HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-NOV-07 3BB6 COMPND UNCHARACTERIZED PROTEIN YEAR; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 GENE: YEAR, B1797, JW1786; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR A.P.KUZIN,M.SU,J.SEETHARAMAN,D.WANG,H.JANJUA,L.OWENS,L-C.MA,R.XIAO, AUTHOR 2 J.LIU,M.C.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE,L.TONG,J.F.HUNT, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 46 8 HET MSE A 88 8 HET MSE A 106 8 HET MSE B 1 8 HET MSE B 46 8 HET MSE B 88 8 HET MSE B 106 8 HET MSE C 1 8 HET MSE C 46 8 HET MSE C 88 8 HET MSE C 106 8 HET MSE D 1 8 HET MSE D 46 8 HET MSE D 88 8 HET ZN A 128 1 HET ZN B 128 1 HET ZN C 128 1 HET ZN D 128 1 SITE 1 AC1 3 HIS A 30 ASP A 32 HIS A 83 SITE 1 AC2 3 HIS B 30 ASP B 32 HIS B 83 SITE 1 AC3 3 HIS C 30 ASP C 32 HIS C 83 SITE 1 AC4 3 HIS D 30 ASP D 32 HIS D 83 mMETA 1 -10.83 42.14 78.75 -10.27 41.82 79.51 -12.30 41.45 76.86 -11.76 40.34 76.87 -11.66 42.62 77.60 -10.80 43.43 76.61 2 0 16.51-999 ?-999 ?-999 ? ZN ZN A 128 mLEU.A 2 -13.44 41.68 76.23 -13.80 42.61 76.34 -13.34 40.58 74.14 -12.93 41.62 73.62 -14.10 40.63 75.46 -15.57 40.98 75.17 3 0 14.72-999 ?-999 ?-999 ? ZN ZN A 128 mGLN.A 3 -13.14 39.38 73.62 -13.50 38.62 74.16 -13.37 38.40 71.47 -14.12 37.55 71.97 -12.45 39.22 72.35 -11.11 38.50 72.53 2 0 16.47-999 ?-999 ?-999 ? ZN ZN A 128 mILE.A 4 -13.36 38.69 70.18 -12.75 39.43 69.92 -13.30 36.91 68.60 -12.24 37.24 68.07 -14.20 37.95 69.26 -14.81 38.90 68.20 3 0 16.11-999 ?-999 ?-999 ? ZN ZN A 128 mPRO.A 5 -13.70 35.63 68.67 -14.56 35.49 69.16 -12.51 34.81 66.63 -13.25 35.46 65.88 -12.92 34.53 68.08 -13.87 33.34 68.20 3 0 19.59-999 ?-999 ?-999 ? ZN ZN A 128 mGLN.A 6 -11.34 34.31 66.26 -10.87 33.81 66.98 -11.65 33.99 63.75 -11.57 34.53 62.65 -10.78 34.48 64.92 -9.44 33.77 64.81 2 0 19.42-999 ?-999 ?-999 ? ZN ZN C 128 mASN.A 7 -12.47 32.97 63.99 -12.46 32.63 64.92 -14.63 33.19 62.71 -15.35 32.90 61.76 -13.32 32.43 62.92 -13.63 30.96 63.21 2 0 18.38-999 ?-999 ?-999 ? ZN ZN D 128 mTYR.A 8 -14.96 34.14 63.57 -14.30 34.31 64.31 -16.28 35.69 62.12 -15.26 36.10 61.58 -16.22 34.87 63.41 -16.50 35.72 64.64 3 0 17.22-999 ?-999 ?-999 ? ZN ZN D 128 mILE^A 9 -17.50 35.94 61.65 -18.24 35.59 62.22 -18.28 38.07 60.57 -19.18 38.29 61.38 -17.73 36.65 60.39 -18.74 35.87 59.52 3 0 15.23-999 ?-999 ?-999 ? ZN ZN D 128 mHIS^A 10 -17.75 39.02 59.81 -17.01 38.72 59.21 -19.55 40.41 59.07 -19.55 40.13 57.87 -18.25 40.40 59.88 -17.23 41.40 59.28 3 0 16.55-999 ?-999 ?-999 ? ZN ZN A 128 mTHR^A 11 -20.65 40.73 59.73 -20.51 40.97 60.69 -22.56 42.07 58.74 -23.20 42.23 57.71 -21.95 40.72 59.07 -23.00 39.99 59.91 2 0 15.05-999 ?-999 ?-999 ? ZN ZN D 128 mARG^A 12 -22.36 43.04 59.62 -21.81 42.80 60.41 -22.12 45.47 60.03 -21.44 45.26 61.05 -22.93 44.36 59.39 -24.38 44.39 59.92 2 0 13.64-999 ?-999 ?-999 ? ZN ZN A 128 mSER^A 13 -22.19 46.64 59.43 -22.77 46.66 58.61 -22.47 48.96 59.93 -23.13 49.19 58.92 -21.49 47.80 59.94 -20.29 48.13 59.05 2 0 12.89-999 ?-999 ?-999 ? ZN ZN A 128 mTHR.A 14 -22.60 49.68 61.04 -22.05 49.37 61.81 -22.69 52.03 60.59 -21.46 52.00 60.62 -23.51 50.82 61.06 -24.03 51.15 62.47 2 0 11.43-999 ?-999 ?-999 ? ZN ZN A 128 mPRO.A 15 -23.37 53.09 60.14 -24.37 53.03 60.12 -22.09 54.99 60.95 -22.44 54.63 62.07 -22.57 54.24 59.71 -23.55 55.05 58.88 3 0 13.94-999 ?-999 ?-999 ? ZN ZN A 128 mPHE.A 16 -21.27 56.01 60.75 -21.03 56.18 59.80 -21.95 57.58 62.48 -22.76 58.16 61.75 -20.78 56.80 61.87 -19.71 57.78 61.39 3 0 14.04-999 ?-999 ?-999 ? ZN ZN A 128 mTRP.A 17 -22.04 57.56 63.81 -21.32 57.04 64.27 -22.59 59.14 65.64 -21.52 58.88 66.21 -23.10 58.27 64.50 -24.13 57.30 65.11 3 0 12.58-999 ?-999 ?-999 ? ZN ZN A 128 mASN.A 18 -23.38 60.17 65.96 -24.19 60.23 65.38 -24.42 61.21 67.83 -25.41 60.56 67.48 -23.10 61.10 67.05 -22.68 62.48 66.52 2 0 13.76-999 ?-999 ?-999 ? ZN ZN A 128 mLYS.A 19 -24.45 62.01 68.89 -23.59 62.50 69.07 -26.93 62.37 68.89 -28.00 61.92 69.29 -25.66 62.13 69.69 -25.51 63.25 70.74 2 0 13.75-999 ?-999 ?-999 ? ZN ZN A 128 mGLN.A 20 -26.81 63.07 67.76 -25.88 63.34 67.55 -28.39 62.37 65.85 -29.59 62.17 65.63 -27.97 63.38 66.93 -27.75 64.75 66.26 2 0 15.76-999 ?-999 ?-999 ? ZN ZN A 128 mTHR.A 21 -27.42 61.75 65.18 -26.50 61.98 65.47 -27.97 59.37 64.52 -28.53 58.58 63.76 -27.73 60.81 64.10 -26.61 60.81 63.03 2 0 14.65-999 ?-999 ?-999 ? ZN ZN A 128 mALA.A 22 -27.54 59.03 65.73 -27.10 59.76 66.25 -29.15 57.47 66.73 -29.78 58.41 67.21 -27.72 57.67 66.22 -26.73 57.38 67.36 2 0 10.89-999 ?-999 ?-999 ? ZN ZN A 128 mPRO~A 23 -29.69 56.24 66.60 -29.09 55.56 66.18 -31.22 56.39 68.53 -30.45 55.97 69.39 -31.06 55.97 67.07 -31.19 54.46 66.90 3 0 10.22-999 ?-999 ?-999 ? ZN ZN A 128 mALA~A 24 -32.21 57.23 68.79 -32.77 57.48 68.00 -32.40 56.63 71.22 -31.79 56.82 72.28 -32.45 57.72 70.15 -33.80 58.43 70.21 2 0 11.34-999 ?-999 ?-999 ? ZN ZN A 128 mGLY~A 25 -33.03 55.49 70.95 -33.46 55.45 70.05 -31.78 53.71 72.31 -31.78 52.89 73.23 -33.08 54.40 71.92-999.99-999.99-999.99 1 0 9.17-999 ?-999 ?-999 ? ZN ZN A 128 mILE~A 26 -30.69 54.02 71.63 -30.82 54.70 70.90 -28.86 53.97 73.25 -28.06 53.33 73.93 -29.41 53.40 71.94 -28.39 53.60 70.80 3 0 5.91-999 ?-999 ?-999 ? ZN ZN A 128 mPHE~A 27 -29.30 55.18 73.61 -29.96 55.58 72.97 -29.69 55.44 76.04 -29.41 55.85 77.16 -28.84 55.83 74.83 -28.85 57.34 74.64 3 0 8.29-999 ?-999 ?-999 ? ZN ZN A 128 mGLU~A 28 -30.72 54.63 75.80 -30.84 54.38 74.84 -31.32 52.68 77.08 -30.90 52.00 76.15 -31.59 54.17 76.88 -33.06 54.39 76.54 2 0 9.30-999 ?-999 ?-999 ? ZN ZN A 128 mARG.A 29 -31.56 52.18 78.29 -31.91 52.84 78.95 -32.09 49.90 77.61 -33.30 50.04 77.46 -31.31 50.77 78.58 -31.70 50.45 80.02 2 0 8.75-999 ?-999 ?-999 ? ZN ZN A 128 mHIS.A 30 -31.37 49.02 76.93 -30.40 49.01 77.15 -31.22 46.88 75.75 -30.14 46.69 76.30 -31.99 48.16 75.94 -32.06 48.89 74.60 3 0 -7.20-999 ?-999 ?-999 ? ZN ZN A 128s mLEU.A 31 -31.80 46.00 74.93 -32.68 46.31 74.58 -31.02 44.80 73.08 -31.95 45.14 72.35 -31.21 44.72 74.59 -32.19 43.61 74.94 3 0 6.99-999 ?-999 ?-999 ? ZN ZN A 128 mASP.A 32 -29.81 44.54 72.60 -29.12 44.30 73.28 -30.51 43.68 70.41 -30.65 42.50 70.73 -29.56 44.60 71.17 -28.11 44.25 70.85 2 0 -5.41-999 ?-999 ?-999 ? ZN ZN A 128s mLYS.A 33 -31.17 44.24 69.41 -30.95 45.20 69.27 -31.51 42.26 67.95 -30.63 42.37 67.10 -32.13 43.51 68.59 -32.69 44.45 67.53 2 0 8.66-999 ?-999 ?-999 ? ZN ZN A 128 mGLY.A 34 -31.98 41.09 68.37 -32.69 41.14 69.08 -30.29 39.26 68.56 -29.78 38.21 68.17 -31.48 39.85 67.82-999.99-999.99-999.99 1 0 11.12-999 ?-999 ?-999 ? ZN ZN A 128 mTHR.A 35 -29.83 39.93 69.62 -30.33 40.77 69.83 -28.92 38.01 70.89 -30.01 37.66 71.32 -28.69 39.43 70.39 -28.36 40.34 71.63 2 0 9.67-999 ?-999 ?-999 ? ZN ZN A 128 mARG.A 36 -27.86 37.20 70.83 -27.05 37.62 70.44 -26.48 35.30 71.29 -25.58 35.93 70.71 -27.91 35.82 71.29 -28.79 34.97 70.36 2 0 12.93-999 ?-999 ?-999 ? ZN ZN A 128 mPRO.A 37 -26.22 34.15 71.93 -26.99 33.70 72.37 -24.29 33.55 70.49 -24.95 32.98 69.62 -24.83 33.68 71.91 -24.91 32.34 72.64 3 0 14.95-999 ?-999 ?-999 ? ZN ZN A 128 mGLY.A 38 -23.11 34.11 70.26 -22.69 34.56 71.05 -22.65 35.33 68.13 -22.29 35.39 66.96 -22.49 34.05 68.94-999.99-999.99-999.99 1 0 15.25-999 ?-999 ?-999 ? ZN ZN A 128 mVAL^A 39 -23.21 36.37 68.75 -23.48 36.17 69.70 -22.72 38.72 68.96 -23.25 39.12 70.00 -23.40 37.65 68.10 -24.90 38.00 67.94 3 0 11.89-999 ?-999 ?-999 ? ZN ZN A 128 mTYR^A 40 -21.56 39.19 68.51 -21.27 38.80 67.64 -20.69 41.53 68.56 -20.25 41.62 67.41 -20.79 40.19 69.24 -19.36 39.69 69.47 3 0 10.25-999 ?-999 ?-999 ? ZN ZN A 128 mPRO^A 41 -21.12 42.61 69.24 -21.50 42.43 70.15 -19.69 44.57 69.08 -19.25 44.36 70.22 -21.01 43.93 68.63 -22.24 44.66 69.16 3 0 7.60-999 ?-999 ?-999 ? ZN ZN A 128 mARG^A 42 -19.05 45.34 68.20 -19.52 45.39 67.32 -17.97 47.53 68.25 -18.30 47.95 67.14 -17.79 46.03 68.50 -16.65 45.49 67.62 2 0 9.27-999 ?-999 ?-999 ? ZN ZN A 128 mLEU^A 43 -17.76 48.34 69.29 -17.49 47.88 70.14 -16.59 50.49 69.18 -15.84 50.41 70.15 -17.92 49.77 69.15 -18.84 50.32 70.26 3 0 8.64-999 ?-999 ?-999 ? ZN ZN A 128 mSER^A 44 -16.30 51.19 68.09 -17.00 51.15 67.38 -15.38 53.42 67.93 -16.29 53.85 67.22 -15.06 51.94 67.95 -14.36 51.57 66.64 2 0 12.13-999 ?-999 ?-999 ? ZN ZN A 128 mVAL^A 45 -14.66 54.22 68.71 -13.96 53.79 69.27 -13.84 56.39 67.94 -12.66 56.31 68.30 -14.95 55.65 68.68 -15.24 56.20 70.12 3 0 13.52-999 ?-999 ?-999 ? ZN ZN A 128 mMETA 46 -14.24 57.09 66.89 -15.23 57.05 66.74 -12.94 59.21 66.62 -11.85 59.71 66.33 -13.34 57.85 66.03 -14.01 58.06 64.65 2 0 16.78-999 ?-999 ?-999 ? ZN ZN A 128 mHIS^A 47 -13.82 59.80 67.42 -14.67 59.29 67.55 -14.34 61.22 69.34 -15.48 60.78 69.42 -13.54 61.10 68.05 -13.86 62.26 67.09 3 0 18.09-999 ?-999 ?-999 ? ZN ZN A 128 mGLY.A 48 -13.72 61.83 70.34 -12.79 62.16 70.15 -14.30 60.72 72.43 -13.25 60.10 72.52 -14.39 62.00 71.61-999.99-999.99-999.99 1 0 17.74-999 ?-999 ?-999 ? ZN ZN A 128 mALA^A 49 -15.42 60.32 73.03 -16.22 60.90 72.86 -16.84 58.65 74.10 -17.77 59.45 74.20 -15.43 59.12 73.84 -14.71 59.38 75.17 2 0 15.03-999 ?-999 ?