HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-MAY-06 2GX8 COMPND NIF3-RELATED PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; SOURCE 3 ORGANISM_TAXID: 226900; SOURCE 4 STRAIN: ATCC 14579; SOURCE 5 GENE: AAP11199; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21-DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR G.MINASOV,J.S.BRUNZELLE,L.SHUVALOVA,I.I.VORONTSOV,F.R.COLLART, AUTHOR 2 A.JOACHIMIAK,W.F.ANDERSON,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 3 (MCSG) HET ZN A 374 1 HET ZN A 375 1 HET EPE A 376 15 HET EPE A 377 15 HET TRS A 378 8 HET ZN B 374 1 HET ZN B 375 1 HET EPE B 376 15 HET ZN C 374 1 HET ZN C 375 1 HET EPE C 376 15 HET EPE C 377 15 SITE 1 AC1 7 HIS A 69 HIS A 103 HIS A 333 GLU A 336 SITE 1 AC2 5 HIS A 68 ASP A 107 GLU A 336 ZN A 374 SITE 1 AC3 6 ASN A 74 LYS A 83 TYR A 85 ASP A 320 SITE 1 AC4 7 PHE A 143 GLU A 201 HOH A 550 LYS B 139 SITE 1 AC5 4 ASN A 238 LYS A 239 GLN C 213 TYR C 231 SITE 1 AC6 5 HIS B 69 HIS B 333 GLU B 336 ZN B 375 SITE 1 AC7 4 HIS B 68 ASP B 107 GLU B 336 ZN B 374 SITE 1 AC8 8 ASN B 74 HOH B 394 HOH B 521 HOH B 551 SITE 1 AC9 5 HIS C 69 HIS C 333 GLU C 336 ZN C 375 SITE 1 BC1 4 HIS C 68 ASP C 107 GLU C 336 ZN C 374 SITE 1 BC2 7 ASP B 320 ASN C 74 LYS C 83 TYR C 85 SITE 1 BC3 12 LYS A 139 CYS A 170 THR A 171 GLU A 205 mILE.A 4 36.95 10.01 -0.66 37.07 9.58 -1.56 35.42 10.22 1.27 34.36 10.70 0.85 36.76 10.65 0.68 36.88 12.20 0.59 3 0 30.86-999 ?-999 ?-999 ? ZN ZN A 375 mPRO.A 5 35.45 9.32 2.27 36.38 9.06 2.53 33.63 9.54 4.08 34.20 10.53 4.56 34.25 8.75 2.91 34.78 7.43 3.47 3 0 28.20-999 ?-999 ?-999 ? ZN ZN A 375 mASN~A 6 32.44 9.07 4.49 32.13 8.32 3.90 32.10 8.88 6.88 32.75 7.84 6.84 31.65 9.53 5.63 30.24 8.98 5.52 2 0 26.53-999 ?-999 ?-999 ? ZN ZN A 375 mGLY~A 7 31.67 9.43 8.00 31.18 10.29 7.89 31.09 7.53 9.30 31.56 6.48 9.79 31.92 8.80 9.28-999.99-999.99-999.99 1 0 22.99-999 ?-999 ?-999 ? ZN ZN A 375 mHIS~A 8 29.88 7.61 8.74 29.65 8.52 8.38 29.59 5.25 8.00 29.49 4.15 8.56 28.97 6.48 8.66 27.64 6.83 8.00 3 0 23.38-999 ?-999 ?-999 ? ZN ZN A 375 mGLU~A 9 30.24 5.43 6.84 30.24 6.36 6.48 32.03 3.73 7.02 32.10 2.53 7.20 30.87 4.28 6.20 31.14 4.46 4.70 2 0 24.27-999 ?-999 ?-999 ? ZN ZN A 375 mILE~A 10 32.87 4.60 7.59 32.69 5.55 7.36 33.44 3.46 9.74 33.99 2.47 10.20 33.97 4.15 8.47 34.90 5.31 8.90 3 0 21.46-999 ?-999 ?-999 ? ZN ZN A 375 mILE~A 11 32.37 3.98 10.33 32.01 4.81 9.90 31.08 2.02 11.21 31.04 1.11 12.03 31.82 3.33 11.52 31.14 4.35 12.43 3 0 18.86-999 ?-999 ?-999 ? ZN ZN A 375 mSER~A 12 30.60 1.90 9.98 30.72 2.70 9.40 30.99 -0.46 9.48 30.68 -1.61 9.81 29.97 0.68 9.55 29.34 0.89 8.19 2 0 20.66-999 ?-999 ?-999 ? ZN ZN A 375 mLEU~A 13 32.19 -0.13 9.02 32.27 0.84 8.77 33.78 -1.48 10.26 34.13 -2.63 10.48 33.28 -1.08 8.89 34.43 -0.50 8.07 3 0 20.18-999 ?-999 ?-999 ? ZN ZN A 375 mPHE~A 14 33.83 -0.51 11.16 33.56 0.40 10.83 33.26 -1.71 13.21 33.68 -2.62 13.92 34.24 -0.76 12.53 34.29 0.54 13.31 3 0 16.46-999 ?-999 ?-999 ? ZN ZN A 375 mGLU~A 15 31.97 -1.48 12.99 31.78 -0.71 12.37 30.82 -3.70 13.07 30.40 -4.59 13.80 30.92 -2.29 13.61 29.57 -1.58 13.60 2 0 16.30-999 ?-999 ?-999 ? ZN ZN A 375 mSER~A 16 31.21 -3.93 11.81 31.49 -3.12 11.29 32.21 -6.12 12.13 32.04 -7.33 12.26 31.20 -5.28 11.30 31.55 -5.32 9.82 2 0 18.58-999 ?-999 ?-999 ? ZN ZN A 375 mMET~A 17 33.23 -5.46 12.68 33.25 -4.49 12.46 33.84 -6.08 15.02 34.16 -7.02 15.76 34.23 -6.11 13.54 35.59 -5.42 13.45 2 0 15.82-999 ?-999 ?-999 ? ZN ZN A 375 mTYR~A 18 33.18 -4.99 15.44 33.04 -4.32 14.71 31.22 -4.47 16.97 30.87 -3.36 17.38 32.72 -4.79 16.84 33.53 -3.68 17.49 3 0 12.85-999 ?-999 ?-999 ? ZN ZN A 375 mPRO~A 19 30.34 -5.46 16.67 30.77 -6.34 16.46 28.30 -4.67 17.96 28.84 -4.95 19.05 28.88 -5.25 16.65 28.32 -6.65 16.39 3 0 14.89-999 ?-999 ?-999 ? ZN ZN A 375 mLYS~A 20 27.22 -3.88 17.86 26.85 -3.80 16.93 25.96 -4.16 20.00 25.97 -3.92 21.20 26.66 -3.22 19.04 25.79 -1.97 18.69 2 0 14.32-999 ?-999 ?-999 ? ZN ZN A 375 mHIS~A 21 25.42 -5.26 19.49 25.52 -5.33 18.50 25.65 -7.02 21.29 25.16 -7.70 22.19 24.73 -6.26 20.32 24.02 -7.28 19.44 3 0 15.51-999 ?-999 ?-999 ? ZN ZN A 375 mLEU~A 22 26.97 -6.95 21.06 27.21 -6.40 20.25 28.06 -6.98 23.32 28.34 -7.67 24.30 27.97 -7.61 21.94 29.35 -7.69 21.29 3 0 12.57-999 ?-999 ?-999 ? ZN ZN A 375 mALA~A 23 27.80 -5.67 23.37 27.56 -5.29 22.47 26.89 -5.33 25.72 25.83 -5.91 25.46 27.83 -4.85 24.60 27.58 -3.36 24.26 2 0 10.54-999 ?-999 ?-999 ? ZN ZN A 375 mMET.A 24 27.31 -5.09 26.96 28.17 -4.59 27.01 25.35 -4.63 28.40 25.15 -3.59 27.74 26.57 -5.51 28.15 27.47 -5.48 29.38 2 0 11.14-999 ?-999 ?-999 ? ZN ZN A 375 mGLU.A 25 24.56 -5.05 29.39 24.94 -5.86 29.84 23.12 -2.91 29.66 22.40 -2.44 28.77 23.29 -4.43 29.80 22.96 -4.85 31.23 2 0 14.17-999 ?-999 ?-999 ? ZN ZN A 375 mGLY.A 26 23.77 -2.14 30.53 24.36 -2.63 31.18 24.84 0.00 29.98 25.27 1.00 30.56 23.61 -0.70 30.49-999.99-999.99-999.99 1 0 13.89-999 ?-999 ?-999 ? ZN ZN A 375 mASP.A 27 25.41 -0.51 28.90 24.96 -1.31 28.49 26.21 1.33 27.52 25.11 1.37 26.95 26.61 0.11 28.37 27.49 -0.90 27.62 2 0 10.96-999 ?-999 ?-999 ? ZN ZN A 375 mLYS.A 28 27.12 2.31 27.47 27.97 2.12 27.97 27.80 3.61 25.57 28.95 4.00 25.68 26.87 3.56 26.76 27.08 4.78 27.68 2 0 12.07-999 ?-999 ?-999 ? ZN ZN A 374 mILE.A 29 27.28 3.17 24.42 26.32 2.91 24.48 27.45 3.87 22.05 26.36 4.43 22.18 28.07 3.09 23.20 28.23 1.63 22.78 3 0 12.02-999 ?-999 ?