5.46 81.00-114.70 -5.52 80.40-112.77 -7.52 80.39-113.56 -7.82 79.49-113.21 -6.63 81.53-114.14 -7.43 82.44 3 0 26.29-999 ?-999 ?-999 ? CL CL C 584 mVAL^C 333 -111.51 -7.94 80.41-110.97 -7.63 81.19-110.44 -10.12 79.89-109.32 -10.16 80.38-111.01 -8.81 79.36-109.94 -8.08 78.53 3 0 22.65-999 ?-999 ?-999 ? CL CL C 584 mARG^C 334 -111.24 -11.19 79.80-112.13 -10.99 79.40-110.09 -13.22 79.12-110.60 -13.37 78.00-110.84 -12.53 80.24-112.05 -13.41 80.56 2 0 21.56-999 ?-999 ?-999 ? CL CL C 584 mSER^C 335 -108.88 -13.65 79.44-108.60 -13.46 80.38-107.70 -15.73 78.91-107.16 -15.94 80.00-108.07 -14.33 78.47-106.80 -13.54 78.19 2 0 17.92-999 ?-999 ?-999 ? CL CL C 584 mPRO^C 336 -107.98 -16.72 78.05-108.41 -16.44 77.19-106.16 -18.25 78.67-105.31 -17.70 77.95-107.65 -18.09 78.39-108.11 -18.87 77.16 3 0 17.00-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 337 -105.85 -19.00 79.72-106.64 -19.38 80.21-104.17 -18.53 81.41-104.91 -17.65 81.83-104.47 -19.23 80.10-999.99-999.99-999.99 1 0 15.45-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 338 -103.08 -18.94 82.05-102.57 -19.68 81.61-101.31 -17.72 83.16-100.80 -17.63 82.04-102.69 -18.33 83.30-999.99-999.99-999.99 1 0 16.65-999 ?-999 ?-999 ? CL CL C 584 mPHE.C 339 -100.71 -17.31 84.27-101.25 -17.44 85.10 -98.30 -17.77 84.05 -98.35 -18.84 84.66 -99.38 -16.71 84.24 -99.13 -15.95 85.54 3 0 15.94-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 340 -97.29 -17.47 83.21 -97.35 -16.57 82.78 -95.40 -18.73 84.21 -94.37 -18.11 84.48 -96.20 -18.42 82.95 -95.37 -17.70 81.89 3 0 13.57-999 ?-999 ?-999 ? CL CL C 584 mALA.C 341 -95.91 -19.70 84.98 -96.76 -20.09 84.60 -93.97 -19.51 86.53 -92.91 -20.08 86.25 -95.31 -20.17 86.23 -95.15 -21.70 86.19 2 0 16.70-999 ?-999 ?-999 ? CL CL C 584 mALA.C 342 -94.03 -18.32 87.10 -94.96 -18.00 87.27 -93.26 -16.12 87.75 -92.58 -15.41 88.50 -92.84 -17.55 87.44 -91.85 -17.55 86.27 2 0 17.72-999 ?-999 ?-999 ? CL CL C 584 mILE.C 343 -94.39 -15.70 87.17 -94.83 -16.39 86.60 -96.18 -14.35 88.21 -96.97 -15.29 88.18 -94.91 -14.35 87.36 -95.23 -13.68 85.99 3 0 18.21-999 ?-999 ?-999 ? CL CL C 584 mTHR.C 344 -96.36 -13.27 88.98 -95.63 -12.59 88.91 -98.19 -11.78 89.59 -97.61 -10.91 88.93 -97.52 -13.14 89.84 -97.11 -13.27 91.34 2 0 21.31-999 ?-999 ?-999 ? CL CL C 584 mSER.C 345 -99.41 -11.61 90.11 -99.75 -12.41 90.61 -99.34 -9.13 90.36 -99.62 -8.02 89.90-100.16 -10.36 89.94-101.46 -10.41 90.76 2 0 22.96-999 ?-999 ?-999 ? CL CL C 584 mGLU.C 346 -98.34 -9.34 91.21 -98.25 -10.30 91.50 -96.07 -8.37 91.10 -95.07 -8.13 91.79 -97.47 -8.26 91.69 -97.36 -8.29 93.22 2 0 24.68-999 ?-999 ?-999 ? CL CL C 584 mASN.C 347 -96.00 -8.73 89.83 -96.88 -8.88 89.38 -94.89 -8.80 87.65 -93.92 -8.92 86.90 -94.72 -8.89 89.16 -94.12 -10.24 89.54 2 0 21.78-999 ?-999 ?-999 ? CL CL C 584 mVAL.C 348 -96.12 -8.59 87.22 -96.80 -8.50 87.95 -96.02 -7.18 85.16 -95.58 -7.16 84.01 -96.44 -8.49 85.80 -97.96 -8.69 85.57 3 0 19.29-999 ?-999 ?-999 ? CL CL C 584 mLEU.C 349 -96.15 -6.08 85.90 -96.52 -6.24 86.81 -94.28 -4.63 85.08 -93.85 -3.67 84.42 -95.78 -4.76 85.37 -96.19 -3.64 86.35 3 0 21.08-999 ?-999 ?-999 ? CL CL C 584 mSER.C 350 -93.49 -5.59 85.57 -93.98 -6.30 86.07 -91.63 -6.65 84.35 -90.61 -6.51 83.68 -92.05 -5.59 85.36 -91.33 -5.86 86.69 2 0 20.37-999 ?-999 ?-999 ? CL CL C 584 mASN.C 351 -92.43 -7.71 84.22 -93.23 -7.70 84.83 -92.02 -8.25 81.86 -92.59 -7.21 81.53 -92.13 -8.78 83.28 -93.20 -9.86 83.32 2 0 16.76-999 ?-999 ?-999 ? CL CL C 584 mARG.C 352 -91.28 -8.96 81.01 -90.87 -9.78 81.42 -91.04 -9.79 78.71 -91.12 -9.66 77.49 -91.08 -8.57 79.62 -89.77 -7.78 79.48 2 0 14.24-999 ?-999 ?-999 ? CL CL C 584 mALA.C 353 -90.92 -10.97 79.32 -90.86 -10.91 80.31 -92.30 -12.64 78.18 -93.18 -12.80 79.03 -90.89 -12.23 78.58 -90.24 -13.31 79.43 2 0 11.11-999 ?-999 ?-999 ? CL CL C 584 mALA.C 354 -92.51 -12.80 76.88 -91.71 -12.65 76.30 -93.95 -14.68 76.21 -92.96 -15.41 76.24 -93.82 -13.18 76.36 -94.06 -12.52 75.01 2 0 8.61-999 ?-999 ?-999 ? CL CL C 584 mARG.C 355 -95.19 -15.14 76.06 -95.90 -14.43 76.07 -95.09 -16.95 74.47 -94.44 -17.97 74.25 -95.46 -16.55 75.88 -96.93 -16.83 76.15 2 0 6.92-999 ?-999 ?-999 ? CL CL C 584 mTYR~C 356 -95.48 -16.13 73.50 -96.00 -15.33 73.81 -94.29 -15.33 71.50 -94.77 -14.45 70.79 -95.17 -16.42 72.11 -96.46 -16.54 71.30 3 0 3.89-999 ?-999 ?-999 ? CL CL C 584 mPRO~C 357 -92.99 -15.39 71.76 -92.69 -16.15 72.33 -92.27 -14.18 69.71 -92.30 -13.05 69.25 -92.10 -14.38 71.21 -90.72 -14.92 71.56 3 0 -4.60-999 ?-999 ?-999 ? CL CL C 584s mALA~C 358 -92.40 -15.26 68.96 -92.39 -16.13 69.46 -93.79 -14.37 67.14 -93.76 -13.57 66.20 -92.55 -15.15 67.52 -92.60 -16.52 66.90 2 0 -4.18-999 ?-999 ?-999 ? CL CL C 584s mLEU~C 359 -94.87 -14.60 67.88 -94.71 -15.28 68.60 -96.07 -12.48 68.10 -96.52 -11.58 67.40 -96.17 -13.94 67.66 -97.27 -14.65 68.48 3 0 6.04-999 ?-999 ?-999 ? CL CL C 584 mALA~C 360 -95.47 -12.27 69.27 -95.15 -13.10 69.72 -94.50 -10.08 68.87 -94.89 -8.95 68.56 -95.30 -10.94 69.82 -94.61 -11.01 71.16 2 0 8.04-999 ?-999 ?-999 ? CL CL C 584 mASP~C 361 -93.37 -10.59 68.40 -93.14 -11.51 68.71 -93.33 -9.54 66.18 -93.19 -8.47 65.61 -92.57 -9.80 67.48 -91.25 -10.48 67.16 2 0 9.14-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 362 -94.11 -10.50 65.70 -94.16 -11.35 66.23 -95.72 -9.02 64.64 -95.88 -8.24 63.69 -94.84 -10.26 64.47 -95.68 -11.48 64.08 3 0 10.08-999 ?-999 ?-999 ? CL CL C 584 mTYR~C 363 -96.29 -8.82 65.82 -96.09 -9.52 66.51 -96.31 -6.36 66.00 -96.78 -5.35 65.49 -97.13 -7.64 66.06 -97.85 -7.75 67.41 3 0 12.32-999 ?-999 ?-999 ? CL CL C 584 mARG~C 364 -95.08 -6.40 66.53 -94.83 -7.27 66.94 -93.84 -4.98 65.03 -93.65 -3.84 64.61 -94.22 -5.22 66.47 -92.93 -5.43 67.27 2 0 13.87-999 ?-999 ?-999 ? CL CL C 584 mALA~C 365 -93.71 -6.05 64.26 -93.88 -6.92 64.71 -94.42 -5.12 62.13 -94.12 -4.29 61.27 -93.33 -5.91 62.86 -93.13 -7.28 62.22 2 0 14.49-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 366 -95.67 -5.39 62.49 -95.76 -6.09 63.20 -96.98 -3.30 62.47 -97.79 -2.52 61.98 -96.82 -4.71 61.89 -98.10 -5.50 62.14 3 0 16.45-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 367 -96.20 -2.99 63.49 -95.58 -3.72 63.79 -97.57 -1.56 64.90 -98.19 -0.50 64.92 -96.28 -1.69 64.12-999.99-999.99-999.99 1 0 18.17-999 ?-999 ?-999 ? CL CL C 584 mLEU.C 368 -97.98 -2.64 65.56 -97.38 -3.44 65.50 -99.06 -2.52 67.81-100.05 -2.38 68.52 -99.21 -2.60 66.31-100.06 -3.81 65.92 3 0 17.55-999 ?-999 ?-999 ? CL CL C 584 mVAL.C 369 -97.83 -2.57 68.32 -97.11 -2.66 67.64 -96.26 -1.88 70.10 -95.36 -1.86 69.26 -97.61 -2.51 69.76 -97.65 -3.90 70.38 3 0 16.78-999 ?-999 ?-999 ? CL CL C 584 mASP.C 370 -96.12 -1.37 71.32 -96.93 -1.47 71.90 -93.80 -1.76 71.99 -93.94 -2.90 71.58 -94.88 -0.73 71.75 -95.10 0.05 73.03 2 0 18.12-999 ?-999 ?-999 ? CL CL C 584 mLYS.C 371 -92.73 -1.37 72.67 -92.74 -0.41 72.98 -92.12 -3.51 73.73 -91.93 -4.65 73.31 -91.64 -2.30 72.93 -90.50 -1.60 73.66 2 0 16.71-999 ?-999 ?-999 ? CL CL C 584 mGLN~C 372 -92.73 -3.27 74.89 -92.81 -2.30 75.14 -93.83 -3.88 77.00 -95.04 -3.94 77.22 -93.24 -4.38 75.69 -92.14 -5.39 75.99 2 0 15.46-999 ?-999 ?-999 ? CL CL C 584 mGLY~C 373 -92.96 -3.40 77.87 -92.00 -3.43 77.60 -94.19 -1.60 78.86 -95.18 -1.28 79.52 -93.43 -2.89 79.14-999.99-999.99-999.99 1 0 18.35-999 ?-999 ?-999 ? CL CL C 584 mVAL~C 374 -93.72 -0.87 77.85 -92.92 -1.26 77.39 -95.86 0.23 77.32 -96.63 1.11 77.70 -94.34 0.39 77.47 -93.75 0.94 76.14 3 0 20.59-999 ?-999 ?-999 ? CL CL C 584 mGLY~C 375 -96.27 -0.91 76.78 -95.55 -1.55 76.52 -98.47 -1.05 77.88 -99.25 -0.12 78.08 -97.69 -1.16 76.59-999.99-999.99-999.99 1 0 19.35-999 ?-999 ?-999 ? CL CL C 584 mVAL~C 376 -98.27 -2.01 78.77 -97.60 -2.71 78.51 -98.72 -0.73 80.83 -99.64 -0.14 81.39 -98.98 -2.01 80.03 -98.60 -3.23 80.86 3 0 20.45-999 ?-999 ?-999 ? CL CL C 584 mASP~C 377 -97.47 -0.30 80.90 -96.79 -0.85 80.40 -97.93 2.12 81.16 -98.40 2.92 81.97 -97.16 0.91 81.65 -95.67 1.21 81.61 2 0 23.26-999 ?-999 ?-999 ? CL CL C 584 mARG~C 378 -98.07 2.26 79.85 -97.63 1.56 79.29-100.29 3.22 79.63-101.05 4.19 79.72 -98.81 3.40 79.31 -98.62 3.51 77.79 2 0 24.72-999 ?-999 ?-999 ? CL CL C 584 mMETC 379 -100.70 1.96 79.79 -99.99 1.26 79.67-102.39 2.19 81.49-103.36 2.91 81.69-102.08 1.66 80.11-102.32 0.17 80.08 2 0 24.53-999 ?-999 ?-999 ? CL CL C 584 mTYR~C 380 -101.55 1.82 82.46-100.81 1.22 82.16-101.69 3.79 83.91-102.59 4.41 84.47-101.72 2.28 83.82-100.62 1.74 84.71 3 0 26.67-999 ?-999 ?-999 ? CL CL C 584 mGLN~C 381 -100.63 4.39 83.37 -99.97 3.77 82.94-101.74 6.49 82.86-102.33 7.35 83.50-100.49 5.83 83.42 -99.25 6.28 82.64 2 0 29.01-999 ?-999 ?-999 ? CL CL C 584 mALA~C 382 -102.14 6.08 81.66-101.57 5.36 81.26-104.49 6.69 81.99-105.20 7.69 82.07-103.31 6.65 81.02-103.67 5.83 79.79 2 0 29.54-999 ?-999 ?-999 ? CL CL C 584 mMETC 383 -104.68 5.60 82.73-104.02 4.86 82.56-105.50 6.45 84.85-106.36 7.23 85.24-105.76 5.51 83.70-105.88 4.09 84.24 2 0 30.66-999 ?-999 ?-999 ? CL CL C 584 mILE~C 384 -104.31 6.36 85.42-103.68 5.70 85.02-104.17 8.69 86.21-104.85 9.41 86.94-104.00 7.21 86.54-102.57 6.99 87.01 3 0 32.73-999 ?-999 ?-999 ? CL CL C 584 mALA~C 385 -103.57 9.13 85.11-103.10 8.41 84.60-105.00 11.19 84.65-105.10 12.42 84.75-103.62 10.54 84.70-102.93 10.70 83.33 2 0 31.92-999 ?-999 ?-999 ? CO CO A 601 mLEU~C 386 -106.04 10.37 84.50-105.78 9.41 84.43-108.16 10.69 85.78-109.37 10.91 85.87-107.42 10.85 84.44-108.19 10.13 83.33 3 0 34.59-999 ?-999 ?-999 ? CO CO A 601 mGLY.C 387 -107.42 10.29 86.82-106.45 10.12 86.61-108.67 8.80 88.40-109.10 8.54 89.53-108.00 10.13 88.14-999.99-999.99-999.99 1 0 36.90-999 ?-999 ?-999 ? CO CO A 601 mHIS.C 388 -108.78 7.96 87.37-108.42 8.32 86.51-108.43 5.74 88.28-107.29 6.10 88.54-109.39 6.63 87.51-109.64 6.00 86.14 3 0 34.96-999 ?-999 ?-999 ? CL CL C 584 mARG.C 389 -108.91 4.56 88.64-109.86 4.39 88.38-107.27 2.79 88.38-107.72 2.48 87.28-108.08 3.62 89.37-108.96 2.71 90.24 2 0 33.28-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 390 -106.04 2.42 88.76-105.78 2.72 89.68-105.86 0.33 87.47-106.68 -0.22 88.21-105.19 1.63 87.88-103.94 1.40 88.72 3 0 29.80-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 391 -105.54 -0.18 86.28-104.87 0.35 85.75-105.74 -2.57 86.73-104.64 -2.57 87.30-106.14 -1.42 85.82-105.59 -1.57 84.41 3 0 26.96-999 ?-999 ?-999 ? CL CL C 584 mTHR^C 392 -106.63 -3.54 86.89-107.49 -3.41 86.39-106.30 -5.95 86.89-107.28 -6.33 86.24-106.35 -4.69 87.72-107.42 -4.88 88.82 2 0 26.37-999 ?-999 ?-999 ? CL CL C 584 mILE^C 393 -105.14 -6.58 86.89-104.43 -6.15 87.43-104.63 -8.97 87.10-103.61 -8.94 87.79-104.96 -7.81 86.14-103.88 -7.62 85.05 3 0 23.00-999 ?-999 ?-999 ? CL CL C 584 mGLU^C 394 -105.51 -9.97 87.17-106.30 -9.86 86.58-105.68 -12.46 87.38-106.46 -12.49 86.44-105.29 -11.13 88.04-106.09 -10.97 89.34 2 0 23.27-999 ?-999 ?-999 ? CL CL C 584 mGLU^C 395 -105.11 -13.56 87.89-104.49 -13.38 88.65-106.62 -15.49 88.02-106.77 -15.47 89.24-105.39 -14.89 87.37-104.20 -15.83 87.60 2 0 21.85-999 ?-999 ?-999 ? CL CL C 584 mILE^C 396 -107.50 -16.04 87.20-107.26 -16.01 86.23-108.75 -18.12 87.40-108.05 -18.59 86.50-108.71 -16.64 87.72-109.96 -15.95 87.13 3 0 23.94-999 ?-999 ?-999 ? CL CL C 584 mALA.C 397 -109.56 -18.86 88.15-110.05 -18.35 88.85-110.05 -20.53 86.47-110.95 -19.89 85.92-109.71 -20.29 87.93-110.80 -20.83 88.83 2 0 24.73-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 398 -109.33 -21.45 85.85-108.62 -21.90 86.40-108.53 -22.69 83.88-108.83 -23.85 83.59-109.58 -21.76 84.45-999.99-999.99-999.99 1 0 22.36-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 399 -107.28 -22.23 83.73-106.68 -22.92 83.34-107.29 -19.78 83.13-107.69 -20.04 81.99-106.79 -20.89 84.05-105.28 -21.06 83.98 3 0 19.98-999 ?-999 ?-999 ? CL CL C 584 mPHE^C 400 -107.25 -18.56 83.64-106.87 -18.53 84.56-107.01 -16.14 83.51-106.53 -16.16 84.64-107.72 -17.36 82.94-109.21 -17.18 83.20 3 0 19.79-999 ?-999 ?-999 ? CL CL C 584 mVAL^C 401 -106.93 -15.06 82.73-107.32 -15.18 81.82-107.26 -12.71 82.80-107.49 -12.52 81.61-106.33 -13.83 83.21-104.96 -13.55 82.58 3 0 19.53-999 ?-999 ?-999 ? CL CL C 584 mGLU^C 402 -107.81 -11.98 83.77-107.55 -12.23 84.71-108.23 -9.54 83.90-107.80 -9.36 85.03-108.71 -10.89 83.44-110.13 -11.15 83.98 2 0 22.22-999 ?-999 ?-999 ? CL CL C 584 mTHR^C 403 -108.30 -8.59 82.97-108.66 -8.90 82.09-109.17 -6.39 83.34-110.04 -6.43 82.46-107.90 -7.22 83.22-107.07 -6.68 82.05 2 0 23.10-999 ?-999 ?-999 ? CL CL C 584 mTHR^C 404 -109.29 -5.64 84.43-108.52 -5.69 85.07-110.11 -3.33 84.57-109.24 -2.86 85.31-110.47 -4.81 84.62-111.15 -5.11 85.98 2 0 26.78-999 ?-999 ?-999 ? CL CL C 584 mLEU^C 405 -110.78 -2.59 83.70-111.44 -3.10 83.15-111.83 -0.45 83.96-112.87 -0.67 83.35-110.56 -1.16 83.57-110.22 -0.78 82.13 3 0 28.36-999 ?-999 ?-999 ? CL CL C 584 mVAL^C 406 -111.76 0.40 84.96-110.85 0.50 85.38-112.78 2.61 85.14-112.02 3.29 85.84-112.93 1.12 85.39-113.19 0.88 86.87 3 0 32.13-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 407 -113.51 3.11 84.15-114.11 2.45 83.69-114.54 5.48 84.19-114.79 5.73 85.37-113.42 4.53 83.80-999.99-999.99-999.99 1 0 33.92-999 ?-999 ?-999 ? CL CL C 584 mGLY.C 408 -115.21 6.04 83.19-114.91 5.77 82.27-115.81 8.41 83.42-114.96 8.77 82.61-116.28 6.97 83.46-999.99-999.99-999.99 1 0 37.22-999 ?-999 ?-999 ? CL CL C 584 mARG.C 409 -116.36 9.25 84.29-117.04 8.84 84.90-114.66 10.89 85.03-114.44 10.41 86.14-115.99 10.66 84.32-117.08 11.49 85.00 2 0 39.99-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 410 -113.75 11.64 84.39-114.04 11.97 83.49-112.54 12.86 86.18-113.39 13.75 86.19-112.43 11.93 84.97-111.69 12.57 83.81 3 0 38.42-999 ?-999 ?-999 ? CO CO A 601 mVAL~C 411 -111.70 12.66 87.19-111.07 11.89 87.08-111.05 14.86 88.01-109.84 14.89 87.78-111.75 13.54 88.35-111.10 12.90 89.62 3 0 38.55-999 ?-999 ?-999 ? CO CO A 601 mLEU~C 412 -111.83 15.95 87.99-112.78 15.76 88.21-110.07 17.71 88.43-109.06 18.06 87.83-111.32 17.29 87.66-112.43 18.34 87.89 3 0 36.69-999 ?-999 ?-999 ? CO CO A 601 mPRO~C 413 -110.13 17.69 89.78-110.99 17.41 90.19-107.64 17.39 90.03-106.57 18.00 90.02-108.92 18.08 90.51-109.28 17.74 91.97 3 0 35.85-999 ?-999 ?-999 ? CO CO A 601 mVAL~C 414 -107.74 16.13 89.62-108.66 15.74 89.67-106.19 15.83 87.71-105.03 15.74 87.32-106.57 15.40 89.13-106.80 13.88 89.16 3 0 34.08-999 ?-999 ?-999 ? CO CO A 601 mLEU~C 415 -107.17 16.30 86.95-108.07 16.32 87.38-106.10 18.02 85.55-105.19 18.17 84.73-106.90 16.74 85.59-108.20 16.95 84.82 3 0 32.21-999 ?-999 ?-999 ? CO CO A 601 mGLU~C 416 -106.45 18.95 86.43-107.21 18.71 87.02-104.42 20.08 87.23-103.47 20.80 86.95-105.74 20.23 86.49-106.63 21.32 87.12 2 0 30.65-999 ?-999 ?-999 ? CO CO A 601 mLEU~C 417 -104.37 19.14 88.18-105.22 18.63 88.31-102.10 18.48 87.93-100.92 18.80 88.07-103.14 18.90 88.94-103.35 17.77 89.96 3 0 30.20-999 ?-999 ?-999 ? CO CO A 601 mVAL~C 418 -102.54 17.75 86.91-103.52 17.57 86.92-101.33 18.43 84.92-100.30 18.43 84.25-101.64 17.29 85.88-102.25 16.08 85.13 3 0 27.89-999 ?-999 ?-999 ? CO CO A 601 mSER~C 419 -102.22 19.41 84.87-103.00 19.30 85.48-101.01 21.56 84.53-100.49 22.40 83.79-102.02 20.55 83.98-103.36 21.24 83.73 2 0 26.24-999 ?-999 ?-999 ? CO CO A 601 mSER~C 420 -100.74 21.47 85.83-101.22 20.72 86.29 -98.42 21.78 86.63 -97.52 22.38 87.22 -99.82 22.38 86.50-100.35 22.70 87.89 2 0 25.35-999 ?-999 ?-999 ? CO CO A 601 mILE^C 421 -98.27 20.58 86.08 -99.10 20.21 85.65 -95.99 20.56 85.22 -96.32 21.08 84.14 -97.00 19.86 86.10 -97.15 18.40 85.58 3 0 23.64-999 ?-999 ?