-999 ? ZN ZN A 128 mVAL^A 50 -17.01 57.33 74.21 -16.17 56.80 74.10 -18.23 55.85 75.71 -17.28 55.08 75.88 -18.31 56.74 74.47 -18.79 55.89 73.28 3 0 11.48-999 ?-999 ?-999 ? ZN ZN A 128 mLYS^A 51 -19.23 55.96 76.57 -19.93 56.63 76.32 -20.33 54.07 77.67 -21.48 54.34 77.29 -19.26 55.16 77.77 -19.55 56.03 78.99 2 0 11.04-999 ?-999 ?-999 ? ZN ZN A 128 mTYR^A 52 -19.94 52.85 78.01 -18.97 52.77 78.25 -21.13 51.30 79.46 -20.21 51.19 80.26 -20.86 51.72 78.01 -20.28 50.56 77.19 3 0 8.51-999 ?-999 ?-999 ? ZN ZN A 128 mLEU^A 53 -22.41 51.09 79.77 -23.04 51.25 79.01 -23.67 49.39 80.91 -24.69 49.39 80.20 -22.85 50.66 81.10 -23.73 51.71 81.77 3 0 9.86-999 ?-999 ?-999 ? ZN ZN A 128 mGLY^A 54 -23.23 48.30 81.54 -22.40 48.43 82.07 -24.66 46.69 82.74 -24.15 46.95 83.83 -23.94 47.04 81.44-999.99-999.99-999.99 1 0 9.80-999 ?-999 ?-999 ? ZN ZN A 128 mTYR^A 55 -25.84 46.09 82.62 -26.14 45.93 81.68 -26.90 44.23 83.89 -27.08 43.57 82.87 -26.61 45.72 83.81 -27.94 46.48 83.85 3 0 12.18-999 ?-999 ?-999 ? ZN ZN A 128 mALA.A 56 -26.93 43.72 85.12 -26.75 44.39 85.84 -28.53 41.87 84.79 -28.68 40.73 84.36 -27.19 42.31 85.39 -27.19 42.07 86.90 2 0 14.85-999 ?-999 ?-999 ? ZN ZN A 128 mASP.A 57 -29.51 42.77 84.79 -29.28 43.64 85.21 -31.53 43.76 83.85 -31.03 44.86 84.11 -30.81 42.47 84.21 -31.66 41.62 85.16 2 0 14.49-999 ?-999 ?-999 ? ZN ZN A 128 mGLU.A 58 -32.71 43.60 83.27 -32.99 42.65 83.16 -33.82 45.77 83.89 -33.88 46.96 83.58 -33.51 44.73 82.82 -34.82 44.24 82.20 2 0 13.74-999 ?-999 ?-999 ? ZN ZN A 128 mHIS.A 59 -34.01 45.35 85.14 -33.88 44.36 85.29 -33.35 46.61 87.27 -33.70 47.26 88.26 -34.36 46.31 86.17 -35.69 45.89 86.79 3 0 16.62-999 ?-999 ?-999 ? ZN ZN A 128 mSER.A 60 -32.11 46.14 87.11 -31.97 45.61 86.28 -30.97 47.92 88.29 -31.07 48.69 87.33 -31.07 46.42 88.10 -29.71 45.87 87.62 2 0 17.03-999 ?-999 ?-999 ? ZN ZN A 128 mALA.A 61 -30.78 48.34 89.53 -30.71 47.60 90.20 -29.33 50.35 89.46 -29.25 51.52 89.09 -30.68 49.76 89.87 -30.90 49.96 91.37 2 0 18.52-999 ?-999 ?-999 ? ZN ZN A 128 mGLU.A 62 -28.28 49.54 89.52 -28.48 48.61 89.84 -26.27 49.04 88.19 -26.55 47.84 88.18 -26.94 50.01 89.16 -26.07 50.16 90.40 2 0 17.25-999 ?-999 ?-999 ? ZN ZN A 128 mPRO.A 63 -25.35 49.55 87.36 -25.18 50.54 87.44 -23.58 47.85 87.08 -23.02 48.26 88.10 -24.67 48.67 86.41 -24.11 49.64 85.39 3 0 14.48-999 ?-999 ?-999 ? ZN ZN A 128 mASP.A 64 -23.28 46.69 86.50 -23.82 46.47 85.69 -21.06 45.81 86.06 -20.15 45.00 86.21 -22.23 45.85 87.04 -22.76 44.44 87.32 2 0 15.76-999 ?-999 ?-999 ? ZN ZN A 128 mGLN^A 65 -21.10 46.69 85.06 -21.90 47.29 85.06 -19.90 48.15 83.45 -20.84 48.67 82.86 -20.03 46.74 84.06 -20.29 45.68 82.97 2 0 13.59-999 ?-999 ?-999 ? ZN ZN A 128 mVAL^A 66 -18.72 48.76 83.59 -18.04 48.22 84.08 -17.27 50.12 82.15 -16.19 49.69 82.54 -18.48 50.11 83.07 -18.20 51.09 84.22 3 0 13.48-999 ?-999 ?-999 ? ZN ZN A 128 mILE^A 67 -17.46 50.62 80.93 -18.39 50.94 80.76 -16.33 52.05 79.27 -17.30 52.48 78.63 -16.38 50.69 79.95 -16.55 49.63 78.84 3 0 12.66-999 ?-999 ?-999 ? ZN ZN A 128 mLEU^A 68 -15.21 52.74 79.41 -14.50 52.29 79.96 -14.17 53.85 77.55 -13.01 53.48 77.65 -15.04 54.04 78.79 -14.39 55.02 79.76 3 0 13.99-999 ?-999 ?-999 ? ZN ZN A 128 mILE^A 69 -14.76 54.08 76.37 -15.71 54.37 76.45 -13.63 55.29 74.55 -14.48 56.15 74.28 -14.06 53.93 75.10 -14.96 53.26 74.04 3 0 13.45-999 ?-999 ?-999 ? ZN ZN A 128 mGLU^A 70 -12.33 55.48 74.37 -11.75 54.71 74.63 -11.47 56.63 72.36 -11.46 55.53 71.80 -11.82 56.74 73.84 -10.58 57.19 74.61 2 0 16.46-999 ?-999 ?-999 ? ZN ZN A 128 mALA.A 71 -11.21 57.77 71.74 -11.28 58.59 72.32 -9.64 56.88 70.10 -8.67 56.95 70.85 -10.85 57.79 70.32 -10.50 59.22 69.90 2 0 17.80-999 ?-999 ?-999 ? ZN ZN A 128 mGLY.A 72 -9.70 56.02 69.09 -10.54 56.05 68.55 -8.76 53.77 69.51 -7.97 52.83 69.33 -8.59 55.12 68.83-999.99-999.99-999.99 1 0 17.64-999 ?-999 ?-999 ? ZN ZN C 128 mGLN.A 73 -9.82 53.66 70.31 -10.37 54.49 70.38 -11.42 51.79 70.52 -12.23 52.44 69.84 -10.11 52.41 71.01 -10.28 52.64 72.51 2 0 16.37-999 ?-999 ?-999 ? ZN ZN A 128 mPHE^A 74 -11.62 50.53 70.88 -10.85 50.11 71.36 -13.10 48.89 71.76 -12.19 48.59 72.54 -12.86 49.83 70.59 -12.81 49.05 69.27 3 0 13.26-999 ?-999 ?-999 ? ZN ZN A 128 mALA^A 75 -14.34 48.44 71.89 -14.99 48.79 71.22 -15.75 46.59 72.38 -16.59 47.03 71.60 -14.68 47.50 72.94 -15.20 48.23 74.17 2 0 11.41-999 ?-999 ?-999 ? ZN ZN A 128 mVAL^A 76 -15.68 45.33 72.78 -14.90 45.15 73.38 -17.58 44.12 73.56 -17.13 43.93 74.69 -16.63 44.30 72.37 -15.90 42.96 72.10 3 0 10.31-999 ?-999 ?-999 ? ZN ZN A 128 mPHE.A 77 -18.89 44.19 73.31 -19.12 44.36 72.35 -20.42 42.61 74.47 -20.56 41.92 73.46 -19.87 44.03 74.38 -21.05 44.99 74.18 3 0 8.00-999 ?-999 ?-999 ? ZN ZN A 128 mPRO.A 78 -20.73 42.15 75.70 -20.56 42.80 76.44 -22.68 40.70 75.32 -23.48 41.62 75.47 -21.26 40.80 75.89 -21.24 40.65 77.42 3 0 9.91-999 ?-999 ?-999 ? ZN ZN A 128 mPRO.A 79 -23.00 39.59 74.63 -22.27 38.91 74.56 -25.41 39.09 75.09 -25.11 38.61 76.18 -24.34 39.43 74.05 -24.14 38.31 73.04 3 0 9.53-999 ?-999 ?-999 ? ZN ZN A 128 mGLU.A 80 -26.67 39.35 74.75 -26.77 39.76 73.84 -27.65 39.80 76.97 -27.94 39.23 78.01 -27.78 39.07 75.64 -27.87 37.56 75.94 2 0 10.35-999 ?-999 ?-999 ? ZN ZN A 128 mLYS.A 81 -27.19 41.04 76.94 -26.95 41.40 76.04 -27.68 43.18 78.06 -27.47 43.87 77.06 -27.08 41.78 78.19 -25.62 41.87 78.63 2 0 9.27-999 ?-999 ?-999 ? ZN ZN A 128 mTRP^A 82 -28.47 43.59 79.05 -28.60 42.91 79.78 -27.99 45.97 79.25 -27.09 45.80 80.08 -29.08 44.91 79.05 -30.13 45.01 80.16 3 0 8.53-999 ?-999 ?-999 ? ZN ZN A 128 mHIS^A 83 -28.07 47.06 78.50 -28.87 47.10 77.90 -27.51 49.35 77.82 -28.64 49.43 77.32 -27.06 48.11 78.57 -25.80 47.61 77.89 3 0 -6.69-999 ?-999 ?-999 ? ZN ZN A 128s mASN^A 84 -26.58 50.29 77.71 -25.73 50.07 78.18 -25.43 52.26 76.87 -24.51 51.99 77.66 -26.78 51.54 76.97 -27.80 52.43 77.67 2 0 5.84-999 ?-999 ?-999 ? ZN ZN A 128 mILE^A 85 -25.29 53.14 75.89 -26.09 53.23 75.29 -24.35 55.36 75.96 -25.51 55.77 76.00 -24.06 53.89 75.72 -23.46 53.74 74.31 3 0 6.77-999 ?-999 ?-999 ? ZN ZN A 128 mGLU^A 86 -23.29 56.15 76.13 -22.42 55.67 76.07 -22.27 58.27 75.68 -21.13 57.90 75.87 -23.43 57.58 76.37 -23.36 57.87 77.86 2 0 10.32-999 ?-999 ?-999 ? ZN ZN A 128 mALA^A 87 -22.58 59.28 74.88 -23.55 59.47 74.79 -21.01 61.06 75.18 -21.78 61.81 75.75 -21.53 60.02 74.19 -22.12 60.70 72.96 2 0 12.47-999 ?-999 ?-999 ? ZN ZN A 128 mMETA 88 -19.70 61.10 75.40 -19.15 60.45 74.87 -19.03 63.50 75.87 -18.83 64.40 76.68 -19.16 62.06 76.36 -17.83 61.55 76.92 2 0 15.72-999 ?-999 ?-999 ? ZN ZN A 128 mTHR.A 89 -19.14 63.73 74.57 -19.28 62.91 74.01 -20.00 65.20 72.84 -20.52 64.19 72.37 -19.06 65.09 74.03 -17.63 65.44 73.56 2 0 18.02-999 ?-999 ?-999 ? ZN ZN A 128 mASP.A 90 -20.21 66.43 72.37 -19.71 67.14 72.87 -20.46 66.29 69.90 -21.16 65.84 68.99 -21.09 66.69 71.24 -21.48 68.18 71.21 2 0 18.78-999 ?-999 ?-999 ? ZN ZN A 128 mASP.A 91 -19.15 66.45 69.79 -18.68 66.83 70.59 -18.08 64.61 68.53 -17.42 64.16 67.60 -18.49 66.08 68.55 -17.26 66.98 68.26 2 0 19.35-999 ?-999 ?-999 ? ZN ZN A 128 mTHR.A 92 -18.50 63.87 69.55 -19.03 64.35 70.24 -18.83 61.67 68.49 -20.00 61.87 68.19 -18.17 62.44 69.62 -18.67 61.75 70.93 2 0 16.09-999 ?-999 ?-999 ? ZN ZN A 128 mTYR^A 93 -18.07 60.81 67.82 -17.10 60.80 68.06 -18.05 58.58 66.79 -16.85 58.42 66.94 -18.70 59.96 66.82 -18.77 60.61 65.43 3 0 14.47-999 ?-999 ?-999 ? ZN ZN A 128 mPHE^A 94 -18.90 57.58 66.62 -19.85 57.87 66.48 -19.31 55.43 65.61 -20.21 55.98 64.98 -18.49 56.19 66.63 -18.82 55.62 68.00 3 0 11.95-999 ?-999 ?-999 ? ZN ZN A 128 mASN^A 95 -18.99 54.15 65.45 -18.21 53.83 65.99 -19.68 51.95 65.20 -18.85 51.71 66.07 -19.76 53.31 64.55 -19.15 53.27 63.15 2 0 10.80-999 ?-999 ?-999 ? ZN ZN A 128 mILE^A 96 -20.57 51.05 64.80 -21.19 51.36 64.09 -20.50 48.63 64.34 -21.21 48.69 63.33 -20.57 49.72 65.39 -21.85 49.51 66.24 3 0 8.61-999 ?-999 ?-999 ? ZN ZN A 128 mASP^A 97 -19.61 47.66 64.57 -19.08 47.78 65.40 -19.93 45.29 64.42 -19.66 45.14 65.61 -19.46 46.53 63.67 -18.00 46.34 63.27 2 0 10.78-999 ?-999 ?-999 ? ZN ZN A 128 mPHE^A 98 -20.64 44.42 63.72 -20.77 44.67 62.76 -20.49 41.98 63.71 -20.26 41.93 62.50 -21.16 43.19 64.32 -22.67 43.09 64.11 3 0 10.55-999 ?-999 ?-999 ? ZN ZN A 128 mPHE^A 99 -20.17 41.01 64.55 -20.42 41.19 65.50 -20.31 38.60 64.68 -20.80 38.66 65.81 -19.53 39.78 64.11 -18.08 39.73 64.62 3 0 13.47-999 ?-999 ?-999 ? ZN ZN A 128 mVAL^A 100 -20.42 37.52 63.90 -19.97 37.58 63.01 -20.51 35.04 64.04 -19.83 34.90 63.02 -21.17 36.36 64.38 -22.60 36.35 63.81 3 0 15.19-999 ?-999 ?-999 ? ZN ZN A 128 mALA~A 101 -20.74 34.06 64.91 -21.30 34.33 65.69 -20.73 32.06 63.45 -21.87 32.29 63.02 -20.21 32.72 64.73 -20.57 31.87 65.94 2 0 15.09-999 ?-999 ?-999 ? ZN ZN D 128 mPRO~A 102 -19.90 31.23 62.81 -19.00 31.11 63.21 -21.55 29.62 61.85 -22.50 29.59 61.06 -20.35 30.55 61.58 -19.11 29.80 61.12 3 0 12.03-999 ?-999 ?-999 ? ZN ZN D 128 mGLU~A 103 -21.52 28.89 62.96 -20.70 29.03 63.52 -23.95 28.63 63.51 -24.99 27.97 63.39 -22.60 27.95 63.30 -22.27 27.17 64.58 2 0 12.12-999 ?-999 ?-999 ? ZN ZN D 128 mVAL~A 104 -23.96 29.92 63.83 -23.06 30.35 63.89 -25.66 31.39 62.83 -26.81 31.81 62.71 -25.23 30.59 64.05 -25.18 31.52 65.27 3 0 12.09-999 ?-999 ?