-999 ? ZN ZN A 375 mGLY^A 30 28.16 3.89 20.92 29.03 3.39 20.95 28.15 6.02 19.73 29.04 6.41 20.49 27.68 4.60 19.76-999.99-999.99-999.99 1 0 14.83-999 ?-999 ?-999 ? ZN ZN A 375 mLEU^A 31 27.53 6.80 18.84 26.81 6.34 18.33 27.52 9.03 19.86 26.34 9.21 20.16 27.90 8.20 18.65 27.19 8.78 17.42 3 0 17.03-999 ?-999 ?-999 ? C3 EPE A 376 mGLN^A 32 28.51 9.58 20.54 29.43 9.42 20.18 28.08 11.84 21.54 27.19 12.47 22.12 28.20 10.34 21.73 29.13 9.96 22.88 2 0 13.73-999 ?-999 ?-999 ? C3 EPE A 376 mILE^A 33 28.92 12.39 20.69 29.55 11.74 20.27 29.18 14.02 18.94 29.96 13.29 18.38 28.93 13.83 20.42 30.07 14.56 21.17 3 0 14.86-999 ?-999 ?-999 ? C3 EPE A 376 mGLY.A 34 28.50 14.96 18.29 27.81 15.45 18.84 27.85 14.54 15.91 26.82 13.99 16.28 28.75 15.24 16.90-999.99-999.99-999.99 1 0 18.52-999 ?-999 ?-999 ? C3 EPE A 376 mALA.A 35 28.27 14.58 14.65 29.16 15.03 14.55 28.45 13.15 12.68 29.65 13.36 12.67 27.53 14.02 13.52 27.01 15.14 12.68 2 0 21.86-999 ?-999 ?-999 ? C3 EPE A 376 mLEU.A 36 27.91 12.16 11.98 26.92 12.07 12.06 28.61 11.48 9.66 29.36 10.90 8.88 28.76 11.30 11.17 28.56 9.85 11.56 3 0 23.78-999 ?-999 ?-999 ? C3 EPE A 376 mASN.A 37 27.63 12.28 9.25 27.06 12.64 9.99 28.25 13.79 7.43 27.74 14.83 7.00 27.42 12.58 7.84 25.93 12.74 7.54 2 0 27.30-999 ?-999 ?-999 ? C3 EPE A 376 mLYS.A 38 29.56 13.62 7.56 29.81 12.70 7.85 31.71 13.91 6.66 31.95 12.74 6.99 30.55 14.65 7.31 31.00 15.25 8.65 2 0 27.55-999 ?-999 ?-999 ? C3 EPE A 376 mPRO.A 39 32.39 14.55 5.69 32.04 15.46 5.44 34.60 13.69 6.19 34.73 14.54 7.09 33.56 13.92 5.09 34.05 14.96 4.10 3 0 28.89-999 ?-999 ?-999 ? ZN ZN A 375 mVAL.A 40 35.27 12.53 6.17 35.03 11.93 5.41 37.58 11.71 6.62 37.63 10.71 5.93 36.27 12.20 7.20 35.74 11.17 8.21 3 0 25.96-999 ?-999 ?-999 ? ZN ZN A 375 mARG.A 41 38.65 12.43 6.92 38.47 13.21 7.52 40.85 11.36 7.43 41.63 10.49 7.06 39.97 12.09 6.40 40.64 13.37 5.86 2 0 26.68-999 ?-999 ?-999 ? ZN ZN A 375 mHIS^A 42 40.70 11.69 8.72 39.99 12.37 8.89 40.72 10.62 10.94 39.79 11.31 11.40 41.53 11.08 9.76 42.57 12.07 10.28 3 0 23.59-999 ?-999 ?-999 ? ZN ZN A 375 mVAL^A 43 41.10 9.46 11.48 41.88 9.03 11.03 41.37 8.63 13.73 42.45 8.09 13.47 40.37 8.91 12.63 39.57 7.61 12.27 3 0 19.86-999 ?-999 ?-999 ? ZN ZN A 375 mLEU^A 44 41.01 9.01 14.96 40.11 9.44 15.00 41.26 7.74 17.04 40.09 7.83 17.41 41.86 8.80 16.12 42.07 10.13 16.85 3 0 17.43-999 ?-999 ?-999 ? ZN ZN A 375 mILE^A 45 42.04 6.72 17.39 42.95 6.72 16.96 42.14 6.02 19.67 43.37 6.27 19.81 41.56 5.68 18.32 42.02 4.24 17.97 3 0 13.80-999 ?-999 ?-999 ? ZN ZN A 375 mALA^A 46 41.29 6.00 20.68 40.36 5.73 20.44 41.12 5.42 23.07 40.23 4.64 22.78 41.72 6.36 22.02 41.31 7.82 22.33 2 0 11.62-999 ?-999 ?-999 ? ZN ZN A 374 mLEU.A 47 41.68 5.49 24.26 42.48 6.09 24.31 40.23 5.75 26.11 39.01 5.58 26.08 41.16 4.75 25.40 42.30 4.26 26.28 3 0 8.05-999 ?-999 ?-999 ? ZN ZN A 374 mASP.A 48 40.80 6.80 26.69 41.80 6.80 26.62 40.16 9.12 26.56 41.27 9.48 26.11 40.06 7.85 27.38 40.70 8.14 28.73 2 0 8.97-999 ?-999 ?-999 ? ZN ZN A 374 mVAL.A 49 39.05 9.82 26.42 38.25 9.40 26.85 39.32 12.20 26.71 38.43 12.74 27.36 39.00 11.09 25.70 37.61 11.38 25.05 3 0 10.85-999 ?-999 ?-999 ? C3 EPE A 376 mTHR~A 50 40.61 12.49 26.88 41.23 11.93 26.34 41.20 14.78 26.95 41.21 14.69 25.73 41.05 13.52 27.79 42.42 13.17 28.38 2 0 10.54-999 ?-999 ?-999 ? C2 EPE A 376 mGLU~A 51 41.36 15.95 27.57 41.37 15.91 28.57 42.76 17.11 25.91 42.80 17.70 24.84 41.50 17.18 26.78 41.50 18.46 27.64 2 0 12.25-999 ?-999 ?-999 ? C2 EPE A 376 mGLU~A 52 43.76 16.35 26.36 43.58 15.90 27.23 44.79 15.36 24.35 45.39 15.62 23.30 45.01 16.20 25.61 46.12 15.56 26.45 2 0 15.30-999 ?-999 ?-999 ? C2 EPE A 376 mVAL~A 53 43.96 14.34 24.48 43.60 14.21 25.41 42.80 14.28 22.35 42.96 14.09 21.16 43.61 13.48 23.36 42.83 12.22 23.81 3 0 15.48-999 ?-999 ?-999 ? C2 EPE A 376 mVAL~A 54 41.94 15.18 22.81 41.86 15.24 23.81 42.17 16.94 21.12 42.04 17.16 19.91 41.18 16.00 21.86 40.07 16.81 22.52 3 0 15.47-999 ?-999 ?-999 ? C2 EPE A 376 mASP~A 55 43.16 17.47 21.83 43.16 17.24 22.81 44.96 17.58 20.11 45.33 18.15 19.07 44.15 18.33 21.17 45.10 18.98 22.18 2 0 18.24-999 ?-999 ?-999 ? C2 EPE A 376 mGLU~A 56 45.25 16.32 20.39 44.88 16.00 21.27 45.19 15.33 18.21 45.69 15.56 17.11 46.03 15.49 19.48 46.33 14.16 20.16 2 0 20.12-999 ?-999 ?-999 ? C2 EPE A 376 mALA~A 57 43.91 15.01 18.37 43.64 14.85 19.33 42.97 16.16 16.38 43.08 16.08 15.15 42.98 14.90 17.25 41.58 14.60 17.74 2 0 20.16-999 ?-999 ?-999 ? C2 EPE A 376 mILE~A 58 42.85 17.32 17.02 42.75 17.23 18.01 44.17 18.79 15.55 44.18 19.27 14.40 42.87 18.61 16.31 42.70 19.78 17.31 3 0 21.56-999 ?-999 ?-999 ? C2 EPE A 376 mGLN~A 59 45.27 18.40 16.18 45.10 18.01 17.08 46.74 17.55 14.41 47.42 17.84 13.44 46.59 18.53 15.59 47.63 18.21 16.66 2 0 24.03-999 ?-999 ?-999 ? C2 EPE A 376 mLEU~A 60 46.09 16.38 14.51 45.58 16.25 15.36 45.20 15.75 12.30 45.42 15.32 11.18 46.12 15.39 13.44 45.69 14.02 13.98 3 0 24.74-999 ?-999 ?-999 ? ZN ZN A 374 mGLY~A 61 44.16 16.53 12.60 44.15 16.86 13.54 42.07 15.75 11.58 41.37 15.53 10.57 43.13 16.86 11.60-999.99-999.99-999.99 1 0 25.49-999 ?-999 ?-999 ? C2 EPE A 376 mALA.A 62 41.97 15.04 12.70 42.59 15.32 13.43 39.71 14.55 13.32 39.69 15.39 14.21 41.03 13.97 12.85 41.56 12.98 13.85 2 0 23.04-999 ?-999 ?-999 ? ZN ZN A 374 mASN.A 63 38.60 14.13 12.71 38.73 13.46 11.98 36.39 13.60 13.71 35.20 13.84 13.91 37.31 14.65 13.14 36.61 15.52 12.09 2 0 22.07-999 ?-999 ?