-999 ? CO CO A 601 mVAL^C 422 -94.75 20.58 85.69 -94.66 20.15 86.59 -92.35 20.43 85.35 -92.12 20.11 86.52 -93.63 21.18 84.98 -93.43 22.65 85.33 3 0 20.14-999 ?-999 ?-999 ? CO CO A 601 mPRO~C 423 -91.51 20.13 84.35 -90.71 19.64 84.68 -92.94 19.82 82.33 -93.43 18.80 82.82 -91.70 20.45 82.93 -90.43 19.92 82.30 3 0 17.77-999 ?-999 ?-999 ? CO CO A 601 mGLU~C 424 -93.43 20.42 81.26 -92.90 21.23 80.98 -94.50 18.48 80.16 -95.49 17.75 80.17 -94.61 19.96 80.55 -94.82 20.82 79.30 2 0 18.75-999 ?-999 ?-999 ? CO CO A 601 mALA~C 425 -93.29 18.03 79.82 -92.57 18.72 79.86 -93.34 15.67 80.53 -93.56 14.48 80.30 -93.07 16.65 79.41 -91.64 16.47 78.91 2 0 18.72-999 ?-999 ?-999 ? CO CO A 601 mARG~C 426 -93.31 16.17 81.75 -93.13 17.15 81.81 -94.98 14.95 83.14 -95.26 13.99 83.84 -93.53 15.31 82.90 -92.94 15.97 84.13 2 0 21.45-999 ?-999 ?-999 ? CO CO A 601 mGLN~C 427 -95.92 15.68 82.53 -95.57 16.41 81.94 -97.68 13.91 82.51 -98.14 13.22 83.42 -97.32 15.38 82.74 -98.19 16.28 81.87 2 0 23.92-999 ?-999 ?-999 ? CO CO A 601 mASP.C 428 -97.46 13.42 81.30 -97.07 14.06 80.64 -96.58 11.07 81.23 -96.21 10.31 80.34 -97.77 12.02 81.01 -98.29 11.90 79.57 2 0 25.40-999 ?-999 ?-999 ? CO CO A 601 mASP~C 429 -96.00 11.12 82.43 -96.42 11.77 83.06 -95.22 9.15 83.72 -95.59 9.39 84.87 -94.85 10.29 82.77 -93.75 11.14 83.42 2 0 25.34-999 ?-999 ?-999 ? CO CO A 601 mTYR~C 430 -95.09 7.92 83.24 -94.77 7.87 82.30 -94.93 6.91 85.50 -95.69 6.67 86.42 -95.40 6.76 84.05 -94.75 5.52 83.45 3 0 28.69-999 ?-999 ?-999 ? CO CO A 601 mARG~C 431 -93.68 7.30 85.69 -93.17 7.50 84.86 -93.92 8.38 87.96 -94.44 7.97 88.99 -93.16 7.43 87.05 -91.68 7.81 87.01 2 0 28.55-999 ?-999 ?-999 ? CO CO A 601 mILE~C 432 -93.99 9.66 87.59 -93.54 9.89 86.73 -96.12 10.12 88.71 -96.66 10.32 89.79 -94.69 10.59 88.45 -94.70 12.00 87.85 3 0 28.04-999 ?-999 ?-999 ? CO CO A 601 mALA~C 433 -96.72 9.47 87.71 -96.17 9.35 86.89 -98.16 7.99 89.02 -98.97 8.14 89.93 -98.09 8.97 87.86 -98.55 8.30 86.56 2 0 30.59-999 ?-999 ?-999 ? CO CO A 601 mILE~C 434 -97.29 6.98 88.99 -96.69 6.97 88.19 -96.96 6.68 91.38 -97.61 6.41 92.39 -97.25 5.99 90.05 -96.14 4.90 89.79 3 0 32.20-999 ?-999 ?-999 ? CL CL C 584 mVAL~C 435 -95.99 7.58 91.39 -95.54 7.73 90.51 -96.85 9.03 93.17 -97.20 8.89 94.33 -95.65 8.27 92.62 -94.49 9.23 92.43 3 0 32.51-999 ?-999 ?-999 ? CO CO A 601 mLEU~C 436 -97.48 9.86 92.34 -97.10 9.92 91.41 -99.74 9.64 93.24-100.27 9.77 94.34 -98.63 10.59 92.81 -99.15 11.52 91.73 3 0 32.92-999 ?-999 ?-999 ? CO CO A 601 mTYR~C 437 -100.07 8.69 92.38 -99.56 8.66 91.52-100.90 7.07 94.04-101.84 6.80 94.77-101.14 7.77 92.72-101.35 6.72 91.64 3 0 35.82-999 ?-999 ?-999 ? CO CO A 601 mLEU~C 438 -99.64 6.76 94.32 -98.97 7.00 93.62 -99.68 7.05 96.72-100.33 6.64 97.69 -99.33 6.11 95.58 -97.85 5.74 95.65 3 0 36.33-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 439 -99.28 8.31 96.62 -98.78 8.53 95.78-101.06 9.57 97.77-101.51 10.06 98.80 -99.57 9.25 97.68 -98.74 10.53 97.51 3 0 37.37-999 ?-999 ?-999 ? CO CO A 601 mPHE~C 440 -101.81 9.31 96.71-101.32 8.94 95.92-103.89 8.52 97.66-105.07 8.61 98.00-103.26 9.56 96.74-103.91 9.40 95.36 3 0 38.68-999 ?-999 ?-999 ? CO CO A 601 mGLN.C 441 -103.09 7.52 98.04-102.16 7.59 97.68-102.98 6.64 100.31-103.71 6.84 101.28-103.55 6.44 98.91-103.04 5.09 98.39 2 0 39.88-999 ?-999 ?-999 ? CL CL C 584 mARG.C 442 -101.65 6.57 100.40-101.20 6.42 99.52-100.55 8.15 101.91-100.46 8.96 100.99-100.94 6.70 101.66 -99.68 5.83 101.63 2 0 41.51-999 ?-999 ?-999 ? CL CL C 584 mPRO.C 443 -100.32 8.50 103.18-100.43 7.76 103.85 -98.44 10.06 103.24 -98.03 11.10 102.73 -99.92 9.86 103.55-100.21 9.90 105.04 3 0 41.58-999 ?-999 ?-999 ? CO CO A 601 mPHE^C 444 -97.64 9.04 103.54 -98.10 8.25 103.95 -95.79 7.93 102.40 -96.40 6.86 102.43 -96.20 9.09 103.29 -95.41 9.03 104.60 3 0 40.07-999 ?-999 ?-999 ? CO CO A 601 mILE^C 445 -94.74 8.12 101.62 -94.31 9.02 101.69 -92.82 6.76 100.99 -92.04 7.65 101.34 -94.29 7.07 100.74 -94.50 7.48 99.26 3 0 38.34-999 ?-999 ?-999 ? CO CO A 601 mTHR~C 446 -92.43 5.50 100.85 -93.16 4.86 100.58 -90.51 4.40 99.84 -91.25 3.69 99.14 -91.05 5.12 101.06 -90.87 4.21 102.27 2 0 38.60-999 ?-999 ?-999 ? CO CO A 601 mILE~C 447 -89.22 4.58 99.60 -88.76 5.17 100.27 -88.92 2.52 98.26 -89.08 2.06 97.14 -88.54 3.98 98.46 -87.02 4.11 98.63 3 0 36.70-999 ?-999 ?-999 ? CO CO A 601 mASP~C 448 -89.08 1.79 99.36 -88.92 2.27 100.22 -90.83 0.26 98.64 -91.04 -0.60 97.78 -89.45 0.39 99.26 -89.43 -0.25 100.65 2 0 35.29-999 ?-999 ?-999 ? CL CL C 584 mVAL~C 449 -91.76 1.11 99.05 -91.44 1.76 99.74 -93.17 1.44 97.04 -93.80 0.75 96.24 -93.12 1.08 98.52 -94.03 2.06 99.26 3 0 34.88-999 ?-999 ?-999 ? CL CL C 584 mVAL~C 450 -92.51 2.54 96.71 -92.07 3.00 97.48 -91.95 1.88 94.45 -92.36 1.73 93.31 -92.45 3.01 95.34 -91.48 4.19 95.22 3 0 33.53-999 ?-999 ?-999 ? CL CL C 584 mALA~C 451 -91.04 1.09 95.00 -90.79 1.32 95.95 -91.51 -1.10 94.08 -91.68 -1.64 92.98 -90.47 -0.02 94.27 -89.28 -0.58 95.02 2 0 30.89-999 ?-999 ?-999 ? CL CL C 584 mARG~C 452 -92.21 -1.41 95.15 -91.99 -0.88 95.97 -94.37 -2.03 94.20 -95.03 -2.88 93.60 -93.22 -2.44 95.11 -93.70 -2.75 96.52 2 0 30.08-999 ?-999 ?-999 ? CL CL C 584 mGLY~C 453 -94.60 -0.72 94.09 -94.00 -0.13 94.63 -95.25 -0.39 91.76 -96.04 -0.85 90.93 -95.66 -0.23 93.22-999.99-999.99-999.99 1 0 29.94-999 ?-999 ?-999 ? CL CL C 584 mLEU~C 454 -94.01 -0.02 91.46 -93.49 0.35 92.23 -93.21 -1.59 89.82 -93.06 -2.00 88.67 -93.49 -0.14 90.10 -92.18 0.63 89.95 3 0 27.51-999 ?-999 ?-999 ? CL CL C 584 mGLN~C 455 -93.11 -2.35 90.90 -93.24 -1.87 91.76 -91.42 -3.95 90.23 -91.16 -4.91 89.52 -92.82 -3.76 90.81 -93.84 -4.44 89.89 2 0 25.78-999 ?-999 ?-999 ? CL CL C 584 mSER.C 456 -90.53 -3.02 90.54 -90.85 -2.28 91.12 -88.17 -3.01 91.18 -88.55 -2.83 92.34 -89.17 -3.14 90.05 -88.91 -2.07 88.98 2 0 25.83-999 ?-999 ?-999 ? CL CL C 584 mGLY~C 457 -86.89 -3.11 90.85 -86.71 -3.26 89.88 -85.73 -1.66 92.52 -86.21 -0.66 91.99 -85.85 -3.02 91.86-999.99-999.99-999.99 1 0 28.00-999 ?-999 ?-999 ? CL CL C 584 mLYS~C 458 -85.07 -1.63 93.67 -84.72 -2.52 93.97 -84.24 0.69 93.57 -84.27 1.87 93.93 -84.87 -0.40 94.42 -84.03 -0.68 95.67 2 0 30.78-999 ?-999 ?-999 ? CO CO C 601 mGLU~C 459 -83.65 0.31 92.44 -83.68 -0.67 92.27 -84.09 2.08 90.81 -84.11 3.31 90.87 -83.03 1.29 91.56 -82.10 0.60 90.56 2 0 27.74-999 ?-999 ?-999 ? CO CO C 601 mALA~C 460 -84.98 1.38 90.12 -84.85 0.39 90.16 -86.87 2.93 90.29 -87.43 3.94 89.86 -86.04 2.04 89.37 -86.94 1.00 88.72 2 0 28.35-999 ?-999 ?-999 ? CO CO C 601 mALA~C 461 -86.93 2.54 91.56 -86.42 1.71 91.75 -87.03 4.60 92.92 -87.68 5.65 92.94 -87.69 3.28 92.56 -87.84 2.43 93.81 2 0 31.96-999 ?-999 ?-999 ? CO CO C 601 mARG~C 462 -85.73 4.55 93.21 -85.32 3.64 93.17 -85.11 6.71 92.37 -85.29 7.92 92.55 -85.01 5.75 93.56 -83.55 5.41 93.86 2 0 31.29-999 ?-999 ?-999 ? CO CO A 601 mASN~C 463 -85.00 6.14 91.16 -84.85 5.16 91.20 -86.46 7.57 89.85 -86.56 8.79 89.66 -85.10 6.90 89.91 -84.96 5.95 88.71 2 0 28.01-999 ?-999 ?-999 ? CO CO A 601 mALA~C 464 -87.51 6.78 90.03 -87.30 5.81 90.18 -89.01 8.44 91.01 -89.50 9.52 90.68 -88.86 7.32 89.99 -89.87 6.21 90.26 2 0 28.70-999 ?-999 ?-999 ? CO CO A 601 mLEU~C 465 -88.57 8.22 92.25 -88.18 7.31 92.40 -87.94 10.55 92.87 -88.48 11.64 92.99 -88.67 9.27 93.28 -88.12 8.78 94.62 3 0 29.61-999 ?-999 ?-999 ? CO CO A 601 mGLU~C 466 -86.70 10.39 92.40 -86.36 9.45 92.38 -86.69 12.29 90.87 -86.89 13.50 90.95 -85.93 11.55 91.97 -84.55 11.12 91.47 2 0 26.53-999 ?-999 ?-999 ? CO CO A 601 mALA~C 467 -87.12 11.56 89.84 -86.90 10.59 89.89 -88.96 13.07 89.30 -89.07 14.24 88.93 -87.86 12.18 88.75 -88.45 11.11 87.85 2 0 24.29-999 ?-999 ?-999 ? CO CO A 601 mALA~C 468 -89.78 12.52 90.19 -89.57 11.57 90.42 -90.36 14.45 91.60 -90.81 15.58 91.44 -90.88 13.28 90.78 -91.74 12.37 91.65 2 0 26.24-999 ?-999 ?-999 ? CO CO A 601 mARG~C 469 -89.38 14.19 92.46 -89.09 13.23 92.48 -88.40 16.47 92.50 -88.45 17.59 93.00 -88.81 15.23 93.30 -87.60 14.69 94.04 2 0 26.44-999 ?-999 ?-999 ? CO CO A 601 mGLN~C 470 -87.97 16.25 91.25 -87.98 15.29 90.98 -88.66 17.87 89.48 -88.44 18.74 88.63 -87.54 17.34 90.38 -86.38 16.88 89.51 2 0 22.64-999 ?-999 ?-999 ? CO CO A 601 mTHR.C 471 -89.87 17.35 89.66 -89.91 16.63 90.36 -91.74 18.80 89.78 -91.92 18.53 90.97 -91.00 17.81 88.89 -91.95 16.64 88.54 2 0 22.67-999 ?-999 ?-999 ? CO CO A 601 mTHR^C 472 -92.15 19.94 89.24 -91.94 20.06 88.27 -94.25 21.22 89.59 -94.53 21.25 88.39 -92.85 20.91 90.07 -92.12 22.26 90.15 2 0 23.46-999 ?-999 ?-999 ? CO CO A 601 mVAL^C 473 -95.12 21.46 90.55 -94.76 21.38 91.48 -96.82 23.03 91.09 -96.62 23.04 92.31 -96.49 21.82 90.24 -97.45 20.66 90.55 3 0 25.55-999 ?-999 ?-999 ? CO CO A 601 mALA.C 474 -97.32 24.07 90.43 -97.41 23.94 89.44 -96.47 25.97 91.77 -96.61 26.66 92.78 -97.68 25.30 91.11 -98.74 25.01 92.16 2 0 26.45-999 ?-999 ?-999 ? CO CO A 601 mGLY.C 475 -95.29 25.76 91.21 -95.29 25.15 90.41 -93.40 25.61 92.85 -92.32 26.00 93.31 -94.10 26.38 91.76-999.99-999.99-999.99 1 0 24.64-999 ?-999 ?-999 ? CO CO A 601 mALA^C 476 -94.00 24.51 93.28 -94.88 24.30 92.85 -93.20 22.27 93.82 -93.92 21.80 92.96 -93.39 23.69 94.32 -94.27 23.69 95.57 2 0 26.66-999 ?-999 ?-999 ? CO CO A 601 mPRO^C 477 -92.19 21.58 94.36 -91.68 22.10 95.04 -92.98 19.23 94.40 -93.52 19.34 95.50 -91.87 20.20 93.99 -90.55 19.95 94.72 3 0 26.38-999 ?-999 ?-999 ? CO CO A 601 mLEU.C 478 -93.30 18.29 93.51 -92.76 18.33 92.67 -94.29 16.67 95.13 -95.27 16.66 95.87 -94.36 17.31 93.76 -94.32 16.20 92.70 3 0 28.31-999 ?-999 ?-999 ? CO CO A 601 mILE^C 479 -93.13 16.12 95.47 -92.41 16.19 94.78 -91.87 16.19 97.54 -91.05 16.92 96.97 -92.95 15.48 96.75 -92.56 14.01 96.61 3 0 30.74-999 ?-999 ?-999 ? CO CO A 601 mILE^C 480 -91.88 15.97 98.84 -92.60 15.34 99.15 -90.27 15.50 100.58 -90.89 14.48 100.88 -90.93 16.59 99.75 -91.64 17.57 100.69 3 0 32.10-999 ?-999 ?-999 ? CO CO A 601 mALA^C 481 -89.03 15.72 100.98 -88.62 16.58 100.67 -88.32 15.18 103.25 -87.55 16.05 103.63 -88.34 14.73 101.79 -86.93 14.52 101.28 2 0 33.81-999 ?-999 ?-999 ? CO CO A 601 mHIS^C 482 -89.20 14.59 104.05 -89.80 13.93 103.59 -88.82 13.63 106.20 -89.19 12.52 105.81 -89.27 14.90 105.47 -90.70 15.29 105.87 3 0 37.30-999 ?-999 ?-999 ? CO CO A 601 mASP.C 483 -88.03 13.79 107.26 -87.82 14.74 107.48 -86.85 11.69 107.01 -86.11 12.13 106.13 -87.53 12.64 108.00 -88.69 11.92 108.71 2 0 40.02-999 ?-999 ?-999 ? CO CO A 601 mGLY.C 484 -87.11 10.40 107.17 -87.72 10.17 107.93 -87.54 9.02 105.20 -87.27 8.13 104.40 -86.53 9.43 106.26-999.99-999.99-999.99 1 0 39.62-999 ?-999 ?-999 ? CO CO A 601 mVAL^C 485 -88.70 9.69 105.21 -88.76 10.39 105.91 -89.99 10.52 103.24 -89.32 11.56 103.29 -89.77 9.40 104.24 -91.12 9.15 104.94 3 0 38.57-999 ?-999 ?-999 ? CO CO A 601 mTRP^C 486 -90.95 10.31 102.35 -91.40 9.42 102.46 -92.79 11.62 101.37 -93.65 10.75 101.26 -91.30 11.26 101.31 -90.97 10.68 99.93 3 0 35.69-999 ?-999 ?-999 ? CO CO A 601 mLEU^C 487 -93.08 12.91 101.54 -92.29 13.51 101.61 -94.88 14.10 100.36 -94.04 14.43 99.53 -94.47 13.36 101.62 -94.67 14.29 102.81 3 0 36.20-999 ?-999 ?-999 ? CO CO A 601 mLEU^C 488 -96.17 14.36 100.23 -96.74 14.06 100.99 -96.60 16.56 99.31 -96.78 17.01 100.44 -96.67 15.06 99.06 -98.09 14.59 98.80 3 0 34.46-999 ?-999 ?-999 ? CO CO A 601 mGLY~C 489 -96.33 17.34 98.27 -96.21 16.86 97.40 -97.53 19.48 98.82 -98.60 19.09 98.34 -96.23 18.79 98.43-999.99-999.99-999.99 1 0 32.55-999 ?-999 ?-999 ? CO CO A 601 mASN~C 490 -97.45 20.50 99.66 -96.52 20.72 99.96 -99.47 21.85 98.98-100.62 22.23 99.19 -98.66 21.21 100.10 -98.30 22.28 101.14 2 0 34.66-999 ?-999 ?-999 ? CO CO A 601 mALA~C 491 -98.89 21.96 97.79 -97.95 21.61 97.76-100.43 21.53 95.91-101.35 21.88 95.16 -99.58 22.56 96.65 -98.58 23.19 95.70 2 0 32.20-999 ?-999 ?-999 ? CO CO A 601 mCYH~C 492 -100.14 20.25 96.14 -99.38 20.11 96.78-102.11 18.78 96.27-103.11 18.38 95.68-100.86 19.15 95.50 -99.95 17.93 95.38 2 0 32.82-999 ?-999 ?-999 ? CO CO A 601 mARG~C 493 -102.05 18.90 97.60-101.17 19.23 97.94-104.29 19.64 98.27-105.47 19.32 98.35-103.19 18.59 98.45-102.75 18.55 99.91 2 0 36.60-999 ?-999 ?-999 ? CO CO A 601 mGLU~C 494 -103.89 20.88 98.03-102.89 20.99 98.00-105.71 21.70 96.61-106.94 21.81 96.68-104.83 21.98 97.82-104.10 23.30 97.58 2 0 36.56-999 ?-999 ?-999 ? CO CO A 601 mILE~C 495 -105.07 21.34 95.50-104.08 21.29 95.60-106.82 19.94 94.46-107.90 19.97 93.86-105.78 21.05 94.25-104.79 20.62 93.13 3 0 34.95-999 ?-999 ?-999 ? CO CO A 601 mLEU~C 496 -106.50 18.98 95.33-105.60 19.11 95.74-108.36 18.18 96.78-109.58 18.16 96.59-107.38 17.85 95.65-106.54 16.63 96.06 3 0 37.73-999 ?-999 ?-999 ? CO CO A 601 mGLU~D 9 -88.22 -17.99 28.21 -87.79 -17.63 27.39 -90.29 -17.97 29.55 -90.59 -16.93 28.96 -88.87 -18.54 29.43 -88.05 -18.17 30.67 2 0 20.05-999 ?-999 ?-999 ? CL CL D 584 mGLY~D 10 -91.15 -18.65 30.30 -90.78 -19.48 30.72 -92.62 -16.91 31.30 -93.65 -16.25 31.31 -92.51 -18.17 30.46-999.99-999.99-999.99 1 0 22.68-999 ?-999 ?-999 ? CL CL D 584 mARG~D 11 -91.54 -16.60 32.01 -90.78 -17.24 31.89 -91.32 -14.15 32.06 -92.01 -13.16 32.31 -91.46 -15.43 32.88 -90.26 -15.58 33.81 2 0 20.27-999 ?-999 ?-999 ? CO CO D 601 mARG~D 12 -90.43 -14.18 31.08 -89.93 -15.04 30.99 -91.53 -12.55 29.66 -91.75 -11.35 29.52 -90.21 -13.03 30.22 -89.24 -13.38 29.08 2 0 19.23-999 ?-999 ?-999 ? CO CO D 601 mGLU~D 13 -92.43 -13.48 29.34 -92.13 -14.42 29.50 -94.51 -12.33 29.86 -95.09 -11.27 29.59 -93.74 -13.09 28.81 -94.54 -14.32 28.40 2 0 20.84-999 ?-999 ?-999 ? CO CO D 601 mGLN~D 14 -94.51 -12.88 31.07 -94.00 -13.74 31.13 -94.69 -10.85 32.40 -95.47 -9.94 32.72 -95.20 -12.27 32.19 -94.98 -13.13 33.44 2 0 18.96-999 ?-999 ?-999 ? CO CO D 601 mLEU~D 15 -93.39 -10.64 32.20 -92.88 -11.46 31.94 -93.20 -8.39 31.20 -93.68 -7.28 31.43 -92.79 -9.31 32.36 -91.26 -9.44 32.42 3 0 15.66-999 ?-999 ?-999 ? CO CO D 601 mILE~D 16 -93.03 -8.87 29.97 -92.63 -9.79 29.94 -94.82 -7.64 28.88 -95.13 -6.48 28.64 -93.38 -8.10 28.79 -93.22 -8.94 27.50 3 0 17.21-999 ?-999 ?-999 ? CO CO D 601 mALA~D 17 -95.70 -8.58 29.22 -95.31 -9.48 29.38 -97.33 -7.22 30.44 -98.24 -6.39 30.34 -97.12 -8.27 29.34 -97.88 -9.53 29.67 2 0 18.55-999 ?-999 ?-999 ? CO CO D 601 mGLN~D 18 -96.50 -7.27 31.48 -95.82 -7.99 31.44 -96.26 -4.90 32.09 -96.97 -3.93 32.38 -96.61 -6.30 32.56 -95.70 -6.70 33.73 2 0 15.23-999 ?-999 ?-999 ? CO CO D 601 mVAL~D 19 -95.16 -4.79 31.36 -94.68 -5.65 31.20 -95.77 -2.94 29.86 -96.10 -1.74 29.88 -94.72 -3.49 30.85 -93.32 -3.63 30.18 3 0 13.74-999 ?-999 ?-999 ? CO CO D 601 mGLU~D 20 -96.31 -3.82 29.01 -95.96 -4.75 29.11 -98.54 -2.82 28.74 -99.10 -1.81 28.28 -97.32 -3.42 28.04 -97.73 -4.64 27.22 2 0 17.18-999 ?-999 ?-999 ? CO CO D 601 mSER~D 21 -98.95 -3.43 29.85 -98.40 -4.23 30.10 -99.90 -1.55 31.16-100.78 -0.69 31.04-100.09 -2.97 30.64-100.31 -3.91 31.82 2 0 17.08-999 ?-999 ?-999 ? CO CO D 601 mILE~D 22 -98.74 -1.30 31.76 -98.11 -2.09 31.80 -98.45 1.06 31.21 -99.01 2.15 31.39 -98.43 0.01 32.31 -97.06 0.01 32.98 3 0 14.01-999 ?-999 ?-999 ? CO CO D 601 mLEU~D 23 -97.84 0.74 30.07 -97.43 -0.17 30.05 -99.22 1.93 28.45 -99.60 3.06 28.14 -97.82 1.69 28.98 -96.92 1.18 27.85 3 0 15.62-999 ?-999 ?-999 ? CO CO D 601 mALA~D 24 -100.01 0.86 28.37 -99.60 0.01 28.69-102.31 1.74 28.76-103.53 1.72 28.57-101.37 0.97 27.85-101.92 -0.42 27.59 2 0 18.95-999 ?-999 ?-999 ? CO CO D 601 mSER.D 25 -101.75 2.44 29.75-100.76 2.38 29.79-102.14 4.67 30.66-102.57 5.48 31.48-102.57 3.22 30.68-102.41 2.68 32.10 2 0 18.03-999 ?-999 ?