-999 ? ZN ZN D 128 mLEU~A 105 -24.71 31.60 61.93 -23.82 31.21 62.16 -25.62 31.31 59.76 -26.45 31.63 58.91 -24.99 32.33 60.71 -23.68 32.88 60.16 3 0 9.54-999 ?-999 ?-999 ? ZN ZN D 128 mMETA 106 -25.21 30.06 59.95 -24.55 29.97 60.70 -25.88 27.74 60.10 -24.98 26.91 60.30 -25.68 28.93 59.16 -24.63 28.59 58.09 2 0 7.10-999 ?-999 ?-999 ? ZN ZN D 128 mGLU.A 107 -27.07 27.66 60.69 -27.71 28.38 60.45 -27.83 25.31 60.91 -28.87 25.29 60.25 -27.37 26.57 61.62 -28.41 27.02 62.65 2 0 9.43-999 ?-999 ?-999 ? ZN ZN D 128 mGLY.A 108 -27.04 24.25 61.05 -26.22 24.40 61.60 -28.50 22.27 61.16 -28.88 22.66 62.27 -27.38 22.98 60.43-999.99-999.99-999.99 1 0 9.79-999 ?-999 ?-999 ? ZN ZN D 128 mALA.A 109 -29.04 21.23 60.54 -28.64 21.03 59.64 -29.65 19.70 62.36 -28.87 18.75 62.23 -30.13 20.47 61.13 -30.71 19.50 60.10 2 0 12.12-999 ?-999 ?-999 ? ZN ZN D 128 mMETB 1 -19.68 35.08 27.62 -19.48 34.46 26.86 -18.69 36.29 29.50 -17.79 35.45 29.56 -19.98 36.01 28.75 -21.00 35.38 29.72 2 0 16.74-999 ?-999 ?-999 ? ZN ZN B 128 mLEU.B 2 -18.58 37.49 30.07 -19.34 38.12 29.91 -17.56 37.12 32.21 -18.67 37.01 32.72 -17.39 37.80 30.86 -17.23 39.30 31.08 3 0 14.91-999 ?-999 ?-999 ? ZN ZN B 128 mGLN.B 3 -16.46 36.62 32.76 -15.63 36.72 32.20 -15.43 36.60 34.97 -14.31 36.87 34.54 -16.49 35.97 34.07 -16.27 34.46 33.95 2 0 16.46-999 ?-999 ?-999 ? ZN ZN B 128 mILE.B 4 -15.80 36.85 36.22 -16.75 36.60 36.43 -14.09 36.27 37.76 -14.69 35.32 38.26 -14.88 37.44 37.17 -15.65 38.19 38.28 3 0 15.90-999 ?-999 ?-999 ? ZN ZN B 128 mPRO.B 5 -12.75 36.31 37.68 -12.37 37.12 37.23 -12.27 34.92 39.68 -12.50 35.83 40.49 -11.94 35.22 38.23 -10.51 35.71 38.03 3 0 19.37-999 ?-999 ?-999 ? ZN ZN B 128 mGLN.B 6 -12.26 33.64 40.00 -12.01 33.05 39.23 -11.76 33.69 42.49 -12.20 33.59 43.64 -12.58 33.13 41.32 -12.49 31.60 41.27 2 0 19.47-999 ?-999 ?-999 ? ZN ZN D 128 mASN.B 7 -10.60 34.27 42.24 -10.32 34.30 41.28 -10.09 36.29 43.63 -9.51 36.87 44.56 -9.82 34.81 43.36 -8.30 34.59 43.15 2 0 18.55-999 ?-999 ?-999 ? ZN ZN C 128 mTYR.B 8 -10.99 36.90 42.85 -11.42 36.32 42.16 -12.05 38.61 44.32 -12.67 37.73 44.91 -11.29 38.31 43.03 -12.03 38.85 41.82 3 0 17.16-999 ?-999 ?-999 ? ZN ZN C 128 mILE^B 9 -12.01 39.87 44.74 -11.53 40.50 44.13 -13.75 41.29 45.85 -13.60 42.29 45.15 -12.63 40.27 46.00 -11.55 40.86 46.93 3 0 15.17-999 ?-999 ?-999 ? ZN ZN C 128 mHIS^B 10 -14.87 41.03 46.50 -14.86 40.17 47.02 -15.64 43.21 47.21 -15.28 43.14 48.38 -16.02 41.93 46.46 -17.23 41.26 47.11 3 0 16.31-999 ?-999 ?-999 ? ZN ZN B 128 mTHR^B 11 -15.72 44.37 46.56 -16.04 44.29 45.62 -16.50 46.60 47.49 -16.47 47.32 48.50 -15.35 45.63 47.22 -14.28 46.41 46.42 2 0 14.87-999 ?-999 ?-999 ? ZN ZN C 128 mARG^B 12 -17.48 46.65 46.61 -17.38 46.03 45.83 -19.91 47.02 46.21 -19.91 46.27 45.23 -18.61 47.56 46.79 -18.33 48.92 46.16 2 0 13.21-999 ?-999 ?-999 ? ZN ZN B 128 mSER^B 13 -21.01 47.42 46.83 -20.85 48.02 47.61 -23.23 48.24 46.48 -23.37 48.84 47.55 -22.32 47.02 46.39 -22.85 45.89 47.27 2 0 12.69-999 ?-999 ?-999 ? ZN ZN B 128 mTHR.B 14 -23.83 48.61 45.35 -23.61 48.04 44.56 -26.11 49.30 45.74 -26.48 48.14 45.54 -24.73 49.75 45.33 -24.89 50.32 43.93 2 0 11.35-999 ?-999 ?-999 ? ZN ZN B 128 mPRO.B 15 -26.90 50.21 46.31 -26.52 51.13 46.44 -29.07 49.57 45.45 -28.60 49.88 44.35 -28.24 49.79 46.71 -28.74 50.96 47.54 3 0 13.96-999 ?-999 ?-999 ? ZN ZN B 128 mPHE.B 16 -30.27 49.04 45.59 -30.53 48.83 46.53 -31.53 50.15 43.81 -31.96 51.06 44.51 -31.13 48.81 44.44 -32.38 48.04 44.86 3 0 14.01-999 ?-999 ?-999 ? ZN ZN B 128 mTRP.B 17 -31.38 50.25 42.49 -31.01 49.43 42.06 -32.71 51.21 40.66 -32.73 50.12 40.08 -31.71 51.46 41.77 -30.48 52.10 41.12 3 0 12.43-999 ?-999 ?-999 ? ZN ZN B 128 mASN.B 18 -33.50 52.23 40.36 -33.36 53.04 40.93 -34.23 53.34 38.35 -33.22 54.03 38.49 -34.50 52.16 39.29 -35.92 52.23 39.87 2 0 13.76-999 ?-999 ?-999 ? ZN ZN B 128 mLYS.B 19 -35.12 53.57 37.40 -35.91 52.95 37.41 -34.79 56.03 37.09 -34.10 56.91 36.57 -34.93 54.65 36.44 -36.10 54.64 35.44 2 0 13.82-999 ?-999 ?-999 ? ZN ZN B 128 mGLN.B 20 -35.41 56.20 38.25 -35.90 55.39 38.57 -34.29 57.57 40.06 -33.67 58.62 40.22 -35.36 57.47 38.97 -36.72 57.75 39.61 2 0 15.60-999 ?-999 ?-999 ? ZN ZN B 128 mTHR.B 21 -34.08 56.50 40.81 -34.63 55.70 40.57 -31.65 56.34 41.55 -30.76 56.67 42.33 -33.11 56.53 41.91 -33.46 55.50 43.00 2 0 14.53-999 ?-999 ?-999 ? ZN ZN B 128 mALA.B 22 -31.40 55.80 40.37 -32.21 55.57 39.82 -29.39 56.90 39.59 -30.07 57.84 39.18 -30.03 55.57 39.93 -30.02 54.67 38.71 2 0 10.76-999 ?-999 ?-999 ? ZN ZN B 128 mPRO~B 23 -28.06 57.02 39.78 -27.59 56.21 40.15 -27.58 58.56 37.96 -27.28 57.69 37.13 -27.40 58.28 39.46 -25.93 58.03 39.85 3 0 10.10-999 ?-999 ?-999 ? ZN ZN B 128 mALA~B 24 -28.08 59.74 37.63 -28.25 60.34 38.41 -27.23 59.81 35.27 -27.48 59.45 34.12 -28.35 60.12 36.25 -28.70 61.61 36.18 2 0 11.00-999 ?-999 ?-999 ? ZN ZN B 128 mGLY~B 25 -25.99 59.95 35.73 -25.92 60.23 36.69 -24.69 58.29 34.30 -24.00 58.12 33.29 -24.85 59.69 34.87-999.99-999.99-999.99 1 0 8.72-999 ?-999 ?-999 ? ZN ZN B 128 mILE~B 26 -25.32 57.30 34.91 -25.87 57.57 35.70 -25.95 55.69 33.14 -25.64 54.76 32.38 -25.18 55.93 34.43 -25.63 54.91 35.51 3 0 5.62-999 ?-999 ?-999 ? ZN ZN B 128 mPHE~B 27 -26.95 56.52 32.87 -27.08 57.24 33.55 -27.15 56.99 30.43 -27.61 56.75 29.31 -27.77 56.38 31.67 -29.15 56.98 31.92 3 0 8.34-999 ?-999 ?-999 ? ZN ZN B 128 mGLU~B 28 -26.10 57.79 30.62 -25.86 57.92 31.58 -24.02 57.74 29.40 -23.46 57.27 30.39 -25.38 58.41 29.51 -25.21 59.91 29.75 2 0 9.28-999 ?-999 ?-999 ? ZN ZN B 128 mARG.B 29 -23.48 57.72 28.19 -24.04 58.16 27.48 -21.13 57.67 28.86 -20.91 58.88 28.91 -22.19 57.10 27.94 -21.79 57.32 26.48 2 0 8.64-999 ?-999 ?-999 ? ZN ZN B 128 mHIS.B 30 -20.46 56.78 29.59 -20.73 55.83 29.43 -18.40 56.09 30.69 -18.50 55.01 30.10 -19.43 57.19 30.52 -20.05 57.45 31.89 3 0 -7.22-999 ?-999 ?-999 ? ZN ZN B 128s mLEU.B 31 -17.43 56.38 31.54 -17.50 57.28 31.95 -16.34 55.40 33.35 -16.03 56.40 34.01 -16.35 55.45 31.83 -15.05 56.03 31.28 3 0 7.04-999 ?-999 ?-999 ? ZN ZN B 128 mASP.B 32 -16.69 54.25 33.93 -16.91 53.51 33.29 -15.51 54.71 36.09 -14.37 54.57 35.63 -16.73 54.13 35.38 -16.91 52.67 35.82 2 0 -5.52-999 ?-999 ?-999 ? ZN ZN B 128s mLYS.B 33 -15.76 55.37 37.22 -16.73 55.42 37.46 -13.69 54.92 38.47 -14.07 53.88 39.02 -14.69 55.97 38.01 -15.27 56.68 39.24 2 0 8.84-999 ?-999 ?-999 ? ZN ZN B 128 mGLY.B 34 -12.41 55.19 38.24 -12.25 56.06 37.77 -11.25 52.99 37.85 -10.53 52.07 38.26 -11.36 54.29 38.63-999.99-999.99-999.99 1 0 11.32-999 ?-999 ?-999 ? ZN ZN B 128 mTHR.B 35 -11.95 52.92 36.72 -12.48 53.74 36.50 -10.52 51.47 35.34 -9.88 52.39 34.82 -11.91 51.72 35.90 -12.93 51.79 34.73 2 0 9.76-999 ?-999 ?-999 ? ZN ZN B 128 mARG.B 36 -10.07 50.23 35.46 -10.72 49.61 35.90 -8.69 48.29 35.05 -9.60 47.64 35.59 -8.77 49.81 34.98 -7.67 50.46 35.83 2 0 12.94-999 ?-999 ?-999 ? ZN ZN B 128 mPRO.B 37 -7.61 47.69 34.51 -6.92 48.28 34.09 -7.73 45.76 36.02 -7.28 46.42 36.96 -7.53 46.22 34.59 -6.11 45.92 34.08 3 0 15.05-999 ?-999 ?-999 ? ZN ZN B 128 mGLY.B 38 -8.42 44.64 36.20 -8.77 44.20 35.37 -9.85 44.63 38.30 -10.01 44.33 39.47 -8.63 44.13 37.54-999.99-999.99-999.99 1 0 15.25-999 ?-999 ?-999 ? ZN ZN B 128 mVAL^B 39 -10.70 45.40 37.64 -10.44 45.59 36.69 -13.10 45.55 37.39 -13.23 46.06 36.27 -11.91 45.92 38.27 -11.86 47.46 38.45 3 0 11.81-999 ?-999 ?-999 ? ZN ZN B 128 mTYR^B 40 -13.96 44.66 37.88 -13.73 44.32 38.79 -16.45 44.53 37.79 -16.68 44.12 38.92 -15.13 44.24 37.11 -15.12 42.73 36.83 3 0 10.12-999 ?-999 ?-999 ? ZN ZN B 128 mPRO^B 41 -17.34 45.28 37.13 -17.08 45.62 36.22 -19.56 44.37 37.38 -19.40 43.82 36.29 -18.61 45.51 37.81 -19.04 46.88 37.28 3 0 7.52-999 ?-999 ?-999 ? ZN ZN B 128 mARG^B 42 -20.50 44.01 38.25 -20.48 44.51 39.11 -22.85 43.53 38.21 -23.19 43.85 39.36 -21.47 42.96 37.94 -21.27 41.71 38.82 2 0 9.29-999 ?-999 ?-999 ? ZN ZN B 128 mLEU^B 43 -23.65 43.67 37.16 -23.25 43.37 36.29 -26.00 43.08 37.21 -26.07 42.35 36.23 -24.99 44.21 37.28 -25.25 45.21 36.15 3 0 8.59-999 ?-999 ?-999 ? ZN ZN B 128 mSER^B 44 -26.80 42.94 38.26 -26.66 43.59 39.00 -29.18 42.50 38.39 -29.38 43.47 39.13 -27.80 41.88 38.27 -27.51 40.92 39.43 2 0 12.13-999 ?-999 ?-999 ? ZN ZN B 128 mVAL^B 45 -30.14 41.97 37.63 -29.85 41.19 37.07 -32.45 41.73 38.52 -32.65 40.53 38.33 -31.49 42.50 37.64 -32.07 42.56 36.21 3 0 13.81-999 ?-999 ?-999 ? ZN ZN B 128 mMETB 46 -33.03 42.43 39.49 -32.77 43.39 39.52 -35.40 41.72 39.82 -36.16 40.79 40.10 -33.98 41.81 40.42 -34.00 42.60 41.73 2 0 16.85-999 ?-999 ?-999 ? ZN ZN B 128 mHIS^B 47 -35.74 42.70 38.99 -35.03 43.39 38.84 -36.99 43.58 37.10 -36.24 44.56 37.03 -37.06 42.74 38.37 -38.07 43.33 39.36 3 0 18.24-999 ?-999 ?-999 ? ZN ZN B 128 mGLY.B 48 -37.75 43.17 36.08 -38.29 42.35 36.27 -36.60 43.46 33.93 -36.36 42.27 33.75 -37.76 43.88 34.82-999.99-999.99-999.99 1 0 17.93-999 ?-999 ?-999 ? ZN ZN B 128 mALA^B 49 -35.88 44.43 33.37 -36.19 45.35 33.61 -33.89 45.37 32.27 -34.37 46.50 32.26 -34.75 44.14 32.50 -35.24 43.58 31.16 2 0 15.29-999 ?-999 ?-999 ? ZN ZN B 128 mVAL^B 50 -32.59 45.15 32.09 -32.31 44.19 32.14 -30.86 45.93 30.61 -30.55 44.77 30.34 -31.68 46.25 31.86 -30.73 46.45 33.06 3 0 11.76-999 ?