-999 ? C2 EPE A 376 mVAL^A 64 36.96 12.42 13.97 37.90 12.37 13.63 37.28 10.69 15.65 38.46 10.43 15.34 36.29 11.32 14.67 35.78 10.21 13.74 3 0 19.62-999 ?-999 ?-999 ? ZN ZN A 375 mILE^A 65 36.79 10.47 16.87 35.86 10.81 17.02 36.74 8.63 18.29 35.58 8.81 18.70 37.59 9.80 17.87 37.88 10.64 19.11 3 0 16.26-999 ?-999 ?-999 ? ZN ZN A 374 mILE^A 66 37.29 7.44 18.14 38.19 7.46 17.70 37.34 5.92 19.88 38.57 5.77 19.89 36.63 6.22 18.58 36.87 5.10 17.60 3 0 13.27-999 ?-999 ?-999 ? ZN ZN A 375 mALA^A 67 36.60 5.89 20.99 35.62 6.04 20.86 36.70 4.43 22.98 35.51 4.11 22.86 37.22 5.65 22.28 37.04 6.85 23.17 2 0 10.27-999 ?-999 ?-999 ? ZN ZN A 374 mHIS.A 68 37.57 3.75 23.72 38.51 4.10 23.73 36.27 3.02 25.66 35.25 2.42 25.96 37.10 2.59 24.46 38.25 1.65 24.83 3 0 -6.53-999 ?-999 ?-999 ? ZN ZN A 375s mHIS.A 69 36.68 4.09 26.34 37.54 4.49 26.03 34.89 5.69 27.04 35.29 6.72 26.53 35.89 4.61 27.44 36.78 5.05 28.58 3 0 -6.03-999 ?-999 ?-999 ? ZN ZN A 374s mPRO.A 70 33.59 5.48 27.31 33.38 4.62 27.78 32.89 7.82 27.53 33.15 7.86 28.73 32.58 6.49 26.90 31.29 5.95 27.49 3 0 9.17-999 ?-999 ?-999 ? ZN ZN A 374 mLEU.A 71 32.93 8.89 26.73 32.80 8.68 25.76 31.98 10.64 28.12 32.13 11.20 29.21 33.15 10.23 27.28 33.41 11.27 26.19 3 0 7.46-999 ?-999 ?-999 ? C3 EPE A 376 mILE.A 72 30.79 10.36 27.62 30.79 9.98 26.70 29.13 9.28 28.98 28.51 8.47 28.28 29.59 10.61 28.40 28.43 11.16 27.54 3 0 7.06-999 ?-999 ?-999 ? C3 EPE A 376 mPHE.A 73 29.41 9.04 30.26 29.95 9.74 30.73 27.66 8.10 31.67 26.67 7.37 31.60 28.91 7.80 30.88 29.95 7.06 31.75 3 0 6.28-999 ?-999 ?-999 ? C7 EPE A 376 mASN.A 74 27.72 9.15 32.47 28.60 9.62 32.50 25.90 10.60 32.33 26.59 11.45 31.76 26.56 9.56 33.22 26.98 10.15 34.57 2 0 -6.42-999 ?-999 ?-999 ? C7 EPE A 376s mPRO.A 75 24.57 10.52 32.14 24.07 9.79 32.61 24.15 12.95 31.82 24.10 13.17 33.02 23.98 11.53 31.26 22.51 11.08 31.12 3 0 9.45-999 ?-999 ?-999 ? C3 EPE A 376 mLEU.A 76 24.38 13.92 30.93 24.33 13.61 29.98 23.47 16.12 31.75 22.55 16.31 30.97 24.67 15.28 31.34 25.42 15.99 30.19 3 0 8.56-999 ?-999 ?-999 ? C10 EPE A 376 mLYS.A 77 23.48 16.59 33.00 24.25 16.26 33.56 22.88 18.92 33.15 22.12 19.84 33.28 22.49 17.50 33.52 22.46 17.43 35.03 2 0 9.66-999 ?-999 ?-999 ? O1S EPE A 376 mALA.A 78 24.11 19.09 32.71 24.64 18.24 32.65 25.91 20.20 31.66 26.44 19.10 31.65 24.61 20.40 32.35 24.83 21.26 33.60 2 0 8.42-999 ?-999 ?-999 ? O2S EPE A 376 mILE.A 79 26.40 21.26 31.04 25.78 22.05 31.05 28.36 22.51 30.92 28.07 23.61 30.46 27.70 21.27 30.39 27.55 21.35 28.88 3 0 7.34-999 ?-999 ?-999 ? O2S EPE A 376 mHIS.A 80 29.17 22.35 31.96 29.31 21.40 32.24 31.16 23.80 32.03 32.15 23.10 32.28 29.80 23.48 32.61 29.86 23.29 34.12 3 0 6.11-999 ?-999 ?-999 ? O2S EPE A 376 mTHR.A 81 31.22 24.89 31.29 30.38 25.43 31.27 33.64 25.76 31.35 34.71 25.96 30.78 32.45 25.22 30.56 32.19 26.03 29.25 2 0 8.23-999 ?-999 ?-999 ? O2S EPE A 376 mASP.A 82 33.47 26.02 32.65 32.54 25.90 33.00 35.12 25.27 34.31 35.93 25.45 35.20 34.62 26.43 33.45 34.38 27.71 34.24 2 0 8.37-999 ?-999 ?-999 ? O2S EPE A 376 mLYS~A 83 34.61 24.08 34.01 33.92 24.11 33.29 35.79 22.05 33.63 35.51 22.13 32.44 35.02 22.85 34.66 33.80 22.06 35.13 2 0 -5.09-999 ?-999 ?-999 ? O2S EPE A 376s mALA~A 84 36.76 21.26 34.09 36.84 21.26 35.09 36.86 19.55 32.22 37.23 19.40 31.03 37.62 20.48 33.19 38.69 19.72 33.98 2 0 6.20-999 ?-999 ?-999 ? O2S EPE A 376 mTYR~A 85 35.79 18.94 32.72 35.60 19.17 33.67 34.16 18.74 30.89 34.09 18.29 29.75 34.97 18.02 31.96 34.01 17.27 32.87 3 0 -4.64-999 ?-999 ?-999 ? O2S EPE A 376s mGLY~A 86 33.53 19.85 31.26 33.61 20.09 32.23 33.69 21.16 29.19 33.26 21.29 28.05 32.79 20.63 30.29-999.99-999.99-999.99 1 0 5.69-999 ?-999 ?-999 ? O2S EPE A 376 mLYS~A 87 34.96 21.43 29.51 35.20 21.27 30.47 36.27 20.87 27.47 36.46 21.19 26.31 35.91 21.93 28.51 37.16 22.51 29.17 2 0 8.64-999 ?-999 ?-999 ? O2S EPE A 376 mILE~A 88 36.35 19.60 27.87 36.22 19.46 28.85 35.43 18.54 25.94 35.60 18.54 24.72 36.60 18.53 26.91 36.65 17.14 27.57 3 0 9.76-999 ?-999 ?-999 ? O2S EPE A 376 mILE~A 89 34.23 18.59 26.49 34.23 18.61 27.49 32.97 19.88 24.83 32.61 19.83 23.64 33.02 18.61 25.67 31.76 18.45 26.55 3 0 9.97-999 ?-999 ?-999 ? O2S EPE A 376 mGLU~A 90 33.35 21.00 25.43 33.64 20.90 26.38 34.15 22.25 23.43 33.67 22.66 22.38 33.33 22.26 24.70 33.77 23.44 25.58 2 0 11.53-999 ?-999 ?-999 ? O2S EPE A 376 mLYS~A 91 35.40 21.79 23.51 35.69 21.45 24.41 35.95 20.74 21.28 36.29 20.89 20.12 36.23 21.81 22.32 37.74 21.99 22.61 2 0 14.23-999 ?-999 ?-999 ? O2S EPE A 376 mCYH~A 92 35.33 19.64 21.69 35.20 19.55 22.68 33.86 19.40 19.85 33.94 19.37 18.64 34.89 18.67 20.72 34.25 17.45 21.39 2 0 15.14-999 ?-999 ?-999 ? O2S EPE A 376 mILE~A 93 32.90 20.07 20.50 32.97 20.01 21.50 32.38 21.93 18.88 32.00 22.05 17.71 31.85 20.81 19.80 30.85 21.40 20.79 3 0 15.96-999 ?-999 ?-999 ? O2S EPE A 376 mLYS~A 94 33.26 22.74 19.43 33.52 22.49 20.36 34.68 23.55 17.53 34.86 24.38 16.63 33.79 23.90 18.72 34.55 24.79 19.69 2 0 17.74-999 ?-999 ?-999 ? O2S EPE A 376 mASN~A 95 35.26 22.35 17.57 35.02 21.82 18.38 35.50 20.72 15.74 36.19 19.94 15.08 36.16 21.87 16.51 37.50 21.37 17.07 2 0 19.76-999 ?-999 ?-999 ? O2S EPE A 376 mASP.A 96 34.19 20.60 15.87 33.78 21.27 16.48 34.09 18.19 15.21 34.15 17.49 14.19 33.44 19.57 15.16 33.23 19.97 13.69 2 0 20.51-999 ?-999 ?-999 ? O2S EPE A 376 mILE.A 97 34.59 17.79 16.37 34.57 18.47 17.10 33.99 15.52 17.00 33.37 15.80 18.00 35.12 16.44 16.51 36.26 16.40 17.50 3 0 18.65-999 ?-999 ?