-999 ? CO CO D 601 mALA.D 26 -101.26 5.01 29.72-100.99 4.26 29.11-101.92 7.37 29.49-102.77 7.22 28.62-100.77 6.37 29.62 -99.82 6.50 28.43 2 0 17.58-999 ?-999 ?-999 ? CO CO D 601 mALA.D 27 -101.94 8.38 30.35-101.18 8.37 31.01-102.45 10.63 31.01-101.72 10.52 31.99-102.97 9.39 30.31-104.23 8.88 31.01 2 0 19.69-999 ?-999 ?-999 ? CO CO D 601 mASP.D 28 -102.80 11.81 30.50-103.38 11.75 29.69-100.84 13.11 31.33-100.36 13.59 32.37-102.34 13.06 31.11-103.07 13.29 32.43 2 0 20.34-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 29 -100.11 12.62 30.33-100.65 12.27 29.56 -98.06 11.78 31.49 -97.06 12.17 32.08 -98.66 12.60 30.38-999.99-999.99-999.99 1 0 18.02-999 ?-999 ?-999 ? CO CO D 601 mARG.D 30 -98.64 10.62 31.77 -99.44 10.39 31.20 -98.75 8.40 32.79 -99.88 8.24 32.33 -98.13 9.77 32.84 -98.41 10.43 34.20 2 0 14.87-999 ?-999 ?-999 ? CO CO D 601 mVAL.D 31 -98.01 7.40 33.25 -97.10 7.65 33.56 -98.96 5.70 34.68 -98.53 6.35 35.63 -98.55 6.05 33.26 -97.53 5.01 32.79 3 0 13.63-999 ?-999 ?-999 ? CO CO D 601 mGLN.D 32 -99.79 4.68 34.81-100.05 4.23 33.96 -99.95 2.80 36.38-100.19 1.94 35.53-100.26 4.27 36.12-101.77 4.50 36.22 2 0 13.55-999 ?-999 ?-999 ? CO CO D 601 mLYS.D 33 -99.41 2.49 37.56 -99.25 3.28 38.16-100.28 0.44 38.55-101.00 1.05 39.34 -99.07 1.12 37.90 -97.86 1.09 38.85 2 0 11.94-999 ?-999 ?-999 ? CO CO D 601 mTHR.D 34 -100.51 -0.82 38.20 -99.86 -1.19 37.54-101.07 -2.58 39.79 -99.87 -2.79 39.85-101.63 -1.59 38.75-102.36 -2.34 37.61 2 0 14.85-999 ?-999 ?-999 ? CO CO D 601 mLYS.D 35 -101.94 -3.18 40.60-102.90 -2.94 40.44-100.70 -5.30 41.03 -99.81 -5.85 41.67-101.48 -4.13 41.61-102.67 -4.67 42.42 2 0 15.56-999 ?-999 ?-999 ? CO CO D 601 mGLU.D 36 -101.03 -5.68 39.80-101.76 -5.14 39.39 -99.02 -6.48 38.52 -98.25 -7.38 38.20-100.37 -6.80 39.15-101.30 -7.40 38.09 2 0 16.09-999 ?-999 ?-999 ? CO CO D 601 mTHR.D 37 -98.75 -5.19 38.35 -99.47 -4.57 38.68 -96.73 -3.79 38.65 -95.85 -3.06 38.19 -97.51 -4.74 37.73 -97.83 -4.02 36.41 2 0 12.84-999 ?-999 ?-999 ? CO CO D 601 mGLN.D 38 -97.05 -3.82 39.94 -97.76 -4.49 40.15 -94.90 -3.05 40.99 -94.21 -2.03 41.17 -96.42 -2.95 40.94 -97.00 -3.28 42.31 2 0 10.56-999 ?-999 ?-999 ? CO CO D 601 mSER.D 39 -94.39 -4.27 40.83 -95.08 -4.97 40.67 -92.11 -4.03 39.72 -90.88 -4.10 39.75 -92.94 -4.55 40.88 -92.72 -6.06 41.03 2 0 9.14-999 ?-999 ?-999 ? CO CO D 601 mVAL.D 40 -92.76 -3.51 38.68 -93.76 -3.52 38.75 -91.19 -1.83 38.11 -91.60 -1.16 39.06 -92.02 -2.98 37.55 -92.96 -2.48 36.43 3 0 7.98-999 ?-999 ?-999 ? CO CO D 601 mASP^D 41 -90.03 -1.59 37.50 -89.85 -2.19 36.72 -89.11 0.68 37.04 -88.61 0.61 35.92 -89.12 -0.55 37.96 -87.71 -1.15 38.04 2 0 -4.65-999 ?-999 ?-999 ? CO CO D 601s mPHE^D 42 -89.64 1.79 37.54 -90.01 1.70 38.46 -88.33 3.77 36.98 -88.00 4.11 38.11 -89.65 3.03 36.76 -90.78 3.96 37.21 3 0 -4.46-999 ?-999 ?-999 ? CO CO D 601s mLYS^D 43 -87.59 4.03 35.90 -87.98 3.71 35.04 -86.20 5.94 35.12 -86.56 5.87 33.95 -86.32 4.74 36.04 -85.16 3.78 35.78 2 0 5.22-999 ?-999 ?-999 ? CO CO D 601 mGLU.D 44 -85.69 7.04 35.66 -85.45 6.95 36.62 -84.05 8.44 34.47 -83.15 8.36 35.31 -85.51 8.27 34.89 -85.94 9.47 35.74 2 0 8.23-999 ?-999 ?-999 ? CO CO D 601 mGLU.D 45 -83.80 8.67 33.18 -84.61 8.72 32.59 -81.69 9.82 33.58 -82.11 10.97 33.74 -82.42 8.82 32.70 -82.40 9.28 31.23 2 0 11.27-999 ?-999 ?-999 ? CO CO D 601 mALA.D 46 -80.59 9.35 34.16 -80.37 8.41 33.93 -79.12 11.34 34.33 -79.01 11.34 33.10 -79.78 10.17 35.04 -78.72 9.31 35.71 2 0 12.12-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 47 -78.69 12.32 35.12 -78.89 12.18 36.09 -78.71 14.35 33.58 -78.12 14.70 32.55 -78.00 13.49 34.60-999.99-999.99-999.99 1 0 15.58-999 ?-999 ?-999 ? CO CO D 601 mARG.D 48 -79.96 14.71 33.85 -80.32 14.35 34.71 -81.68 16.49 33.63 -82.43 17.20 32.97 -80.72 15.55 32.93 -81.49 14.69 31.94 2 0 16.41-999 ?-999 ?-999 ? CO CO D 601 mARG^D 49 -81.65 16.49 34.95 -80.99 15.85 35.35 -81.81 18.65 36.11 -80.95 18.67 36.99 -82.52 17.35 35.75 -82.95 16.63 37.02 2 0 16.15-999 ?-999 ?-999 ? CO CO D 601 mASN^D 50 -82.18 19.73 35.42 -82.88 19.54 34.73 -82.66 21.95 36.29 -83.13 22.92 35.69 -81.60 21.05 35.65 -81.13 21.66 34.32 2 0 19.82-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 51 -83.03 21.61 37.52 -82.57 20.81 37.90 -85.43 22.00 37.76 -85.83 20.84 37.85 -84.03 22.38 38.22-999.99-999.99-999.99 1 0 20.00-999 ?-999 ?-999 ? CO CO D 601 mPRO.D 52 -86.19 22.98 37.25 -85.75 23.87 37.22 -87.63 22.05 35.42 -88.37 21.07 35.24 -87.57 22.74 36.78 -88.16 24.15 36.75 3 0 20.27-999 ?-999 ?-999 ? CO CO D 601 mGLN^D 53 -86.84 22.56 34.48 -86.30 23.34 34.80 -85.87 20.82 33.06 -85.11 20.56 33.99 -86.76 22.05 33.11 -86.19 23.11 32.19 2 0 20.66-999 ?-999 ?-999 ? CO CO D 601 mILE^D 54 -85.94 20.08 31.96 -86.61 20.40 31.28 -84.45 18.90 30.42 -85.12 19.00 29.40 -85.11 18.90 31.79 -85.91 17.59 31.99 3 0 18.53-999 ?-999 ?-999 ? CO CO D 601 mGLU.D 55 -83.12 18.79 30.41 -82.70 18.70 31.31 -82.82 17.71 28.19 -83.36 16.68 28.59 -82.39 18.80 29.15 -80.88 18.69 29.42 2 0 20.38-999 ?-999 ?-999 ? CO CO D 601 mPRO.D 56 -82.60 17.93 26.89 -82.16 18.81 26.67 -82.08 15.71 26.03 -80.93 15.82 26.45 -82.97 16.93 25.89 -82.77 17.67 24.57 3 0 20.96-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 57 -82.61 14.55 25.69 -83.56 14.59 25.37 -80.87 13.11 24.66 -81.16 13.46 23.51 -81.84 13.33 25.81-999.99-999.99-999.99 1 0 19.12-999 ?-999 ?-999 ? CO CO D 601 mLYS.D 58 -79.71 12.55 24.98 -79.61 12.34 25.95 -78.64 10.75 23.83 -79.13 10.00 24.68 -78.70 12.26 23.98 -77.33 12.77 24.42 2 0 21.17-999 ?-999 ?-999 ? CO CO D 601 mPRO.D 59 -78.04 10.28 22.73 -77.69 10.99 22.12 -76.92 8.16 23.41 -77.10 6.99 23.76 -77.91 8.85 22.46 -77.46 8.82 21.00 3 0 21.53-999 ?-999 ?-999 ? CO CO D 601 mGLU.D 60 -75.87 8.88 23.81 -75.85 9.80 23.44 -74.80 9.20 25.98 -74.89 10.43 25.92 -74.86 8.35 24.72 -73.49 8.34 24.06 2 0 21.18-999 ?-999 ?-999 ? CO CO D 601 mASN~D 61 -74.64 8.54 27.13 -74.57 7.55 27.01 -73.94 8.27 29.45 -74.65 7.57 30.18 -74.56 9.21 28.42 -75.96 9.60 28.89 2 0 19.02-999 ?-999 ?-999 ? CO CO D 601 mPRO~D 62 -72.61 8.28 29.56 -72.14 8.91 28.94 -72.40 7.51 31.97 -72.26 6.57 32.74 -71.92 7.40 30.51 -70.45 7.79 30.32 3 0 19.27-999 ?-999 ?-999 ? CO CO D 601 mGLU~D 63 -72.96 8.66 32.34 -73.01 9.35 31.62 -74.68 7.95 33.96 -74.71 7.18 34.92 -73.46 8.85 33.70 -73.81 10.32 33.92 2 0 16.89-999 ?-999 ?-999 ? CO CO D 601 mALA~D 64 -75.69 8.07 33.10 -75.53 8.74 32.37 -76.57 5.80 33.02 -77.21 4.93 33.60 -76.90 7.27 33.21 -77.92 7.72 32.16 2 0 13.80-999 ?-999 ?-999 ? CO CO D 601 mALA~D 65 -75.56 5.53 32.19 -75.14 6.33 31.78 -74.77 3.56 33.27 -75.21 2.46 33.61 -75.14 4.16 31.93 -73.94 4.15 31.02 2 0 15.31-999 ?-999 ?-999 ? CO CO D 601 mASP~D 66 -73.98 4.30 34.04 -73.71 5.18 33.63 -74.78 3.56 36.24 -75.03 2.40 36.57 -73.57 3.86 35.36 -72.66 4.92 36.00 2 0 15.06-999 ?-999 ?-999 ? CO CO D 601 mLYS~D 67 -75.55 4.59 36.60 -75.24 5.48 36.24 -77.60 3.20 37.03 -77.96 2.36 37.86 -76.74 4.40 37.44 -77.62 5.66 37.44 2 0 11.46-999 ?-999 ?-999 ? CO CO D 601 mLEU~D 68 -77.93 3.14 35.74 -77.58 3.89 35.18 -78.04 0.70 35.37 -78.67 -0.33 35.59 -78.74 2.05 35.21 -79.09 2.29 33.73 3 0 10.47-999 ?-999 ?-999 ? CO CO D 601 mALA~D 69 -76.71 0.71 35.25 -76.31 1.61 35.06 -76.22 -1.08 36.81 -76.54 -2.27 36.97 -75.96 -0.52 35.40 -74.47 -0.25 35.20 2 0 13.25-999 ?-999 ?-999 ? CO CO D 601 mASP~D 70 -76.11 -0.20 37.81 -75.86 0.72 37.50 -77.75 -1.12 39.38 -77.92 -2.24 39.87 -76.34 -0.54 39.22 -76.19 0.73 40.09 2 0 11.86-999 ?-999 ?-999 ? CO CO D 601 mGLU~D 71 -78.75 -0.35 38.99 -78.47 0.54 38.62 -80.35 -2.17 38.45 -81.03 -3.02 39.02 -80.14 -0.78 39.08 -81.05 0.23 38.38 2 0 8.46-999 ?-999 ?-999 ? CO CO D 601 mVAL~D 72 -79.76 -2.38 37.28 -79.25 -1.60 36.92 -79.28 -4.74 37.49 -79.80 -5.85 37.57 -79.89 -3.66 36.59 -79.19 -3.64 35.20 3 0 10.91-999 ?-999 ?-999 ? CO CO D 601 mALA~D 73 -78.19 -4.41 38.18 -77.85 -3.48 38.02 -78.54 -5.70 40.22 -78.65 -6.86 40.63 -77.57 -5.37 39.09 -76.26 -4.81 39.65 2 0 13.08-999 ?-999 ?-999 ? CO CO D 601 mCSS~D 74 -79.26 -4.70 40.74 -79.09 -3.80 40.35 -81.20 -6.02 41.38 -81.40 -7.03 42.06 -80.24 -4.97 41.81 -81.08 -3.73 42.14 2 0 10.80-999 ?-999 ?-999 ? CO CO D 601 mMETD 75 -81.82 -5.75 40.24 -81.54 -4.89 39.82 -82.32 -8.02 39.47 -82.95 -8.99 39.88 -82.83 -6.61 39.67 -83.30 -6.06 38.34 2 0 10.66-999 ?-999 ?-999 ? CO CO D 601 mALA~D 76 -81.16 -8.11 38.81 -80.77 -7.23 38.55 -80.32 -10.17 39.80 -80.55 -11.38 39.83 -80.54 -9.38 38.52 -79.22 -9.14 37.83 2 0 14.30-999 ?-999 ?-999 ? CO CO D 601 mASN~D 77 -79.88 -9.48 40.85 -79.75 -8.51 40.67 -80.90 -10.64 42.82 -80.85 -11.65 43.50 -79.63 -10.11 42.14 -78.92 -9.14 43.09 2 0 15.29-999 ?-999 ?-999 ? CO CO D 601 mTHR~D 78 -82.03 -9.95 42.64 -81.94 -9.13 42.08 -83.93 -11.53 42.47 -84.20 -11.40 41.28 -83.27 -10.40 43.26 -84.28 -9.24 43.41 2 0 14.17-999 ?-999 ?-999 ? CO CO D 601 mPRO.D 79 -84.22 -12.66 43.15 -83.98 -12.66 44.12 -86.07 -13.46 41.66 -86.94 -12.71 42.09 -84.85 -13.81 42.49 -85.18 -14.75 43.65 3 0 15.87-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 80 -86.10 -14.03 40.47 -85.32 -14.63 40.26 -86.94 -12.63 38.63 -87.71 -12.39 37.71 -87.20 -13.80 39.56-999.99-999.99-999.99 1 0 16.70-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 81 -85.85 -11.91 38.86 -85.28 -12.20 39.63 -86.68 -9.76 37.96 -87.54 -9.71 38.85 -85.55 -10.78 38.01-999.99-999.99-999.99 1 0 14.05-999 ?-999 ?-999 ? CO CO D 601 mGLY^D 82 -86.68 -8.95 36.91 -85.94 -9.10 36.25 -87.48 -7.09 35.50 -86.53 -7.28 34.74 -87.70 -7.93 36.75-999.99-999.99-999.99 1 0 11.50-999 ?-999 ?-999 ? CO CO D 601 mALA^D 83 -88.38 -6.13 35.30 -89.09 -6.07 36.00 -88.23 -3.82 34.56 -88.87 -3.40 35.52 -88.31 -5.27 34.14 -89.54 -5.50 33.27 2 0 10.49-999 ?-999 ?-999 ? CO CO D 601 mLEU^D 84 -87.44 -3.04 33.83 -86.97 -3.52 33.08 -87.78 -0.81 32.93 -87.55 -1.18 31.79 -87.29 -1.62 34.11 -85.82 -1.27 34.32 3 0 8.00-999 ?-999 ?-999 ? CO CO D 601 mILE^D 85 -88.47 0.30 33.20 -88.64 0.47 34.17 -88.11 2.46 32.28 -88.42 3.30 33.13 -88.91 1.17 32.12 -90.42 1.48 32.18 3 0 8.87-999 ?-999 ?-999 ? CO CO D 601 mVAL^D 86 -87.07 2.61 31.48 -86.90 1.85 30.84 -86.93 4.90 30.76 -87.25 4.71 29.59 -86.24 3.80 31.56 -84.83 3.53 30.98 3 0 9.32-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 87 -87.18 6.04 31.40 -86.90 6.07 32.35 -89.08 7.64 31.43 -89.80 8.52 30.94 -87.83 7.15 30.71-999.99-999.99-999.99 1 0 10.90-999 ?-999 ?-999 ? CO CO D 601 mILE.D 88 -89.33 7.06 32.60 -88.65 6.37 32.86 -90.05 7.73 34.85 -89.25 7.03 35.45 -90.49 7.39 33.43 -91.48 6.21 33.49 3 0 9.06-999 ?-999 ?-999 ? CO CO D 601 mGLU.D 89 -90.60 8.83 35.37 -91.24 9.29 34.76 -90.65 8.28 37.77 -91.54 7.45 37.58 -90.27 9.29 36.71 -90.97 10.61 36.98 2 0 8.04-999 ?-999 ?-999 ? CO CO D 601 mASP.D 90 -89.98 8.36 38.91 -89.30 9.10 38.94 -91.37 7.86 40.91 -91.47 9.02 41.31 -90.22 7.44 39.99 -88.95 7.25 40.81 2 0 -5.33-999 ?-999 ?-999 ? CO CO D 601s mLYS.D 91 -92.23 6.89 41.23 -92.01 6.00 40.82 -94.53 7.83 41.42 -95.69 7.43 41.57 -93.38 7.09 42.10 -92.94 7.82 43.38 2 0 7.29-999 ?-999 ?-999 ? CO CO D 601 mTHR.D 92 -94.22 8.90 40.69 -93.24 9.10 40.67 -95.67 8.93 38.72 -96.86 8.77 38.46 -95.22 9.68 39.98 -94.66 11.06 39.55 2 0 10.26-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 93 -94.69 8.46 37.95 -93.76 8.66 38.27 -95.16 8.60 35.54 -95.72 8.16 34.53 -94.99 7.71 36.75-999.99-999.99-999.99 1 0 9.69-999 ?-999 ?-999 ? CO CO D 601 mARG.D 94 -94.69 9.84 35.63 -94.27 10.07 36.50 -93.77 10.47 33.43 -92.61 10.20 33.73 -94.81 10.75 34.50 -94.73 12.21 34.96 2 0 12.37-999 ?-999 ?-999 ? CO CO D 601 mILE.D 95 -94.20 10.52 32.18 -95.17 10.77 32.09 -92.25 11.31 30.87 -92.55 12.49 30.66 -93.32 10.25 31.06 -94.11 10.14 29.75 3 0 13.45-999 ?-999 ?-999 ? CO CO D 601 mILE.D 96 -90.98 10.90 30.93 -90.87 9.92 31.13 -89.21 11.52 29.37 -88.90 12.43 28.62 -89.87 11.81 30.72 -88.81 11.70 31.84 3 0 13.62-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 97 -89.02 10.24 29.04 -89.32 9.57 29.73 -86.93 9.65 27.82 -86.25 10.07 28.76 -88.42 9.90 27.76-999.99-999.99-999.99 1 0 14.78-999 ?-999 ?-999 ? CO CO D 601 mTHR.D 98 -86.41 8.97 26.80 -87.07 8.71 26.10 -84.55 8.39 25.30 -85.17 7.60 24.59 -84.98 8.65 26.72 -84.64 7.40 27.49 2 0 15.39-999 ?-999 ?-999 ? CO CO D 601 mGLU.D 99 -83.46 9.03 24.89 -83.04 9.63 25.57 -81.73 7.95 23.53 -81.06 7.82 22.50 -82.96 8.85 23.54 -82.64 10.21 22.92 2 0 18.79-999 ?-999 ?-999 ? CO CO D 601 mLEU.D 100 -81.45 7.32 24.66 -82.08 7.50 25.41 -80.32 5.37 23.66 -81.37 4.84 23.30 -80.31 6.42 24.76 -80.30 5.72 26.12 3 0 17.91-999 ?-999 ?-999 ? CO CO D 601 mASP~D 101 -79.14 5.07 23.13 -78.37 5.58 23.53 -78.97 2.67 22.62 -78.12 2.33 23.45 -78.99 4.09 22.06 -77.69 4.36 21.29 2 0 20.59-999 ?-999 ?-999 ? CO CO D 601 mILE~D 102 -79.90 1.84 22.16 -80.51 2.24 21.49 -78.65 -0.27 22.64 -78.14 -0.65 23.70 -79.99 0.46 22.63 -80.95 -0.36 21.75 3 0 19.78-999 ?-999 ?-999 ? CO CO D 601 mASP~D 103 -78.07 -0.47 21.46 -78.58 -0.09 20.69 -75.71 -0.60 22.24 -74.92 -1.35 22.81 -76.81 -1.17 21.35 -76.36 -1.19 19.88 2 0 22.55-999 ?-999 ?-999 ? CO CO D 601 mTRP~D 104 -75.66 0.73 22.36 -76.37 1.21 21.85 -74.85 1.09 24.68 -73.91 0.67 25.37 -74.65 1.39 23.19 -74.72 2.90 23.00 3 0 21.85-999 ?-999 ?-999 ? CO CO D 601 mLEU~D 105 -76.06 1.34 25.15 -76.70 1.70 24.47 -76.14 -0.38 26.86 -75.43 -0.67 27.81 -76.41 1.09 26.54 -77.89 1.44 26.76 3 0 18.16-999 ?-999 ?-999 ? CO CO D 601 mARG~D 106 -76.68 -1.30 26.07 -77.24 -0.95 25.32 -74.95 -2.98 26.51 -74.54 -3.56 27.52 -76.44 -2.70 26.32 -76.99 -3.55 25.17 2 0 19.06-999 ?-999 ?-999 ? CO CO D 601 mGLN~D 107 -74.13 -2.55 25.55 -74.58 -2.10 24.79 -72.18 -2.12 26.95 -71.52 -2.78 27.75 -72.69 -2.75 25.66 -71.96 -2.11 24.47 2 0 21.93-999 ?-999 ?-999 ? CO CO D 601 mGLY~D 108 -72.48 -0.84 27.13 -73.01 -0.42 26.39 -72.39 -0.89 29.60 -71.49 -1.14 30.41 -72.07 -0.13 28.33-999.99-999.99-999.99 1 0 20.10-999 ?-999 ?-999 ? CO CO D 601 mILE~D 109 -73.65 -1.26 29.80 -74.28 -1.00 29.07 -73.21 -3.28 31.05 -72.52 -3.54 32.02 -74.02 -2.01 30.99 -75.53 -2.36 31.02 3 0 17.40-999 ?-999 ?-999 ? CO CO D 601 mPHE~D 110 -73.29 -4.08 29.99 -73.88 -3.76 29.26 -71.08 -5.16 30.39 -70.56 -6.00 31.12 -72.53 -5.32 29.95 -72.53 -5.90 28.54 3 0 20.26-999 ?-999 ?-999 ? CO CO D 601 mTHR~D 111 -70.42 -4.09 29.93 -70.97 -3.49 29.36 -68.77 -3.58 31.73 -67.72 -3.90 32.26 -69.01 -3.86 30.26 -68.42 -2.66 29.50 2 0 22.37-999 ?-999 ?-999 ? CO CO D 601 mARG~D 112 -69.74 -2.96 32.38 -70.57 -2.75 31.86 -70.24 -3.51 34.79 -70.02 -3.37 35.98 -69.53 -2.63 33.78 -69.91 -1.17 34.04 2 0 20.12-999 ?-999 ?-999 ? CO CO D 601 mILE~D 113 -71.06 -4.43 34.33 -71.13 -4.50 33.33 -71.69 -6.74 34.89 -72.09 -7.63 35.66 -71.79 -5.25 35.27 -73.27 -4.75 35.31 3 0 18.59-999 ?-999 ?-999 ? CO CO D 601 mASP~D 114 -71.11 -6.99 33.72 -70.81 -6.17 33.25 -72.22 -9.01 32.75 -72.30 -10.23 32.68 -70.92 -8.33 33.17 -70.15 -9.23 34.15 2 0 17.34-999 ?-999 ?-999 ? CL CL D 584 mVAL.D 115 -73.25 -8.21 32.46 -73.05 -7.23 32.56 -75.24 -7.80 31.04 -75.29 -6.58 31.24 -74.54 -8.74 32.03 -75.47 -9.02 33.26 3 0 17.44-999 ?-999 ?-999 ? CL CL D 584 mALA.D 116 -75.78 -8.35 29.95 -75.66 -9.35 29.89 -77.95 -7.90 28.88 -78.34 -8.84 28.18 -76.47 -7.54 28.95 -75.81 -7.70 27.58 2 0 19.26-999 ?-999 ?-999 ? CO CO D 601 mPRO.D 117 -78.79 -7.16 29.62 -78.33 -6.44 30.14 -80.91 -7.01 28.35 -80.51 -6.06 27.68 -80.23 -7.38 29.66 -80.67 -6.46 30.80 3 0 16.78-999 ?-999 ?-999 ? CO CO D 601 mASP^D 118 -81.95 -7.75 27.98 -82.18 -8.50 28.61 -83.39 -6.14 26.93 -84.24 -6.01 27.81 -82.67 -7.46 26.76 -83.69 -8.57 26.46 2 0 18.06-999 ?