-999 ?-999 ? ZN ZN B 128 mLYS^B 51 -30.54 46.97 29.85 -30.87 47.86 30.16 -28.43 47.53 28.74 -28.40 48.73 29.04 -29.75 46.77 28.66 -30.55 47.19 27.42 2 0 11.20-999 ?-999 ?-999 ? ZN ZN B 128 mTYR^B 52 -27.34 46.83 28.48 -27.51 45.86 28.30 -25.65 47.69 27.04 -26.01 46.91 26.15 -26.02 47.43 28.49 -25.00 46.48 29.14 3 0 8.62-999 ?-999 ?-999 ? ZN ZN B 128 mLEU^B 53 -24.94 48.79 26.80 -24.77 49.34 27.61 -23.02 49.56 25.60 -22.71 50.49 26.35 -24.48 49.14 25.47 -25.29 50.30 24.89 3 0 9.88-999 ?-999 ?-999 ? ZN ZN B 128 mGLY^B 54 -22.15 48.85 24.90 -22.54 48.11 24.35 -20.25 49.80 23.65 -20.78 49.51 22.58 -20.73 49.16 24.95-999.99-999.99-999.99 1 0 9.98-999 ?-999 ?-999 ? ZN ZN B 128 mTYR.B 55 -19.23 50.66 23.74 -18.88 50.79 24.67 -17.18 51.19 22.40 -16.46 51.13 23.39 -18.69 51.33 22.56 -19.05 52.82 22.59 3 0 12.37-999 ?-999 ?-999 ? ZN ZN B 128 mALA.B 56 -16.71 51.14 21.16 -17.42 51.18 20.45 -14.54 52.19 21.54 -13.44 52.02 22.07 -15.28 51.03 20.87 -15.04 51.05 19.36 2 0 15.09-999 ?-999 ?-999 ? ZN ZN B 128 mASP.B 57 -15.15 53.38 21.49 -16.01 53.38 20.99 -15.65 55.56 22.55 -16.85 55.25 22.52 -14.57 54.57 22.12 -13.57 55.26 21.18 2 0 14.60-999 ?-999 ?-999 ? ZN ZN B 128 mGLU.B 58 -15.23 56.76 22.94 -14.24 56.89 22.87 -17.14 58.33 22.40 -18.29 58.63 22.72 -16.16 57.78 23.42 -15.36 58.95 24.02 2 0 13.85-999 ?-999 ?-999 ? ZN ZN B 128 mHIS.B 59 -16.68 58.46 21.16 -15.74 58.15 21.02 -18.01 58.07 19.00 -18.55 58.53 18.00 -17.53 59.01 20.11 -16.81 60.22 19.50 3 0 16.75-999 ?-999 ?-999 ? ZN ZN B 128 mSER.B 60 -17.84 56.76 19.18 -17.40 56.51 20.04 -19.77 56.01 17.90 -20.55 56.19 18.83 -18.29 55.80 18.16 -18.06 54.36 18.63 2 0 17.26-999 ?-999 ?-999 ? ZN ZN B 128 mALA.B 61 -20.16 55.99 16.63 -19.43 55.82 15.97 -22.48 55.08 16.76 -23.59 55.35 17.23 -21.56 56.20 16.28 -21.70 56.37 14.76 2 0 18.87-999 ?-999 ?-999 ? ZN ZN B 128 mGLU.B 62 -22.01 53.85 16.64 -21.09 53.79 16.26 -22.10 51.84 18.09 -20.87 51.79 18.15 -22.80 52.68 17.04 -23.10 51.80 15.83 2 0 17.61-999 ?-999 ?-999 ? ZN ZN B 128 mPRO.B 63 -22.88 51.15 18.93 -23.87 51.27 18.81 -21.79 49.02 19.33 -22.35 48.58 18.33 -22.27 50.32 19.96 -23.41 50.10 20.94 3 0 14.69-999 ?-999 ?-999 ? ZN ZN B 128 mASP.B 64 -20.76 48.41 19.91 -20.38 48.88 20.71 -20.49 46.01 20.36 -19.89 44.94 20.25 -20.25 47.16 19.37 -18.76 47.29 19.05 2 0 15.90-999 ?-999 ?-999 ? ZN ZN B 128 mGLN^B 65 -21.37 46.25 21.33 -21.78 47.16 21.30 -23.03 45.54 22.98 -23.26 46.65 23.45 -21.68 45.24 22.33 -20.58 45.21 23.39 2 0 13.81-999 ?-999 ?-999 ? ZN ZN B 128 mVAL^B 66 -23.91 44.55 22.99 -23.58 43.70 22.58 -25.58 43.47 24.40 -25.51 42.35 23.90 -25.24 44.71 23.58 -26.32 44.88 22.48 3 0 13.50-999 ?-999 ?-999 ? ZN ZN B 128 mILE^B 67 -25.96 43.70 25.65 -25.97 44.67 25.91 -27.65 42.93 27.23 -27.75 43.89 27.98 -26.32 42.62 26.56 -25.30 42.46 27.69 3 0 12.95-999 ?-999 ?-999 ? ZN ZN B 128 mLEU^B 68 -28.66 42.12 26.96 -28.45 41.37 26.33 -30.02 41.48 28.83 -29.89 40.26 28.76 -29.95 42.34 27.58 -31.09 41.96 26.62 3 0 14.32-999 ?-999 ?-999 ? ZN ZN B 128 mILE^B 69 -30.20 42.12 29.97 -30.30 43.11 29.88 -31.66 41.34 31.83 -32.19 42.36 32.28 -30.25 41.41 31.24 -29.31 42.08 32.24 3 0 13.80-999 ?-999 ?-999 ? ZN ZN B 128 mGLU^B 70 -32.24 40.14 31.84 -31.68 39.42 31.43 -33.48 39.69 33.93 -32.41 39.43 34.48 -33.57 39.92 32.41 -34.22 38.69 31.76 2 0 16.89-999 ?-999 ?-999 ? ZN ZN B 128 mALA.B 71 -34.63 39.78 34.60 -35.42 40.01 34.03 -34.17 38.14 36.33 -34.47 37.19 35.60 -34.70 39.55 36.03 -36.14 39.66 36.51 2 0 17.89-999 ?-999 ?-999 ? ZN ZN B 128 mGLY.B 72 -33.38 38.02 37.39 -33.22 38.87 37.90 -31.53 36.45 37.04 -31.00 35.34 37.08 -32.83 36.73 37.76-999.99-999.99-999.99 1 0 17.47-999 ?-999 ?-999 ? ZN ZN D 128 mGLN^B 73 -31.01 37.47 36.36 -31.54 38.32 36.40 -28.80 38.47 35.99 -29.19 39.47 36.61 -29.75 37.33 35.64 -30.00 37.34 34.13 2 0 16.49-999 ?-999 ?-999 ? ZN ZN B 128 mPHE^B 74 -27.55 38.31 35.59 -27.37 37.44 35.13 -25.57 39.26 34.64 -25.50 38.27 33.92 -26.54 39.32 35.81 -25.80 39.08 37.15 3 0 13.32-999 ?-999 ?-999 ? ZN ZN B 128 mALA^B 75 -24.82 40.35 34.46 -24.99 41.09 35.10 -22.64 41.19 33.93 -22.82 42.19 34.63 -23.83 40.41 33.40 -24.40 41.11 32.17 2 0 11.50-999 ?-999 ?-999 ? ZN ZN B 128 mVAL^B 76 -21.44 40.71 33.63 -21.46 39.86 33.10 -19.80 42.21 32.84 -19.85 41.74 31.70 -20.22 41.36 34.04 -19.14 40.32 34.36 3 0 10.36-999 ?-999 ?-999 ? ZN ZN B 128 mPHE.B 77 -19.42 43.46 33.10 -19.44 43.71 34.07 -17.51 44.49 31.94 -16.80 44.39 32.94 -19.02 44.35 32.03 -19.63 45.75 32.22 3 0 8.11-999 ?-999 ?-999 ? ZN ZN B 128 mPRO.B 78 -17.00 44.72 30.72 -17.66 44.77 29.97 -15.05 46.18 31.13 -15.77 47.18 31.12 -15.55 44.86 30.54 -15.39 44.80 29.02 3 0 9.91-999 ?-999 ?-999 ? ZN ZN B 128 mPRO.B 79 -13.82 46.19 31.68 -13.36 45.30 31.64 -12.72 48.38 31.23 -12.53 48.01 30.07 -13.20 47.38 32.29 -12.01 46.80 33.08 3 0 9.67-999 ?-999 ?-999 ? ZN ZN B 128 mGLU.B 80 -12.51 49.62 31.63 -12.72 49.79 32.59 -12.78 50.73 29.40 -12.19 50.90 28.34 -12.01 50.65 30.72 -10.52 50.39 30.41 2 0 10.37-999 ?-999 ?-999 ? ZN ZN B 128 mLYS.B 81 -14.10 50.63 29.45 -14.49 50.51 30.36 -16.05 51.67 28.35 -16.80 51.61 29.32 -14.88 50.71 28.23 -15.42 49.32 27.85 2 0 9.28-999 ?-999 ?-999 ? ZN ZN B 128 mTRP.B 82 -16.20 52.55 27.37 -15.50 52.51 26.65 -18.62 52.72 27.21 -18.73 51.85 26.34 -17.31 53.50 27.38 -17.16 54.53 26.26 3 0 8.58-999 ?-999 ?-999 ? ZN ZN B 128 mHIS^B 83 -19.60 53.05 28.03 -19.38 53.78 28.67 -21.95 53.19 28.69 -21.67 54.25 29.26 -20.89 52.37 27.98 -20.78 51.03 28.69 3 0 -6.68-999 ?-999 ?-999 ? ZN ZN B 128s mASN^B 84 -23.17 52.66 28.67 -23.23 51.82 28.14 -25.34 52.15 29.51 -25.27 51.13 28.81 -24.31 53.27 29.34 -24.87 54.45 28.53 2 0 6.13-999 ?-999 ?-999 ? ZN ZN B 128 mILE^B 85 -26.27 52.31 30.44 -26.20 53.15 30.98 -28.66 51.94 30.42 -28.77 53.16 30.41 -27.30 51.30 30.64 -27.28 50.69 32.06 3 0 6.96-999 ?-999 ?-999 ? ZN ZN B 128 mGLU^B 86 -29.67 51.11 30.23 -29.43 50.14 30.27 -32.03 50.69 30.71 -32.03 49.47 30.50 -31.03 51.59 30.00 -31.31 51.58 28.50 2 0 10.50-999 ?-999 ?-999 ? ZN ZN B 128 mALA^B 87 -32.85 51.27 31.58 -32.70 52.25 31.70 -35.03 50.28 31.33 -35.64 51.25 30.85 -33.86 50.50 32.29 -34.33 51.24 33.52 2 0 12.55-999 ?-999 ?-999 ? ZN ZN B 128 mMETB 88 -35.35 49.03 31.05 -34.80 48.34 31.52 -37.84 49.05 30.57 -38.73 49.22 29.74 -36.42 48.71 30.11 -36.32 47.24 29.71 2 0 15.77-999 ?-999 ?-999 ? ZN ZN B 128 mTHR.B 89 -38.06 49.17 31.87 -37.25 49.01 32.44 -39.27 50.40 33.63 -38.20 50.49 34.24 -39.38 49.52 32.40 -40.19 48.27 32.79 2 0 18.06-999 ?-999 ?-999 ? ZN ZN B 128 mASP.B 90 -40.37 51.02 34.01 -41.18 50.84 33.44 -40.21 51.07 36.44 -39.52 51.49 37.38 -40.38 51.88 35.18 -41.70 52.65 35.26 2 0 18.81-999 ?-999 ?-999 ? ZN ZN B 128 mASP.B 91 -40.83 49.91 36.46 -41.34 49.70 35.63 -39.50 48.18 37.67 -39.42 47.23 38.43 -40.78 49.03 37.62 -42.02 48.13 37.63 2 0 19.61-999 ?-999 ?-999 ? ZN ZN B 128 mTHR.B 92 -38.49 48.53 36.87 -38.67 49.33 36.29 -36.33 48.28 37.99 -36.26 49.48 38.25 -37.24 47.79 36.87 -36.47 47.94 35.53 2 0 16.29-999 ?-999 ?-999 ? ZN ZN B 128 mTYR^B 93 -35.68 47.36 38.67 -35.91 46.41 38.45 -33.57 46.72 39.64 -33.76 45.56 39.28 -34.70 47.74 39.67 -35.29 47.93 41.09 3 0 14.60-999 ?-999 ?-999 ? ZN ZN B 128 mPHE^B 94 -32.37 47.18 39.96 -32.35 48.14 40.23 -30.19 46.92 40.86 -30.49 47.87 41.58 -31.20 46.34 39.91 -30.62 46.38 38.51 3 0 12.20-999 ?-999 ?-999 ? ZN ZN B 128 mASN^B 95 -28.99 46.34 40.87 -28.91 45.56 40.25 -26.63 46.34 41.06 -26.66 45.46 40.19 -27.91 46.83 41.71 -28.02 46.30 43.15 2 0 10.66-999 ?-999 ?-999 ? ZN ZN B 128 mILE^B 96 -25.51 46.92 41.46 -25.64 47.61 42.17 -23.28 46.19 42.05 -23.32 46.78 43.13 -24.23 46.55 40.92 -23.61 47.72 40.13 3 0 8.53-999 ?-999 ?-999 ? ZN ZN B 128 mASP^B 97 -22.44 45.21 41.79 -22.56 44.81 40.88 -20.13 44.83 42.00 -20.01 44.35 40.88 -21.45 44.75 42.73 -21.74 43.31 43.14 2 0 10.66-999 ?-999 ?-999 ? ZN ZN B 128 mPHE^B 98 -19.14 45.45 42.62 -19.35 45.81 43.53 -16.86 44.56 42.57 -16.82 44.37 43.78 -17.84 45.57 41.98 -17.31 47.00 42.14 3 0 10.26-999 ?-999 ?-999 ? ZN ZN B 128 mPHE^B 99 -16.09 43.91 41.71 -16.25 44.14 40.75 -13.74 43.36 41.66 -13.57 43.79 40.51 -15.11 42.93 42.15 -15.46 41.54 41.63 3 0 13.21-999 ?-999 ?-999 ? ZN ZN B 128 mVAL^B 100 -12.74 43.22 42.53 -13.00 42.82 43.41 -10.35 42.58 42.47 -10.44 41.85 43.46 -11.40 43.64 42.18 -11.04 44.91 42.97 3 0 15.00-999 ?-999 ?-999 ? ZN ZN B 128 mALA~B 101 -9.33 42.51 41.62 -9.38 43.16 40.86 -7.48 41.86 43.09 -7.34 43.03 43.46 -8.24 41.54 41.80 -7.29 41.59 40.60 2 0 15.00-999 ?-999 ?-999 ? ZN ZN C 128 mPRO~B 102 -6.97 40.83 43.78 -7.13 39.92 43.40 -4.98 41.95 44.75 -4.64 42.81 45.56 -6.24 41.12 45.01 -5.91 39.72 45.56 3 0 11.97-999 ?-999 ?-999 ? ZN ZN C 128 mGLU~B 103 -4.30 41.70 43.63 -4.70 40.98 43.06 -3.33 43.91 43.00 -2.39 44.71 42.97 -3.08 42.44 43.31 -2.35 41.80 42.13 2 0 12.05-999 ?-999 ?-999 ? ZN ZN C 128 mVAL~B 104 -4.60 44.26 42.77 -5.25 43.50 42.82 -5.48 46.35 43.72 -5.29 47.56 43.86 -4.99 45.64 42.47 -6.11 45.70 41.39 3 0 12.02-999 ?-999 ?