-999 ? C2 EPE A 376 mALA^A 98 33.73 14.44 16.27 34.30 14.36 15.45 33.31 12.44 17.61 34.48 12.03 17.43 32.69 13.47 16.67 32.07 12.82 15.47 2 0 18.02-999 ?-999 ?-999 ? C3 EPE A 376 mILE^A 99 32.58 12.08 18.66 31.67 12.49 18.71 32.23 9.94 19.58 31.03 10.04 19.83 33.11 11.14 19.64 33.10 11.71 21.10 3 0 14.97-999 ?-999 ?-999 ? C3 EPE A 376 mTYR^A 100 32.82 8.81 19.20 33.79 8.91 19.00 32.61 6.67 20.23 33.80 6.63 20.48 32.09 7.55 19.10 32.31 6.93 17.71 3 0 14.74-999 ?-999 ?-999 ? ZN ZN A 375 mALA^A 101 31.70 6.03 20.96 30.75 6.20 20.69 31.99 3.68 21.66 30.99 3.23 21.11 32.09 5.17 22.05 31.25 5.48 23.29 2 0 11.31-999 ?-999 ?-999 ? ZN ZN A 375 mALA.A 102 33.03 2.94 21.97 33.78 3.44 22.41 33.46 0.84 22.99 34.62 0.57 23.23 33.09 1.52 21.68 34.14 1.27 20.64 2 0 9.02-999 ?-999 ?-999 ? ZN ZN A 375 mHIS~A 103 32.49 0.51 23.83 31.55 0.64 23.53 33.04 -1.52 25.25 34.01 -2.10 24.74 32.93 -0.01 25.12 32.24 0.69 26.31 3 0 -6.08-999 ?-999 ?-999 ? ZN ZN A 375s mTHR~A 104 32.10 -2.16 25.93 31.36 -1.58 26.26 32.09 -4.51 24.89 32.35 -5.72 24.98 32.17 -3.62 26.15 31.17 -4.10 27.22 2 0 5.79-999 ?-999 ?-999 ? ZN ZN A 375 mASN~A 105 31.70 -3.95 23.74 31.40 -3.00 23.82 33.20 -4.96 22.10 33.56 -5.98 21.51 31.75 -4.72 22.48 30.92 -4.10 21.33 2 0 8.57-999 ?-999 ?-999 ? ZN ZN A 375 mVAL~A 106 34.06 -4.01 22.46 33.63 -3.22 22.91 36.13 -5.05 23.28 37.19 -5.62 23.06 35.49 -4.13 22.21 36.14 -2.72 22.05 3 0 6.87-999 ?-999 ?-999 ? ZN ZN A 375 mASP~A 107 35.46 -5.23 24.43 34.61 -4.70 24.50 35.67 -7.58 25.10 36.42 -8.51 25.48 35.96 -6.13 25.48 35.27 -5.88 26.81 2 0 -5.03-999 ?-999 ?-999 ? ZN ZN A 375s mVAL~A 108 34.60 -7.74 24.34 34.19 -6.87 24.05 34.46 -9.62 22.60 34.77 -10.82 22.52 34.04 -9.04 23.95 32.49 -8.98 23.97 3 0 8.71-999 ?-999 ?-999 ? ZN ZN A 375 mALA~A 109 34.42 -8.81 21.55 34.21 -7.85 21.77 36.10 -9.90 19.99 37.01 -9.60 20.76 34.68 -9.30 20.20 34.40 -8.19 19.19 2 0 11.17-999 ?-999 ?-999 ? ZN ZN A 375 mLYS.A 110 36.23 -10.77 18.99 35.38 -10.97 18.51 38.54 -10.29 18.31 38.21 -9.31 17.64 37.52 -11.39 18.62 37.39 -12.24 17.36 2 0 13.43-999 ?-999 ?-999 ? ZN ZN A 375 mGLY.A 111 39.77 -10.46 18.76 39.93 -11.30 19.27 40.57 -8.22 19.38 41.27 -7.19 19.25 40.78 -9.44 18.50-999.99-999.99-999.99 1 0 12.81-999 ?-999 ?-999 ? ZN ZN A 375 mGLY~A 112 39.63 -8.35 20.31 39.17 -9.24 20.29 40.29 -7.09 22.36 41.40 -7.67 22.33 39.28 -7.29 21.25-999.99-999.99-999.99 1 0 9.06-999 ?-999 ?-999 ? ZN ZN A 375 mVAL~A 113 39.92 -6.30 23.35 38.98 -5.97 23.30 41.44 -7.22 25.06 42.62 -7.30 25.32 40.86 -5.95 24.42 40.22 -5.05 25.55 3 0 6.55-999 ?-999 ?-999 ? ZN ZN A 375 mASN~A 114 40.61 -8.22 25.29 39.67 -8.09 24.96 41.93 -10.37 25.12 42.74 -11.13 25.66 41.11 -9.40 25.97 39.96 -10.05 26.73 2 0 8.39-999 ?-999 ?-999 ? ZN ZN A 375 mASP~A 115 41.72 -10.35 23.81 40.98 -9.75 23.51 43.90 -10.54 22.86 44.91 -11.21 23.02 42.53 -11.16 22.90 41.88 -11.27 21.52 2 0 11.69-999 ?-999 ?-999 ? ZN ZN A 375 mLEU~A 116 43.90 -9.22 22.72 42.99 -8.81 22.61 45.96 -8.69 23.99 47.12 -8.98 23.89 45.13 -8.44 22.72 44.83 -6.96 22.51 3 0 11.53-999 ?-999 ?-999 ? ZN ZN A 375 mLEU~A 117 45.36 -8.61 25.18 44.38 -8.40 25.14 46.67 -10.24 26.55 47.77 -10.44 27.04 46.13 -8.83 26.43 45.32 -8.50 27.69 3 0 11.15-999 ?-999 ?-999 ? ZN ZN A 375 mALA~A 118 45.87 -11.20 26.13 44.99 -10.88 25.77 47.45 -12.86 25.29 48.41 -13.49 25.73 46.25 -12.61 26.18 45.07 -13.50 25.76 2 0 13.79-999 ?-999 ?-999 ? ZN ZN A 375 mGLU~A 119 47.40 -12.36 24.06 46.57 -11.86 23.84 49.77 -11.79 23.58 50.88 -12.27 23.37 48.53 -12.56 23.12 48.15 -12.37 21.63 2 0 16.11-999 ?-999 ?-999 ? ZN ZN A 375 mALA~A 120 49.56 -10.66 24.25 48.60 -10.42 24.34 51.30 -10.56 25.99 52.51 -10.42 26.24 50.64 -9.84 24.82 50.10 -8.49 25.27 2 0 15.75-999 ?-999 ?-999 ? ZN ZN A 375 mLEU~A 121 50.51 -11.33 26.73 49.54 -11.32 26.47 51.64 -13.44 27.34 52.24 -14.18 28.12 51.06 -12.11 27.83 50.00 -12.35 28.89 3 0 16.87-999 ?-999 ?-999 ? ZN ZN A 375 mGLY.A 122 51.43 -13.77 26.06 50.88 -13.11 25.55 51.22 -16.25 25.94 51.82 -17.32 26.08 51.97 -15.01 25.49-999.99-999.99-999.99 1 0 19.60-999 ?-999 ?-999 ? ZN ZN A 375 mLEU.A 123 49.91 -16.10 26.16 49.59 -15.17 26.00 48.67 -18.19 25.44 48.35 -17.78 24.32 49.04 -17.21 26.59 47.76 -16.66 27.23 3 0 19.00-999 ?-999 ?-999 ? ZN ZN A 375 mGLN^A 124 48.69 -19.48 25.75 48.91 -19.66 26.71 47.07 -21.16 25.06 46.62 -21.13 26.21 48.43 -20.54 24.77 49.51 -21.65 24.84 2 0 21.62-999 ?-999 ?-999 ? ZN ZN A 375 mASN^A 125 46.43 -21.70 24.02 46.94 -21.62 23.16 44.08 -21.58 24.92 43.46 -22.15 25.83 45.13 -22.35 24.13 45.28 -23.75 24.72 2 0 20.63-999 ?-999 ?-999 ? O3 TRS A 378 mTHR^A 126 43.87 -20.31 24.58 44.42 -20.00 23.80 41.43 -19.82 25.06 41.04 -20.24 23.97 42.90 -19.47 25.31 43.13 -17.94 25.07 2 0 18.25-999 ?-999 ?-999 ? ZN ZN A 375 mGLU^A 127 40.63 -19.70 26.12 41.12 -19.44 26.95 38.54 -18.69 26.74 39.15 -18.00 27.53 39.18 -19.92 26.09 38.78 -21.16 26.90 2 0 15.93-999 ?-999 ?-999 ? O3 TRS A 378 mVAL^A 128 37.29 -18.42 26.41 36.91 -19.03 25.72 36.43 -17.57 28.56 36.13 -18.70 28.99 36.57 -17.31 27.04 35.16 -17.18 26.40 3 0 14.98-999 ?-999 ?-999 ? ZN ZN A 375 mLEU^A 129 36.64 -16.53 29.35 36.92 -15.70 28.88 34.98 -16.58 31.17 34.44 -17.57 31.67 36.46 -16.61 30.79 37.22 -15.46 31.45 3 0 14.36-999 ?-999 ?-999 ? ZN ZN A 375 mALA^A 130 34.31 -15.47 30.89 34.83 -14.76 30.41 31.98 -15.10 30.05 31.92 -13.99 29.51 32.90 -15.33 31.26 32.77 -14.21 32.26 2 0 13.87-999 ?-999 ?