-999 ?-999 ? CO CO D 601 mVAL^D 119 -83.02 -5.16 26.12 -82.30 -5.40 25.47 -84.37 -3.50 24.87 -83.76 -3.46 23.80 -83.64 -3.83 26.18 -82.58 -2.74 26.52 3 0 16.49-999 ?-999 ?-999 ? CO CO D 601 mVAL^D 120 -85.68 -3.28 24.96 -86.04 -3.33 25.89 -87.08 -1.57 23.85 -87.36 -1.05 24.94 -86.50 -2.98 23.79 -87.67 -3.98 23.66 3 0 17.95-999 ?-999 ?-999 ? CO CO D 601 mALA^D 121 -87.27 -0.94 22.70 -87.00 -1.46 21.89 -89.34 0.36 22.58 -89.92 -0.52 21.95 -87.82 0.40 22.67 -87.24 1.18 21.51 2 0 18.22-999 ?-999 ?-999 ? CO CO D 601 mLYS^D 122 -89.98 1.32 23.24 -89.38 1.95 23.73 -91.75 2.93 23.16 -90.88 3.77 23.41 -91.43 1.44 23.24 -92.04 0.87 24.52 2 0 17.96-999 ?-999 ?-999 ? CO CO D 601 mARG^D 123 -92.98 3.25 22.79 -93.58 2.48 22.59 -94.76 4.85 23.31 -95.72 4.19 22.91 -93.39 4.64 22.71 -93.35 5.11 21.26 2 0 19.01-999 ?-999 ?-999 ? CO CO D 601 mVAL.D 124 -94.84 5.76 24.28 -93.98 6.20 24.51 -96.86 7.23 24.31 -97.34 7.13 23.18 -96.11 6.06 24.94 -95.92 6.37 26.42 3 0 18.22-999 ?-999 ?-999 ? CO CO D 601 mLEU.D 125 -96.97 8.33 25.04 -96.56 8.30 25.95 -96.77 10.15 23.47 -96.63 11.37 23.45 -97.68 9.48 24.49 -98.06 10.48 25.59 3 0 20.22-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 126 -96.16 9.33 22.63 -96.36 8.35 22.76 -93.86 9.94 22.14 -92.96 10.33 21.40 -95.27 9.83 21.61-999.99-999.99-999.99 1 0 21.74-999 ?-999 ?-999 ? CO CO D 601 mGLN.D 127 -93.67 9.60 23.41 -94.50 9.32 23.88 -91.61 8.33 23.94 -92.24 7.26 23.91 -92.35 9.66 24.04 -92.50 10.05 25.50 2 0 18.64-999 ?-999 ?-999 ? CO CO D 601 mARG^D 128 -90.28 8.38 23.91 -89.89 9.30 23.95 -89.03 6.64 25.18 -88.57 7.39 26.04 -89.48 7.15 23.82 -88.26 7.36 22.92 2 0 17.55-999 ?-999 ?-999 ? CO CO D 601 mVAL^D 129 -89.19 5.34 25.38 -89.60 4.84 24.61 -88.14 3.36 26.36 -88.46 2.66 25.40 -88.79 4.71 26.63 -90.00 4.51 27.57 3 0 14.27-999 ?-999 ?-999 ? CO CO D 601 mLEU^D 130 -87.20 2.99 27.22 -87.01 3.65 27.95 -87.07 0.75 28.09 -87.17 1.07 29.28 -86.52 1.72 27.08 -85.03 1.90 27.28 3 0 13.74-999 ?-999 ?-999 ? CO CO D 601 mALA^D 131 -87.46 -0.42 27.62 -87.38 -0.54 26.63 -86.86 -2.44 28.66 -86.64 -3.25 27.76 -87.98 -1.44 28.52 -89.20 -2.11 27.92 2 0 12.95-999 ?-999 ?-999 ? CO CO D 601 mILE^D 132 -86.14 -2.39 29.77 -86.40 -1.67 30.42 -85.55 -4.54 30.77 -86.11 -4.40 31.85 -85.05 -3.33 29.99 -83.90 -2.67 30.75 3 0 12.66-999 ?-999 ?-999 ? CO CO D 601 mTYR^D 133 -85.38 -5.73 30.21 -84.93 -5.70 29.31 -84.58 -7.69 31.39 -83.69 -8.05 30.62 -85.81 -6.96 30.86 -86.54 -7.87 29.86 3 0 14.04-999 ?-999 ?-999 ? CO CO D 601 mVAL^D 134 -84.52 -7.92 32.70 -85.30 -7.58 33.23 -83.75 -9.91 33.98 -84.68 -9.97 34.78 -83.38 -8.61 33.28 -82.59 -7.69 34.25 3 0 14.31-999 ?-999 ?-999 ? CO CO D 601 mALA.D 135 -83.00 -10.96 33.65 -82.28 -10.76 32.99 -82.40 -12.47 35.50 -81.29 -11.95 35.62 -83.20 -12.29 34.22 -82.79 -13.34 33.22 2 0 16.73-999 ?-999 ?-999 ? CL CL D 584 mALA.D 136 -82.98 -13.19 36.46 -83.90 -13.52 36.22 -80.99 -14.11 37.41 -80.93 -15.03 36.60 -82.32 -13.45 37.73 -83.18 -14.38 38.57 2 0 14.38-999 ?-999 ?-999 ? CL CL D 584 mALA.D 137 -79.91 -13.64 38.04 -80.11 -12.90 38.69 -78.32 -15.50 38.49 -78.94 -15.80 39.51 -78.57 -14.17 37.81 -77.53 -13.16 38.26 2 0 11.63-999 ?-999 ?-999 ? CL CL D 584 mALA.D 138 -77.42 -16.29 37.94 -76.99 -15.92 37.11 -76.16 -17.42 39.70 -75.90 -18.36 40.45 -77.10 -17.60 38.51 -76.44 -18.49 37.47 2 0 7.87-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 139 -75.65 -16.20 39.85 -75.94 -15.53 39.17 -74.76 -14.42 41.17 -74.99 -13.65 40.25 -74.74 -15.90 40.94 -73.33 -16.33 40.58 2 0 8.36-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 140 -74.48 -14.00 42.40 -74.28 -14.71 43.07 -73.71 -11.70 41.73 -72.59 -12.04 41.35 -74.49 -12.57 42.71 -73.96 -12.52 44.14 3 0 11.83-999 ?-999 ?-999 ? CL CL D 584 mILE.D 141 -74.35 -10.61 41.32 -75.26 -10.51 41.72 -73.43 -8.38 41.19 -74.33 -7.68 41.65 -73.78 -9.64 40.39 -74.81 -9.21 39.30 3 0 14.42-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 142 -72.14 -8.10 41.36 -71.50 -8.76 40.95 -71.81 -5.72 41.15 -71.32 -5.80 40.02 -71.73 -6.91 42.10 -70.29 -7.06 42.63 2 0 17.26-999 ?-999 ?-999 ? CL CL D 584 mASP.D 143 -72.44 -4.62 41.58 -72.80 -4.69 42.51 -71.26 -2.65 40.55 -70.19 -3.13 40.89 -72.57 -3.43 40.73 -73.66 -2.50 41.29 2 0 16.29-999 ?-999 ?-999 ? CO CO D 601 mTHR.D 144 -71.36 -1.44 40.01 -72.29 -1.15 39.79 -69.39 -0.21 40.99 -68.19 0.07 40.90 -70.18 -0.62 39.75 -70.55 0.67 39.06 2 0 17.79-999 ?-999 ?-999 ? CO CO D 601 mSER.D 145 -70.07 -0.16 42.13 -71.03 -0.42 42.05 -68.96 -0.98 44.16 -68.60 -0.86 45.32 -69.43 0.23 43.38 -70.40 1.06 44.22 2 0 18.55-999 ?-999 ?-999 ? CO CO D 601 mASP.D 146 -68.98 -2.14 43.51 -69.33 -2.08 42.58 -69.42 -3.85 45.26 -68.97 -4.53 46.18 -68.52 -3.38 44.13 -67.11 -3.19 44.68 2 0 20.36-999 ?-999 ?-999 ? CO CO D 601 mARG.D 147 -70.70 -3.49 45.18 -70.95 -2.96 44.37 -72.69 -4.83 45.73 -73.10 -4.78 44.58 -71.63 -3.88 46.24 -72.26 -2.64 46.85 2 0 18.19-999 ?-999 ?-999 ? CO CO D 601 mLEU.D 148 -73.15 -5.69 46.63 -72.75 -5.59 47.54 -75.52 -6.41 46.94 -75.72 -6.68 48.12 -74.15 -6.68 46.30 -73.62 -8.04 46.73 3 0 17.40-999 ?-999 ?-999 ? CO CO D 601 mARG.D 149 -76.47 -5.88 46.16 -76.19 -5.72 45.21 -78.93 -6.03 45.74 -78.73 -6.16 44.54 -77.80 -5.58 46.67 -77.92 -4.08 46.93 2 0 14.23-999 ?-999 ?-999 ? CO CO D 601 mTRP.D 150 -80.11 -6.26 46.31 -80.15 -6.11 47.29 -82.51 -5.86 45.72 -82.59 -5.10 46.68 -81.25 -6.69 45.50 -81.56 -8.16 45.78 3 0 12.42-999 ?-999 ?-999 ? CO CO D 601 mARG.D 151 -83.50 -6.02 44.85 -83.32 -6.69 44.13 -85.64 -5.66 46.14 -85.83 -6.84 46.43 -84.76 -5.26 44.96 -85.59 -5.38 43.67 2 0 9.59-999 ?-999 ?-999 ? CO CO D 601 mVAL.D 152 -86.18 -4.65 46.82 -85.91 -3.74 46.52 -88.40 -4.18 47.61 -89.25 -4.69 46.88 -87.10 -4.91 47.92 -86.57 -4.43 49.27 3 0 10.60-999 ?-999 ?-999 ? CO CO D 601 mGLY.D 153 -88.59 -2.99 48.15 -87.86 -2.62 48.72 -89.75 -1.84 46.41 -89.90 -2.61 45.46 -89.83 -2.31 47.84-999.99-999.99-999.99 1 0 9.07-999 ?-999 ?-999 ? CO CO D 601 mASP.D 154 -89.52 -0.55 46.29 -89.45 -0.06 47.16 -87.89 0.41 44.97 -87.29 0.54 43.91 -89.36 0.10 45.01 -90.14 1.40 44.96 2 0 -5.39-999 ?-999 ?-999 ? CO CO D 601s mSER.D 155 -87.32 0.51 46.17 -87.96 0.39 46.93 -85.25 -0.54 46.61 -85.92 -1.49 47.02 -85.91 0.79 46.33 -85.70 1.71 47.52 2 0 6.20-999 ?-999 ?-999 ? CO CO D 601 mCSS.D 156 -83.94 -0.62 46.41 -83.49 0.22 46.08 -82.08 -1.77 47.63 -81.10 -1.08 47.38 -83.25 -1.87 46.67 -82.85 -2.54 45.34 2 0 8.74-999 ?-999 ?-999 ? CO CO D 601 mARG.D 157 -82.21 -2.50 48.74 -83.07 -3.02 48.76 -80.19 -3.67 49.67 -80.39 -4.64 48.94 -81.24 -2.56 49.82 -81.98 -2.74 51.16 2 0 12.35-999 ?-999 ?-999 ? CO CO D 601 mPRO.D 158 -79.05 -3.55 50.38 -79.02 -2.73 50.95 -78.28 -5.89 50.94 -79.24 -6.03 51.69 -77.96 -4.53 50.34 -76.86 -3.83 51.11 3 0 15.49-999 ?-999 ?-999 ? CO CO D 601 mVAL.D 159 -77.46 -6.89 50.60 -76.74 -6.61 49.96 -76.26 -8.98 51.20 -75.40 -8.81 50.34 -77.59 -8.26 51.13 -78.51 -9.17 50.28 3 0 18.22-999 ?-999 ?-999 ? CO CO D 601 mASP~D 160 -76.11 -9.81 52.24 -76.88 -9.83 52.87 -74.98 -11.86 51.55 -76.06 -12.39 51.30 -74.89 -10.60 52.41 -74.68 -11.01 53.88 2 0 18.22-999 ?-999 ?-999 ? CL CL D 584 mARG~D 161 -73.82 -12.32 51.10 -73.03 -11.79 51.40 -74.37 -14.74 50.88 -74.91 -15.60 50.17 -73.71 -13.50 50.24 -72.23 -13.75 49.92 2 0 14.54-999 ?-999 ?-999 ? CL CL D 584 mALA~D 162 -74.35 -14.82 52.21 -73.91 -14.05 52.66 -76.43 -16.01 52.74 -77.00 -17.09 52.52 -74.93 -15.96 52.92 -74.60 -15.87 54.40 2 0 15.16-999 ?-999 ?-999 ? CL CL D 584 mGLU~D 163 -77.08 -14.86 52.85 -76.51 -14.06 53.03 -78.91 -14.89 51.21 -79.87 -15.57 50.85 -78.52 -14.82 52.69 -79.11 -13.57 53.34 2 0 16.45-999 ?-999 ?-999 ? CL CL D 584 mTRP~D 164 -78.17 -14.19 50.36 -77.41 -13.68 50.77 -78.54 -15.63 48.41 -79.47 -16.00 47.69 -78.48 -14.19 48.93 -77.43 -13.42 48.12 3 0 14.25-999 ?-999 ?-999 ? CL CL D 584 mTRP~D 165 -77.55 -16.44 48.78 -76.86 -16.03 49.38 -78.63 -18.70 48.85 -79.22 -19.44 48.08 -77.51 -17.82 48.33 -76.16 -18.45 48.62 3 0 11.18-999 ?-999 ?-999 ? CL CL D 584 mGLU~D 166 -78.92 -18.64 50.15 -78.37 -18.00 50.69 -81.30 -19.20 49.96 -82.14 -20.09 49.84 -79.99 -19.48 50.68 -80.17 -19.25 52.18 2 0 13.40-999 ?-999 ?-999 ? CL CL D 584 mTYR~D 167 -81.46 -17.98 49.46 -80.70 -17.35 49.63 -82.59 -18.07 47.30 -83.61 -18.35 46.68 -82.66 -17.61 48.74 -82.90 -16.09 48.81 3 0 14.43-999 ?-999 ?-999 ? CL CL D 584 mGLN~D 168 -81.39 -18.16 46.76 -80.62 -17.90 47.35 -81.46 -20.15 45.36 -82.03 -20.68 44.42 -81.25 -18.63 45.39 -79.87 -18.25 44.84 2 0 11.18-999 ?-999 ?-999 ? CL CL D 584 mARG~D 169 -81.03 -20.84 46.40 -80.59 -20.30 47.12 -82.66 -22.67 46.59 -83.04 -23.83 46.36 -81.19 -22.29 46.46 -80.43 -22.86 47.66 2 0 10.49-999 ?-999 ?-999 ? CL CL D 584 mALA~D 170 -83.48 -21.70 46.96 -83.06 -20.80 47.07 -85.81 -21.59 46.02 -86.74 -22.33 45.71 -84.89 -21.97 47.16 -85.36 -21.28 48.43 2 0 13.98-999 ?-999 ?-999 ? CL CL D 584 mGLN~D 171 -85.56 -20.45 45.38 -84.76 -19.94 45.69 -85.80 -19.64 43.01 -86.36 -18.84 42.26 -86.45 -20.06 44.31 -87.39 -18.97 44.82 2 0 14.67-999 ?-999 ?-999 ? CL CL D 584 mSER~D 172 -84.63 -20.20 42.73 -84.29 -20.84 43.43 -83.49 -21.19 40.79 -83.75 -22.29 41.28 -83.91 -19.90 41.50 -82.68 -19.03 41.78 2 0 11.81-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 173 -82.85 -21.03 39.63 -82.72 -20.09 39.34 -81.48 -23.08 39.69 -81.00 -22.68 40.75 -82.39 -22.19 38.87-999.99-999.99-999.99 1 0 9.75-999 ?-999 ?-999 ? CL CL D 584 mPHE.D 174 -81.22 -24.28 39.20 -81.66 -24.50 38.33 -78.89 -24.94 39.67 -78.47 -24.82 38.51 -80.36 -25.19 39.94 -80.70 -26.63 39.59 3 0 7.54-999 ?-999 ?-999 ? CL CL D 584 mASP.D 175 -78.11 -24.83 40.74 -78.61 -24.90 41.60 -76.04 -25.83 41.35 -75.96 -25.87 42.57 -76.66 -24.64 40.65 -76.20 -23.36 41.35 2 0 -3.81-999 ?-999 ?-999 ? CL CL D 584s mPRO.D 176 -75.58 -26.81 40.57 -75.68 -26.65 39.59 -73.93 -27.80 42.23 -73.73 -28.66 43.09 -74.97 -28.02 41.13 -74.40 -28.72 39.90 3 0 4.57-999 ?-999 ?-999 ? CL CL D 584 mMETD 177 -73.30 -26.63 42.21 -73.60 -26.01 41.49 -72.77 -25.61 44.45 -72.03 -25.48 45.43 -72.25 -26.29 43.17 -71.22 -25.40 42.48 2 0 -3.74-999 ?-999 ?-999 ? CL CL D 584s mALA.D 178 -74.03 -25.18 44.43 -74.50 -25.35 43.57 -75.39 -25.53 46.43 -75.70 -25.27 47.60 -74.64 -24.52 45.58 -75.59 -23.43 45.11 2 0 5.61-999 ?-999 ?-999 ? CL CL D 584 mGLN.D 179 -75.69 -26.69 45.85 -75.38 -26.75 44.90 -75.76 -28.04 47.90 -74.55 -27.90 48.06 -76.40 -27.76 46.54 -76.36 -29.01 45.67 2 0 8.09-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 180 -76.57 -28.43 48.88 -77.53 -28.52 48.61 -75.41 -30.08 50.33 -75.96 -31.08 49.86 -76.06 -28.71 50.22 -77.18 -28.61 51.29 3 0 11.45-999 ?-999 ?-999 ? CL CL D 584 mTHR^D 181 -74.25 -30.14 50.96 -73.90 -29.27 51.30 -73.70 -31.86 52.56 -74.39 -31.22 53.35 -73.55 -31.41 51.12 -72.07 -31.28 50.81 2 0 13.14-999 ?-999 ?-999 ? CL CL D 584 mTHR^D 182 -73.03 -32.95 52.90 -72.51 -33.38 52.17 -71.87 -33.05 55.04 -71.61 -33.55 56.13 -73.10 -33.46 54.26 -73.24 -34.98 54.28 2 0 16.88-999 ?-999 ?-999 ? CL CL D 584 mALA^D 183 -71.10 -32.12 54.48 -71.42 -31.78 53.60 -70.22 -30.51 56.12 -71.06 -29.67 55.81 -69.89 -31.66 55.16 -68.85 -31.23 54.14 2 0 17.01-999 ?-999 ?-999 ? CL CL D 584 mTHR^D 184 -69.56 -30.49 57.28 -68.91 -31.25 57.39 -68.54 -28.64 58.54 -67.50 -28.84 57.92 -69.79 -29.45 58.27 -70.23 -30.01 59.62 2 0 19.07-999 ?-999 ?-999 ? CL CL D 584 mLEU.D 185 -68.65 -27.74 59.51 -69.55 -27.70 59.94 -66.29 -27.67 60.29 -65.17 -27.21 60.06 -67.54 -26.88 59.88 -67.96 -25.96 61.02 3 0 20.55-999 ?-999 ?-999 ? CL CL D 584 mGLY~D 186 -66.49 -28.83 60.90 -67.44 -29.09 61.04 -64.55 -30.24 60.18 -63.33 -30.42 60.27 -65.35 -29.65 61.33-999.99-999.99-999.99 1 0 23.08-999 ?-999 ?-999 ? CL CL D 584 mASP~D 187 -65.23 -30.53 59.08 -66.21 -30.33 59.14 -63.67 -30.08 57.22 -62.83 -30.46 56.43 -64.59 -31.09 57.92 -65.65 -31.63 56.94 2 0 20.76-999 ?-999 ?-999 ? CL CL D 584 mALA~D 188 -63.85 -28.79 57.51 -64.58 -28.60 58.16 -61.56 -27.88 57.42 -61.34 -27.96 58.63 -63.00 -27.77 56.89 -63.55 -26.38 57.18 2 0 19.73-999 ?-999 ?-999 ? CL CL D 584 mARG~D 189 -60.59 -27.87 56.51 -60.89 -27.78 55.56 -58.64 -26.66 57.43 -58.67 -25.66 56.72 -59.19 -27.99 56.93 -58.33 -28.49 55.78 2 0 21.95-999 ?-999 ?-999 ? CL CL D 584 mPRO~D 190 -58.10 -26.66 58.66 -58.12 -27.54 59.12 -56.45 -24.80 58.40 -56.22 -23.59 58.49 -57.53 -25.45 59.26 -56.98 -25.97 60.59 3 0 24.50-999 ?-999 ?-999 ? CL CL D 584 mALA~D 191 -55.78 -25.60 57.58 -56.06 -26.56 57.61 -55.41 -24.33 55.54 -54.94 -23.28 55.11 -54.73 -25.07 56.70 -53.87 -26.22 56.16 2 0 24.54-999 ?-999 ?-999 ? CL CL D 584 mALA~D 192 -56.51 -24.90 55.06 -56.76 -25.76 55.51 -57.76 -22.92 54.42 -57.63 -21.93 53.68 -57.27 -24.31 53.98 -58.45 -25.20 53.63 2 0 20.81-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 193 -58.32 -22.84 55.63 -58.37 -23.72 56.11 -57.65 -20.62 56.36 -57.74 -19.42 56.06 -58.81 -21.58 56.17 -59.49 -21.82 57.52 3 0 21.41-999 ?-999 ?-999 ? CL CL D 584 mALA~D 194 -56.54 -21.14 56.85 -56.59 -22.12 57.07 -54.97 -19.63 55.75 -54.46 -18.51 55.78 -55.36 -20.32 57.06 -54.22 -21.18 57.58 2 0 23.30-999 ?-999 ?-999 ? CO CO C 601 mLEU~D 195 -55.19 -20.29 54.62 -55.61 -21.19 54.74 -55.82 -18.62 52.95 -55.42 -17.56 52.45 -54.84 -19.71 53.32 -54.84 -20.77 52.22 3 0 22.72-999 ?-999 ?-999 ? CL CL D 584 mALA~D 196 -57.10 -18.89 53.18 -57.29 -19.79 53.57 -57.82 -16.64 53.67 -57.96 -15.53 53.16 -58.13 -17.90 52.88 -59.49 -18.43 53.26 2 0 20.39-999 ?-999 ?-999 ? CL CL D 584 mARG~D 197 -57.37 -16.81 54.92 -57.29 -17.76 55.21 -55.80 -14.89 55.31 -55.68 -13.69 55.59 -57.03 -15.67 55.76 -56.81 -16.10 57.20 2 0 20.54-999 ?-999 ?-999 ? CO CO C 601 mLYS~D 198 -54.86 -15.54 54.63 -55.02 -16.51 54.45 -53.96 -14.05 52.91 -53.51 -12.92 52.73 -53.68 -14.80 54.20 -52.47 -15.71 54.01 2 0 22.85-999 ?-999 ?-999 ? CO CO C 601 mTRP~D 199 -54.72 -14.66 52.01 -55.04 -15.58 52.26 -56.03 -12.88 50.94 -56.26 -12.10 50.02 -55.03 -14.00 50.75 -55.57 -15.00 49.74 3 0 23.03-999 ?-999 ?-999 ? CL CL D 584 mASP~D 200 -56.64 -12.80 52.11 -56.38 -13.50 52.77 -57.54 -11.40 53.86 -58.09 -12.11 54.69 -57.60 -11.73 52.38 -59.01 -12.16 52.01 2 0 21.23-999 ?-999 ?-999 ? CO CO C 601 mPRO~D 201 -56.89 -10.29 54.21 -56.50 -9.78 53.44 -58.10 -9.46 56.20 -58.20 -9.26 57.41 -56.77 -9.86 55.60 -55.81 -8.69 55.50 3 0 18.31-999 ?-999 ?-999 ? CO CO C 601 mALA~D 202 -59.13 -9.33 55.37 -58.92 -9.52 54.41 -61.02 -10.01 56.79 -61.65 -9.69 57.80 -60.44 -8.94 55.87 -61.40 -8.68 54.70 2 0 16.27-999 ?-999 ?-999 ? CO CO C 601 mPHE~D 203 -60.80 -11.28 56.45 -60.26 -11.41 55.62 -60.56 -12.56 58.57 -60.95 -13.35 59.42 -61.32 -12.37 57.26 -61.29 -13.67 56.47 3 0 16.10-999 ?-999 ?-999 ? CO CO C 601 mALA~D 204 -59.49 -11.80 58.75 -59.29 -11.17 58.00 -59.43 -11.54 61.25 -58.97 -11.85 62.34 -58.70 -11.92 59.96 -57.42 -11.10 59.82 2 0 14.79-999 ?-999 ?-999 ? CO CO C 601 mGLU~D 205 -60.57 -10.87 61.14 -60.86 -10.67 60.20 -62.42 -11.44 62.73 -63.04 -11.29 63.80 -61.31 -10.48 62.34 -61.93 -9.09 62.18 2 0 11.13-999 ?-999 ?-999 ? CO CO C 601 mLEU~D 206 -62.71 -12.41 61.88 -62.13 -12.45 61.06 -63.38 -14.79 62.31 -62.33 -15.20 61.84 -63.79 -13.33 62.18 -64.91 -13.15 61.14 3 0 12.35-999 ?-999 ?-999 ? CO CO C 601 mTHR~D 207 -64.22 -15.56 62.99 -65.04 -15.09 63.32 -64.06 -17.81 61.97 -64.63 -17.39 60.96 -63.95 -16.96 63.23 -64.92 -17.55 64.26 2 0 14.58-999 ?-999 ?