-999 ? ZN ZN C 128 mLEU~B 105 -6.10 45.60 44.63 -6.21 44.64 44.38 -5.38 46.46 46.78 -5.35 47.44 47.53 -6.58 46.18 45.89 -7.52 45.21 46.61 3 0 9.30-999 ?-999 ?-999 ? ZN ZN C 128 mMETB 106 -4.41 45.57 46.71 -4.59 44.81 46.09 -2.05 45.71 46.47 -1.53 44.66 46.06 -3.19 45.69 47.48 -3.03 44.52 48.44 2 0 6.93-999 ?-999 ?-999 ? ZN ZN C 128 mGLU.B 107 -1.68 46.91 46.06 -2.18 47.66 46.48 0.75 46.91 45.68 1.21 47.73 46.49 -0.63 47.10 45.07 -0.75 48.49 44.45 2 0 9.08-999 ?-999 ?-999 ? ZN ZN C 128 mGLY.B 108 1.41 45.82 45.30 0.92 45.24 44.64 3.80 46.40 45.18 3.73 46.73 44.00 2.73 45.52 45.80-999.99-999.99-999.99 1 0 9.90-999 ?-999 ?-999 ? ZN ZN C 128 mALA.B 109 4.78 46.79 45.98 4.70 46.46 46.92 6.80 46.81 44.62 6.93 45.60 44.80 5.85 47.64 45.49 6.61 48.23 46.67 2 0 11.75-999 ?-999 ?-999 ? ZN ZN C 128 mGLN.B 110 7.45 47.47 43.67 7.22 48.45 43.62 9.74 47.52 42.83 9.84 48.62 43.37 8.39 46.80 42.78 7.87 46.80 41.34 2 0 15.52-999 ?-999 ?-999 ? ZN ZN C 128 mGLN.B 111 10.78 46.89 42.28 10.56 45.99 41.89 12.93 47.03 41.05 14.16 47.11 41.04 12.12 47.48 42.26 12.87 47.11 43.54 2 0 18.57-999 ?-999 ?-999 ? ZN ZN C 128 mMETC 1 -3.71 61.51 66.10 -3.42 62.31 66.63 -4.96 60.74 64.11 -5.71 61.72 64.17 -4.14 60.32 65.32 -5.00 59.41 66.18 2 0 16.83-999 ?-999 ?-999 ? ZN ZN C 128 mLEU.C 2 -4.84 59.99 63.03 -4.21 59.22 63.11 -7.04 59.84 62.03 -7.28 58.74 62.51 -5.60 60.30 61.83 -4.99 59.57 60.62 3 0 14.92-999 ?-999 ?-999 ? ZN ZN C 128 mGLN.C 3 -8.00 60.69 61.67 -7.67 61.57 61.32 -10.08 60.26 60.46 -9.71 60.97 59.52 -9.40 60.34 61.82 -10.15 61.37 62.68 2 0 16.22-999 ?-999 ?-999 ? ZN ZN C 128 mILE.C 4 -11.06 59.37 60.35 -11.23 58.84 61.18 -13.01 60.14 59.23 -13.78 60.04 60.19 -11.81 59.21 59.13 -12.31 57.78 58.99 3 0 15.53-999 ?-999 ?-999 ? ZN ZN C 128 mPRO.C 5 -13.19 61.04 58.26 -12.51 61.04 57.52 -15.62 61.24 58.65 -15.90 60.15 58.15 -14.33 61.96 58.32 -14.35 62.59 56.92 3 0 18.88-999 ?-999 ?-999 ? ZN ZN C 128 mGLN.C 6 -16.42 61.86 59.52 -16.07 62.74 59.84 -18.69 60.98 58.82 -19.63 60.21 59.02 -17.68 61.27 59.94 -18.31 62.18 61.01 2 0 19.37-999 ?-999 ?-999 ? ZN ZN A 128 mASN.C 7 -18.50 61.56 57.65 -17.68 62.14 57.58 -19.02 60.19 55.62 -19.78 59.81 54.72 -19.44 61.34 56.55 -19.63 62.63 55.75 2 0 21.07-999 ?-999 ?-999 ? ZN ZN A 128 mTYR.C 8 -17.84 59.63 55.85 -17.32 60.03 56.61 -18.21 57.26 55.23 -18.84 57.10 56.26 -17.36 58.52 55.03 -15.90 58.24 55.35 3 0 18.35-999 ?-999 ?-999 ? ZN ZN C 128 mILE^C 9 -18.23 56.40 54.22 -17.65 56.66 53.45 -18.18 53.92 54.30 -17.09 53.88 53.73 -19.03 55.18 54.25 -19.91 55.06 52.98 3 0 18.17-999 ?-999 ?-999 ? ZN ZN C 128 mHIS^C 10 -18.70 52.88 54.95 -19.60 53.05 55.36 -18.25 50.76 53.80 -19.40 50.46 53.46 -17.99 51.62 55.04 -18.43 50.87 56.29 3 0 16.11-999 ?-999 ?-999 ? ZN ZN C 128 mTHR^C 11 -17.19 50.35 53.12 -16.30 50.63 53.50 -17.11 48.07 52.09 -17.92 47.25 51.66 -17.36 49.55 51.91 -16.48 50.08 50.77 2 0 15.25-999 ?-999 ?-999 ? ZN ZN C 128 mARG^C 12 -15.99 47.70 52.71 -15.40 48.44 53.02 -14.97 46.02 54.20 -14.52 46.94 54.89 -15.70 46.29 52.91 -14.89 45.74 51.73 2 0 13.55-999 ?-999 ?-999 ? ZN ZN C 128 mSER^C 13 -14.86 44.73 54.52 -15.28 44.12 53.85 -13.45 42.99 55.38 -13.82 42.28 54.45 -14.19 44.26 55.72 -15.21 43.95 56.83 2 0 12.60-999 ?-999 ?-999 ? ZN ZN C 128 mTHR.C 14 -12.41 42.70 56.15 -12.21 43.37 56.87 -11.93 40.55 57.10 -12.44 40.98 58.14 -11.64 41.49 55.94 -10.12 41.74 55.94 2 0 11.59-999 ?-999 ?-999 ? ZN ZN C 128 mPRO.C 15 -11.66 39.25 56.92 -11.29 39.03 56.02 -10.80 38.57 59.02 -9.95 39.42 58.77 -11.88 38.26 57.98 -11.58 36.92 57.28 3 0 14.29-999 ?-999 ?-999 ? ZN ZN C 128 mPHE.C 16 -10.82 37.90 60.17 -11.59 37.27 60.28 -8.55 37.38 60.64 -8.66 36.23 60.22 -9.78 38.11 61.17 -10.19 37.53 62.52 3 0 14.40-999 ?-999 ?-999 ? ZN ZN C 128 mTRP.C 17 -7.40 38.05 60.65 -7.47 38.98 61.03 -5.00 37.47 61.14 -4.89 38.34 62.01 -6.16 37.47 60.15 -5.68 38.21 58.90 3 0 12.88-999 ?-999 ?-999 ? ZN ZN C 128 mASN.C 18 -4.11 36.50 60.97 -4.34 35.85 60.25 -1.74 36.24 60.83 -1.94 36.24 59.62 -2.91 36.41 61.80 -2.99 35.22 62.77 2 0 14.08-999 ?-999 ?-999 ? ZN ZN C 128 mLYS.C 19 -0.54 36.08 61.37 -0.52 36.10 62.37 0.42 34.90 59.41 0.80 35.15 58.27 0.64 35.92 60.53 1.84 35.46 61.38 2 0 14.14-999 ?-999 ?-999 ? ZN ZN C 128 mGLN.C 20 -0.21 33.78 59.74 -0.49 33.73 60.70 -1.62 32.88 57.82 -1.53 32.54 56.64 -0.45 32.71 58.77 -0.64 31.35 59.47 2 0 16.21-999 ?-999 ?-999 ? ZN ZN C 128 mTHR.C 21 -2.73 33.40 58.33 -2.67 33.67 59.29 -3.98 34.78 56.61 -4.58 34.73 55.53 -3.92 33.55 57.51 -5.20 33.49 58.40 2 0 15.04-999 ?-999 ?-999 ? ZN ZN C 128 mALA.C 22 -3.36 35.88 57.00 -2.89 35.83 57.88 -2.70 36.86 54.82 -1.83 36.00 54.69 -3.42 37.06 56.15 -2.84 38.26 56.86 2 0 11.28-999 ?-999 ?-999 ? ZN ZN C 128 mPRO~C 23 -3.10 37.63 53.80 -3.85 38.26 53.99 -1.00 37.96 52.76 -0.78 39.02 53.35 -2.42 37.50 52.51 -3.20 38.45 51.60 3 0 10.66-999 ?-999 ?-999 ? ZN ZN C 128 mALA~C 24 -0.04 37.14 52.35 -0.39 36.32 51.89 1.80 38.83 52.17 2.60 39.45 52.89 1.38 37.40 52.53 2.19 36.38 51.72 2 0 11.37-999 ?-999 ?-999 ? ZN ZN C 128 mGLY~C 25 1.25 39.35 51.08 0.60 38.75 50.61 1.35 41.84 51.59 1.91 42.93 51.41 1.59 40.69 50.63-999.99-999.99-999.99 1 0 8.98-999 ?-999 ?-999 ? ZN ZN C 128 mILE~C 26 0.53 41.63 52.63 0.16 40.70 52.68 1.45 43.04 54.48 1.47 44.10 55.11 0.24 42.70 53.58 -1.00 42.34 54.47 3 0 5.96-999 ?-999 ?-999 ? ZN ZN C 128 mPHE~C 27 2.44 42.15 54.51 2.29 41.35 53.94 4.79 42.97 54.52 5.88 43.18 55.04 3.64 42.35 55.33 4.09 41.01 55.92 3 0 8.37-999 ?-999 ?-999 ? ZN ZN C 128 mGLU~C 28 4.53 43.25 53.25 3.60 43.01 52.95 4.99 45.22 52.00 3.78 45.46 52.11 5.53 43.85 52.37 5.70 43.00 51.12 2 0 9.04-999 ?-999 ?-999 ? ZN ZN C 128 mARG.C 29 5.85 46.13 51.56 6.80 45.82 51.49 4.31 47.43 50.16 4.41 46.68 49.20 5.39 47.48 51.22 6.57 48.34 50.74 2 0 8.19-999 ?-999 ?-999 ? ZN ZN C 128 mHIS^C 30 3.27 48.24 50.33 3.31 48.80 51.15 1.24 49.46 49.54 1.38 50.24 50.48 2.18 48.27 49.36 1.34 47.00 49.48 3 0 -6.41-999 ?-999 ?-999 ? ZN ZN C 128s mLEU^C 31 0.29 49.57 48.62 0.33 48.87 47.91 -2.13 50.00 48.73 -2.43 49.02 48.03 -0.73 50.62 48.65 -0.67 51.48 47.39 3 0 6.07-999 ?-999 ?-999 ? ZN ZN C 128 mASP^C 32 -2.99 50.53 49.59 -2.63 51.27 50.16 -5.17 50.88 48.69 -5.26 52.10 48.87 -4.34 50.01 49.64 -4.92 50.07 51.06 2 0 -5.13-999 ?-999 ?-999 ? ZN ZN C 128s mLYS.C 33 -5.75 50.26 47.68 -5.58 49.28 47.65 -7.96 50.35 46.69 -8.17 49.28 47.26 -6.57 50.97 46.70 -5.96 50.83 45.30 2 0 8.88-999 ?-999 ?-999 ? ZN ZN C 128 mGLY.C 34 -8.89 51.04 46.04 -8.57 51.90 45.65 -10.63 50.70 44.46 -9.80 50.46 43.57 -10.25 50.55 45.92-999.99-999.99-999.99 1 0 11.55-999 ?-999 ?-999 ? ZN ZN C 128 mTHR.C 35 -11.87 51.07 44.19 -12.46 51.18 44.99 -12.03 52.77 42.58 -11.68 53.19 41.48 -12.31 51.29 42.82 -13.81 50.99 42.64 2 0 12.41-999 ?-999 ?-999 ? ZN ZN B 128 mARG.C 36 -12.18 53.54 43.65 -12.45 53.04 44.47 -10.75 55.32 44.52 -10.19 54.45 45.19 -11.96 54.98 43.63 -13.22 55.70 44.13 2 0 13.63-999 ?-999 ?-999 ? ZN ZN B 128 mPRO.C 37 -10.31 56.59 44.51 -10.81 57.22 43.91 -9.59 57.43 46.73 -10.77 57.53 47.03 -9.17 56.96 45.34 -8.51 58.11 44.56 3 0 14.14-999 ?-999 ?-999 ? ZN ZN C 128 mGLY.C 38 -8.59 57.72 47.57 -7.68 57.58 47.19 -9.56 57.25 49.87 -10.35 57.69 50.72 -8.85 58.20 48.91-999.99-999.99-999.99 1 0 13.07-999 ?-999 ?-999 ? ZN ZN C 128 mVAL.C 39 -9.28 55.96 49.75 -8.65 55.73 49.01 -9.07 54.97 51.94 -7.84 54.97 51.90 -9.88 54.97 50.64 -9.84 53.55 50.04 3 0 10.76-999 ?-999 ?-999 ? ZN ZN C 128 mTYR^C 40 -9.77 54.99 53.06 -10.76 55.00 52.94 -9.22 53.58 54.98 -10.32 53.06 55.19 -9.12 54.97 54.37 -9.80 55.95 55.34 3 0 9.71-999 ?-999 ?-999 ? ZN ZN C 128 mPRO^C 41 -8.06 52.94 55.24 -7.22 53.42 55.00 -8.10 51.80 57.37 -7.44 52.72 57.88 -8.13 51.61 55.85 -6.87 50.92 55.32 3 0 7.08-999 ?-999 ?-999 ? ZN ZN C 128 mARG^C 42 -8.83 50.95 58.08 -9.35 50.28 57.54 -8.51 49.63 60.04 -9.31 48.70 59.92 -8.85 51.01 59.53 -10.22 51.43 60.05 2 0 9.10-999 ?-999 ?-999 ? ZN ZN C 128 mLEU^C 43 -7.32 49.49 60.61 -6.78 50.32 60.65 -7.16 48.10 62.61 -6.69 48.93 63.39 -6.89 48.20 61.12 -5.40 48.02 60.83 3 0 8.52-999 ?-999 ?-999 ? ZN ZN C 128 mSER^C 44 -7.93 47.10 63.01 -8.28 46.51 62.28 -7.58 45.65 64.96 -7.78 44.56 64.42 -8.23 46.92 64.43 -9.74 46.85 64.66 2 0 12.10-999 ?-999 ?-999 ? ZN ZN C 128 mVAL^C 45 -6.80 45.77 66.03 -6.70 46.70 66.39 -7.00 44.02 67.75 -7.24 44.66 68.78 -6.16 44.59 66.61 -4.72 44.89 67.08 3 0 13.69-999 ?-999 ?-999 ? ZN ZN C 128 mMETC 46 -7.45 42.78 67.55 -7.17 42.38 66.68 -7.46 41.42 69.65 -7.98 41.17 70.74 -8.28 42.10 68.53 -9.16 41.08 67.79 2 0 16.86-999 ?-999 ?-999 ? ZN ZN C 128 mHIS^C 47 -6.19 41.12 69.37 -5.91 41.40 68.45 -3.83 40.61 69.90 -3.52 40.56 68.71 -5.29 40.45 70.33 -5.64 38.96 70.42 3 0 18.32-999 ?-999 ?-999 ? ZN ZN C 128 mGLY.C 48 -2.95 40.80 70.88 -3.34 40.79 71.80 -1.28 42.44 70.21 -1.88 43.36 70.76 -1.53 40.99 70.60-999.99-999.99-999.99 1 0 18.12-999 ?-999 ?-999 ? ZN ZN C 128 mALA^C 49 -0.40 42.65 69.24 0.02 41.82 68.88 0.30 43.96 67.31 0.80 42.94 66.82 -0.09 43.99 68.78 1.05 44.60 69.61 2 0 15.55-999 ?-999 ?-999 ? ZN ZN C 128 mVAL^C 50 0.06 45.07 66.62 -0.37 45.79 67.17 1.11 46.57 64.99 0.72 47.60 65.54 0.39 45.23 65.20 -0.89 45.21 64.31 3 0 11.93-999 ?