-999 ? ZN ZN A 375 mPRO^A 131 31.26 -16.15 29.61 31.37 -16.98 30.16 29.31 -15.02 28.53 28.70 -14.86 29.57 30.40 -16.09 28.44 29.78 -17.48 28.41 3 0 12.74-999 ?-999 ?-999 ? O3 TRS A 378 mTHR^A 132 29.12 -14.26 27.45 29.72 -14.47 26.68 27.20 -13.30 26.15 26.10 -12.76 26.16 28.09 -13.23 27.42 28.69 -11.79 27.57 2 0 13.88-999 ?-999 ?-999 ? O3 TRS A 378 mTYR^A 133 27.65 -13.96 25.09 28.54 -14.42 25.22 27.21 -15.30 23.10 28.31 -15.81 23.13 26.92 -14.01 23.84 27.25 -12.79 22.95 3 0 11.91-999 ?-999 ?-999 ? O3 TRS A 378 mALA^A 134 26.19 -15.83 22.44 25.33 -15.35 22.58 25.30 -16.76 20.47 24.12 -16.50 20.73 26.32 -16.99 21.58 26.04 -18.24 22.34 2 0 8.75-999 ?-999 ?-999 ? O3 TRS A 378 mGLU^A 135 25.76 -16.81 19.22 26.73 -17.01 19.12 23.84 -17.67 17.96 24.18 -18.85 18.10 24.84 -16.56 18.12 25.57 -16.37 16.80 2 0 9.86-999 ?-999 ?-999 ? O3 TRS A 378 mGLU^A 136 22.62 -17.27 17.64 22.52 -16.28 17.59 21.63 -18.90 16.05 22.04 -18.34 15.03 21.53 -18.18 17.37 20.23 -17.42 17.37 2 0 9.38-999 ?-999 ?-999 ? O3 TRS A 378 mMET^A 137 21.22 -20.16 16.09 20.92 -20.47 16.99 19.75 -21.24 14.56 18.91 -21.22 15.47 21.20 -20.99 14.90 21.93 -22.29 15.19 2 0 8.84-999 ?-999 ?-999 ? C3 TRS A 378 mLYS^A 138 19.45 -21.47 13.27 20.25 -21.41 12.67 18.18 -23.01 11.89 19.21 -23.28 11.30 18.11 -21.79 12.78 17.58 -20.70 11.84 2 0 9.67-999 ?-999 ?-999 ? O1S EPE C 377 mLYS^A 139 17.08 -23.73 11.74 16.31 -23.46 12.33 16.13 -24.38 9.66 14.98 -24.03 9.91 17.05 -24.82 10.77 16.45 -26.10 11.35 2 0 -7.40-999 ?-999 ?-999 ? O1S EPE C 377s mVAL^A 140 16.65 -24.39 8.44 17.62 -24.63 8.40 15.38 -25.36 6.59 16.19 -26.22 6.31 15.83 -24.08 7.28 16.58 -23.17 6.27 3 0 8.45-999 ?-999 ?-999 ? O1S EPE C 377 mVAL^A 141 14.07 -25.49 6.34 13.49 -24.76 6.68 12.80 -26.13 4.39 11.90 -25.30 4.48 13.55 -26.62 5.63 12.63 -27.42 6.52 3 0 8.99-999 ?-999 ?-999 ? O3S EPE C 377 mVAL^A 142 13.18 -26.65 3.22 13.93 -27.31 3.29 12.04 -27.51 1.19 12.70 -28.58 1.21 12.52 -26.27 1.96 13.46 -25.40 1.08 3 0 7.69-999 ?-999 ?-999 ? C2 EPE A 377 mPHE^A 143 10.89 -27.38 0.52 10.44 -26.50 0.62 10.65 -28.22 -1.75 10.49 -27.09 -2.25 10.35 -28.47 -0.28 8.88 -28.69 0.05 3 0 -4.88-999 ?-999 ?-999 ? C2 EPE A 377s mVAL^A 144 11.15 -29.27 -2.42 11.18 -30.12 -1.89 11.24 -30.39 -4.65 11.30 -31.50 -4.16 11.59 -29.15 -3.80 13.15 -28.97 -3.86 3 0 6.67-999 ?-999 ?-999 ? C3 EPE A 377 mPRO~A 145 10.87 -30.20 -5.94 10.72 -29.26 -6.27 12.10 -32.00 -6.94 13.11 -31.29 -6.97 10.72 -31.39 -6.74 10.18 -30.86 -8.08 3 0 6.88-999 ?-999 ?-999 ? C8 EPE A 377 mVAL~A 146 12.14 -33.31 -7.06 11.23 -33.73 -6.99 14.28 -33.52 -8.37 15.50 -33.40 -8.19 13.35 -34.07 -7.27 12.93 -35.51 -7.59 3 0 10.47-999 ?-999 ?-999 ? C8 EPE A 377 mTHR~A 147 13.70 -33.15 -9.50 12.71 -33.29 -9.52 15.31 -31.39 -10.26 16.30 -31.13 -10.94 14.45 -32.60 -10.61 13.52 -32.18 -11.73 2 0 11.95-999 ?-999 ?-999 ? C8 EPE A 377 mHIS~A 148 14.98 -30.65 -9.20 14.18 -30.98 -8.69 16.37 -29.47 -7.48 17.01 -28.50 -7.07 15.75 -29.45 -8.86 14.88 -28.22 -9.02 3 0 11.84-999 ?-999 ?-999 ? C8 EPE A 377 mALA~A 149 16.20 -30.56 -6.76 15.67 -31.27 -7.23 18.22 -30.34 -5.33 18.65 -29.62 -4.43 16.74 -30.68 -5.41 16.48 -32.10 -4.88 2 0 12.11-999 ?-999 ?-999 ? C7 EPE A 377 mGLU~A 150 19.00 -30.82 -6.29 18.51 -31.30 -7.02 20.81 -29.18 -6.50 21.75 -28.69 -5.87 20.43 -30.64 -6.27 21.08 -31.56 -7.30 2 0 14.18-999 ?-999 ?-999 ? C6 EPE C 377 mGLU~A 151 20.08 -28.49 -7.38 19.37 -29.03 -7.83 20.10 -26.28 -6.35 20.86 -25.39 -6.02 20.32 -27.06 -7.62 19.37 -26.48 -8.67 2 0 15.75-999 ?-999 ?-999 ? C7 EPE A 377 mVAL~A 152 19.02 -26.60 -5.66 18.49 -27.34 -6.06 19.67 -26.14 -3.31 20.02 -25.18 -2.60 18.66 -25.92 -4.44 17.20 -26.24 -4.03 3 0 13.59-999 ?-999 ?-999 ? C3 EPE A 377 mARG~A 153 20.14 -27.38 -3.14 19.74 -28.06 -3.75 22.42 -26.94 -2.42 23.02 -26.42 -1.52 21.15 -27.69 -2.13 21.47 -29.17 -2.07 2 0 10.63-999 ?-999 ?-999 ? O1S EPE C 377 mLYS~A 154 22.83 -26.91 -3.68 22.27 -27.42 -4.32 23.89 -24.68 -3.70 24.79 -24.10 -3.13 24.03 -26.17 -4.04 24.40 -26.39 -5.51 2 0 12.79-999 ?-999 ?-999 ? O1S EPE C 377 mALA~A 155 22.73 -24.08 -4.02 22.07 -24.68 -4.49 22.64 -22.47 -2.22 23.36 -21.55 -1.80 22.46 -22.68 -3.71 21.06 -22.28 -4.12 2 0 13.64-999 ?-999 ?-999 ? O1S EPE C 377 mLEU~A 156 21.98 -23.33 -1.44 21.44 -24.00 -1.94 23.45 -23.28 0.57 23.77 -22.45 1.43 22.04 -23.27 0.01 21.27 -24.43 0.63 3 0 10.17-999 ?-999 ?-999 ? O1S EPE C 377 mGLY~A 157 24.30 -24.17 0.08 23.92 -24.74 -0.65 26.63 -23.20 0.12 27.43 -22.71 0.92 25.68 -24.30 0.57-999.99-999.99-999.99 1 0 9.65-999 ?-999 ?-999 ? O1S EPE C 377 mASP~A 158 26.56 -22.83 -1.16 25.92 -23.38 -1.70 27.07 -20.43 -0.98 27.95 -19.56 -0.92 27.34 -21.73 -1.73 27.01 -21.53 -3.21 2 0 13.37-999 ?-999 ?-999 ? O1S EPE C 377 mALA~A 159 25.85 -20.31 -0.46 25.25 -21.09 -0.65 25.84 -19.21 1.78 25.66 -18.24 2.51 25.41 -19.15 0.31 23.88 -18.99 0.22 2 0 13.12-999 ?-999 ?-999 ? O1S EPE C 377 mGLY.A 160 26.38 -20.35 2.21 26.40 -21.08 1.52 26.09 -21.36 4.59 26.45 -21.42 5.77 26.87 -20.51 3.59-999.99-999.99-999.99 1 0 10.75-999 ?-999 ?-999 ? O1S EPE C 377 mALA.A 161 25.00 -21.99 4.15 24.78 -21.81 3.19 24.96 -24.16 5.22 25.74 -24.58 4.37 24.22 -22.86 5.01 22.88 -23.16 4.38 2 0 7.29-999 ?-999 ?-999 ? O1S EPE C 377 mGLY.A 162 24.70 -24.82 6.35 24.02 -24.38 6.94 26.89 -26.01 6.76 27.56 -26.97 6.42 25.38 -26.08 6.68-999.99-999.99-999.99 1 0 4.48-999 ?-999 ?-999 ? O1S EPE C 377 mHIS.A 163 27.44 -24.87 7.19 26.78 -24.15 7.39 29.15 -24.90 8.81 29.06 -23.93 9.57 28.90 -24.73 7.34 29.40 -23.35 6.90 3 0 7.81-999 ?