-999 ? CO CO C 601 mASP~D 208 -63.49 -19.01 62.06 -63.05 -19.20 62.94 -65.00 -20.11 60.54 -65.31 -20.18 59.35 -63.54 -19.97 60.96 -63.01 -21.33 61.43 2 0 18.35-999 ?-999 ?-999 ? CO CO C 601 mGLU~D 209 -65.89 -20.12 61.54 -65.49 -20.03 62.45 -67.93 -19.09 60.53 -68.47 -19.27 59.44 -67.33 -20.26 61.30 -68.09 -20.43 62.61 2 0 18.33-999 ?-999 ?-999 ? CO CO C 601 mGLU~D 210 -67.86 -17.89 61.10 -67.41 -17.85 61.99 -67.75 -16.50 59.09 -68.36 -15.96 58.17 -68.44 -16.75 60.42 -68.41 -15.50 61.31 2 0 16.10-999 ?-999 ?-999 ? CO CO C 601 mLEU~D 211 -66.50 -16.93 58.97 -66.12 -17.36 59.80 -66.49 -17.59 56.64 -67.00 -17.03 55.67 -65.77 -16.77 57.72 -64.33 -17.28 57.85 3 0 17.76-999 ?-999 ?-999 ? CO CO C 601 mLEU~D 212 -66.54 -18.91 56.82 -66.10 -19.24 57.65 -68.62 -19.28 55.51 -69.00 -19.19 54.34 -67.20 -19.77 55.84 -67.24 -21.21 56.34 3 0 17.14-999 ?-999 ?-999 ? CL CL D 584 mARG~D 213 -69.39 -18.94 56.54 -68.95 -19.07 57.44 -70.74 -17.11 55.60 -71.59 -16.87 54.74 -70.75 -18.44 56.35 -71.44 -18.26 57.71 2 0 17.18-999 ?-999 ?-999 ? CL CL D 584 mGLY~D 214 -69.77 -16.26 55.92 -69.14 -16.58 56.63 -69.49 -15.06 53.77 -70.11 -14.30 53.03 -69.68 -14.98 55.27-999.99-999.99-999.99 1 0 17.83-999 ?-999 ?-999 ? CL CL D 584 mILE~D 215 -68.65 -15.98 53.31 -68.23 -16.54 54.03 -69.51 -16.85 51.15 -69.48 -17.00 49.93 -68.38 -16.13 51.88 -67.03 -16.89 51.63 3 0 14.77-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 216 -70.52 -17.26 51.91 -70.43 -17.04 52.89 -71.33 -19.43 51.13 -71.77 -20.05 50.16 -71.65 -17.96 51.34-999.99-999.99-999.99 1 0 12.70-999 ?-999 ?-999 ? CL CL D 584 mALA.D 217 -70.55 -20.02 52.02 -70.24 -19.45 52.78 -70.87 -22.28 52.91 -71.22 -23.44 52.67 -70.21 -21.42 51.85 -68.71 -21.59 51.89 2 0 12.19-999 ?-999 ?-999 ? CL CL D 584 mLEU.D 218 -71.04 -21.70 54.09 -70.73 -20.75 54.13 -73.09 -22.07 55.35 -73.49 -20.90 55.46 -71.62 -22.40 55.21 -70.85 -22.04 56.48 3 0 15.10-999 ?-999 ?-999 ? CL CL D 584 mASP.D 219 -73.89 -23.13 55.31 -73.39 -23.98 55.20 -75.82 -22.45 56.72 -75.03 -22.05 57.57 -75.35 -23.07 55.42 -75.92 -24.49 55.36 2 0 15.39-999 ?-999 ?-999 ? CL CL D 584 mALA.D 220 -77.13 -22.35 56.87 -77.68 -22.66 56.09 -77.87 -23.03 59.04 -78.09 -22.87 60.23 -77.68 -21.82 58.11 -78.99 -21.11 57.86 2 0 18.61-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 221 -77.77 -24.24 58.48 -77.61 -24.23 57.49 -76.51 -25.90 59.72 -76.37 -26.70 60.64 -77.90 -25.47 59.26 -78.49 -26.61 58.43 2 0 19.62-999 ?-999 ?-999 ? CL CL C 584 mGLY.D 222 -75.48 -25.36 59.06 -75.74 -24.73 58.33 -73.49 -26.64 58.38 -72.54 -27.36 58.67 -74.11 -25.69 59.40-999.99-999.99-999.99 1 0 19.25-999 ?-999 ?-999 ? CL CL D 584 mPHE^D 223 -74.05 -26.62 57.17 -74.80 -25.97 57.07 -72.91 -26.75 54.92 -73.49 -25.85 54.31 -73.59 -27.48 56.09 -74.78 -28.31 55.58 3 0 16.22-999 ?-999 ?-999 ? CL CL D 584 mLEU^D 224 -71.68 -27.14 54.63 -71.32 -27.86 55.22 -71.61 -26.87 52.21 -72.14 -27.97 52.01 -70.93 -26.55 53.53 -69.51 -27.09 53.48 3 0 13.65-999 ?-999 ?-999 ? CL CL D 584 mSER^D 225 -71.58 -25.91 51.29 -71.13 -25.06 51.59 -71.21 -27.02 49.21 -70.11 -27.32 49.67 -72.16 -26.11 49.97 -72.30 -24.76 49.25 2 0 9.97-999 ?-999 ?-999 ? CL CL D 584 mGLN~D 226 -71.65 -27.46 48.04 -72.57 -27.14 47.80 -69.50 -27.62 47.00 -68.44 -28.22 47.13 -70.83 -28.32 47.21 -71.53 -28.56 45.86 2 0 8.43-999 ?-999 ?-999 ? CL CL D 584 mALA~D 227 -69.57 -26.33 46.68 -70.50 -25.97 46.61 -67.60 -25.43 47.77 -66.39 -25.65 47.80 -68.38 -25.53 46.47 -68.75 -24.14 45.99 2 0 7.84-999 ?-999 ?-999 ? CL CL D 584 mGLY~D 228 -68.30 -25.09 48.84 -69.28 -24.94 48.68 -66.87 -26.20 50.48 -65.74 -26.12 50.95 -67.67 -24.96 50.14-999.99-999.99-999.99 1 0 11.23-999 ?-999 ?-999 ? CL CL D 584 mLYS~D 229 -67.46 -27.36 50.23 -68.38 -27.29 49.85 -65.54 -28.83 49.64 -64.48 -29.19 50.15 -66.80 -28.63 50.51 -67.80 -29.77 50.32 2 0 12.80-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 230 -65.68 -28.57 48.34 -66.60 -28.27 48.10 -63.38 -27.83 47.66 -62.23 -28.23 47.45 -64.58 -28.72 47.36 -65.11 -28.39 45.95 3 0 11.91-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 231 -63.66 -26.62 48.13 -64.63 -26.43 48.25 -62.00 -25.82 49.82 -60.79 -25.68 49.96 -62.61 -25.67 48.44 -63.12 -24.24 48.26 3 0 13.26-999 ?-999 ?-999 ? CL CL D 584 mPHE~D 232 -62.79 -26.13 50.84 -63.76 -26.27 50.62 -62.04 -27.63 52.74 -61.78 -27.78 53.94 -62.21 -26.24 52.16 -62.97 -25.37 53.14 3 0 16.17-999 ?-999 ?-999 ? CL CL D 584 mTHR~D 233 -62.17 -28.64 51.90 -62.35 -28.37 50.95 -61.26 -30.85 51.36 -61.31 -30.60 50.16 -62.06 -30.02 52.35 -63.44 -30.66 52.48 2 0 17.32-999 ?-999 ?-999 ? CL CL D 584 mSER.D 234 -60.55 -31.86 51.86 -60.61 -31.97 52.85 -60.65 -33.43 49.97 -61.62 -34.08 50.35 -59.76 -32.71 50.97 -58.94 -33.71 51.79 2 0 19.06-999 ?-999 ?-999 ? CL CL D 584 mLEU.D 235 -60.34 -33.31 48.69 -59.54 -32.74 48.48 -60.64 -35.39 47.47 -61.02 -36.07 46.51 -61.17 -33.98 47.70 -61.23 -33.19 46.39 3 0 17.10-999 ?-999 ?-999 ? CL CL D 584 mASP.D 236 -59.74 -35.82 48.35 -59.50 -35.15 49.05 -58.63 -37.57 46.93 -58.47 -38.76 46.64 -59.18 -37.16 48.29 -60.23 -38.16 48.76 2 0 20.63-999 ?-999 ?-999 ? CL CL D 584 mARG.D 237 -58.35 -36.58 46.08 -58.54 -35.66 46.42 -56.98 -35.70 44.24 -56.94 -34.64 44.85 -57.79 -36.87 44.77 -58.89 -37.25 43.78 2 0 20.35-999 ?-999 ?-999 ? CL CL D 584 mTHR.D 238 -56.32 -35.91 43.10 -56.44 -36.82 42.70 -56.36 -33.89 41.73 -57.10 -34.28 40.81 -55.51 -34.85 42.52 -54.43 -35.40 41.59 2 0 20.62-999 ?-999 ?-999 ? CL CL D 584 mALA.D 239 -56.27 -32.62 42.11 -55.65 -32.45 42.88 -56.20 -31.09 40.25 -56.63 -31.15 39.10 -57.03 -31.59 41.43 -57.35 -30.46 42.37 2 0 17.64-999 ?-999 ?-999 ? CL CL D 584 mILE^D 240 -54.99 -30.63 40.54 -54.74 -30.67 41.51 -52.70 -30.58 39.77 -52.27 -30.63 40.92 -54.14 -30.13 39.49 -54.24 -28.59 39.45 3 0 19.76-999 ?-999 ?-999 ? CL CL D 584 mGLU^D 241 -51.98 -30.95 38.72 -52.45 -30.90 37.84 -49.69 -30.74 37.87 -50.12 -30.41 36.77 -50.60 -31.40 38.88 -50.51 -32.92 38.77 2 0 23.54-999 ?-999 ?-999 ? CL CL D 584 mLEU^D 242 -48.44 -30.54 38.26 -48.25 -30.87 39.19 -46.37 -30.92 36.95 -45.91 -31.76 37.72 -47.42 -29.92 37.42 -46.72 -28.79 38.18 3 0 26.32-999 ?-999 ?-999 ? CL CL D 584 mSER^D 243 -45.97 -30.80 35.69 -46.43 -30.07 35.19 -44.02 -30.82 34.24 -44.41 -30.30 33.19 -44.95 -31.66 35.10 -45.60 -32.76 34.27 2 0 29.44-999 ?-999 ?-999 ? CL CL D 584 mILE^D 244 -42.78 -30.68 34.70 -42.62 -31.16 35.56 -41.09 -30.69 32.90 -40.64 -31.81 33.13 -41.77 -29.89 34.01 -40.68 -29.42 34.98 3 0 32.31-999 ?-999 ?-999 ? CL CL D 584 mPHE^D 245 -41.03 -30.10 31.71 -41.45 -29.20 31.69 -39.14 -29.98 30.16 -38.81 -28.96 30.75 -40.42 -30.73 30.55 -41.38 -30.71 29.37 3 0 34.58-999 ?-999 ?-999 ? CL CL D 584 mASP^D 246 -38.43 -30.50 29.16 -38.81 -31.34 28.76 -37.45 -29.23 27.33 -36.98 -28.13 27.05 -37.20 -29.86 28.70 -36.08 -30.90 28.60 2 0 37.99-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 247 -38.20 -29.94 26.49 -38.50 -30.82 26.85 -39.77 -30.20 24.64 -39.89 -31.42 24.81 -38.53 -29.46 25.15 -37.36 -29.68 24.17 3 0 37.95-999 ?-999 ?-999 ? CL CL D 584 mHIS.D 248 -40.67 -29.46 24.00 -40.43 -28.50 23.91 -41.63 -31.33 22.74 -40.92 -31.33 21.74 -41.91 -30.04 23.49 -42.62 -29.05 22.55 3 0 35.76-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 249 -42.18 -32.43 23.25 -42.73 -32.30 24.07 -41.53 -34.82 23.56 -41.19 -35.92 23.11 -41.98 -33.72 22.61-999.99-999.99-999.99 1 0 36.91-999 ?-999 ?-999 ? CL CL D 584 mGLY^D 250 -41.51 -34.52 24.85 -41.81 -33.60 25.08 -39.94 -35.00 26.69 -39.51 -33.86 26.52 -41.09 -35.51 25.84-999.99-999.99-999.99 1 0 36.77-999 ?-999 ?-999 ? CL CL D 584 mGLN^D 251 -39.44 -35.85 27.58 -39.90 -36.74 27.58 -38.84 -34.91 29.77 -38.71 -33.70 30.00 -38.32 -35.53 28.48 -37.33 -34.56 27.81 2 0 38.31-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 252 -39.43 -35.74 30.63 -39.45 -36.69 30.32 -38.92 -35.10 32.98 -38.65 -36.03 33.73 -39.99 -35.28 31.90 -41.02 -36.28 32.42 3 0 35.79-999 ?-999 ?-999 ? CL CL D 584 mLEU^D 253 -38.32 -33.90 33.06 -38.65 -33.24 32.38 -37.74 -33.92 35.48 -37.00 -34.51 36.28 -37.28 -33.62 34.06 -36.84 -32.15 33.99 3 0 37.42-999 ?-999 ?-999 ? CL CL D 584 mASN^D 254 -38.95 -33.49 35.81 -39.43 -33.00 35.08 -40.97 -33.23 37.19 -41.33 -32.27 36.52 -39.52 -33.72 37.13 -38.69 -33.01 38.21 2 0 34.91-999 ?-999 ?-999 ? CL CL D 584 mARG^D 255 -41.78 -33.91 38.00 -41.35 -34.68 38.47 -43.54 -33.49 39.65 -43.10 -34.34 40.44 -43.18 -33.54 38.16 -44.09 -34.55 37.45 2 0 31.29-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 256 -44.33 -32.49 40.02 -44.60 -31.89 39.27 -46.29 -32.32 41.49 -46.98 -31.52 40.86 -44.77 -32.30 41.40 -44.26 -30.96 41.97 3 0 29.36-999 ?-999 ?-999 ? CL CL D 584 mVAL.D 257 -46.80 -33.25 42.28 -46.12 -33.84 42.73 -48.60 -33.27 43.92 -48.02 -33.93 44.79 -48.23 -33.39 42.46 -48.73 -34.74 41.96 3 0 26.50-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 258 -49.58 -32.41 44.22 -49.97 -31.93 43.43 -50.64 -33.48 46.16 -51.15 -34.33 45.41 -50.03 -32.21 45.59 -51.05 -31.08 45.44 3 0 24.88-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 259 -50.58 -33.62 47.48 -50.12 -32.87 47.95 -52.66 -34.81 47.97 -53.34 -33.79 48.04 -51.14 -34.78 48.17 -50.83 -34.72 49.67 2 0 25.54-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 260 -53.21 -36.01 47.72 -52.54 -36.75 47.70 -55.59 -35.79 48.63 -56.75 -35.47 48.37 -54.65 -36.23 47.50 -54.72 -37.74 47.24 3 0 23.13-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 261 -55.10 -35.79 49.87 -54.15 -36.08 49.95 -55.89 -33.88 51.26 -56.06 -33.44 52.39 -55.94 -35.38 50.99 -55.55 -36.14 52.28 2 0 23.08-999 ?-999 ?-999 ? CL CL D 584 mLYS.D 262 -55.65 -33.10 50.21 -55.51 -33.59 49.35 -56.85 -31.03 49.72 -57.52 -31.67 48.90 -55.61 -31.65 50.34 -54.36 -31.08 49.67 2 0 21.43-999 ?-999 ?-999 ? CL CL D 584 mSER~D 263 -57.16 -29.80 50.12 -56.53 -29.43 50.80 -57.92 -28.39 48.32 -56.73 -28.34 47.99 -58.33 -29.08 49.61 -58.77 -28.01 50.61 2 0 18.05-999 ?-999 ?-999 ? CL CL D 584 mCYH~D 264 -58.88 -27.84 47.59 -59.81 -27.92 47.96 -57.70 -25.93 46.50 -56.87 -25.60 45.65 -58.54 -27.18 46.34 -59.79 -26.86 45.55 2 0 15.93-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 265 -57.93 -25.23 47.60 -58.64 -25.60 48.21 -55.76 -24.46 48.19 -54.80 -23.83 47.76 -57.18 -24.03 47.88 -57.79 -23.30 49.08 3 0 17.49-999 ?-999 ?-999 ? CL CL D 584 mGLU~D 266 -55.63 -25.57 48.92 -56.49 -25.99 49.20 -53.58 -26.53 48.01 -52.50 -26.05 47.69 -54.31 -26.08 49.27 -54.43 -27.25 50.25 2 0 20.78-999 ?-999 ?-999 ? CL CL D 584 mGLN~D 267 -54.21 -27.47 47.31 -55.09 -27.77 47.69 -53.32 -26.89 45.10 -52.33 -26.97 44.36 -53.64 -28.00 46.09 -54.58 -29.03 45.49 2 0 20.53-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 268 -54.13 -25.84 45.09 -54.90 -25.89 45.72 -52.60 -23.99 44.66 -51.69 -23.74 43.87 -53.86 -24.73 44.20 -55.04 -23.76 44.19 3 0 19.47-999 ?-999 ?-999 ? CL CL D 584 mASP~D 269 -52.54 -23.66 45.95 -53.32 -23.93 46.50 -50.13 -23.76 46.25 -49.14 -23.26 45.73 -51.38 -22.94 46.46 -51.53 -22.63 47.96 2 0 22.44-999 ?-999 ?-999 ? CL CL D 584 mTYR~D 270 -50.17 -25.03 46.65 -51.04 -25.32 47.06 -48.50 -25.81 45.06 -47.30 -25.71 44.83 -49.02 -25.90 46.50 -49.40 -27.33 46.84 3 0 24.77-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 271 -49.43 -25.83 44.10 -50.37 -25.89 44.44 -48.50 -24.38 42.34 -47.60 -24.28 41.51 -49.08 -25.75 42.69 -50.30 -26.04 41.83 3 0 24.03-999 ?-999 ?-999 ? CL CL D 584 mGLU~D 272 -49.03 -23.33 42.94 -49.78 -23.52 43.58 -47.10 -21.87 43.27 -46.28 -21.11 42.78 -48.51 -21.99 42.67 -49.41 -20.91 43.27 2 0 24.61-999 ?-999 ?-999 ? CL CL D 584 mGLN~D 273 -46.85 -22.63 44.33 -47.62 -23.20 44.62 -44.46 -23.06 44.03 -43.46 -22.36 43.85 -45.54 -22.63 45.00 -45.55 -23.62 46.16 2 0 27.82-999 ?-999 ?-999 ? CL CL D 584 mALA~D 274 -44.67 -24.23 43.44 -45.52 -24.67 43.71 -43.60 -23.90 41.29 -42.51 -23.42 40.97 -43.73 -24.81 42.49 -44.22 -26.18 42.05 2 0 29.28-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 275 -44.71 -23.66 40.62 -45.53 -24.10 40.99 -43.91 -21.54 39.65 -43.38 -20.97 38.69 -44.72 -22.81 39.44 -46.15 -22.47 39.06 3 0 28.24-999 ?-999 ?-999 ? CL CL D 584 mASN~D 276 -43.81 -21.09 40.89 -44.28 -21.65 41.57 -41.57 -20.09 41.03 -40.86 -19.22 40.54 -43.07 -19.87 41.20 -43.35 -19.42 42.63 2 0 30.15-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 277 -41.11 -21.26 41.47 -41.80 -21.86 41.85 -39.31 -21.84 39.92 -38.28 -21.35 39.46 -39.70 -21.61 41.37 -39.39 -22.90 42.16 3 0 33.33-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 278 -40.15 -22.59 39.22 -40.95 -22.89 39.74 -39.94 -21.69 36.91 -39.28 -21.67 35.87 -39.94 -22.92 37.81 -41.02 -23.91 37.31 3 0 33.09-999 ?-999 ?-999 ? CL CL D 584 mASN~D 279 -40.69 -20.67 37.31 -41.18 -20.83 38.16 -39.46 -18.65 36.75 -39.47 -17.44 37.00 -40.76 -19.44 36.54 -41.97 -18.63 36.99 2 0 32.70-999 ?-999 ?-999 ? CL CL D 584 mLYS.D 280 -38.34 -19.38 36.62 -38.54 -20.33 36.39 -36.79 -17.38 37.04 -36.63 -16.97 38.19 -36.98 -18.87 36.79 -36.10 -19.32 35.61 2 0 36.47-999 ?-999 ?-999 ? CL CL D 584 mASN.D 281 -36.80 -16.56 35.99 -36.96 -17.02 35.11 -35.08 -14.84 36.20 -34.46 -14.41 35.22 -36.58 -15.12 36.13 -37.26 -14.59 37.40 2 0 37.64-999 ?-999 ?-999 ? CL CL D 584 mVAL.D 293 -37.39 -9.84 36.58 -36.59 -9.67 37.15 -38.66 -11.56 35.30 -37.80 -12.04 34.55 -38.56 -10.09 35.74 -38.53 -9.19 34.47 3 0 37.35-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 294 -39.70 -12.28 35.75 -40.32 -11.76 36.34 -40.28 -13.93 33.95 -40.91 -13.09 33.30 -39.91 -13.69 35.41 -41.03 -14.11 36.36 3 0 34.93-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 295 -39.89 -15.10 33.44 -39.40 -15.68 34.09 -41.58 -15.15 31.69 -41.82 -14.29 30.84 -40.15 -15.48 32.06 -39.89 -16.98 31.88 2 0 34.85-999 ?-999 ?-999 ? CL CL D 584 mILE.D 296 -42.53 -15.82 32.33 -42.19 -16.51 32.97 -44.44 -14.63 33.18 -44.12 -14.83 34.35 -43.94 -15.55 32.07 -44.77 -16.83 32.07 3 0 31.29-999 ?-999 ?-999 ? CL CL D 584 mPRO~D 297 -45.24 -13.61 32.82 -45.43 -13.54 31.85 -46.55 -13.42 34.94 -47.56 -14.07 34.67 -45.76 -12.70 33.85 -46.59 -11.72 33.03 3 0 30.12-999 ?-999 ?-999 ? CL CL D 584 mARG~D 298 -46.08 -13.29 36.18 -45.26 -12.72 36.23 -48.23 -13.95 37.31 -48.84 -14.97 37.62 -46.70 -13.92 37.34 -46.23 -13.21 38.61 2 0 28.25-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 299 -48.83 -12.83 36.92 -48.20 -12.10 36.68 -50.96 -13.68 35.89 -51.84 -14.46 36.27 -50.29 -12.71 36.86 -50.65 -11.28 36.46 3 0 25.53-999 ?-999 ?-999 ? CL CL D 584 mALA~D 300 -50.55 -13.60 34.63 -49.84 -12.92 34.47 -51.00 -15.91 33.98 -51.90 -16.70 33.69 -51.09 -14.45 33.57 -50.32 -14.23 32.28 2 0 24.76-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 301 -49.91 -16.27 34.63 -49.24 -15.55 34.79 -50.83 -17.95 36.07 -51.65 -18.85 35.86 -49.74 -17.65 35.06 -48.39 -17.89 35.73 3 0 24.59-999 ?-999 ?-999 ? CL CL D 584 mARG~D 302 -50.85 -17.20 37.16 -50.14 -16.49 37.20 -53.26 -17.39 37.65 -54.09 -18.22 38.01 -51.84 -17.42 38.21 -51.67 -16.37 39.32 2 0 22.19-999 ?-999 ?-999 ? CL CL D 584 mGLU~D 303 -53.53 -16.43 36.77 -52.76 -15.83 36.55 -55.24 -17.60 35.45 -56.22 -18.26 35.79 -54.86 -16.32 36.18 -54.91 -15.13 35.21 2 0 20.05-999 ?-999 ?-999 ? CL CL D 584 mALA~D 304 -54.45 -17.95 34.44 -53.69 -17.33 34.27 -54.91 -20.34 34.60 -55.70 -21.24 34.32 -54.69 -19.16 33.67 -53.52 -19.43 32.75 2 0 19.98-999 ?-999 ?