-999 ?-999 ? ZN ZN C 128 mLYS^C 51 2.16 46.55 64.18 2.36 45.65 63.79 2.69 48.21 62.47 2.71 47.40 61.54 2.93 47.75 63.91 4.42 47.43 64.08 2 0 11.27-999 ?-999 ?-999 ? ZN ZN C 128 mTYR^C 52 2.45 49.51 62.29 2.42 50.05 63.13 3.57 50.78 60.60 4.16 51.47 61.45 2.27 50.06 60.96 1.11 51.06 60.95 3 0 8.62-999 ?-999 ?-999 ? ZN ZN C 128 mLEU^C 53 4.01 50.59 59.37 3.44 49.98 58.81 4.91 51.94 57.57 4.64 51.30 56.56 5.23 51.23 58.88 6.33 50.19 58.65 3 0 9.56-999 ?-999 ?-999 ? ZN ZN C 128 mGLY^C 54 4.92 53.27 57.61 5.14 53.68 58.50 5.91 54.63 55.85 6.86 54.92 56.58 4.64 54.04 56.42-999.99-999.99-999.99 1 0 9.49-999 ?-999 ?-999 ? ZN ZN C 128 mTYR.C 55 5.95 54.81 54.53 5.11 54.54 54.05 6.84 56.62 53.07 5.67 56.93 52.78 7.13 55.35 53.88 7.76 54.27 52.98 3 0 11.92-999 ?-999 ?-999 ? ZN ZN C 128 mALA.C 56 7.90 57.35 52.70 8.79 56.97 52.99 7.26 58.27 50.54 6.41 58.98 50.00 7.75 58.58 51.94 9.07 59.36 51.88 2 0 14.69-999 ?-999 ?-999 ? ZN ZN C 128 mASP.C 57 7.81 57.21 49.96 8.49 56.74 50.51 7.61 55.32 48.44 7.92 54.60 49.40 7.40 56.81 48.63 8.18 57.58 47.56 2 0 14.10-999 ?-999 ?-999 ? ZN ZN C 128 mGLU.C 58 7.47 54.85 47.21 7.25 55.55 46.53 9.01 52.86 47.13 9.16 51.66 47.30 7.61 53.43 46.90 7.16 53.19 45.45 2 0 13.29-999 ?-999 ?-999 ? ZN ZN C 128 mHIS.C 59 10.04 53.71 47.16 9.81 54.68 47.08 12.22 53.65 48.49 13.30 53.12 48.72 11.38 53.18 47.31 12.16 53.42 46.02 3 0 16.04-999 ?-999 ?-999 ? ZN ZN C 128 mSER.C 60 11.76 54.65 49.25 10.87 55.02 48.98 12.95 53.92 51.28 12.15 53.01 51.51 12.55 55.11 50.39 11.79 56.18 51.17 2 0 16.82-999 ?-999 ?-999 ? ZN ZN C 128 mALA.C 61 14.17 53.92 51.78 14.69 54.75 51.56 14.17 52.61 53.99 14.03 51.48 54.45 14.70 52.81 52.57 16.23 52.88 52.61 2 0 17.71-999 ?-999 ?-999 ? ZN ZN C 128 mGLU.C 62 13.88 53.70 54.69 14.04 54.57 54.22 12.02 54.22 56.20 11.67 55.13 55.47 13.39 53.58 56.05 14.37 54.22 57.03 2 0 16.77-999 ?-999 ?-999 ? ZN ZN C 128 mPRO.C 63 11.21 53.73 57.15 11.58 52.97 57.69 9.97 55.76 57.84 10.93 56.13 58.51 9.89 54.32 57.33 9.23 53.38 58.34 3 0 14.12-999 ?-999 ?-999 ? ZN ZN C 128 mASP.C 64 8.97 56.56 57.50 8.27 56.14 56.92 7.75 58.12 58.93 7.36 59.23 59.26 8.91 57.96 57.94 8.74 58.91 56.74 2 0 15.49-999 ?-999 ?-999 ? ZN ZN C 128 mGLN^C 65 7.20 56.99 59.38 7.61 56.16 59.01 5.86 55.58 60.87 5.75 54.63 60.09 6.09 56.99 60.34 4.80 57.48 59.68 2 0 13.83-999 ?-999 ?-999 ? ZN ZN C 128 mVAL^C 66 5.80 55.45 62.20 5.92 56.31 62.70 4.49 54.28 63.91 4.56 55.15 64.79 5.57 54.16 62.85 6.85 53.63 63.52 3 0 13.37-999 ?-999 ?-999 ? ZN ZN C 128 mILE^C 67 3.50 53.41 63.82 3.59 52.78 63.05 2.21 51.97 65.32 2.01 51.01 64.57 2.38 53.38 64.75 1.05 53.75 64.07 3 0 12.93-999 ?-999 ?-999 ? ZN ZN C 128 mLEU^C 68 2.30 51.84 66.64 2.49 52.70 67.12 0.65 50.51 67.77 0.17 51.44 68.43 2.12 50.56 67.32 3.04 50.46 68.55 3 0 14.32-999 ?-999 ?-999 ? ZN ZN C 128 mILE^C 69 -0.04 49.42 67.42 0.51 48.75 66.91 -1.63 48.01 68.63 -1.34 46.89 68.22 -1.45 49.23 67.74 -2.26 49.00 66.44 3 0 13.88-999 ?-999 ?-999 ? ZN ZN C 128 mGLU^C 70 -2.13 48.23 69.84 -2.36 49.18 70.02 -3.78 46.65 70.80 -4.67 47.32 70.27 -2.33 47.15 70.81 -1.95 47.65 72.21 2 0 16.90-999 ?-999 ?-999 ? ZN ZN C 128 mALA.C 71 -4.02 45.48 71.38 -3.22 45.04 71.78 -6.38 45.89 72.05 -6.15 46.40 73.15 -5.38 44.92 71.40 -5.39 43.57 72.14 2 0 18.01-999 ?-999 ?-999 ? ZN ZN C 128 mGLY.C 72 -7.49 46.12 71.36 -7.56 45.65 70.48 -8.32 48.38 71.28 -9.01 49.32 71.66 -8.50 47.01 71.89-999.99-999.99-999.99 1 0 17.57-999 ?-999 ?-999 ? ZN ZN A 128 mGLN^C 73 -7.39 48.49 70.35 -6.89 47.65 70.15 -7.20 49.58 68.18 -7.11 48.46 67.68 -7.16 49.77 69.68 -5.78 50.34 70.02 2 0 16.56-999 ?-999 ?-999 ? ZN ZN C 128 mPHE^C 74 -7.32 50.71 67.48 -7.41 51.54 68.03 -6.55 51.93 65.55 -6.33 52.87 66.30 -7.32 50.71 66.03 -8.74 50.73 65.49 3 0 13.36-999 ?-999 ?-999 ? ZN ZN C 128 mALA^C 75 -6.16 51.90 64.29 -6.38 51.05 63.81 -5.89 53.11 62.23 -6.02 52.09 61.54 -5.45 53.01 63.68 -3.95 52.79 63.75 2 0 11.37-999 ?-999 ?-999 ? ZN ZN C 128 mVAL^C 76 -6.17 54.33 61.77 -6.10 55.08 62.43 -5.26 54.87 59.63 -4.46 55.65 60.14 -6.55 54.49 60.37 -7.64 55.59 60.17 3 0 10.03-999 ?-999 ?-999 ? ZN ZN C 128 mPHE.C 77 -5.05 54.30 58.45 -5.78 53.69 58.14 -3.96 55.67 56.65 -4.99 55.78 55.99 -3.83 54.56 57.70 -3.33 53.28 57.00 3 0 7.66-999 ?-999 ?-999 ? ZN ZN C 128 mPRO.C 78 -2.91 56.50 56.50 -2.13 56.32 57.10 -3.23 57.01 54.12 -2.54 56.09 53.67 -2.97 57.58 55.51 -1.59 58.22 55.63 3 0 9.66-999 ?-999 ?-999 ? ZN ZN C 128 mPRO.C 79 -4.24 57.53 53.42 -4.73 58.26 53.88 -3.45 57.28 51.07 -2.67 58.21 51.21 -4.58 57.05 52.07 -5.81 57.87 51.71 3 0 9.45-999 ?-999 ?-999 ? ZN ZN C 128 mGLU.C 80 -3.37 56.41 50.06 -4.05 55.68 50.10 -0.94 56.65 49.54 -0.10 57.30 48.93 -2.37 56.54 49.01 -2.67 57.78 48.15 2 0 9.80-999 ?-999 ?-999 ? ZN ZN C 128 mLYS.C 81 -0.68 56.04 50.69 -1.45 55.55 51.09 1.23 54.67 51.37 0.59 53.77 51.91 0.65 56.08 51.29 0.57 56.70 52.68 2 0 8.95-999 ?-999 ?-999 ? ZN ZN C 128 mTRP.C 82 2.42 54.47 50.81 2.82 55.28 50.38 3.34 52.71 52.28 3.77 53.52 53.10 3.07 53.16 50.84 4.39 53.19 50.06 3 0 8.03-999 ?-999 ?-999 ? ZN ZN C 128 mHIS^C 83 3.10 51.43 52.57 2.76 50.89 51.80 3.23 49.37 53.96 2.95 48.70 52.96 3.32 50.89 53.91 2.26 51.43 54.89 3 0 -6.30-999 ?-999 ?-999 ? ZN ZN C 128s mASN^C 84 3.45 48.84 55.15 3.71 49.51 55.84 3.09 47.29 56.90 3.36 48.23 57.66 3.34 47.41 55.41 4.63 46.66 55.03 2 0 5.88-999 ?-999 ?-999 ? ZN ZN C 128 mILE^C 85 2.55 46.16 57.33 2.34 45.49 56.61 3.19 44.83 59.22 3.83 44.13 58.43 2.30 45.96 58.74 0.84 45.59 59.02 3 0 6.99-999 ?-999 ?-999 ? ZN ZN C 128 mGLU^C 86 3.20 44.63 60.53 2.61 45.25 61.05 3.30 43.13 62.42 2.90 43.94 63.26 4.01 43.60 61.15 5.37 44.22 61.50 2 0 10.58-999 ?-999 ?-999 ? ZN ZN C 128 mALA^C 87 3.11 41.81 62.53 3.44 41.28 61.75 3.58 41.06 64.77 4.64 40.51 64.48 2.48 41.23 63.72 1.86 39.89 63.37 2 0 12.86-999 ?-999 ?-999 ? ZN ZN C 128 mMETC 88 3.32 41.53 65.99 2.41 41.92 66.11 4.45 40.09 67.76 5.49 39.78 68.35 4.33 41.44 67.05 4.10 42.58 68.05 2 0 16.12-999 ?-999 ?-999 ? ZN ZN C 128 mTHR.C 89 3.39 39.29 67.72 2.60 39.67 67.23 2.72 36.99 67.40 2.05 37.39 66.44 3.40 37.97 68.34 2.65 37.96 69.70 2 0 18.50-999 ?-999 ?-999 ? ZN ZN C 128 mASP.C 90 2.89 35.70 67.67 3.46 35.52 68.47 0.79 34.58 67.08 0.04 34.13 66.21 2.29 34.66 66.85 2.93 33.32 67.19 2 0 19.18-999 ?-999 ?-999 ? ZN ZN C 128 mASP.C 91 0.34 35.03 68.25 1.07 35.38 68.85 -1.87 36.23 68.17 -3.10 36.25 68.26 -1.07 35.01 68.63 -1.22 34.88 70.14 2 0 19.70-999 ?-999 ?-999 ? ZN ZN C 128 mTHR.C 92 -1.16 37.25 67.70 -0.17 37.11 67.70 -2.74 38.18 66.07 -2.39 37.46 65.15 -1.81 38.46 67.24 -0.77 39.49 66.75 2 0 16.42-999 ?-999 ?-999 ? ZN ZN C 128 mTYR^C 93 -3.95 38.72 66.14 -4.16 39.19 67.00 -5.64 39.93 64.96 -5.83 40.61 65.97 -4.86 38.62 65.01 -5.75 37.36 65.08 3 0 14.79-999 ?-999 ?-999 ? ZN ZN C 128 mPHE^C 94 -6.06 40.31 63.76 -5.88 39.65 63.03 -7.60 41.51 62.32 -7.61 40.50 61.64 -6.72 41.59 63.56 -5.65 42.63 63.28 3 0 12.41-999 ?-999 ?-999 ? ZN ZN C 128 mASN^C 95 -8.32 42.59 62.03 -8.26 43.33 62.70 -9.05 44.08 60.30 -8.67 45.00 61.03 -9.13 42.66 60.82 -10.59 42.26 61.06 2 0 11.09-999 ?-999 ?-999 ? ZN ZN C 128 mILE^C 96 -9.42 44.28 59.04 -9.72 43.46 58.55 -10.66 46.02 57.79 -11.23 45.26 57.01 -9.36 45.61 58.47 -8.23 45.72 57.44 3 0 8.74-999 ?-999 ?-999 ? ZN ZN C 128 mASP^C 97 -11.10 47.24 58.10 -10.53 47.71 58.77 -11.88 49.00 56.63 -10.97 49.75 56.99 -12.31 47.83 57.52 -13.22 48.33 58.62 2 0 10.62-999 ?-999 ?-999 ? ZN ZN C 128 mPHE^C 98 -12.52 49.16 55.48 -13.23 48.49 55.30 -13.33 51.22 54.40 -14.49 50.80 54.30 -12.18 50.25 54.56 -11.77 49.69 53.20 3 0 10.12-999 ?-999 ?-999 ? ZN ZN C 128 mPHE^C 99 -13.02 52.51 54.38 -12.04 52.69 54.46 -13.79 54.49 53.08 -12.65 54.89 52.82 -14.04 53.54 54.24 -14.15 54.35 55.54 3 0 12.95-999 ?-999 ?-999 ? ZN ZN C 128 mVAL^C 100 -14.86 54.87 52.38 -15.73 54.49 52.70 -15.65 56.99 51.37 -16.68 56.95 52.05 -14.73 55.78 51.25 -15.04 55.05 49.91 3 0 14.86-999 ?-999 ?-999 ? ZN ZN C 128 mALA.C 101 -15.27 58.07 50.69 -14.42 57.95 50.18 -17.43 59.13 50.09 -17.63 58.28 49.22 -16.04 59.31 50.70 -15.27 60.39 49.94 2 0 18.04-999 ?-999 ?-999 ? ZN ZN C 128 mPRO.C 102 -18.41 59.94 50.52 -18.14 60.60 51.22 -19.94 60.67 48.72 -19.19 61.63 48.49 -19.76 59.82 49.98 -20.62 60.32 51.13 3 0 17.54-999 ?-999 ?-999 ? ZN ZN B 128 mGLU.C 103 -20.93 60.31 47.91 -21.43 59.51 48.21 -22.52 61.85 46.84 -23.57 61.29 47.18 -21.22 61.05 46.68 -21.35 60.09 45.50 2 0 15.35-999 ?-999 ?-999 ? ZN ZN B 128 mVAL.C 104 -22.46 63.15 46.60 -21.55 63.48 46.34 -23.97 64.57 45.33 -23.30 65.48 44.85 -23.64 64.00 46.71 -23.41 65.17 47.70 3 0 17.46-999 ?-999 ?-999 ? ZN ZN B 128 mLEU.C 105 -25.02 64.02 44.72 -25.46 63.30 45.25 -26.62 65.43 43.52 -27.60 65.17 44.22 -25.46 64.44 43.40 -25.91 63.21 42.61 3 0 16.04-999 ?-999 ?-999 ? ZN ZN B 128 mMETC 106 -26.51 66.57 42.84 -25.66 66.67 42.32 -28.79 66.97 42.14 -28.64 66.29 41.13 -27.59 67.55 42.87 -27.15 68.86 42.19 2 0 18.94-999 ?-999 ?-999 ? ZN ZN B 128 mGLU.C 107 -29.98 67.21 42.67 -29.97 67.76 43.51 -32.13 67.83 41.65 -31.89 68.99 42.00 -31.19 66.70 42.05 -31.90 65.72 43.00 2 0 19.38-999 ?