-999 ?-999 ? O1S EPE C 377 mILE.A 164 29.45 -26.13 9.23 29.54 -26.80 8.50 30.85 -27.28 10.90 31.00 -28.37 10.32 29.63 -26.42 10.66 28.39 -27.14 11.25 3 0 7.96-999 ?-999 ?-999 ? O1S EPE C 377 mGLY.A 165 31.72 -26.80 11.78 31.45 -25.92 12.19 33.82 -27.53 10.88 33.94 -26.53 10.17 32.95 -27.51 12.11-999.99-999.99-999.99 1 0 10.53-999 ?-999 ?-999 ? O2 TRS A 378 mASN.A 166 34.40 -28.69 10.62 34.20 -29.42 11.28 34.51 -29.23 8.20 35.12 -29.63 7.21 35.26 -28.86 9.46 36.29 -29.92 9.78 2 0 11.13-999 ?-999 ?-999 ? C3 EPE C 377 mTYR^A 167 33.19 -29.09 8.24 32.83 -28.73 9.10 31.60 -28.25 6.58 31.37 -27.27 7.28 32.37 -29.45 7.11 31.47 -30.65 7.44 3 0 8.49-999 ?-999 ?-999 ? N4 EPE C 377 mSER^A 168 31.25 -28.36 5.31 31.48 -29.24 4.91 29.51 -28.01 3.70 29.57 -29.22 3.49 30.58 -27.33 4.57 31.64 -26.65 3.70 2 0 9.07-999 ?-999 ?-999 ? O1S EPE C 377 mHIS^A 169 28.51 -27.25 3.25 28.57 -26.30 3.58 26.65 -28.96 2.92 26.27 -29.87 2.17 27.45 -27.77 2.36 28.05 -28.17 0.98 3 0 7.85-999 ?-999 ?-999 ? O1S EPE C 377 mCYH^A 170 26.43 -28.95 4.23 26.79 -28.14 4.69 24.25 -29.77 4.83 23.79 -28.73 5.23 25.74 -30.01 4.94 26.10 -29.94 6.43 2 0 -4.42-999 ?-999 ?-999 ? C10 EPE C 377s mTHR^A 171 23.52 -30.73 4.28 24.07 -31.49 3.93 21.62 -32.13 4.42 22.45 -33.04 4.36 22.07 -30.68 4.19 21.56 -30.34 2.75 2 0 -4.42-999 ?-999 ?-999 ? O3S EPE C 377s mPHE^A 172 20.33 -32.33 4.72 19.80 -31.50 4.89 18.45 -33.60 4.03 17.63 -32.69 4.28 19.76 -33.68 4.80 19.54 -34.20 6.22 3 0 4.68-999 ?-999 ?-999 ? O3S EPE C 377 mSER^A 173 18.28 -34.52 3.08 19.04 -35.17 3.02 16.30 -35.86 2.42 16.88 -36.92 2.49 17.10 -34.58 2.20 17.54 -34.59 0.75 2 0 8.14-999 ?-999 ?-999 ? O3S EPE C 377 mSER^A 174 14.98 -35.75 2.52 14.65 -34.81 2.50 13.10 -36.87 1.53 12.62 -35.79 1.17 14.12 -36.94 2.65 13.29 -36.93 3.95 2 0 10.72-999 ?-999 ?-999 ? O3S EPE C 377 mGLU^A 175 12.72 -38.01 0.98 13.21 -38.83 1.30 10.32 -38.35 0.66 10.24 -39.16 1.59 11.66 -38.01 0.00 11.94 -38.98 -1.15 2 0 11.44-999 ?-999 ?-999 ? C2 EPE A 377 mGLY^A 176 9.27 -37.72 0.17 9.47 -37.07 -0.57 6.89 -37.37 -0.22 7.18 -36.90 -1.32 7.94 -37.98 0.68-999.99-999.99-999.99 1 0 9.59-999 ?-999 ?-999 ? C9 EPE A 377 mTHR^A 177 5.67 -37.36 0.28 5.62 -37.72 1.21 3.98 -35.53 0.08 3.70 -35.37 1.26 4.52 -36.86 -0.44 3.38 -37.90 -0.36 2 0 7.43-999 ?-999 ?-999 ? C6 EPE A 377 mGLY^A 178 3.84 -34.58 -0.83 4.15 -34.81 -1.75 1.87 -33.25 -1.07 1.69 -33.69 -2.20 3.25 -33.31 -0.46-999.99-999.99-999.99 1 0 3.80-999 ?-999 ?-999 ? C6 EPE A 377 mTHR^A 179 0.88 -32.77 -0.32 1.15 -32.54 0.61 -0.83 -31.11 -0.98 -0.31 -30.30 -0.19 -0.48 -32.60 -0.86 -1.57 -33.31 -0.02 2 0 4.95-999 ?-999 ?-999 ? C6 EPE A 377 mPHE^A 180 -1.70 -30.76 -1.93 -2.02 -31.54 -2.47 -3.45 -29.28 -3.00 -3.68 -30.09 -3.89 -2.15 -29.37 -2.19 -1.06 -28.55 -2.91 3 0 5.63-999 ?-999 ?-999 ? C5 EPE A 377 mVAL^A 181 -4.29 -28.30 -2.68 -4.00 -27.76 -1.90 -5.46 -26.64 -4.05 -5.82 -25.66 -3.39 -5.53 -28.06 -3.45 -6.82 -28.19 -2.59 3 0 9.13-999 ?-999 ?-999 ? C5 EPE A 377 mPRO^A 182 -4.99 -26.53 -5.32 -4.80 -27.44 -5.70 -5.98 -24.37 -6.27 -7.01 -24.81 -6.77 -4.76 -25.29 -6.09 -4.30 -25.81 -7.46 3 0 8.71-999 ?-999 ?-999 ? O8 EPE A 377 mGLN.A 183 -5.82 -23.10 -5.90 -4.90 -22.90 -5.55 -6.89 -21.36 -7.34 -7.73 -21.65 -8.18 -6.88 -22.08 -5.99 -6.76 -21.04 -4.86 2 0 12.00-999 ?-999 ?-999 ? O8 EPE A 377 mGLN.A 195 -10.73 -31.91 -4.23 -11.38 -31.30 -3.79 -8.33 -32.46 -4.56 -7.74 -31.59 -5.21 -9.77 -32.81 -4.89 -9.96 -32.78 -6.41 2 0 14.02-999 ?-999 ?-999 ? O8 EPE A 377 mLEU.A 196 -7.78 -33.12 -3.55 -8.40 -33.75 -3.08 -5.42 -33.53 -4.22 -5.65 -34.63 -4.74 -6.37 -32.92 -3.19 -6.04 -33.42 -1.77 3 0 10.61-999 ?-999 ?-999 ? C6 EPE A 377 mGLU^A 197 -4.39 -32.77 -4.57 -4.34 -31.88 -4.11 -2.25 -33.71 -4.70 -2.08 -33.24 -3.59 -3.41 -33.24 -5.53 -2.95 -32.08 -6.42 2 0 8.51-999 ?-999 ?-999 ? O8 EPE A 377 mARG^A 198 -1.48 -34.66 -5.20 -1.77 -35.03 -6.09 0.91 -35.17 -5.40 0.78 -35.46 -6.59 -0.30 -35.08 -4.47 -0.53 -36.41 -3.73 2 0 7.51-999 ?-999 ?-999 ? C5 EPE A 377 mVAL^A 199 2.08 -34.91 -4.84 2.01 -34.66 -3.87 4.46 -35.56 -4.73 4.53 -35.30 -3.53 3.33 -34.98 -5.58 3.80 -33.57 -6.08 3 0 6.28-999 ?-999 ?-999 ? C8 EPE A 377 mGLU^A 200 5.32 -36.36 -5.34 5.07 -36.61 -6.28 7.38 -35.54 -4.62 7.46 -34.78 -5.61 6.51 -36.80 -4.68 7.22 -37.91 -5.47 2 0 8.21-999 ?-999 ?-999 ? C8 EPE A 377 mGLU^A 201 7.98 -35.30 -3.45 7.75 -35.97 -2.74 10.04 -34.53 -2.36 10.05 -35.58 -1.73 8.86 -34.16 -3.21 8.17 -33.13 -2.36 2 0 -7.10-999 ?-999 ?-999 ? C8 EPE A 377s mVAL^A 202 10.98 -33.60 -2.29 10.82 -32.82 -2.89 12.09 -32.60 -0.34 11.90 -31.42 -0.67 12.15 -33.71 -1.42 13.46 -33.51 -2.18 3 0 8.61-999 ?-999 ?-999 ? C2 EPE A 377 mARG^A 203 12.24 -33.00 0.91 12.32 -33.99 1.00 13.77 -31.97 2.39 14.39 -32.91 2.85 12.29 -32.09 2.05 11.52 -32.70 3.21 2 0 8.09-999 ?-999 ?-999 ? C2 EPE A 377 mILE^A 204 14.33 -30.81 2.10 13.70 -30.15 1.69 15.86 -29.64 3.62 15.21 -28.58 3.76 15.72 -30.50 2.37 16.31 -29.71 1.22 3 0 7.99-999 ?-999 ?-999 ? O3S EPE C 377 mGLU^A 205 16.68 -30.09 4.56 17.11 -30.98 4.38 18.36 -28.95 5.93 19.25 -29.74 5.57 16.89 -29.28 5.76 16.32 -29.97 7.02 2 0 -5.10-999 ?-999 ?-999 ? O3S EPE C 377s mTHR^A 206 18.62 -27.79 6.48 17.82 -27.24 6.73 20.02 -26.32 7.78 19.03 -25.55 7.99 19.99 -27.38 6.69 20.64 -26.85 5.37 2 0 -3.48-999 ?-999 ?-999 ? O1S EPE C 377s mILE^A 207 21.13 -26.30 8.50 21.81 -26.97 8.23 21.98 -24.04 9.11 22.82 -24.01 8.22 21.31 -25.35 9.57 22.07 -26.01 10.74 3 0 -4.17-999 ?