-999 ? CL CL D 584 mMETD 305 -54.18 -20.34 35.70 -53.58 -19.55 35.80 -55.66 -21.56 37.27 -56.40 -22.47 36.91 -54.27 -21.41 36.68 -53.29 -21.16 37.82 2 0 19.17-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 306 -56.00 -20.67 38.17 -55.32 -19.96 38.37 -58.45 -20.67 37.83 -59.54 -21.17 38.10 -57.30 -20.76 38.81 -57.40 -19.70 39.91 3 0 16.03-999 ?-999 ?-999 ? CL CL D 584 mASN~D 307 -58.20 -20.06 36.67 -57.28 -19.70 36.57 -59.66 -21.37 35.23 -60.83 -21.66 34.97 -59.25 -19.97 35.66 -58.76 -19.16 34.47 2 0 14.98-999 ?-999 ?-999 ? CL CL D 584 mALA~D 308 -58.68 -22.26 35.17 -57.77 -21.91 35.37 -59.57 -24.28 36.07 -60.48 -25.10 35.99 -58.96 -23.65 34.81 -57.66 -24.36 34.42 2 0 14.99-999 ?-999 ?-999 ? CL CL D 584 mMETD 309 -59.04 -23.88 37.22 -58.32 -23.20 37.12 -60.97 -24.11 38.78 -61.64 -24.86 39.50 -59.49 -24.39 38.50 -58.63 -23.76 39.59 2 0 13.55-999 ?-999 ?-999 ? CL CL D 584 mILE~D 310 -61.49 -23.04 38.21 -60.84 -22.52 37.65 -63.81 -23.18 37.28 -64.98 -23.46 37.52 -62.89 -22.66 38.39 -63.02 -21.12 38.45 3 0 10.30-999 ?-999 ?-999 ? CL CL D 584 mHIS~D 311 -63.29 -23.30 36.06 -62.32 -23.06 35.97 -63.84 -25.20 34.53 -64.27 -25.63 33.47 -64.11 -23.77 34.97 -63.98 -22.82 33.79 3 0 10.27-999 ?-999 ?-999 ? CL CL D 584 mARG~D 312 -63.14 -25.93 35.39 -62.86 -25.42 36.20 -64.11 -28.10 35.10 -65.18 -27.54 35.34 -62.80 -27.33 35.16 -61.96 -27.80 36.35 2 0 11.80-999 ?-999 ?-999 ? CL CL D 584 mASP.D 313 -64.05 -29.39 34.75 -63.14 -29.74 34.53 -65.60 -30.61 36.14 -66.74 -30.52 36.57 -65.27 -30.17 34.72 -65.13 -31.41 33.85 2 0 11.26-999 ?-999 ?-999 ? CL CL D 584 mTRP.D 314 -64.59 -31.08 36.87 -63.72 -31.10 36.38 -65.49 -32.86 38.36 -65.26 -33.60 39.31 -64.77 -31.54 38.25 -65.53 -30.51 39.09 3 0 11.26-999 ?-999 ?-999 ? CL CL D 584 mASN.D 315 -66.35 -33.17 37.40 -66.45 -32.48 36.67 -66.21 -35.51 36.83 -66.55 -36.70 36.84 -67.08 -34.42 37.44 -68.42 -34.28 36.72 2 0 12.24-999 ?-999 ?-999 ? CL CL D 584 mARG.D 316 -65.06 -35.09 36.30 -64.92 -34.10 36.37 -62.93 -36.29 36.63 -62.71 -35.60 37.63 -64.09 -35.99 35.69 -63.58 -35.41 34.36 2 0 15.55-999 ?-999 ?-999 ? CL CL D 584 mSER.D 317 -62.18 -37.34 36.29 -62.46 -37.77 35.44 -59.76 -37.07 36.79 -59.15 -36.45 37.69 -61.06 -37.80 37.10 -60.87 -39.29 36.86 2 0 18.44-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 318 -59.35 -37.15 35.53 -59.95 -37.66 34.92 -57.95 -35.10 35.61 -58.79 -34.24 35.36 -58.10 -36.53 35.09 -57.97 -36.56 33.55 2 0 20.05-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 319 -56.87 -34.85 36.37 -56.29 -35.66 36.50 -56.07 -32.57 35.94 -55.53 -32.95 34.90 -56.56 -33.55 36.96 -55.45 -33.87 37.96 3 0 19.21-999 ?-999 ?-999 ? CL CL D 584 mILE^D 320 -56.26 -31.30 36.24 -56.74 -31.12 37.10 -54.31 -30.57 35.17 -53.55 -30.59 36.14 -55.79 -30.27 35.35 -55.98 -28.89 35.97 3 0 18.88-999 ?-999 ?-999 ? CL CL D 584 mASP^D 321 -53.91 -30.82 33.93 -54.63 -30.79 33.24 -51.79 -29.88 33.17 -52.00 -29.42 32.05 -52.52 -31.13 33.65 -52.44 -32.24 32.59 2 0 22.58-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 322 -50.94 -29.34 34.03 -50.87 -29.82 34.91 -48.70 -28.52 33.53 -48.07 -29.03 34.45 -50.16 -28.16 33.70 -50.29 -27.06 34.79 3 0 24.04-999 ?-999 ?-999 ? CL CL D 584 mARG^D 323 -48.17 -28.24 32.34 -48.80 -27.82 31.69 -45.99 -27.27 31.76 -46.56 -26.23 31.40 -46.78 -28.54 32.05 -46.69 -29.51 30.86 2 0 27.76-999 ?-999 ?-999 ? CL CL D 584 mTRP^D 324 -44.68 -27.35 31.92 -44.35 -28.25 32.21 -42.62 -26.63 30.82 -41.90 -27.56 31.17 -43.81 -26.22 31.68 -43.32 -25.67 33.03 3 0 30.43-999 ?-999 ?-999 ? CL CL D 584 mILE^D 325 -42.43 -25.95 29.70 -43.10 -25.22 29.54 -40.16 -25.34 29.10 -40.26 -24.12 28.95 -41.33 -26.24 28.78 -41.73 -25.99 27.32 3 0 33.68-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 326 -39.05 -25.93 29.53 -39.11 -26.93 29.57 -37.30 -24.25 28.82 -37.26 -23.03 28.99 -37.87 -25.16 29.91 -36.77 -26.10 30.41 2 0 36.56-999 ?-999 ?-999 ? CL CL D 584 mLEU.D 327 -36.85 -24.84 27.71 -36.96 -25.83 27.70 -37.22 -23.06 25.98 -36.91 -21.88 25.87 -36.26 -24.05 26.63 -35.67 -24.98 25.57 3 0 39.10-999 ?-999 ?-999 ? CL CL D 584 mASP.D 328 -38.38 -23.55 25.54 -38.50 -24.53 25.69 -39.95 -21.66 25.86 -40.52 -20.65 25.43 -39.37 -22.69 24.90 -40.51 -23.52 24.32 2 0 36.92-999 ?-999 ?-999 ? CL CL D 584 mSER.D 329 -39.81 -21.91 27.15 -39.33 -22.76 27.36 -41.80 -20.78 27.94 -42.27 -19.65 27.88 -40.31 -21.00 28.17 -39.59 -19.65 28.07 2 0 34.91-999 ?-999 ?-999 ? CL CL D 584 mTHR^D 330 -42.54 -21.88 27.80 -42.04 -22.74 27.86 -44.75 -22.64 28.57 -44.29 -23.72 28.95 -43.98 -21.78 27.58 -44.37 -22.20 26.15 2 0 31.68-999 ?-999 ?-999 ? CL CL D 584 mLEU^D 331 -45.92 -22.16 28.98 -46.16 -21.27 28.59 -48.00 -23.35 29.20 -48.58 -22.62 28.40 -46.75 -22.89 29.91 -47.15 -22.00 31.10 3 0 28.16-999 ?-999 ?-999 ? CL CL D 584 mILE^D 332 -48.41 -24.58 29.49 -47.84 -25.06 30.16 -50.47 -25.76 29.96 -50.04 -26.67 30.68 -49.59 -25.15 28.89 -49.22 -26.23 27.87 3 0 25.97-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 333 -51.69 -25.26 30.08 -51.91 -24.53 29.44 -53.78 -26.47 30.42 -54.64 -25.83 29.82 -52.61 -25.76 31.08 -53.15 -24.63 31.97 3 0 22.35-999 ?-999 ?-999 ? CL CL D 584 mARG^D 334 -53.79 -27.79 30.56 -53.02 -28.14 31.10 -55.81 -29.03 31.07 -55.46 -29.71 32.04 -54.82 -28.64 29.99 -54.17 -29.90 29.38 2 0 21.31-999 ?-999 ?-999 ? CL CL D 584 mSER^D 335 -57.06 -28.60 30.90 -57.21 -28.06 30.08 -59.20 -29.75 31.25 -59.56 -29.55 30.09 -58.09 -28.92 31.87 -58.69 -27.64 32.46 2 0 17.72-999 ?-999 ?-999 ? CL CL D 584 mPRO^D 336 -59.75 -30.70 32.01 -59.36 -30.77 32.93 -62.08 -30.78 31.22 -62.31 -29.70 31.76 -60.82 -31.57 31.54 -61.03 -32.53 32.70 3 0 16.71-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 337 -62.90 -31.34 30.32 -62.59 -32.22 29.96 -63.92 -29.70 28.81 -62.78 -29.29 28.57 -64.15 -30.69 29.93-999.99-999.99-999.99 1 0 15.09-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 338 -64.99 -29.33 28.13 -65.85 -29.73 28.42 -65.79 -27.18 27.12 -66.65 -27.10 28.00 -64.86 -28.38 27.04-999.99-999.99-999.99 1 0 16.08-999 ?-999 ?-999 ? CL CL D 584 mPHE.D 339 -65.61 -26.25 26.19 -64.87 -26.45 25.55 -67.91 -25.37 26.21 -68.41 -26.23 25.49 -66.42 -25.04 26.12 -66.16 -24.33 24.80 3 0 15.59-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 340 -68.64 -24.68 27.11 -68.14 -24.00 27.65 -70.79 -24.73 25.90 -70.75 -23.64 25.34 -70.07 -24.95 27.23 -70.52 -23.98 28.33 3 0 13.36-999 ?-999 ?-999 ? CL CL D 584 mALA.D 341 -71.44 -25.79 25.40 -71.37 -26.60 25.99 -72.76 -24.42 23.80 -73.93 -24.16 24.09 -72.17 -25.78 24.14 -73.28 -26.83 24.17 2 0 16.23-999 ?-999 ?-999 ? CL CL D 584 mALA.D 342 -71.95 -23.56 23.18 -71.04 -23.92 23.00 -71.15 -21.31 22.64 -71.09 -20.49 21.72 -72.37 -22.21 22.81 -73.29 -21.62 23.88 2 0 17.55-999 ?-999 ?-999 ? CL CL D 584 mILE.D 343 -70.18 -21.47 23.54 -70.38 -22.18 24.22 -67.87 -21.31 22.67 -67.63 -22.51 22.72 -68.95 -20.68 23.54 -68.39 -20.54 24.97 3 0 17.50-999 ?-999 ?-999 ? CL CL D 584 mTHR.D 344 -67.21 -20.48 21.86 -67.51 -19.52 21.92 -64.88 -20.13 21.19 -64.87 -19.17 21.97 -66.15 -20.95 20.98 -66.60 -20.87 19.50 2 0 20.66-999 ?-999 ?-999 ? CL CL D 584 mSER.D 345 -63.81 -20.50 20.49 -63.95 -21.29 19.90 -62.67 -18.31 20.25 -61.73 -17.54 20.43 -62.53 -19.79 20.60 -61.48 -20.43 19.69 2 0 22.63-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 346 -63.84 -17.93 19.73 -64.50 -18.68 19.64 -65.16 -15.91 20.27 -65.63 -14.80 20.02 -64.12 -16.55 19.34 -64.61 -16.49 17.89 2 0 23.89-999 ?-999 ?-999 ? CL CL D 584 mASN.D 347 -65.51 -16.63 21.33 -65.04 -17.51 21.40 -65.92 -16.18 23.73 -66.57 -15.71 24.67 -66.48 -16.16 22.31 -67.73 -17.04 22.25 2 0 20.63-999 ?-999 ?-999 ? CL CL D 584 mVAL.D 348 -64.71 -16.71 23.87 -64.31 -17.04 23.02 -63.91 -15.43 25.82 -64.57 -15.13 26.81 -64.07 -16.80 25.17 -62.69 -17.48 25.05 3 0 18.93-999 ?-999 ?-999 ? CL CL D 584 mLEU.D 349 -63.03 -14.58 25.27 -62.57 -14.94 24.46 -64.08 -12.44 26.12 -64.07 -11.54 26.97 -62.81 -13.25 25.82 -61.91 -12.43 24.90 3 0 20.66-999 ?-999 ?-999 ? CL CL D 584 mSER.D 350 -65.17 -12.75 25.42 -65.03 -13.49 24.76 -67.46 -13.03 26.19 -68.56 -13.21 25.64 -66.45 -12.07 25.61 -66.99 -11.51 24.29 2 0 19.99-999 ?-999 ?-999 ? CL CL D 584 mASN.D 351 -67.09 -13.66 27.29 -66.17 -13.43 27.61 -67.86 -14.45 29.46 -66.79 -14.61 30.04 -67.97 -14.61 27.95 -67.61 -16.04 27.57 2 0 16.27-999 ?-999 ?-999 ? CL CL D 584 mARG.D 352 -68.99 -14.13 30.09 -69.79 -14.04 29.49 -69.72 -15.10 32.22 -69.58 -15.28 33.42 -69.03 -13.93 31.52 -69.75 -12.62 31.84 2 0 13.90-999 ?-999 ?-999 ? CL CL D 584 mALA.D 353 -70.46 -15.90 31.45 -70.49 -15.63 30.49 -70.16 -18.15 32.38 -69.18 -18.37 31.67 -71.17 -17.07 31.98 -72.14 -17.62 30.95 2 0 10.95-999 ?-999 ?-999 ? CL CL D 584 mALA.D 354 -70.40 -18.82 33.51 -71.24 -18.54 33.98 -70.18 -21.21 34.15 -71.40 -21.28 34.33 -69.49 -19.85 34.00 -68.89 -19.42 35.32 2 0 8.27-999 ?-999 ?-999 ? CL CL D 584 mARG.D 355 -69.40 -22.28 34.10 -68.43 -22.08 33.96 -70.50 -23.83 35.64 -71.55 -24.43 35.82 -69.94 -23.62 34.24 -68.86 -24.67 33.97 2 0 6.72-999 ?-999 ?-999 ? CL CL D 584 mTYR~D 356 -69.77 -23.32 36.63 -68.94 -22.85 36.34 -70.26 -22.09 38.70 -69.35 -21.69 39.43 -70.17 -23.45 38.02 -69.15 -24.32 38.76 3 0 -3.59-999 ?-999 ?-999 ? CL CL D 584s mPRO~D 357 -71.37 -21.36 38.48 -72.04 -21.80 37.89 -71.20 -19.98 40.57 -70.39 -19.17 41.00 -71.54 -20.04 39.08 -73.01 -19.71 38.80 3 0 -4.39-999 ?-999 ?-999 ? CL CL D 584s mALA~D 358 -71.84 -20.85 41.35 -72.47 -21.45 40.87 -70.13 -21.09 43.11 -69.63 -20.58 44.12 -71.62 -20.90 42.80 -72.43 -22.03 43.42 2 0 -4.24-999 ?-999 ?-999 ? CL CL D 584s mLEU~D 359 -69.44 -21.83 42.26 -69.96 -22.21 41.49 -67.30 -20.75 42.17 -66.50 -20.29 42.98 -68.03 -22.05 42.47 -67.52 -23.20 41.58 3 0 5.72-999 ?-999 ?-999 ? CL CL D 584 mALA~D 360 -67.59 -20.12 41.03 -68.28 -20.56 40.46 -67.12 -17.81 41.79 -66.17 -17.17 42.22 -66.92 -18.86 40.70 -67.40 -18.31 39.37 2 0 7.94-999 ?-999 ?-999 ? CL CL D 584 mASP~D 361 -68.36 -17.64 42.24 -69.05 -18.22 41.81 -67.82 -16.95 44.53 -67.19 -16.05 45.11 -68.66 -16.66 43.28 -70.15 -16.68 43.62 2 0 9.04-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 362 -67.83 -18.21 44.94 -68.39 -18.83 44.40 -65.61 -18.13 46.00 -64.95 -17.88 47.00 -67.07 -18.60 46.11 -67.11 -20.12 46.27 3 0 9.90-999 ?-999 ?-999 ? CL CL D 584 mTYR~D 363 -65.11 -18.00 44.77 -65.74 -18.24 44.03 -63.69 -16.02 44.65 -62.67 -15.44 45.04 -63.74 -17.53 44.56 -63.21 -17.99 43.21 3 0 12.04-999 ?-999 ?-999 ? CL CL D 584 mARG~D 364 -64.80 -15.37 44.28 -65.54 -15.96 43.96 -64.98 -13.52 45.80 -64.30 -12.61 46.26 -64.88 -13.91 44.34 -66.12 -13.39 43.60 2 0 13.55-999 ?-999 ?-999 ? CL CL D 584 mALA~D 365 -65.83 -14.24 46.53 -66.31 -14.95 46.02 -64.70 -14.02 48.69 -64.46 -13.23 49.62 -66.02 -13.97 47.94 -66.99 -14.98 48.52 2 0 14.42-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 366 -63.84 -14.96 48.28 -64.19 -15.50 47.52 -61.51 -14.12 48.46 -60.41 -14.06 49.01 -62.53 -15.16 48.89 -61.99 -16.55 48.53 3 0 16.17-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 367 -61.89 -13.31 47.48 -62.81 -13.47 47.13 -59.86 -12.84 46.14 -58.74 -12.32 46.17 -60.99 -12.27 46.98-999.99-999.99-999.99 1 0 18.05-999 ?-999 ?-999 ? CL CL D 584 mLEU.D 368 -60.15 -13.89 45.38 -61.11 -14.18 45.45 -59.29 -14.23 43.03 -58.33 -14.38 42.28 -59.17 -14.55 44.54 -59.26 -16.06 44.77 3 0 17.24-999 ?-999 ?-999 ? CL CL D 584 mVAL.D 369 -60.46 -13.79 42.60 -61.16 -13.70 43.30 -61.40 -12.12 41.09 -62.04 -11.69 42.04 -60.69 -13.46 41.19 -61.57 -14.51 40.53 3 0 16.20-999 ?-999 ?-999 ? CL CL D 584 mASP.D 370 -61.30 -11.47 39.94 -60.74 -11.93 39.25 -63.39 -10.44 39.27 -63.92 -11.53 39.50 -61.96 -10.17 39.74 -61.24 -9.36 38.67 2 0 17.67-999 ?-999 ?-999 ? CL CL D 584 mLYS.D 371 -64.01 -9.46 38.61 -63.47 -8.63 38.50 -65.50 -10.92 37.28 -66.18 -11.86 37.70 -65.38 -9.63 38.10 -65.79 -8.42 37.25 2 0 16.40-999 ?-999 ?-999 ? CL CL D 584 mGLN~D 372 -64.84 -10.96 36.12 -64.35 -10.11 35.90 -64.00 -11.97 34.03 -62.86 -12.44 33.95 -64.84 -12.15 35.28 -66.26 -12.56 34.87 2 0 15.21-999 ?-999 ?-999 ? CL CL D 584 mGLY~D 373 -64.56 -11.29 33.04 -65.49 -10.96 33.22 -62.54 -10.33 32.10 -61.54 -10.54 31.43 -63.84 -11.06 31.81-999.99-999.99-999.99 1 0 17.95-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 374 -62.57 -9.47 33.12 -63.46 -9.40 33.58 -60.22 -9.64 33.77 -59.07 -9.27 33.58 -61.40 -8.70 33.50 -61.67 -7.89 34.78 3 0 20.33-999 ?-999 ?-999 ? CL CL D 584 mGLY~D 375 -60.53 -10.85 34.21 -61.51 -11.03 34.32 -58.71 -12.22 33.26 -57.56 -11.84 33.08 -59.49 -11.82 34.50-999.99-999.99-999.99 1 0 19.04-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 376 -59.36 -13.00 32.41 -60.29 -13.24 32.67 -58.20 -12.25 30.38 -57.15 -12.35 29.75 -58.73 -13.44 31.19 -59.71 -14.25 30.34 3 0 19.89-999 ?-999 ?-999 ? CL CL D 584 mASP~D 377 -58.92 -11.13 30.41 -59.75 -11.19 30.96 -57.15 -9.42 30.17 -56.28 -9.09 29.36 -58.50 -9.93 29.68 -59.52 -8.79 29.83 2 0 22.78-999 ?-999 ?-999 ? CL CL D 584 mARG~D 378 -56.97 -9.33 31.48 -57.75 -9.62 32.03 -54.59 -9.84 31.68 -53.44 -9.44 31.48 -55.69 -8.86 32.02 -55.77 -8.70 33.54 2 0 24.39-999 ?-999 ?-999 ? CL CL D 584 mMETD 379 -54.93 -11.13 31.63 -55.89 -11.31 31.84 -53.33 -11.73 29.96 -52.11 -11.63 29.85 -53.96 -12.16 31.28 -54.67 -13.51 31.13 2 0 24.10-999 ?-999 ?-999 ? CL CL D 584 mTYR~D 380 -54.17 -11.47 28.97 -55.14 -11.60 29.18 -52.85 -9.77 27.83 -51.68 -9.76 27.45 -53.69 -11.02 27.67 -54.86 -10.73 26.75 3 0 26.41-999 ?-999 ?-999 ? CL CL D 584 mGLN~D 381 -53.43 -8.71 28.38 -54.39 -8.85 28.62 -51.28 -7.78 29.08 -50.31 -7.22 28.58 -52.69 -7.48 28.59 -53.38 -6.60 29.64 2 0 28.63-999 ?-999 ?-999 ? CL CL D 584 mALA~D 382 -51.19 -8.67 30.06 -52.08 -9.05 30.33 -48.87 -9.53 29.68 -47.68 -9.27 29.86 -49.92 -9.07 30.67 -50.17 -10.18 31.69 2 0 29.06-999 ?-999 ?-999 ? CL CL D 584 mMETD 383 -49.33 -10.22 28.65 -50.32 -10.36 28.65 -48.14 -9.65 26.59 -47.00 -9.21 26.47 -48.45 -10.74 27.61 -49.14 -11.91 26.91 2 0 30.58-999 ?-999 ?-999 ? CL CL D 584 mILE~D 384 -49.17 -9.21 25.88 -50.04 -9.64 26.09 -48.01 -7.11 25.31 -47.04 -6.85 24.61 -49.00 -8.18 24.87 -50.34 -7.50 24.53 3 0 32.56-999 ?-999 ?-999 ? CL CL D 584 mALA~D 385 -48.24 -6.52 26.47 -49.04 -6.86 26.96 -45.88 -5.76 26.90 -45.11 -4.96 26.37 -47.37 -5.45 26.97 -47.75 -5.11 28.41 2 0 32.74-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 386 -45.49 -6.90 27.44 -46.22 -7.46 27.83 -43.52 -7.71 26.09 -42.31 -7.87 25.94 -44.08 -7.29 27.45 -43.87 -8.42 28.47 3 0 35.24-999 ?-999 ?-999 ? CO CO B 601 mGLY~D 387 -44.40 -7.87 25.10 -45.35 -7.71 25.33 -44.28 -9.68 23.37 -44.42 -9.96 22.18 -43.93 -8.26 23.78-999.99-999.99-999.99 1 0 36.89-999 ?-999 ?-999 ? CL CL D 584 mHIS.D 388 -44.41 -10.58 24.34 -44.26 -10.21 25.26 -46.04 -12.05 23.28 -46.80 -11.08 23.25 -44.75 -11.98 24.08 -44.98 -12.74 25.38 3 0 34.65-999 ?-999 ?-999 ? CL CL D 584 mARG.D 389 -46.30 -13.19 22.65 -45.60 -13.90 22.74 -48.67 -13.76 22.83 -48.48 -14.59 23.72 -47.53 -13.34 21.90 -47.37 -14.34 20.76 2 0 33.10-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 390 -49.86 -13.19 22.63 -49.87 -12.53 21.87 -51.32 -14.95 23.59 -51.03 -15.76 22.71 -51.04 -13.48 23.44 -52.17 -12.77 22.69 3 0 29.54-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 391 -51.89 -15.32 24.74 -52.08 -14.58 25.37 -53.21 -17.27 24.00 -54.02 -16.52 23.45 -52.21 -16.72 25.01 -52.76 -16.68 26.44 3 0 26.73-999 ?-999 ?-999 ? CL CL D 584 mTHR^D 392 -53.13 -18.57 23.74 -52.41 -19.06 24.22 -54.88 -20.22 23.54 -54.37 -21.29 23.89 -54.06 -19.17 22.81 -53.32 -19.81 21.60 2 0 26.15-999 ?-999 ?