-999 ?-999 ? ZN ZN B 128 mGLY.C 108 -33.17 67.49 40.91 -33.23 66.52 40.69 -35.45 68.26 41.19 -35.58 67.35 42.01 -34.13 68.48 40.48-999.99-999.99-999.99 1 0 21.83-999 ?-999 ?-999 ? ZN ZN B 128 mALA.C 109 -36.43 69.11 40.88 -36.18 69.80 40.20 -38.61 67.95 40.83 -39.48 67.36 41.47 -37.74 69.01 41.50 -38.42 70.37 41.44 2 0 24.73-999 ?-999 ?-999 ? ZN ZN B 128 mGLN.C 110 -38.38 67.71 39.54 -37.64 68.26 39.15 -38.39 65.42 38.61 -37.19 65.33 38.89 -39.15 66.72 38.79 -39.49 67.27 37.39 2 0 23.55-999 ?-999 ?-999 ? ZN ZN B 128 mGLN.C 111 -39.11 64.40 38.15 -40.08 64.61 38.01 -38.05 63.15 36.44 -38.48 64.01 35.67 -38.51 63.11 37.88 -39.54 62.00 38.07 2 0 20.73-999 ?-999 ?-999 ? ZN ZN B 128 mARG.C 112 -37.19 62.21 36.06 -36.93 61.56 36.79 -37.68 61.39 33.82 -37.90 60.19 34.00 -36.68 62.14 34.70 -35.34 61.42 34.68 2 0 18.41-999 ?-999 ?-999 ? ZN ZN B 128 mLYS.C 113 -38.28 62.10 32.86 -38.00 63.05 32.81 -38.69 60.35 31.14 -39.13 59.20 31.26 -39.27 61.49 31.97 -39.87 62.56 31.04 2 0 20.43-999 ?-999 ?-999 ? ZN ZN B 128 mMETD 1 -40.63 33.59 40.02 -41.51 33.32 39.63 -39.52 34.75 41.91 -40.42 35.58 42.03 -39.32 33.99 40.60 -38.55 34.89 39.63 2 0 17.29-999 ?-999 ?-999 ? ZN ZN D 128 mLEU.D 2 -38.68 34.44 42.90 -38.03 33.72 42.68 -37.84 36.35 44.04 -36.73 36.23 43.53 -38.75 35.13 44.18 -38.22 34.22 45.30 3 0 15.09-999 ?-999 ?-999 ? ZN ZN D 128 mGLN.D 3 -38.30 37.51 44.48 -39.22 37.49 44.88 -37.24 39.37 45.70 -38.02 39.21 46.63 -37.47 38.70 44.36 -38.11 39.71 43.40 2 0 16.07-999 ?-999 ?-999 ? ZN ZN D 128 mILE.D 4 -36.14 40.11 45.80 -35.57 40.12 44.97 -36.44 42.22 46.85 -36.26 42.86 45.81 -35.81 40.84 47.01 -34.28 41.00 47.17 3 0 15.53-999 ?-999 ?-999 ? ZN ZN D 128 mPRO.D 5 -37.21 42.68 47.85 -37.30 42.06 48.63 -36.82 45.10 47.51 -35.72 45.08 48.07 -37.85 43.99 47.76 -38.54 44.13 49.12 3 0 18.90-999 ?-999 ?-999 ? ZN ZN D 128 mGLN.D 6 -37.20 46.06 46.68 -38.13 45.96 46.33 -35.72 47.96 47.47 -34.64 48.53 47.33 -36.31 47.15 46.31 -37.02 48.10 45.35 2 0 19.35-999 ?-999 ?-999 ? ZN ZN B 128 mASN.D 7 -36.42 48.00 48.60 -37.26 47.47 48.59 -34.99 48.06 50.70 -34.62 48.62 51.74 -35.94 48.78 49.74 -37.13 49.32 50.54 2 0 21.08-999 ?-999 ?-999 ? ZN ZN B 128 mTYR.D 8 -34.58 46.83 50.37 -34.94 46.48 49.51 -32.23 46.59 51.06 -31.87 47.13 50.02 -33.66 46.11 51.24 -33.76 44.61 50.96 3 0 18.45-999 ?-999 ?-999 ? ZN ZN D 128 mILE^D 9 -31.41 46.39 52.10 -31.84 45.92 52.87 -29.03 45.66 52.09 -29.24 44.67 52.78 -30.03 46.83 52.08 -29.74 47.75 53.29 3 0 18.35-999 ?-999 ?-999 ? ZN ZN D 128 mHIS^D 10 -27.96 45.80 51.32 -27.93 46.66 50.81 -26.08 44.79 52.51 -25.58 45.84 52.90 -26.93 44.77 51.24 -26.05 45.03 50.01 3 0 16.24-999 ?-999 ?-999 ? ZN ZN D 128 mTHR^D 11 -25.91 43.64 53.15 -26.34 42.85 52.72 -23.82 42.88 54.31 -22.85 43.29 54.95 -25.16 43.60 54.40 -25.97 42.92 55.51 2 0 15.37-999 ?-999 ?-999 ? ZN ZN D 128 mARG^D 12 -23.77 41.80 53.54 -24.61 41.59 53.04 -22.45 40.21 52.15 -23.46 39.93 51.50 -22.54 41.02 53.44 -22.48 40.08 54.65 2 0 13.56-999 ?-999 ?-999 ? ZN ZN D 128 mSER^D 13 -21.22 39.84 51.79 -20.51 40.15 52.42 -19.89 38.01 50.96 -19.02 38.26 51.79 -20.94 39.05 50.60 -20.38 39.94 49.48 2 0 12.69-999 ?-999 ?-999 ? ZN ZN D 128 mTHR.D 14 -19.98 36.84 50.35 -20.75 36.74 49.72 -18.02 35.88 49.44 -18.34 36.45 48.40 -18.99 35.81 50.60 -19.59 34.39 50.59 2 0 11.62-999 ?-999 ?-999 ? ZN ZN D 128 mPRO.D 15 -16.80 35.34 49.61 -16.60 34.94 50.50 -16.39 34.31 47.51 -17.40 33.66 47.78 -15.89 35.38 48.47 -14.54 35.03 49.09 3 0 14.37-999 ?-999 ?-999 ? ZN ZN D 128 mPHE.D 16 -15.71 34.12 46.38 -14.92 34.72 46.24 -15.77 31.73 46.03 -14.66 31.56 46.52 -16.15 33.08 45.44 -15.49 33.28 44.07 3 0 14.40-999 ?-999 ?-999 ? ZN ZN D 128 mTRP.D 17 -16.71 30.79 45.99 -17.57 31.07 45.57 -16.77 28.34 45.53 -17.55 28.52 44.60 -16.46 29.45 46.53 -17.33 29.18 47.75 3 0 12.92-999 ?-999 ?-999 ? ZN ZN D 128 mASN.D 18 -16.15 27.18 45.76 -15.51 27.20 46.53 -16.58 24.83 45.92 -16.57 25.03 47.14 -16.39 26.00 44.95 -15.23 25.74 43.96 2 0 13.99-999 ?-999 ?-999 ? ZN ZN D 128 mLYS.D 19 -16.76 23.61 45.41 -16.74 23.58 44.41 -15.94 22.30 47.40 -16.25 21.74 48.45 -16.96 22.44 46.27 -16.95 21.15 45.45 2 0 14.00-999 ?-999 ?-999 ? ZN ZN D 128 mGLN.D 20 -14.72 22.80 47.18 -14.59 23.25 46.30 -13.50 23.85 49.15 -13.29 23.66 50.35 -13.70 22.65 48.21 -12.36 22.26 47.58 2 0 15.98-999 ?-999 ?-999 ? ZN ZN D 128 mTHR.D 21 -13.56 25.06 48.61 -13.75 25.07 47.63 -14.58 26.69 50.21 -14.47 27.40 51.20 -13.35 26.27 49.41 -12.94 27.47 48.52 2 0 15.06-999 ?-999 ?-999 ? ZN ZN D 128 mALA.D 22 -15.76 26.25 49.78 -15.73 25.66 48.97 -17.01 26.00 51.89 -16.32 25.02 52.16 -16.97 26.63 50.50 -18.20 26.22 49.69 2 0 11.30-999 ?-999 ?-999 ? ZN ZN D 128 mPRO~D 23 -17.81 26.58 52.81 -18.30 27.40 52.51 -18.67 24.70 53.95 -19.74 24.72 53.33 -17.89 26.00 54.15 -18.69 27.03 54.94 3 0 10.51-999 ?-999 ?-999 ? ZN ZN D 128 mALA~D 24 -18.15 23.58 54.44 -17.28 23.72 54.93 -20.29 22.28 54.59 -21.10 21.74 53.83 -18.79 22.28 54.28 -18.09 21.25 55.14 2 0 11.25-999 ?-999 ?-999 ? ZN ZN D 128 mGLY~D 25 -20.65 22.89 55.72 -19.90 23.30 56.24 -23.05 23.45 55.12 -24.26 23.27 55.31 -22.04 22.93 56.13-999.99-999.99-999.99 1 0 8.97-999 ?-999 ?-999 ? ZN ZN D 128 mILE~D 26 -22.59 24.09 54.06 -21.59 24.15 54.00 -24.08 23.58 52.13 -25.15 23.76 51.54 -23.50 24.65 53.06 -22.80 25.75 52.22 3 0 5.97-999 ?-999 ?-999 ? ZN ZN D 128 mPHE~D 27 -23.37 22.47 52.00 -22.52 22.45 52.52 -24.73 20.46 51.96 -25.32 19.53 51.43 -23.83 21.38 51.15 -22.63 20.61 50.61 3 0 8.40-999 ?-999 ?-999 ? ZN ZN D 128 mGLU.D 28 -24.83 20.73 53.26 -24.27 21.50 53.56 -26.93 20.80 54.43 -26.91 22.02 54.26 -25.70 19.95 54.14 -24.99 19.59 55.46 2 0 9.10-999 ?-999 ?-999 ? ZN ZN D 128 mARG.D 29 -28.00 20.16 54.87 -27.88 19.17 54.98 -29.06 21.87 56.30 -28.53 21.54 57.36 -29.24 20.86 55.17 -30.33 19.84 55.49 2 0 8.32-999 ?-999 ?-999 ? ZN ZN D 128 mHIS^D 30 -29.50 23.10 56.06 -29.93 23.24 55.17 -30.26 25.33 56.87 -31.09 25.38 55.96 -29.34 24.14 57.06 -27.91 24.65 57.02 3 0 -6.59-999 ?-999 ?-999 ? ZN ZN D 128s mLEU^D 31 -30.07 26.32 57.75 -29.35 26.13 58.41 -29.91 28.77 57.81 -28.97 28.80 58.61 -30.84 27.54 57.74 -31.76 27.53 58.96 3 0 6.16-999 ?-999 ?-999 ? ZN ZN D 128 mASP^D 32 -30.15 29.75 56.94 -30.90 29.56 56.31 -30.10 31.92 57.89 -31.28 32.23 57.67 -29.37 30.99 56.93 -29.32 31.61 55.53 2 0 -5.30-999 ?-999 ?-999 ? ZN ZN D 128s mLYS.D 33 -29.43 32.38 58.94 -28.46 32.12 58.98 -29.75 34.69 60.01 -30.62 35.55 59.88 -30.11 33.22 59.92 -29.96 32.60 61.31 2 0 9.06-999 ?-999 ?-999 ? ZN ZN D 128 mGLY.D 34 -28.47 34.99 60.24 -27.85 34.22 60.32 -28.61 36.98 61.68 -29.40 36.34 62.37 -28.08 36.39 60.37-999.99-999.99-999.99 1 0 11.12-999 ?-999 ?-999 ? ZN ZN D 128 mTHR.D 35 -28.18 38.20 62.02 -27.56 38.61 61.35 -30.12 39.08 63.39 -30.66 39.02 64.50 -28.60 38.86 63.25 -27.90 40.22 63.42 2 0 13.33-999 ?-999 ?-999 ? ZN ZN A 128 mARG.D 36 -30.81 39.33 62.28 -30.26 39.34 61.44 -33.02 38.55 61.46 -32.51 38.07 60.44 -32.25 39.56 62.32 -32.58 40.95 61.80 2 0 14.64-999 ?-999 ?-999 ? ZN ZN A 128 mPRO.D 37 -34.25 38.21 61.85 -34.59 38.64 62.70 -35.43 37.95 59.73 -35.46 39.18 59.66 -35.01 37.26 61.03 -36.19 36.89 61.93 3 0 14.11-999 ?-999 ?-999 ? ZN ZN D 128 mGLY.D 38 -35.73 37.16 58.71 -35.63 36.18 58.88 -35.07 37.97 56.40 -35.37 38.47 55.31 -36.16 37.72 57.44-999.99-999.99-999.99 1 0 13.27-999 ?-999 ?-999 ? ZN ZN D 128 mVAL.D 39 -33.82 37.64 56.72 -33.72 37.24 57.63 -32.88 37.06 54.50 -33.40 35.94 54.50 -32.71 37.84 55.80 -31.36 37.43 56.43 3 0 10.93-999 ?-999 ?-999 ? ZN ZN D 128 mTYR^D 40 -32.42 37.65 53.40 -32.01 38.55 53.57 -31.17 36.69 51.47 -30.31 37.57 51.31 -32.53 37.04 52.08 -33.22 38.00 51.12 3 0 9.62-999 ?-999 ?-999 ? ZN ZN D 128 mPRO^D 41 -30.94 35.41 51.15 -31.67 34.76 51.34 -29.83 35.13 49.03 -30.88 34.72 48.52 -29.64 35.09 50.54 -29.35 33.67 51.03 3 0 6.97-999 ?-999 ?-999 ? ZN ZN D 128 mARG^D 42 -28.83 35.62 48.31 -28.05 35.96 48.84 -27.66 34.99 46.28 -26.58 35.58 46.28 -28.91 35.66 46.85 -29.01 37.09 46.33 2 0 9.04-999 ?-999 ?-999 ? ZN ZN D 128 mLEU^D 43 -27.81 33.76 45.79 -28.74 33.40 45.84 -26.57 33.21 43.73 -27.53 32.95 42.99 -26.67 33.03 45.24 -26.78 31.53 45.59 3 0 8.53-999 ?-999 ?-999 ? ZN ZN D 128 mSER^D 44 -25.41 33.67 43.27 -24.72 33.85 43.97 -24.06 32.99 41.37 -22.99 32.94 41.98 -25.20 33.87 41.85 -24.91 35.35 41.56 2 0 12.13-999 ?-999 ?-999 ? ZN ZN D 128 mVAL^D 45 -24.28 32.28 40.27 -25.19 32.42 39.86 -22.44 32.05 38.68 -22.95 32.47 37.64 -23.29 31.37 39.73 -23.96 30.15 39.12 3 0 13.80-999 ?-999 ?-999 ? ZN ZN D 128 mMETD 46 -21.14 32.13 38.94 -20.86 31.73 39.81 -19.72 31.79 36.96 -19.35 32.19 35.85 -20.22 32.77 38.01 -19.03 33.37 38.77 2 0 16.87-999 ?-999 ?-999 ? ZN ZN D 128 mHIS^D 47 -19.72 30.50 37.31 -20.04 30.34 38.25 -19.81 28.05 36.84 -19.88 27.73 38.03 -19.27 29.43 36.42 -17.74 29.38 36.37 3 0 18.22-999 ?-999 ?-999 ? ZN ZN D 128 mGLY.D 48 -20.16 27.23 35.85 -20.03 27.58 34.93 -22.15 26.01 36.57 -22.90 26.75 35.94 -20.69 25.90 36.16-999.99-999.99-999.99 1 0 18.01-999 ?-999 ?-999 ? ZN ZN D 128 mALA^D 49 -22.56 25.30 37.61 -21.86 24.74 38.05 -24.16 24.90 39.48 -23.44 24.03 39.98 -23.96 25.36 38.04 -24.83 24.52 37.10 2 0 15.28-999 ?