-999 ?-999 ? O1S EPE C 377s mILE^A 208 21.57 -22.93 9.72 20.81 -23.07 10.36 22.37 -20.80 10.70 21.63 -20.96 11.67 22.19 -21.64 9.43 21.33 -20.76 8.47 3 0 7.58-999 ?-999 ?-999 ? O1S EPE C 377 mPRO^A 209 23.39 -19.90 10.70 24.07 -19.97 9.97 22.38 -17.83 11.43 22.17 -17.49 10.26 23.42 -18.91 11.76 24.84 -18.36 11.70 3 0 10.83-999 ?-999 ?-999 ? O1S EPE C 377 mALA.A 210 21.73 -17.32 12.47 22.04 -17.67 13.35 21.04 -15.24 11.36 20.22 -14.84 10.55 20.67 -16.34 12.32 20.26 -15.76 13.68 2 0 13.54-999 ?-999 ?-999 ? O1S EPE C 377 mSER.A 211 22.28 -14.76 11.45 22.84 -15.19 12.16 22.83 -14.05 9.08 22.83 -13.13 8.23 22.77 -13.70 10.58 24.15 -13.17 11.05 2 0 15.60-999 ?-999 ?-999 ? O1S EPE C 377 mLEU~A 212 22.90 -15.34 8.72 22.93 -16.00 9.47 21.55 -15.83 6.68 21.45 -15.98 5.46 22.93 -15.69 7.30 23.81 -16.90 6.96 3 0 13.49-999 ?-999 ?-999 ? O1S EPE C 377 mGLN~A 213 20.50 -15.77 7.50 20.72 -15.57 8.45 18.70 -15.26 5.73 18.29 -15.94 4.79 19.14 -15.96 7.02 18.13 -15.75 8.13 2 0 13.66-999 ?-999 ?-999 ? O1S EPE C 377 mARG~A 214 18.78 -13.92 5.65 19.14 -13.47 6.47 19.06 -13.70 3.21 18.41 -13.97 2.22 18.35 -13.22 4.45 18.52 -11.70 4.57 2 0 16.91-999 ?-999 ?-999 ? O1S EPE C 377 mLYS~A 215 20.39 -13.77 3.28 20.74 -13.50 4.18 20.97 -15.63 1.70 20.87 -15.89 0.49 21.25 -14.20 2.18 22.73 -14.06 2.59 2 0 16.20-999 ?-999 ?-999 ? O1S EPE C 377 mVAL~A 216 20.84 -16.55 2.65 20.94 -16.19 3.58 19.17 -18.12 1.75 19.06 -18.73 0.69 20.56 -17.95 2.37 20.71 -18.83 3.64 3 0 12.81-999 ?-999 ?-999 ? O1S EPE C 377 mILE~A 217 18.14 -17.57 2.40 18.36 -17.14 3.27 16.76 -17.02 0.44 16.23 -17.62 -0.49 16.79 -17.62 1.85 15.72 -16.98 2.77 3 0 14.40-999 ?-999 ?-999 ? O1S EPE C 377 mLYS~A 218 17.36 -15.84 0.26 17.78 -15.45 1.08 17.97 -16.16 -2.13 17.40 -16.30 -3.19 17.38 -15.22 -1.06 18.12 -13.89 -1.01 2 0 17.22-999 ?-999 ?-999 ? C3 EPE A 377 mALA~A 219 19.06 -16.85 -1.82 19.38 -16.71 -0.88 18.92 -18.99 -3.05 18.84 -19.47 -4.18 19.72 -17.73 -2.78 21.10 -18.09 -2.28 2 0 16.16-999 ?-999 ?-999 ? O1S EPE C 377 mMET~A 220 18.33 -19.53 -2.00 18.52 -19.07 -1.13 16.25 -20.44 -2.98 15.86 -21.30 -3.79 17.48 -20.70 -2.10 17.02 -21.06 -0.70 2 0 13.88-999 ?-999 ?-999 ? C3 EPE A 377 mVAL~A 221 15.65 -19.26 -2.81 16.08 -18.63 -2.16 14.75 -18.80 -5.06 14.06 -19.39 -5.89 14.44 -18.94 -3.55 13.75 -17.70 -2.95 3 0 12.65-999 ?-999 ?-999 ? C3 EPE A 377 mTHR~A 222 15.81 -18.06 -5.38 16.26 -17.64 -4.59 16.51 -19.15 -7.52 16.15 -19.27 -8.69 16.28 -17.85 -6.75 17.54 -16.99 -6.74 2 0 15.37-999 ?-999 ?-999 ? C7 EPE A 377 mALA~A 223 17.07 -20.14 -6.82 17.25 -19.89 -5.87 16.19 -22.40 -7.41 16.24 -23.42 -8.11 17.38 -21.44 -7.38 18.48 -22.07 -6.57 2 0 14.37-999 ?-999 ?-999 ? C7 EPE A 377 mHIS~A 224 15.15 -22.10 -6.64 15.24 -21.26 -6.12 13.23 -22.92 -7.94 13.10 -21.84 -8.52 13.98 -22.99 -6.58 13.06 -22.55 -5.45 3 0 10.56-999 ?-999 ?-999 ? C7 EPE A 377 mPRO.A 225 12.74 -24.07 -8.45 12.90 -24.89 -7.91 10.71 -23.28 -9.81 10.22 -22.99 -10.89 12.04 -24.05 -9.75 11.78 -25.53 -10.02 3 0 9.89-999 ?-999 ?-999 ? C7 EPE A 377 mTYR.A 226 10.13 -22.97 -8.66 10.67 -23.19 -7.85 8.78 -20.94 -8.09 9.73 -20.46 -7.49 8.80 -22.36 -8.61 7.84 -23.20 -7.77 3 0 8.19-999 ?-999 ?-999 ? C7 EPE A 377 mGLU.A 227 7.68 -20.25 -8.36 7.01 -20.74 -8.93 7.03 -19.01 -6.39 7.54 -18.29 -5.54 7.47 -18.92 -7.87 6.46 -18.22 -8.74 2 0 10.14-999 ?-999 ?-999 ? C7 EPE A 377 mGLU.A 228 6.10 -19.92 -6.10 5.70 -20.38 -6.89 6.70 -21.15 -4.11 6.73 -22.33 -4.49 5.72 -20.17 -4.72 4.33 -20.78 -4.59 2 0 7.84-999 ?-999 ?-999 ? C7 EPE A 377 mVAL.A 229 7.51 -20.67 -3.17 7.42 -19.69 -3.00 7.92 -21.84 -1.03 7.67 -20.90 -0.24 8.44 -21.56 -2.47 9.85 -20.96 -2.39 3 0 6.83-999 ?-999 ?-999 ? C3 EPE A 377 mALA.A 230 7.72 -23.11 -0.70 7.91 -23.76 -1.43 8.52 -23.80 1.46 9.22 -24.78 1.15 7.28 -23.47 0.64 6.30 -24.70 0.61 2 0 5.06-999 ?-999 ?-999 ? C3 EPE A 377 mTYR^A 231 8.84 -22.95 2.44 8.24 -22.16 2.53 9.67 -22.80 4.73 8.74 -22.02 4.96 10.01 -23.19 3.30 11.28 -22.47 2.81 3 0 6.89-999 ?-999 ?-999 ? O1S EPE A 377 mASP^A 232 10.38 -23.38 5.69 11.05 -24.04 5.38 11.47 -22.68 7.73 12.50 -23.25 7.33 10.14 -23.03 7.10 9.54 -24.20 7.87 2 0 7.43-999 ?-999 ?-999 ? O1S EPE A 377 mVAL^A 233 11.45 -21.78 8.71 10.57 -21.35 8.87 12.36 -21.82 10.93 11.42 -21.32 11.52 12.65 -21.47 9.47 13.03 -20.01 9.32 3 0 11.10-999 ?-999 ?-999 ? O1S EPE A 377 mTYR^A 234 13.12 -22.76 11.50 13.84 -23.14 10.92 13.91 -22.56 13.78 15.08 -22.57 13.44 12.86 -23.16 12.87 13.00 -24.68 13.04 3 0 12.05-999 ?-999 ?-999 ? O3S EPE C 377 mPRO^A 235 13.51 -22.09 14.98 12.52 -22.01 15.11 15.21 -23.04 16.52 14.56 -24.07 16.76 14.51 -21.75 15.98 13.70 -21.13 17.09 3 0 11.35-999 ?-999 ?-999 ? N TRS A 378 mLEU^A 236 16.52 -23.02 16.70 17.00 -22.20 16.38 17.75 -23.74 18.65 17.98 -22.54 18.87 17.13 -24.16 17.32 18.21 -24.75 16.42 3 0 7.65-999 ?-999 ?-999 ? N TRS A 378 mASP^A 237 17.99 -24.71 19.53 17.63 -25.61 19.29 20.21 -24.51 20.47 21.00 -24.06 21.28 18.72 -24.44 20.75 18.36 -25.38 21.90 2 0 5.00-999 ?-999 ?-999 ? N TRS A 378 mASN^A 238 20.61 -25.09 19.33 19.87 -25.47 18.77 22.56 -23.70 19.01 21.87 -22.75 18.59 22.02 -25.14 18.96 22.25 -25.65 17.52 2 0 -3.46-999 ?-999 ?-999 ? N TRS A 378s mLYS^A 239 23.77 -23.52 19.53 24.21 -24.35 19.86 25.57 -22.10 18.69 26.23 -23.12 18.41 24.38 -22.19 19.59 24.82 -21.83 21.00 2 0 -4.23-999 ?-999 ?