-999 ? CL CL D 584 mILE^D 393 -56.13 -19.89 23.81 -56.41 -18.98 23.49 -57.85 -21.62 23.49 -58.78 -21.10 22.89 -57.02 -20.82 24.51 -57.93 -20.04 25.51 3 0 22.61-999 ?-999 ?-999 ? CL CL D 584 mGLU^D 394 -57.47 -22.88 23.30 -56.70 -23.16 23.87 -58.78 -24.99 23.02 -58.42 -25.36 24.14 -58.15 -23.77 22.35 -57.14 -24.23 21.29 2 0 23.21-999 ?-999 ?-999 ? CL CL D 584 mGLU^D 395 -59.74 -25.61 22.32 -59.94 -25.19 21.44 -59.86 -28.04 22.13 -59.83 -28.12 20.90 -60.42 -26.81 22.83 -61.92 -26.73 22.58 2 0 21.63-999 ?-999 ?-999 ? CL CL D 584 mILE^D 396 -59.43 -29.02 22.93 -59.52 -28.82 23.90 -59.87 -31.39 22.58 -60.85 -31.26 23.31 -58.88 -30.25 22.40 -57.56 -30.63 23.12 3 0 23.55-999 ?-999 ?-999 ? CL CL D 584 mALA.D 397 -59.61 -32.50 21.90 -58.79 -32.46 21.33 -60.33 -34.28 23.38 -59.21 -34.42 23.89 -60.47 -33.67 21.99 -60.08 -34.68 20.93 2 0 24.11-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 398 -61.45 -34.63 24.00 -62.30 -34.46 23.49 -62.74 -35.41 25.99 -63.12 -36.56 26.28 -61.39 -35.21 25.32-999.99-999.99-999.99 1 0 21.93-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 399 -63.48 -34.33 26.27 -64.35 -34.56 26.70 -61.94 -32.39 26.83 -61.63 -32.91 27.90 -63.10 -32.94 25.98 -64.40 -32.17 26.21 3 0 19.48-999 ?-999 ?-999 ? CL CL D 584 mPHE^D 400 -61.32 -31.33 26.34 -61.69 -31.01 25.47 -60.06 -29.24 26.59 -60.52 -28.85 25.52 -60.19 -30.70 27.02 -58.91 -31.45 26.67 3 0 19.54-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 401 -59.42 -28.43 27.42 -59.09 -28.86 28.26 -57.83 -26.63 27.55 -57.53 -26.72 28.74 -59.22 -27.03 27.08 -60.24 -26.14 27.77 3 0 19.24-999 ?-999 ?-999 ? CL CL D 584 mGLU^D 402 -56.99 -26.20 26.62 -57.35 -26.17 25.68 -55.31 -24.36 26.70 -55.60 -23.83 25.62 -55.64 -25.81 27.00 -54.60 -26.72 26.33 2 0 21.85-999 ?-999 ?-999 ? CL CL D 584 mTHR^D 403 -54.68 -23.73 27.68 -54.53 -24.28 28.50 -52.74 -22.41 27.46 -52.08 -23.08 28.25 -54.27 -22.34 27.57 -54.67 -21.56 28.85 2 0 22.62-999 ?-999 ?-999 ? CL CL D 584 mTHR^D 404 -52.17 -21.74 26.45 -52.81 -21.24 25.86 -50.12 -20.37 26.32 -50.51 -19.48 25.57 -50.72 -21.76 26.27 -50.33 -22.39 24.93 2 0 26.33-999 ?-999 ?-999 ? CL CL D 584 mLEU^D 405 -49.15 -20.19 27.22 -48.94 -21.00 27.77 -47.02 -19.05 26.98 -46.31 -19.92 27.48 -48.48 -18.91 27.37 -48.58 -18.41 28.81 3 0 28.10-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 406 -46.58 -18.18 26.07 -47.28 -17.54 25.75 -44.47 -16.96 26.16 -44.67 -15.84 25.69 -45.21 -18.17 25.59 -45.15 -18.06 24.07 3 0 31.90-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 407 -43.62 -17.20 27.16 -43.54 -18.16 27.43 -41.46 -15.95 27.27 -41.17 -16.17 26.09 -42.88 -16.11 27.77-999.99-999.99-999.99 1 0 33.48-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 408 -40.56 -15.54 28.17 -40.93 -15.38 29.08 -38.68 -13.94 28.09 -39.27 -13.23 28.90 -39.17 -15.35 27.81-999.99-999.99-999.99 1 0 37.01-999 ?-999 ?-999 ? CL CL D 584 mARG.D 409 -37.60 -13.54 27.43 -37.19 -14.21 26.82 -38.03 -11.20 27.01 -38.53 -11.40 25.90 -37.08 -12.19 27.63 -35.69 -12.05 27.01 2 0 39.80-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 410 -38.32 -10.11 27.73 -37.87 -10.08 28.62 -38.56 -8.19 26.20 -37.47 -7.66 26.43 -39.22 -9.07 27.25 -39.57 -8.31 28.53 3 0 38.88-999 ?-999 ?-999 ? CO CO B 601 mVAL~D 411 -39.22 -8.05 25.05 -40.09 -8.55 25.02 -38.61 -5.77 24.35 -39.60 -5.04 24.36 -38.71 -7.24 23.95 -39.59 -7.43 22.69 3 0 39.07-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 412 -37.40 -5.36 24.70 -36.70 -6.06 24.63 -37.87 -2.89 24.41 -38.60 -2.12 25.05 -37.12 -4.00 25.14 -35.61 -3.72 25.07 3 0 37.02-999 ?-999 ?-999 ? CO CO B 601 mPRO~D 413 -37.72 -2.79 23.08 -37.13 -3.47 22.65 -39.93 -1.61 22.71 -40.44 -0.52 22.98 -38.43 -1.72 22.37 -38.16 -2.04 20.89 3 0 36.09-999 ?-999 ?-999 ? CO CO B 601 mVAL~D 414 -40.62 -2.74 22.70 -40.09 -3.56 22.48 -42.29 -2.24 24.43 -43.31 -1.61 24.69 -42.04 -2.76 23.02 -42.60 -4.18 22.88 3 0 34.66-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 415 -41.35 -2.50 25.33 -40.58 -3.03 24.98 -41.47 -0.54 26.76 -42.40 0.07 27.29 -41.47 -2.04 26.71 -40.31 -2.56 27.55 3 0 32.59-999 ?-999 ?-999 ? CO CO B 601 mGLU~D 416 -40.42 0.08 26.23 -39.73 -0.52 25.83 -41.53 2.15 25.50 -42.05 3.18 25.93 -40.34 1.52 26.25 -39.01 2.01 25.66 2 0 30.91-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 417 -41.97 1.53 24.40 -41.46 0.70 24.15 -44.30 2.19 24.61 -45.03 3.18 24.59 -43.11 2.07 23.65 -43.47 1.13 22.48 3 0 30.50-999 ?-999 ?-999 ? CO CO B 601 mVAL~D 418 -44.45 1.19 25.47 -43.77 0.46 25.36 -45.21 2.16 27.57 -46.11 2.87 28.03 -45.51 1.15 26.47 -45.59 -0.25 27.08 3 0 28.48-999 ?-999 ?-999 ? CO CO B 601 mSER~D 419 -43.96 2.23 28.00 -43.32 1.61 27.54 -43.63 4.61 28.59 -43.31 5.52 29.35 -43.56 3.15 29.04 -42.14 2.83 29.50 2 0 26.69-999 ?-999 ?-999 ? CO CO B 601 mSER~D 420 -44.04 4.83 27.34 -44.26 4.00 26.83 -45.59 6.63 26.66 -45.87 7.80 26.38 -44.14 6.19 26.79 -43.47 6.26 25.42 2 0 25.53-999 ?-999 ?-999 ? CO CO B 601 mILE.D 421 -46.50 5.69 26.86 -46.11 4.79 27.08 -48.31 7.10 27.69 -47.83 7.22 28.82 -47.92 5.95 26.78 -48.74 4.71 27.19 3 0 23.89-999 ?-999 ?-999 ? CO CO B 601 mVAL.D 422 -49.19 7.94 27.17 -49.48 7.70 26.24 -51.17 9.31 27.52 -51.53 9.30 26.35 -49.70 9.11 27.88 -48.93 10.36 27.48 3 0 20.41-999 ?-999 ?-999 ? CO CO B 601 mPRO~D 423 -52.03 9.49 28.53 -52.96 9.62 28.19 -51.19 8.19 30.44 -51.45 7.14 29.85 -51.72 9.52 29.96 -53.06 9.86 30.59 3 0 18.03-999 ?-999 ?-999 ? CO CO B 601 mGLU~D 424 -50.42 8.26 31.53 -50.32 9.19 31.88 -50.84 6.01 32.51 -50.51 4.83 32.59 -49.81 7.09 32.15 -49.06 7.53 33.41 2 0 19.31-999 ?-999 ?-999 ? CO CO B 601 mALA~D 425 -52.10 6.41 32.70 -52.25 7.39 32.57 -53.55 4.52 31.96 -54.30 3.56 32.19 -53.14 5.47 33.08 -54.36 6.22 33.59 2 0 19.10-999 ?-999 ?-999 ? CO CO B 601 mARG~D 426 -53.07 4.80 30.75 -52.48 5.60 30.71 -52.35 2.91 29.31 -52.55 2.03 28.48 -53.40 3.97 29.60 -53.57 4.82 28.34 2 0 22.03-999 ?-999 ?-999 ? CO CO B 601 mGLN~D 427 -51.22 2.98 30.01 -51.17 3.73 30.67 -50.68 0.60 30.00 -50.38 -0.30 29.23 -50.18 2.02 29.77 -48.97 2.34 30.65 2 0 24.37-999 ?-999 ?-999 ? CO CO B 601 mASP.D 428 -51.47 0.39 31.04 -51.68 1.19 31.60 -53.38 -1.17 30.82 -54.01 -2.18 31.14 -51.94 -0.96 31.29 -51.81 -1.28 32.77 2 0 25.78-999 ?-999 ?-999 ? CO CO B 601 mASP~D 429 -53.86 -0.21 30.03 -53.21 0.52 29.85 -55.42 -1.32 28.42 -54.90 -1.22 27.31 -55.22 -0.24 29.49 -55.56 1.15 28.93 2 0 25.38-999 ?-999 ?-999 ? CO CO B 601 mTYR~D 430 -56.19 -2.34 28.77 -56.57 -2.26 29.69 -56.83 -3.13 26.44 -56.39 -3.81 25.52 -56.46 -3.46 27.88 -57.56 -4.34 28.48 3 0 28.88-999 ?-999 ?-999 ? CO CO B 601 mARG~D 431 -57.65 -2.10 26.24 -57.95 -1.62 27.06 -56.83 -1.36 24.05 -56.56 -1.98 23.02 -58.03 -1.75 24.88 -59.07 -0.62 24.88 2 0 28.96-999 ?-999 ?-999 ? CO CO B 601 mILE~D 432 -56.08 -0.35 24.49 -56.36 0.06 25.35 -53.93 -1.09 23.54 -53.07 -1.06 22.67 -54.92 0.06 23.70 -54.24 1.34 24.30 3 0 28.37-999 ?-999 ?-999 ? CO CO B 601 mALA~D 433 -54.04 -2.12 24.38 -54.77 -2.04 25.06 -53.52 -4.01 22.98 -52.68 -4.27 22.13 -53.14 -3.25 24.25 -53.24 -4.17 25.47 2 0 30.91-999 ?-999 ?-999 ? CO CO B 601 mILE~D 434 -54.80 -4.36 22.87 -55.37 -4.09 23.64 -55.10 -4.26 20.45 -54.67 -4.78 19.42 -55.32 -5.09 21.70 -56.83 -5.40 21.85 3 0 31.82-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 435 -55.40 -2.97 20.53 -55.75 -2.67 21.42 -53.75 -2.06 19.00 -53.42 -2.18 17.83 -55.22 -2.08 19.40 -55.65 -0.65 19.75 3 0 32.75-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 436 -52.87 -1.90 19.98 -53.25 -1.80 20.90 -50.98 -3.22 19.13 -50.05 -3.27 18.33 -51.46 -1.88 19.67 -50.63 -1.48 20.90 3 0 32.94-999 ?-999 ?-999 ? CO CO B 601 mTYR~D 437 -51.60 -4.32 19.55 -52.37 -4.17 20.18 -51.52 -5.89 17.63 -50.69 -6.39 16.87 -51.15 -5.61 19.07 -51.68 -6.72 19.97 3 0 35.52-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 438 -52.76 -5.59 17.24 -53.34 -5.22 17.96 -52.28 -5.01 14.95 -51.83 -5.52 13.93 -53.19 -5.81 15.86 -54.63 -5.36 15.66 3 0 36.28-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 439 -52.01 -3.77 15.30 -52.44 -3.44 16.15 -49.75 -3.55 14.41 -49.02 -3.30 13.45 -51.15 -2.97 14.46 -51.08 -1.53 14.94 3 0 37.37-999 ?-999 ?-999 ? CO CO B 601 mPHE~D 440 -49.37 -4.33 15.41 -50.04 -4.46 16.14 -47.97 -5.97 14.28 -46.91 -6.23 13.73 -48.04 -4.93 15.40 -47.71 -5.62 16.74 3 0 38.73-999 ?-999 ?-999 ? CO CO B 601 mGLN~D 441 -49.13 -6.54 13.95 -49.92 -6.23 14.48 -49.58 -6.89 11.58 -48.76 -6.78 10.68 -49.20 -7.55 12.90 -50.24 -8.61 13.27 2 0 39.78-999 ?-999 ?-999 ? CL CL D 584 mARG~D 442 -50.82 -6.42 11.49 -51.37 -6.56 12.32 -50.74 -4.38 10.08 -50.39 -3.70 11.05 -51.31 -5.78 10.28 -52.83 -5.68 10.34 2 0 41.22-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 443 -50.62 -3.92 8.82 -50.92 -4.56 8.12 -51.09 -1.48 8.85 -50.72 -0.34 9.14 -50.08 -2.59 8.54 -49.75 -2.66 7.05 3 0 41.81-999 ?-999 ?-999 ? CO CO B 601 mPHE.D 444 -52.37 -1.82 8.77 -52.53 -2.77 8.50 -54.54 -1.65 9.77 -54.71 -2.87 9.57 -53.43 -0.88 9.06 -53.99 -0.26 7.78 3 0 39.91-999 ?-999 ?-999 ? CO CO B 601 mILE.D 445 -55.31 -0.93 10.58 -55.08 0.04 10.63 -57.72 -0.91 10.99 -57.80 0.28 10.66 -56.39 -1.56 11.31 -56.13 -1.49 12.84 3 0 38.29-999 ?-999 ?-999 ? CO CO B 601 mTHR~D 446 -58.78 -1.70 11.08 -58.58 -2.64 11.36 -61.06 -1.55 11.90 -60.85 -2.51 12.66 -60.10 -1.21 10.78 -60.62 -1.80 9.45 2 0 38.54-999 ?-999 ?-999 ? CO CO B 601 mILE~D 447 -62.12 -0.76 12.00 -62.16 -0.05 11.30 -63.63 -2.36 13.19 -63.82 -2.84 14.30 -63.13 -0.93 13.04 -64.29 0.03 12.77 3 0 36.90-999 ?-999 ?-999 ? CO CO B 601 mASP~D 448 -63.84 -3.04 12.06 -63.64 -2.52 11.23 -63.19 -5.32 12.60 -63.45 -6.33 13.25 -64.30 -4.42 12.08 -64.70 -4.85 10.66 2 0 35.40-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 449 -61.94 -4.96 12.32 -61.84 -4.11 11.79 -60.64 -5.61 14.28 -60.34 -6.58 14.98 -60.82 -5.77 12.79 -59.49 -5.39 12.14 3 0 35.13-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 450 -60.80 -4.39 14.76 -61.03 -3.69 14.08 -61.76 -4.88 16.92 -61.53 -5.41 18.00 -60.66 -4.11 16.18 -60.81 -2.61 16.49 3 0 33.56-999 ?-999 ?-999 ? CL CL D 584 mALA~D 451 -62.94 -4.93 16.33 -63.00 -4.46 15.45 -63.68 -7.12 17.10 -63.76 -7.67 18.20 -64.05 -5.65 16.94 -65.30 -5.51 16.11 2 0 30.99-999 ?-999 ?-999 ? CL CL D 584 mARG~D 452 -63.29 -7.77 16.02 -63.26 -7.23 15.17 -61.80 -9.39 17.12 -61.67 -10.47 17.68 -62.92 -9.17 16.11 -62.49 -9.70 14.75 2 0 30.07-999 ?-999 ?-999 ? CL CL D 584 mGLY~D 453 -60.98 -8.36 17.34 -61.19 -7.53 16.82 -60.35 -8.55 19.73 -59.88 -9.36 20.52 -59.88 -8.48 18.29-999.99-999.99-999.99 1 0 29.91-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 454 -61.29 -7.67 20.07 -61.57 -7.06 19.32 -62.82 -8.77 21.50 -63.18 -9.21 22.60 -61.86 -7.61 21.40 -62.63 -6.30 21.57 3 0 27.34-999 ?-999 ?-999 ? CL CL D 584 mGLN~D 455 -63.23 -9.26 20.34 -62.84 -8.81 19.54 -65.52 -9.83 20.70 -66.41 -10.59 21.08 -64.18 -10.36 20.26 -63.74 -11.51 21.16 2 0 25.76-999 ?-999 ?-999 ? CL CL D 584 mSER.D 456 -65.66 -8.51 20.63 -64.86 -8.01 20.31 -67.59 -7.25 19.80 -67.24 -7.57 18.66 -66.90 -7.86 21.01 -66.65 -6.76 22.04 2 0 25.85-999 ?-999 ?-999 ? CL CL D 584 mGLY~D 457 -68.56 -6.38 20.06 -68.72 -6.22 21.03 -68.63 -4.51 18.42 -67.48 -4.20 18.72 -69.30 -5.74 19.00-999.99-999.99-999.99 1 0 28.28-999 ?-999 ?-999 ? CL CL D 584 mLYS~D 458 -69.36 -3.80 17.57 -70.28 -4.15 17.41 -68.67 -1.49 17.95 -67.68 -0.75 17.94 -68.83 -2.60 16.93 -69.76 -2.13 15.81 2 0 30.80-999 ?-999 ?-999 ? CO CO D 601 mGLU~D 459 -69.64 -1.38 18.84 -70.36 -2.07 18.75 -68.37 -0.36 20.70 -67.73 0.68 20.88 -69.64 -0.35 19.86 -70.87 -0.51 20.75 2 0 27.72-999 ?-999 ?-999 ? CO CO D 601 mALA~D 460 -68.00 -1.52 21.21 -68.61 -2.29 21.00 -65.58 -1.30 21.12 -64.64 -0.64 21.57 -66.79 -1.63 22.00 -66.65 -3.03 22.56 2 0 28.36-999 ?-999 ?-999 ? CO CO D 601 mALA~D 461 -65.61 -1.75 19.87 -66.44 -2.26 19.64 -64.28 -0.04 18.71 -63.14 0.44 18.74 -64.51 -1.52 18.93 -64.82 -2.20 17.61 2 0 32.05-999 ?-999 ?-999 ? CO CO D 601 mARG~D 462 -65.36 0.68 18.46 -66.21 0.15 18.45 -64.70 2.74 19.48 -63.86 3.65 19.41 -65.30 2.11 18.23 -66.71 2.64 17.98 2 0 31.48-999 ?-999 ?-999 ? CO CO B 601 mASN~D 463 -65.12 2.25 20.64 -65.79 1.51 20.55 -63.11 2.52 22.00 -62.36 3.44 22.30 -64.63 2.74 21.92 -65.34 2.02 23.08 2 0 28.26-999 ?-999 ?-999 ? CO CO B 601 mALA~D 464 -62.67 1.29 21.73 -63.37 0.63 21.49 -60.49 1.97 20.89 -59.55 2.63 21.33 -61.25 0.99 21.79 -61.00 -0.44 21.35 2 0 28.99-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 465 -60.92 2.10 19.64 -61.71 1.53 19.41 -60.19 4.43 19.27 -59.16 5.10 19.13 -60.26 3.01 18.72 -60.99 3.02 17.37 3 0 29.73-999 ?-999 ?-999 ? CO CO B 601 mGLU~D 466 -61.27 4.88 19.89 -62.03 4.23 19.93 -60.20 6.39 21.50 -59.45 7.37 21.48 -61.30 6.22 20.47 -62.65 6.49 21.12 2 0 26.49-999 ?-999 ?-999 ? CO CO B 601 mALA~D 467 -60.12 5.43 22.42 -60.79 4.70 22.31 -57.73 5.52 22.88 -56.93 6.39 23.22 -59.13 5.45 23.48 -59.27 4.22 24.33 2 0 24.47-999 ?-999 ?-999 ? CO CO B 601 mALA~D 468 -57.45 4.58 21.99 -58.20 3.94 21.81 -55.88 5.80 20.57 -54.76 6.32 20.63 -56.16 4.49 21.32 -56.15 3.32 20.35 2 0 26.74-999 ?-999 ?-999 ? CO CO B 601 mARG~D 469 -56.88 6.31 19.87 -57.73 5.79 19.92 -56.24 8.70 19.99 -55.38 9.49 19.60 -56.72 7.55 19.11 -58.04 7.95 18.46 2 0 26.64-999 ?-999 ?-999 ? CO CO B 601 mGLN~D 470 -56.81 8.79 21.19 -57.48 8.07 21.38 -55.21 9.56 22.94 -54.69 10.44 23.63 -56.47 9.84 22.14 -57.64 10.07 23.09 2 0 22.87-999 ?-999 ?-999 ? CO CO B 601 mTHR~D 471 -54.73 8.32 22.87 -55.27 7.69 22.31 -52.38 8.58 22.80 -52.50 8.78 21.59 -53.52 7.95 23.58 -53.29 6.44 23.58 2 0 23.15-999 ?-999 ?-999 ? CO CO B 601 mTHR^D 472 -51.28 8.87 23.47 -51.28 8.62 24.44 -48.78 9.16 23.32 -48.56 9.07 24.53 -50.17 9.51 22.79 -50.33 11.03 22.84 2 0 23.73-999 ?-999 ?-999 ? CO CO B 601 mVAL^D 473 -47.85 8.97 22.39 -48.18 9.06 21.45 -45.55 9.53 21.88 -45.85 9.84 20.73 -46.47 8.65 22.72 -46.12 7.16 22.45 3 0 25.66-999 ?-999 ?-999 ? CO CO B 601 mALA.D 474 -44.43 9.93 22.47 -44.31 9.61 23.41 -44.10 12.12 21.38 -43.53 12.87 20.59 -43.48 10.78 21.78 -42.94 10.08 20.54 2 0 26.81-999 ?-999 ?-999 ? CO CO B 601 mGLY.D 475 -45.28 12.41 21.93 -45.65 11.72 22.55 -46.91 13.63 20.45 -47.39 14.68 20.01 -45.94 13.67 21.62-999.99-999.99-999.99 1 0 24.58-999 ?-999 ?-999 ? CO CO B 601 mALA^D 476 -47.19 12.43 19.96 -46.72 11.68 20.43 -49.11 11.11 19.14 -48.82 10.21 19.93 -48.11 12.22 18.83 -47.33 11.86 17.57 2 0 26.50-999 ?-999 ?-999 ? CO CO B 601 mPRO^D 477 -50.29 11.15 18.50 -50.40 11.92 17.87 -50.83 8.73 18.38 -50.18 8.52 17.36 -51.31 10.13 18.73 -52.48 10.60 17.86 3 0 26.46-999 ?-999 ?-999 ? CO CO B 601 mLEU.D 478 -51.15 7.77 19.25 -51.67 8.09 20.04 -51.04 5.94 17.63 -50.16 5.43 16.94 -50.77 6.38 19.06 -51.56 5.48 20.00 3 0 28.21-999 ?-999 ?-999 ? CO CO B 601 mILE^D 479 -52.28 6.13 17.19 -52.92 6.53 17.84 -53.07 7.00 15.07 -53.48 8.00 15.66 -52.63 5.75 15.84 -53.72 4.67 15.85 3 0 30.78-999 ?-999 ?-999 ? CO CO B 601 mILE^D 480 -52.94 6.96 13.75 -52.56 6.10 13.40 -54.32 7.53 11.87 -54.34 6.33 11.59 -53.32 8.07 12.89 -52.05 8.69 12.19 3 0 32.10-999 ?-999 ?-999 ? CO CO B 601 mALA^D 481 -55.18 8.40 11.35 -55.07 9.34 11.68 -55.72 8.21 8.94 -54.88 9.07 8.68 -56.19 8.00 10.38 -57.49 8.77 10.62 2 0 34.14-999 ?-999 ?-999 ? CO CO B 601 mHIS^D 482 -56.26 7.42 8.02 -56.93 6.78 8.40 -57.11 6.96 5.80 -57.47 5.79 5.92 -55.92 7.49 6.60 -54.69 6.62 6.33 3 0 37.82-999 ?-999 ?-999 ? CO CO B 601 mASP.D 483 -57.73 7.82 4.99 -57.32 8.73 4.95 -59.94 6.89 5.23 -60.52 7.67 5.98 -58.91 7.41 4.22 -58.58 6.29 3.21 2 0 40.02-999 ?