-999 ?-999 ? ZN ZN D 128 mVAL^D 50 -25.14 25.51 40.14 -25.62 26.21 39.61 -26.94 24.86 41.62 -27.77 25.50 40.97 -25.46 25.18 41.52 -25.16 26.35 42.47 3 0 11.70-999 ?-999 ?-999 ? ZN ZN D 128 mLYS^D 51 -27.27 23.87 42.42 -26.51 23.42 42.89 -29.09 23.75 44.02 -28.35 23.44 44.96 -28.66 23.49 42.59 -28.85 22.02 42.25 2 0 11.12-999 ?-999 ?-999 ? ZN ZN D 128 mTYR^D 52 -30.26 24.34 44.19 -30.73 24.58 43.33 -31.86 23.54 45.80 -32.69 23.20 44.95 -30.81 24.62 45.50 -31.43 26.03 45.50 3 0 8.50-999 ?-999 ?-999 ? ZN ZN D 128 mLEU^D 53 -31.79 22.98 47.00 -31.05 23.31 47.58 -33.40 22.47 48.68 -32.76 22.56 49.73 -32.75 21.96 47.41 -32.04 20.62 47.67 3 0 9.63-999 ?-999 ?-999 ? ZN ZN D 128 mGLY^D 54 -34.66 22.88 48.56 -35.04 22.80 47.64 -36.28 22.29 50.28 -36.79 21.42 49.56 -35.39 23.38 49.70-999.99-999.99-999.99 1 0 9.52-999 ?-999 ?-999 ? ZN ZN D 128 mTYR.D 55 -36.48 22.34 51.59 -36.03 23.10 52.06 -38.47 21.93 53.04 -38.41 23.08 53.49 -37.30 21.34 52.25 -36.44 20.48 53.18 3 0 11.87-999 ?-999 ?-999 ? ZN ZN D 128 mALA.D 56 -39.51 21.13 53.20 -39.40 20.22 52.79 -40.38 21.86 55.38 -40.97 22.76 55.97 -40.71 21.54 53.92 -41.78 20.44 53.84 2 0 14.69-999 ?-999 ?-999 ? ZN ZN D 128 mASP.D 57 -39.44 21.12 55.95 -39.06 20.41 55.37 -37.67 20.72 57.58 -37.09 20.10 56.69 -39.02 21.37 57.33 -40.07 20.84 58.32 2 0 14.13-999 ?-999 ?-999 ? ZN ZN D 128 mGLU.D 58 -37.18 20.84 58.81 -37.78 21.32 59.45 -35.67 18.82 58.88 -34.56 18.38 58.57 -35.87 20.30 59.16 -35.59 20.57 60.64 2 0 13.33-999 ?-999 ?-999 ? ZN ZN D 128 mHIS.D 59 -36.75 18.04 58.95 -37.60 18.52 59.15 -37.32 15.97 57.55 -37.39 14.74 57.47 -36.63 16.60 58.76 -37.08 15.90 60.03 3 0 16.12-999 ?-999 ?-999 ? ZN ZN D 128 mSER.D 60 -37.83 16.78 56.63 -37.73 17.76 56.81 -37.52 15.24 54.81 -36.31 15.49 54.77 -38.49 16.22 55.46 -38.85 17.33 54.46 2 0 16.56-999 ?-999 ?-999 ? ZN ZN D 128 mALA.D 61 -38.03 14.13 54.32 -39.03 14.05 54.40 -36.75 13.55 52.31 -35.65 13.24 51.85 -37.19 13.11 53.70 -37.94 11.80 53.61 2 0 18.10-999 ?-999 ?-999 ? ZN ZN D 128 mGLU.D 62 -37.63 14.28 51.65 -38.48 14.47 52.14 -37.69 16.23 50.19 -38.54 16.75 50.91 -37.36 14.76 50.31 -38.18 13.96 49.30 2 0 16.90-999 ?-999 ?-999 ? ZN ZN D 128 mPRO.D 63 -37.01 16.94 49.28 -36.34 16.40 48.76 -38.51 18.68 48.31 -38.92 17.91 47.44 -37.23 18.37 49.07 -35.98 18.80 48.31 3 0 14.24-999 ?-999 ?-999 ? ZN ZN D 128 mASP.D 64 -39.14 19.81 48.63 -38.70 20.33 49.37 -40.07 21.32 46.93 -40.95 21.76 46.20 -40.37 20.23 47.96 -41.38 20.76 48.99 2 0 15.65-999 ?-999 ?-999 ? ZN ZN D 128 mGLN^D 65 -38.82 21.77 46.89 -38.20 21.34 47.56 -37.00 22.54 45.39 -36.08 22.21 46.15 -38.40 22.79 45.94 -38.46 24.18 46.58 2 0 13.63-999 ?-999 ?-999 ? ZN ZN D 128 mVAL^D 66 -36.86 22.68 44.08 -37.71 22.94 43.61 -35.36 23.59 42.35 -36.24 23.90 41.54 -35.59 22.49 43.39 -35.54 21.14 42.65 3 0 13.34-999 ?-999 ?-999 ? ZN ZN D 128 mILE^D 67 -34.18 24.21 42.39 -33.57 23.90 43.12 -32.43 25.06 40.95 -31.51 24.94 41.75 -33.85 25.24 41.44 -33.96 26.64 42.04 3 0 12.94-999 ?-999 ?-999 ? ZN ZN D 128 mLEU^D 68 -32.26 25.01 39.64 -33.10 25.07 39.10 -30.51 26.30 38.66 -31.24 27.00 37.94 -30.93 24.88 39.05 -30.98 23.98 37.81 3 0 14.22-999 ?-999 ?-999 ? ZN ZN D 128 mILE^D 69 -29.34 26.72 39.15 -28.86 26.05 39.70 -27.59 27.93 38.01 -26.58 27.35 38.44 -28.83 28.06 38.88 -28.44 28.78 40.20 3 0 13.60-999 ?-999 ?-999 ? ZN ZN D 128 mGLU^D 70 -27.65 28.45 36.79 -28.52 28.89 36.56 -25.76 29.69 35.79 -26.29 30.75 36.14 -26.51 28.37 35.90 -26.95 27.90 34.51 2 0 16.59-999 ?-999 ?-999 ? ZN ZN D 128 mALA.D 71 -24.52 29.61 35.32 -24.23 28.69 35.08 -24.42 31.94 34.48 -25.03 31.75 33.43 -23.67 30.79 35.16 -22.42 30.44 34.35 2 0 17.92-999 ?-999 ?-999 ? ZN ZN D 128 mGLY.D 72 -24.33 33.12 35.08 -23.79 33.14 35.92 -26.37 34.47 35.18 -27.11 35.39 34.82 -25.01 34.28 34.53-999.99-999.99-999.99 1 0 17.67-999 ?-999 ?-999 ? ZN ZN B 128 mGLN^D 73 -26.68 33.62 36.15 -25.97 32.94 36.35 -27.80 33.66 38.37 -26.75 33.29 38.90 -27.96 33.67 36.86 -28.84 32.47 36.48 2 0 16.37-999 ?-999 ?-999 ? ZN ZN D 128 mPHE^D 74 -28.86 34.07 39.07 -29.64 34.37 38.51 -30.23 33.63 40.98 -31.17 33.62 40.20 -28.85 34.05 40.52 -28.48 35.43 41.09 3 0 13.13-999 ?-999 ?-999 ? ZN ZN D 128 mALA^D 75 -30.35 33.24 42.24 -29.50 33.25 42.77 -31.73 33.35 44.20 -30.75 33.30 44.94 -31.65 32.85 42.77 -31.81 31.34 42.74 2 0 11.19-999 ?-999 ?-999 ? ZN ZN D 128 mVAL^D 76 -32.90 33.85 44.56 -33.59 33.85 43.84 -33.69 33.13 46.67 -34.61 32.45 46.20 -33.15 34.34 45.91 -34.22 35.46 45.89 3 0 10.14-999 ?-999 ?-999 ? ZN ZN D 128 mPHE.D 77 -33.10 32.83 47.83 -32.35 33.45 48.08 -34.63 32.09 49.64 -34.49 33.08 50.36 -33.54 31.69 48.64 -32.38 31.12 49.45 3 0 7.45-999 ?-999 ?-999 ? ZN ZN D 128 mPRO.D 78 -35.71 31.29 49.72 -35.72 30.50 49.10 -36.23 31.62 52.08 -35.64 30.63 52.53 -36.78 31.62 50.66 -37.80 30.50 50.43 3 0 9.53-999 ?-999 ?-999 ? ZN ZN D 128 mPRO.D 79 -36.41 32.73 52.81 -36.90 33.45 52.31 -36.63 31.96 55.17 -37.82 31.68 55.04 -35.93 32.89 54.18 -36.24 34.35 54.51 3 0 9.25-999 ?-999 ?-999 ? ZN ZN D 128 mGLU.D 80 -35.87 31.48 56.16 -34.92 31.77 56.12 -36.82 29.23 56.67 -37.46 28.46 57.39 -36.43 30.61 57.19 -37.67 31.27 57.82 2 0 9.96-999 ?-999 ?-999 ? ZN ZN D 128 mLYS.D 81 -36.45 28.91 55.44 -35.95 29.63 54.95 -35.49 26.75 54.78 -34.49 27.19 54.22 -36.76 27.60 54.86 -37.38 27.78 53.48 2 0 9.23-999 ?-999 ?-999 ? ZN ZN D 128 mTRP.D 82 -35.53 25.55 55.36 -36.40 25.32 55.80 -33.99 24.30 53.91 -34.87 24.09 53.07 -34.35 24.68 55.34 -34.59 23.42 56.16 3 0 8.08-999 ?-999 ?-999 ? ZN ZN D 128 mHIS^D 83 -32.69 24.21 53.65 -32.10 24.39 54.44 -30.68 23.56 52.38 -30.04 23.64 53.43 -32.18 23.88 52.32 -32.36 25.08 51.40 3 0 -6.36-999 ?-999 ?-999 ? ZN ZN D 128s mASN^D 84 -30.15 23.21 51.22 -30.81 23.17 50.46 -28.49 23.06 49.56 -29.42 22.97 48.75 -28.75 22.91 51.05 -28.44 21.48 51.55 2 0 5.93-999 ?-999 ?-999 ? ZN ZN D 128 mILE^D 85 -27.25 23.32 49.18 -26.58 23.41 49.92 -26.01 22.34 47.34 -25.44 21.64 48.17 -26.94 23.46 47.78 -26.27 24.80 47.46 3 0 7.01-999 ?-999 ?-999 ? ZN ZN D 128 mGLU^D 86 -25.88 22.19 46.03 -26.40 22.85 45.49 -24.38 21.78 44.23 -25.07 22.33 43.36 -25.05 21.15 45.44 -25.96 20.00 45.00 2 0 10.61-999 ?-999 ?-999 ? ZN ZN D 128 mALA^D 87 -23.05 21.75 44.17 -22.61 21.32 44.96 -22.36 21.20 41.96 -22.08 20.04 42.27 -22.32 22.30 43.02 -20.89 22.62 43.40 2 0 12.64-999 ?-999 ?-999 ? ZN ZN D 128 mMETD 88 -22.70 21.55 40.73 -22.87 22.52 40.60 -21.52 20.11 38.98 -21.55 19.15 38.21 -22.81 20.54 39.68 -23.84 20.99 38.64 2 0 15.93-999 ?-999 ?-999 ? ZN ZN D 128 mTHR.D 89 -20.42 20.80 39.23 -20.54 21.57 39.86 -17.98 20.81 39.55 -18.20 21.40 40.61 -19.13 20.42 38.63 -18.89 21.12 37.25 2 0 18.30-999 ?-999 ?-999 ? ZN ZN D 128 mASP.D 90 -16.75 20.47 39.17 -16.70 19.96 38.31 -15.19 22.23 39.60 -14.63 22.98 40.41 -15.61 20.83 39.99 -14.45 19.85 39.76 2 0 19.16-999 ?-999 ?-999 ? ZN ZN D 128 mASP.D 91 -15.48 22.60 38.36 -15.95 21.90 37.82 -16.10 24.98 38.33 -15.85 26.17 38.18 -15.14 23.92 37.85 -15.13 23.89 36.32 2 0 19.95-999 ?-999 ?-999 ? ZN ZN D 128 mTHR.D 92 -17.21 24.55 38.93 -17.27 23.55 39.00 -17.78 26.34 40.57 -17.10 25.90 41.50 -18.23 25.46 39.42 -19.50 24.70 39.86 2 0 16.53-999 ?-999 ?-999 ? ZN ZN D 128 mTYR^D 93 -18.15 27.62 40.49 -18.61 27.88 39.65 -18.92 29.62 41.61 -19.43 30.05 40.57 -17.86 28.52 41.59 -16.42 29.06 41.54 3 0 14.79-999 ?-999 ?-999 ? ZN ZN D 128 mPHE^D 94 -19.26 30.04 42.83 -18.74 29.62 43.57 -19.98 31.85 44.28 -18.94 31.66 44.90 -20.32 31.02 43.05 -21.62 30.27 43.34 3 0 12.31-999 ?-999 ?-999 ? ZN ZN D 128 mASN^D 95 -20.88 32.76 44.62 -21.66 32.81 44.00 -22.13 34.00 46.25 -23.08 33.98 45.46 -20.72 33.61 45.79 -19.89 34.86 45.47 2 0 10.99-999 ?-999 ?-999 ? ZN ZN D 128 mILE^D 96 -22.25 34.35 47.52 -21.41 34.33 48.05 -23.56 36.13 48.61 -22.59 36.58 49.24 -23.55 34.72 48.06 -23.97 33.76 49.20 3 0 8.69-999 ?-999 ?-999 ? ZN ZN D 128 mASP^D 97 -24.65 36.83 48.34 -25.32 36.35 47.77 -26.08 38.13 49.74 -27.06 37.44 49.44 -24.85 38.19 48.84 -25.08 39.18 47.70 2 0 10.68-999 ?-999 ?-999 ? ZN ZN D 128 mPHE^D 98 -26.03 38.84 50.87 -25.18 39.35 51.01 -27.79 40.22 51.94 -27.08 41.23 52.08 -27.15 38.84 51.80 -26.72 38.31 53.17 3 0 10.28-999 ?-999 ?-999 ? ZN ZN D 128 mPHE^D 99 -29.12 40.26 51.92 -29.55 39.37 51.82 -30.87 41.49 53.17 -31.55 40.49 53.39 -29.87 41.51 52.01 -30.60 41.79 50.69 3 0 13.06-999 ?-999 ?-999 ? ZN ZN D 128 mVAL^D 100 -30.97 42.62 53.87 -30.38 43.35 53.55 -32.81 43.95 54.92 -32.48 44.94 54.27 -31.87 42.74 55.02 -31.06 42.85 56.34 3 0 14.90-999 ?-999 ?-999 ? ZN ZN D 128 mALA.D 101 -33.96 43.85 55.58 -34.08 42.98 56.06 -34.34 46.25 56.06 -33.45 46.26 56.92 -34.95 44.93 55.58 -36.14 44.54 56.45 2 0 18.05-999 ?-999 ?-999 ? ZN ZN D 128 mPRO.D 102 -34.82 47.40 55.53 -35.55 47.29 54.86 -34.25 48.89 57.47 -35.27 48.80 58.15 -34.27 48.69 55.96 -35.16 49.70 55.22 3 0 18.04-999 ?-999 ?-999 ? ZN ZN A 128 mGLU.D 103 -33.04 49.16 57.97 -32.33 49.20 57.28 -33.88 50.17 60.10 -34.08 50.03 61.31 -32.79 49.37 59.39 -31.43 50.06 59.58 2 0 14.34-999 ?-999 ?-999 ? ZN ZN A 128