-999 ?-999 ? CO CO B 601 mGLY.D 484 -60.14 5.58 5.25 -59.60 5.05 4.59 -60.49 3.92 7.06 -61.17 2.98 7.49 -61.10 4.99 6.17-999.99-999.99-999.99 1 0 39.32-999 ?-999 ?-999 ? CO CO B 601 mVAL^D 485 -59.19 4.05 7.32 -58.77 4.86 6.90 -57.59 3.79 9.15 -57.33 4.99 9.05 -58.49 3.08 8.15 -57.60 2.16 7.32 3 0 38.32-999 ?-999 ?-999 ? CO CO B 601 mTRP^D 486 -57.12 3.05 10.14 -57.43 2.09 10.13 -54.94 2.82 11.05 -54.95 1.61 10.81 -56.23 3.59 11.13 -56.86 3.45 12.51 3 0 35.52-999 ?-999 ?-999 ? CO CO B 601 mLEU^D 487 -53.82 3.51 11.21 -53.95 4.49 11.35 -51.55 3.38 12.19 -51.57 4.57 12.49 -52.53 2.82 11.17 -51.92 2.88 9.76 3 0 36.24-999 ?-999 ?-999 ? CO CO B 601 mLEU^D 488 -50.71 2.51 12.73 -50.81 1.58 12.38 -49.04 4.22 13.42 -48.57 4.43 12.30 -49.74 2.89 13.73 -48.70 1.78 13.90 3 0 34.63-999 ?-999 ?-999 ? CO CO B 601 mGLY~D 489 -48.97 5.12 14.40 -49.39 4.83 15.27 -46.84 6.24 13.96 -46.25 5.26 14.43 -48.33 6.41 14.20-999.99-999.99-999.99 1 0 32.81-999 ?-999 ?-999 ? CO CO B 601 mASN~D 490 -46.23 7.19 13.25 -46.83 7.93 12.95 -43.92 7.17 14.19 -42.78 6.71 14.18 -44.79 7.11 12.94 -44.37 8.22 11.97 2 0 34.71-999 ?-999 ?-999 ? CO CO B 601 mALA~D 491 -44.48 7.74 15.24 -45.41 8.07 15.09 -43.43 6.45 17.02 -42.27 6.16 17.31 -43.78 7.85 16.51 -44.68 8.57 17.52 2 0 31.93-999 ?-999 ?-999 ? CO CO B 601 mCYH~D 492 -44.43 5.59 17.13 -45.32 5.95 16.84 -43.44 3.40 16.62 -42.60 2.59 17.00 -44.23 4.22 17.61 -45.58 3.55 17.84 2 0 32.70-999 ?-999 ?-999 ? CO CO B 601 mARG~D 493 -43.72 3.61 15.34 -44.44 4.28 15.17 -41.51 2.97 14.52 -40.81 1.96 14.39 -43.02 2.89 14.30 -43.39 3.46 12.94 2 0 36.36-999 ?-999 ?-999 ? CO CO B 601 mGLU~D 494 -41.00 4.15 14.86 -41.68 4.88 14.94 -39.05 3.54 16.27 -37.92 3.05 16.26 -39.56 4.33 15.08 -39.23 5.82 15.29 2 0 36.62-999 ?-999 ?-999 ? CO CO B 601 mILE~D 495 -39.88 3.41 17.30 -40.77 3.86 17.19 -39.54 1.18 18.19 -38.62 0.45 18.54 -39.49 2.67 18.48 -40.41 2.95 19.68 3 0 35.18-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 496 -40.61 0.74 17.54 -41.29 1.45 17.31 -39.83 -1.13 16.11 -39.91 -2.28 15.67 -40.76 -0.67 17.22 -42.21 -0.99 16.83 3 0 37.31-999 ?-999 ?-999 ? CO CO B 601 mARG.D 497 -38.94 -0.26 15.65 -38.97 0.65 16.06 -36.78 -1.33 15.22 -36.26 -2.30 14.67 -38.00 -0.66 14.60 -37.57 0.55 13.76 2 0 40.34-999 ?-999 ?-999 ? CO CO B 601 mLYS.D 498 -36.34 -0.84 16.38 -36.87 -0.06 16.72 -35.32 -2.90 17.35 -34.36 -3.56 17.75 -35.17 -1.40 17.07 -34.92 -0.68 18.41 2 0 40.68-999 ?-999 ?-999 ? CO CO B 601 mVAL.D 499 -36.53 -3.42 17.16 -37.23 -2.78 16.85 -35.99 -5.63 16.35 -35.86 -5.20 15.21 -36.78 -4.84 17.38 -38.27 -5.18 17.23 3 0 41.74-999 ?-999 ?-999 ? CO CO B 601 mGLU.D 500 -35.47 -6.77 16.76 -35.66 -7.00 17.72 -35.64 -8.42 14.99 -36.45 -9.21 15.48 -34.69 -7.62 15.87 -33.81 -8.55 16.69 2 0 45.45-999 ?-999 ?-999 ? CO CO B 601 mPRO.D 501 -35.54 -8.24 13.65 -34.84 -7.59 13.38 -36.40 -10.47 12.88 -35.35 -11.12 12.78 -36.40 -8.95 12.69 -35.83 -8.51 11.34 3 0 47.37-999 ?-999 ?-999 ? CO CO B 601 mSER.D 502 -37.57 -11.02 13.15 -38.33 -10.36 13.19 -39.23 -12.78 13.24 -40.05 -11.88 13.10 -37.74 -12.45 13.36 -37.24 -12.83 14.75 2 0 45.77-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 503 -39.60 -14.07 13.28 -38.86 -14.74 13.38 -41.77 -13.87 14.39 -41.18 -13.78 15.47 -41.03 -14.41 13.17 -41.01 -15.93 13.12 3 0 42.94-999 ?-999 ?-999 ? CL CL D 584 mPHE.D 504 -43.04 -13.51 14.22 -43.38 -13.64 13.29 -43.45 -11.50 15.62 -44.25 -10.74 16.16 -43.84 -12.96 15.32 -43.69 -13.85 16.57 3 0 39.87-999 ?-999 ?-999 ? CL CL D 584 mSER.D 505 -42.23 -11.11 15.24 -41.70 -11.83 14.79 -42.73 -8.69 15.04 -43.47 -8.86 14.07 -41.73 -9.76 15.47 -40.41 -9.54 14.73 2 0 42.31-999 ?-999 ?-999 ? CL CL D 584 mPRO.D 506 -42.75 -7.55 15.76 -42.09 -7.54 16.51 -43.35 -5.67 14.20 -42.26 -5.80 13.64 -43.66 -6.44 15.48 -43.55 -5.59 16.73 3 0 41.04-999 ?-999 ?-999 ? CO CO B 601 mVAL.D 507 -44.31 -4.86 13.76 -45.13 -4.87 14.33 -43.28 -4.64 11.48 -42.39 -3.97 10.95 -44.19 -4.04 12.55 -43.67 -2.62 12.89 3 0 41.22-999 ?-999 ?-999 ? CO CO B 601 mARG.D 508 -43.53 -5.91 11.18 -44.28 -6.31 11.69 -43.09 -6.16 8.75 -42.58 -6.70 7.78 -42.75 -6.63 10.17 -43.03 -8.14 10.30 2 0 45.01-999 ?-999 ?-999 ? CO CO B 601 mTYR.D 509 -43.94 -5.14 8.65 -44.26 -4.78 9.52 -43.68 -3.32 6.96 -43.96 -2.77 5.89 -44.36 -4.63 7.35 -45.88 -4.43 7.33 3 0 45.31-999 ?-999 ?-999 ? CO CO B 601 mLEU.D 510 -42.80 -2.83 7.81 -42.67 -3.38 8.64 -40.79 -1.87 6.76 -39.78 -1.19 6.95 -42.08 -1.59 7.53 -41.77 -0.86 8.85 3 0 44.22-999 ?-999 ?-999 ? CO CO B 601 mSER.D 511 -40.84 -2.87 5.89 -41.73 -3.32 5.83 -39.77 -2.73 3.66 -40.83 -2.31 3.19 -39.68 -3.25 5.09 -39.53 -4.78 5.05 2 0 47.85-999 ?-999 ?-999 ? CO CO B 601 mTHR.D 512 -38.63 -2.77 2.98 -37.86 -3.13 3.50 -38.69 -3.53 0.68 -38.82 -3.41 -0.54 -38.54 -2.32 1.60 -37.17 -1.60 1.37 2 0 50.52-999 ?-999 ?-999 ? CO CO B 601 mASP~D 513 -38.71 -4.71 1.30 -38.60 -4.65 2.29 -40.19 -6.01 -0.18 -41.26 -5.79 0.40 -38.87 -5.98 0.59 -38.79 -7.14 1.59 2 0 53.03-999 ?-999 ?-999 ? CO CO B 601 mGLN~D 514 -40.11 -6.29 -1.48 -39.18 -6.46 -1.81 -42.31 -7.38 -1.88 -43.49 -7.32 -2.25 -41.30 -6.34 -2.34 -40.90 -6.59 -3.80 2 0 54.72-999 ?-999 ?-999 ? CO CO B 601 mALA~D 515 -41.86 -8.35 -1.09 -40.89 -8.28 -0.87 -43.73 -8.80 0.42 -44.93 -9.04 0.33 -42.74 -9.40 -0.58 -41.92 -10.49 0.09 2 0 52.85-999 ?-999 ?-999 ? CL CL D 584 mGLU~D 516 -43.21 -8.02 1.36 -42.22 -7.92 1.32 -44.89 -6.29 1.73 -46.08 -6.17 2.00 -44.05 -7.39 2.36 -43.20 -6.81 3.49 2 0 50.46-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 517 -44.25 -5.49 0.88 -43.28 -5.69 0.77 -46.16 -4.94 -0.53 -47.23 -4.34 -0.49 -44.93 -4.40 0.20 -43.98 -3.72 -0.78 3 0 50.65-999 ?-999 ?-999 ? CO CO B 601 mTHR~D 518 -46.00 -6.09 -1.20 -45.08 -6.47 -1.14 -48.19 -7.25 -1.03 -49.38 -7.10 -1.32 -47.09 -6.71 -1.96 -46.56 -7.86 -2.84 2 0 52.43-999 ?-999 ?-999 ? CL CL D 584 mASN~D 519 -47.76 -7.88 0.06 -46.77 -7.92 0.15 -49.50 -7.34 1.73 -50.68 -7.52 2.00 -48.69 -8.44 1.05 -47.91 -9.24 2.09 2 0 48.66-999 ?-999 ?-999 ? CL CL D 584 mALA~D 520 -48.85 -6.22 2.00 -47.88 -6.22 1.74 -50.46 -4.44 1.65 -51.54 -4.00 2.02 -49.49 -5.08 2.64 -48.45 -4.07 3.09 2 0 48.06-999 ?-999 ?-999 ? CO CO B 601 mALA~D 521 -50.04 -4.39 0.38 -49.14 -4.79 0.24 -52.10 -4.65 -0.88 -53.22 -4.14 -0.91 -50.85 -3.82 -0.69 -50.06 -3.77 -1.97 2 0 49.92-999 ?-999 ?-999 ? CO CO B 601 mMETD 522 -51.88 -5.95 -1.03 -50.92 -6.22 -0.98 -54.01 -6.79 -0.11 -55.21 -6.78 -0.37 -52.97 -6.89 -1.23 -52.41 -8.31 -1.30 2 0 49.12-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 523 -53.54 -6.72 1.13 -52.54 -6.74 1.20 -55.37 -5.43 2.15 -56.52 -5.48 2.57 -54.43 -6.62 2.28 -53.61 -6.51 3.57 3 0 45.69-999 ?-999 ?-999 ? CL CL D 584 mTRP~D 524 -54.87 -4.35 1.55 -53.92 -4.43 1.25 -56.74 -3.44 0.30 -57.92 -3.17 0.49 -55.69 -3.16 1.37 -54.82 -1.98 0.95 3 0 47.38-999 ?-999 ?-999 ? CL CL D 584 mLEU~D 525 -56.28 -3.97 -0.83 -55.29 -4.13 -0.83 -58.25 -5.28 -1.55 -59.41 -5.13 -1.94 -57.15 -4.30 -1.96 -56.32 -4.90 -3.10 3 0 49.20-999 ?-999 ?-999 ? CL CL D 584 mSER~D 526 -57.87 -6.27 -0.75 -56.90 -6.27 -0.50 -59.78 -6.78 0.81 -60.92 -7.25 0.87 -58.82 -7.27 -0.29 -58.07 -8.53 0.17 2 0 46.08-999 ?-999 ?-999 ? CL CL D 584 mGLU~D 527 -59.35 -5.84 1.64 -58.41 -5.53 1.48 -60.86 -3.97 2.44 -62.08 -3.85 2.49 -60.21 -5.33 2.71 -59.46 -5.28 4.04 2 0 43.83-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 528 -60.04 -2.95 2.17 -59.07 -3.19 2.17 -61.25 -1.50 0.56 -62.48 -1.40 0.49 -60.56 -1.61 1.91 -59.42 -0.55 1.93 3 0 46.11-999 ?-999 ?-999 ? CL CL D 584 mGLY.D 529 -60.45 -1.51 -0.50 -59.48 -1.60 -0.29 -59.93 -0.95 -2.84 -58.90 -1.61 -3.02 -60.99 -1.41 -1.85-999.99-999.99-999.99 1 0 49.26-999 ?-999 ?-999 ? CL CL D 584 mASP.D 530 -60.17 0.19 -3.49 -61.04 0.62 -3.26 -57.98 1.25 -3.75 -58.04 2.22 -2.98 -59.22 0.72 -4.45 -59.88 1.82 -5.30 2 0 50.64-999 ?-999 ?-999 ? CO CO B 601 mLEU^D 531 -56.84 0.61 -4.03 -56.96 -0.15 -4.67 -54.85 2.07 -4.24 -54.62 1.92 -5.44 -55.54 0.97 -3.45 -54.62 -0.27 -3.38 3 0 49.65-999 ?-999 ?-999 ? CO CO B 601 mALA^D 532 -54.51 3.16 -3.57 -54.78 3.16 -2.60 -52.34 4.03 -4.01 -51.94 3.42 -3.02 -53.82 4.26 -4.22 -54.23 5.59 -3.62 2 0 49.18-999 ?-999 ?-999 ? CO CO B 601 mTHR~D 533 -51.52 4.50 -4.94 -51.97 4.97 -5.70 -49.57 5.00 -3.55 -48.49 4.68 -3.06 -50.09 4.32 -4.82 -49.38 4.88 -6.06 2 0 50.15-999 ?-999 ?-999 ? CO CO B 601 mSER~D 534 -50.35 5.94 -3.02 -51.21 6.09 -3.52 -50.22 5.88 -0.52 -49.45 5.97 0.43 -49.98 6.67 -1.80 -50.73 8.02 -1.74 2 0 46.57-999 ?-999 ?-999 ? CO CO B 601 mASP~D 535 -51.30 5.09 -0.51 -51.84 5.12 -1.35 -50.55 3.31 0.99 -50.27 3.05 2.16 -51.66 4.29 0.65 -52.95 3.51 0.38 2 0 44.92-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 536 -49.91 2.76 -0.04 -50.23 3.05 -0.94 -47.69 2.54 0.88 -46.97 1.95 1.68 -48.83 1.81 0.19 -48.37 1.22 -1.15 3 0 46.82-999 ?-999 ?-999 ? CO CO B 601 mMETD 537 -47.54 3.82 0.57 -48.20 4.18 -0.08 -46.73 4.86 2.66 -45.80 4.99 3.45 -46.47 4.61 1.18 -46.33 5.96 0.47 2 0 45.33-999 ?-999 ?-999 ? CO CO B 601 mALA~D 538 -48.01 4.93 3.03 -48.66 4.81 2.28 -48.27 3.92 5.26 -47.76 3.97 6.38 -48.40 5.18 4.41 -49.83 5.70 4.46 2 0 41.77-999 ?-999 ?-999 ? CO CO B 601 mMETD 539 -48.74 2.80 4.74 -49.13 2.89 3.82 -47.27 1.12 5.80 -46.90 0.99 6.96 -48.68 1.54 5.47 -49.35 0.44 4.67 2 0 42.40-999 ?-999 ?-999 ? CO CO B 601 mCYH~D 540 -46.48 0.89 4.76 -46.91 1.06 3.87 -44.10 1.59 5.07 -42.91 1.35 5.27 -45.10 0.44 4.92 -44.72 -0.43 3.72 2 0 44.30-999 ?-999 ?-999 ? CO CO B 601 mGLY.D 541 -44.58 2.82 4.98 -45.57 2.88 4.81 -42.49 3.87 4.23 -41.38 3.72 4.72 -43.72 3.97 5.12-999.99-999.99-999.99 1 0 42.95-999 ?-999 ?-999 ? CO CO B 601 mVAL.D 542 -42.71 3.94 2.92 -43.68 4.06 2.68 -41.68 4.97 0.91 -42.60 5.79 0.89 -41.64 3.84 1.94 -41.70 2.48 1.20 3 0 46.41-999 ?-999 ?-999 ? CO CO B 601 mSER~D 543 -40.66 4.99 0.04 -40.00 4.26 0.18 -41.48 5.70 -2.17 -41.79 4.54 -2.45 -40.55 6.01 -1.01 -39.10 6.06 -1.52 2 0 48.56-999 ?-999 ?-999 ? CO CO B 601 mARG~D 544 -41.94 6.75 -2.86 -41.62 7.64 -2.52 -42.18 5.64 -5.02 -42.86 4.85 -5.67 -42.82 6.59 -4.01 -43.10 7.94 -4.68 2 0 50.31-999 ?-999 ?-999 ? CO CO B 601 mGLY~D 545 -40.86 5.73 -5.14 -40.42 6.41 -4.55 -40.36 3.42 -5.74 -40.83 2.64 -6.58 -40.14 4.88 -6.07-999.99-999.99-999.99 1 0 53.53-999 ?-999 ?-999 ? CO CO B 601 mTHR~D 546 -40.03 3.05 -4.50 -39.67 3.79 -3.94 -41.65 1.28 -3.86 -41.99 0.10 -3.87 -40.17 1.67 -4.03 -39.41 1.47 -2.69 2 0 52.86-999 ?-999 ?-999 ? CO CO B 601 mALA~D 547 -42.51 2.29 -3.73 -42.09 3.20 -3.76 -44.59 1.76 -4.93 -45.19 0.70 -5.12 -43.93 2.05 -3.58 -44.59 3.25 -2.91 2 0 51.19-999 ?-999 ?-999 ? CO CO B 601 mLYS~D 548 -44.49 2.72 -5.85 -43.98 3.52 -5.54 -44.49 1.35 -7.88 -45.12 0.76 -8.77 -45.07 2.58 -7.19 -44.78 3.84 -8.02 2 0 53.92-999 ?-999 ?-999 ? CO CO B 601 mALA~D 549 -43.28 0.97 -7.47 -42.89 1.55 -6.76 -43.45 -1.43 -7.72 -43.88 -2.13 -8.64 -42.61 -0.19 -8.03 -41.22 -0.33 -7.43 2 0 56.33-999 ?-999 ?-999 ? CO CO B 601 mCYH~D 550 -43.69 -1.69 -6.44 -43.27 -1.04 -5.80 -45.86 -2.87 -6.71 -46.37 -3.93 -7.07 -44.49 -2.85 -6.03 -44.67 -2.85 -4.51 2 0 55.24-999 ?-999 ?-999 ? CO CO B 601 mVAL~D 551 -46.45 -1.69 -6.88 -45.92 -0.92 -6.54 -47.69 -2.14 -8.93 -48.55 -2.93 -9.33 -47.76 -1.58 -7.52 -48.21 -0.10 -7.59 3 0 55.29-999 ?-999 ?-999 ? CO CO B 601 mASP~D 552 -46.68 -1.72 -9.69 -46.07 -1.07 -9.23 -46.49 -3.72 -11.11 -47.11 -4.32 -11.98 -46.49 -2.19 -11.06 -45.18 -1.64 -11.63 2 0 58.93-999 ?-999 ?-999 ? CO CO B 601 mGLY~D 553 -45.79 -4.35 -10.16 -45.33 -3.75 -9.51 -47.10 -6.46 -10.08 -47.33 -7.46 -10.76 -45.73 -5.80 -10.13-999.99-999.99-999.99 1 0 59.84-999 ?-999 ?-999 ? CO CO B 601 mLEU~D 554 -48.01 -5.91 -9.27 -47.69 -5.11 -8.77 -50.17 -6.26 -10.42 -51.20 -6.90 -10.61 -49.35 -6.48 -9.16 -50.11 -5.86 -7.98 3 0 57.49-999 ?-999 ?-999 ? CL CL D 584 mVAL~D 555 -49.71 -5.36 -11.28 -48.87 -4.90 -11.00 -49.97 -6.07 -13.59 -50.77 -6.55 -14.38 -50.43 -5.09 -12.52 -50.19 -3.64 -13.02 3 0 60.41-999 ?-999 ?-999 ? CL CL D 584 mASP~D 556 -48.67 -6.36 -13.60 -48.13 -5.89 -12.89 -48.58 -8.71 -14.34 -48.82 -9.45 -15.30 -48.09 -7.28 -14.57 -46.56 -7.25 -14.52 2 0 62.47-999 ?-999 ?-999 ? CL CL D 584 mGLU~D 557 -48.71 -9.10 -13.07 -48.46 -8.40 -12.40 -50.69 -10.52 -12.89 -51.29 -11.57 -12.65 -49.18 -10.44 -12.73 -48.82 -10.78 -11.28 2 0 59.63-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 558 -51.30 -9.41 -13.30 -50.66 -8.65 -13.45 -53.57 -9.48 -12.22 -54.66 -10.06 -12.24 -52.74 -9.30 -13.50 -53.22 -10.30 -14.56 2 0 59.28-999 ?-999 ?-999 ? CL CL D 584 mARG.D 559 -53.04 -8.96 -11.12 -52.15 -8.54 -11.26 -54.62 -7.78 -9.72 -55.78 -7.87 -9.31 -53.71 -9.01 -9.82 -52.69 -8.96 -8.69 2 0 55.70-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 560 -54.06 -6.64 -10.11 -53.11 -6.73 -10.41 -54.79 -4.71 -11.47 -53.88 -4.92 -12.28 -54.77 -5.37 -10.09 -54.12 -4.39 -9.07 3 0 56.68-999 ?-999 ?-999 ? CL CL D 584 mVAL^D 561 -55.83 -3.93 -11.75 -56.50 -3.87 -11.00 -56.05 -1.73 -12.83 -56.86 -1.24 -12.03 -55.96 -3.24 -13.03 -57.23 -3.73 -13.81 3 0 59.66-999 ?-999 ?-999 ? CL CL D 584 mALA^D 562 -55.22 -0.99 -13.55 -54.62 -1.52 -14.15 -56.59 1.05 -13.70 -57.29 0.65 -14.63 -55.20 0.47 -13.45 -54.20 1.04 -14.44 2 0 59.05-999 ?-999 ?-999 ? CO CO B 601 mVAL^D 563 -56.99 2.00 -12.86 -56.32 2.22 -12.14 -58.17 4.13 -12.63 -57.29 4.53 -11.87 -58.28 2.65 -12.99 -59.34 1.98 -12.07 3 0 57.80-999 ?-999 ?-999 ? CO CO B 601 mGLY.D 564 -59.05 4.95 -13.20 -59.71 4.52 -13.81 -57.86 7.09 -13.60 -56.78 6.52 -13.76 -59.02 6.38 -12.92-999.99-999.99-999.99 1 0 56.60-999 ?-999 ?-999 ? CO CO B 601 mGLY.D 565 -58.09 8.34 -13.99 -59.01 8.68 -13.79 -56.63 10.35 -13.90 -57.43 10.97 -13.21 -57.06 9.11 -14.66-999.99-999.99-999.99 1 0 57.61-999 ?-999 ?-999 ? CO CO B 601 mGLY.D 566 -55.35 10.69 -14.05 -54.82 10.09 -14.64 -54.33 11.57 -11.96 -53.81 10.49 -11.68 -54.81 11.85 -13.37-999.99-999.99-999.99 1 0 55.86-999 ?-999 ?-999 ? CO CO B 601 mARG.D 567 -54.52 12.55 -11.08 -54.96 13.35 -11.48 -54.92 11.37 -8.93 -54.48 10.88 -7.89 -54.12 12.46 -9.68 -54.33 13.82 -9.00 2 0 52.16-999 ?-999 ?-999 ? CO CO B 601 mSER.D 568 -56.08 11.02 -9.48 -56.30 11.51 -10.32 -56.75 8.65 -9.60 -57.72 8.05 -10.08 -56.94 9.99 -8.89 -58.41 10.43 -8.96 2 0 51.78-999 ?-999 ?-999 ? CO CO B 601 mARG.D 569 -55.51 8.18 -9.66 -54.83 8.78 -9.23 -55.12 5.80 -9.24 -54.09 5.56 -8.61 -55.17 6.91 -10.28 -53.80 7.01 -10.98 2 0 53.98-999 ?-999 ?-999 ? CO CO B 601 mARG^D 570 -56.26 5.13 -9.04 -57.01 5.44 -9.62 -56.07 2.69 -8.75 -55.82 2.63 -9.95 -56.37 4.03 -8.07 -57.79 4.02 -7.48 2 0 52.72-999 ?-999 ?-999 ? CO CO B 601 mTYR^D 571 -56.09 1.60 -7.98 -56.29 1.78 -7.02 -56.74 -0.75 -7.89 -56.69 -0.96 -6.68 -55.83 0.28 -8.54 -54.37 -0.12 -8.31 3 0 54.56-999 ?-999 ?-999 ? CO CO B 601 mARG^D 572 -57.59 -1.39 -8.70 -57.53 -1.12 -9.66 -58.10 -3.77 -8.63 -57.64 -3.95 -9.75 -58.51 -2.39 -8.17 -59.94 -2.10 -8.63 2 0 54.97-999 ?-999 ?-999 ? CL CL D 584 mLEU^D 573 -58.27 -4.74 -7.74 -58.66 -4.45 -6.87 -59.01 -6.84 -8.83 -60.14 -6.36 -8.96 -57.92 -6.11 -8.07 -57.57 -6.88 -6.79 3 0 53.68-999 ?-999 ?-999 ? CL CL D 584 mVAL.D 574 -58.65 -8.01 -9.35 -57.70 -8.26 -9.18 -60.06 -9.99 -9.22 -59.27 -10.65 -8.53 -59.58 -8.84 -10.09 -58.92 -9.41 -11.38 3 0 54.26-999 ?-999 ?-999 ? CL CL D 584 mGLU.D 575 -61.37 -10.23 -9.23 -61.89 -9.60 -9.82 -61.14 -12.58 -8.57 -60.78 -13.20 -7.58 -61.97 -11.30 -8.45 -63.40 -11.58 -8.94 2 0 51.52-999 ?-999 ?-999 ? CL CL D 584