-999 ? O3 TRS A 378s mGLY^A 240 25.89 -20.86 18.28 25.26 -20.15 18.60 28.21 -20.45 18.39 28.21 -20.99 19.52 27.04 -20.59 17.45-999.99-999.99-999.99 1 0 7.12-999 ?-999 ?-999 ? C3 TRS A 378 mGLU^A 241 29.22 -19.71 17.96 29.09 -19.32 17.05 30.11 -18.63 19.99 29.35 -17.65 19.90 30.40 -19.51 18.77 31.49 -18.90 17.90 2 0 8.86-999 ?-999 ?-999 ? O3 TRS A 378 mTHR^A 242 30.68 -19.02 21.12 31.18 -19.88 21.02 31.63 -17.15 22.46 32.80 -17.35 22.17 30.60 -18.28 22.38 30.80 -19.25 23.61 2 0 9.31-999 ?-999 ?-999 ? O3 TRS A 378 mLEU^A 243 31.17 -15.96 22.83 30.18 -15.93 22.94 31.75 -14.33 24.49 30.71 -14.65 25.06 32.02 -14.80 23.06 31.75 -13.70 22.02 3 0 13.00-999 ?-999 ?-999 ? O3 TRS A 378 mGLY^A 244 32.69 -13.61 25.09 33.50 -13.43 24.54 33.57 -12.20 26.96 34.22 -11.52 26.18 32.51 -13.15 26.46-999.99-999.99-999.99 1 0 11.92-999 ?-999 ?-999 ? ZN ZN A 375 mLEU^A 245 33.75 -12.17 28.28 33.18 -12.81 28.80 35.90 -12.02 29.38 35.78 -13.03 30.07 34.70 -11.28 28.91 34.09 -10.56 30.10 3 0 9.22-999 ?-999 ?-999 ? ZN ZN A 375 mGLY^A 246 37.05 -11.51 29.00 36.97 -10.71 28.41 38.60 -13.40 28.72 37.75 -13.96 28.02 38.31 -12.10 29.42-999.99-999.99-999.99 1 0 9.76-999 ?-999 ?-999 ? ZN ZN A 375 mLYS^A 247 39.81 -13.86 28.96 40.33 -13.29 29.59 41.03 -15.86 29.49 41.54 -15.30 30.44 40.34 -15.07 28.39 41.41 -14.70 27.34 2 0 13.01-999 ?-999 ?-999 ? ZN ZN A 375 mILE^A 248 41.00 -17.17 29.37 40.43 -17.54 28.64 42.65 -18.90 29.44 42.18 -19.49 28.49 41.78 -17.97 30.30 40.92 -18.65 31.37 3 0 16.27-999 ?-999 ?-999 ? ZN ZN A 375 mGLY^A 249 43.94 -18.97 29.76 44.21 -18.42 30.55 46.14 -20.13 29.73 46.21 -19.92 30.94 44.87 -19.78 28.98-999.99-999.99-999.99 1 0 18.94-999 ?-999 ?-999 ? ZN ZN A 375 mTYR^A 250 47.14 -20.63 29.00 46.98 -20.66 28.02 49.66 -20.44 29.20 49.86 -20.07 28.04 48.36 -21.10 29.62 48.53 -22.59 29.38 3 0 21.74-999 ?-999 ?-999 ? ZN ZN A 375 mLEU^A 251 50.56 -20.32 30.16 50.25 -20.57 31.07 52.63 -21.02 29.22 52.29 -22.18 29.47 51.88 -19.84 29.86 52.57 -19.38 31.15 3 0 22.77-999 ?-999 ?-999 ? ZN ZN A 375 mGLN^A 252 53.61 -20.72 28.38 53.75 -19.74 28.23 55.16 -22.57 28.76 55.46 -23.74 28.55 54.39 -21.77 27.74 55.35 -21.19 26.70 2 0 25.84-999 ?-999 ?-999 ? ZN ZN A 375 mGLU^A 253 55.47 -21.93 29.89 55.14 -20.98 29.95 55.87 -22.08 32.32 55.47 -20.92 32.50 56.23 -22.59 30.93 57.72 -22.43 30.65 2 0 27.77-999 ?-999 ?-999 ? ZN ZN A 375 mGLU^A 254 55.99 -22.97 33.30 56.33 -23.87 33.01 56.62 -21.56 35.20 57.82 -21.54 34.88 55.67 -22.64 34.68 55.75 -23.89 35.56 2 0 27.99-999 ?-999 ?-999 ? ZN ZN A 375 mMET^A 255 56.06 -20.63 35.99 55.07 -20.71 36.10 56.34 -19.29 38.00 55.22 -19.64 38.32 56.87 -19.61 36.60 57.01 -18.39 35.68 2 0 27.26-999 ?-999 ?-999 ? ZN ZN A 375 mTHR^A 256 57.16 -18.69 38.87 58.08 -18.52 38.53 55.74 -17.18 40.04 55.72 -16.50 38.97 56.69 -18.34 40.21 57.84 -17.79 41.10 2 0 27.65-999 ?-999 ?-999 ? ZN ZN A 375 mLEU~A 257 54.90 -16.93 41.07 54.93 -17.57 41.83 54.85 -14.44 40.88 54.51 -13.53 40.09 54.01 -15.76 41.03 53.11 -15.70 42.27 3 0 24.73-999 ?-999 ?-999 ? ZN ZN A 375 mGLY~A 258 55.96 -14.35 41.63 56.10 -15.14 42.23 57.38 -12.86 40.12 57.37 -11.67 39.68 56.88 -13.16 41.55-999.99-999.99-999.99 1 0 25.62-999 ?-999 ?-999 ? ZN ZN A 374 mGLN~A 259 57.87 -13.92 39.34 57.89 -14.83 39.76 57.16 -13.42 36.99 57.22 -12.59 36.06 58.34 -13.67 37.95 59.36 -14.70 37.44 2 0 25.64-999 ?-999 ?-999 ? ZN ZN A 375 mPHE~A 260 56.02 -14.10 37.23 56.02 -14.74 37.99 54.50 -12.37 36.44 54.13 -11.77 35.43 54.89 -13.84 36.36 53.67 -14.71 36.68 3 0 22.37-999 ?-999 ?-999 ? ZN ZN A 375 mALA~A 261 54.61 -11.83 37.67 54.92 -12.46 38.38 55.24 -9.50 37.17 54.78 -8.46 36.68 54.29 -10.44 37.93 54.37 -10.19 39.44 2 0 20.86-999 ?-999 ?-999 ? ZN ZN A 374 mGLU~A 262 56.53 -9.85 37.07 56.80 -10.68 37.56 57.10 -9.17 34.81 57.08 -8.20 34.04 57.47 -9.05 36.28 58.95 -9.52 36.46 2 0 22.44-999 ?-999 ?-999 ? ZN ZN A 374 mHIS~A 263 56.74 -10.42 34.43 56.71 -11.10 35.17 55.20 -9.90 32.61 55.12 -9.47 31.47 56.41 -10.74 33.06 56.21 -12.25 32.94 3 0 21.33-999 ?-999 ?-999 ? ZN ZN A 375 mVAL~A 264 54.28 -9.66 33.54 54.46 -10.11 34.42 53.58 -7.32 33.07 53.15 -6.67 32.10 53.11 -8.79 33.29 52.08 -8.93 34.41 3 0 17.70-999 ?-999 ?-999 ? ZN ZN A 375 mLYS~A 265 54.48 -6.82 33.94 54.75 -7.44 34.68 55.77 -5.30 32.43 55.67 -4.26 31.76 54.99 -5.46 33.76 55.89 -5.05 34.93 2 0 18.40-999 ?-999 ?-999 ? ZN ZN A 374 mGLN~A 266 56.56 -6.31 32.06 56.61 -7.06 32.71 56.32 -6.36 29.61 56.37 -5.53 28.70 57.29 -6.28 30.78 58.36 -7.37 30.73 2 0 20.50-999 ?-999 ?-999 ? ZN ZN A 375 mSER~A 267 55.39 -7.32 29.66 55.43 -7.87 30.49 53.41 -6.43 28.32 53.02 -6.21 27.18 54.41 -7.54 28.59 53.58 -8.79 28.91 2 0 17.89-999 ?-999 ?-999 ? ZN ZN A 375 mLEU~A 268 52.97 -5.76 29.39 53.41 -5.99 30.25 52.46 -3.36 29.40 51.70 -2.39 29.44 51.92 -4.77 29.24 50.77 -5.10 30.22 3 0 14.85-999 ?-999 ?-999 ? ZN ZN A 375 mASP.A 269 53.78 -3.27 29.41 54.22 -4.16 29.25 54.03 -1.16 30.74 53.60 -0.04 30.49 54.56 -2.05 29.62 54.82 -1.21 28.36 2 0 17.06-999 ?-999 ?-999 ? ZN ZN A 374 mVAL.A 270 54.04 -1.67 31.97 54.34 -2.63 32.02 54.81 -0.82 34.12 55.50 -1.83 34.30 53.65 -0.86 33.12 52.33 -1.33 33.79 3 0 16.19-999 ?-999 ?-999 ? ZN ZN A 374 mLYS.A 271 55.03 0.33 34.77 54.39 1.06 34.54 55.81 -0.23 37.06 56.72 -0.57 37.79 56.12 0.48 35.73 56.47 1.96 35.97 2 0 19.13-999 ?-999 ?-999 ? ZN ZN A 374 mGLY.A 272 54.55 -0.49 37.35 53.88 -0.20 36.67 52.98 -2.04 38.60 52.13 -1.94 37.70 54.23 -1.17 38.61-999.99-999.99-999.99 1 0 18.36-999 ?-999 ?-999 ? ZN ZN A 374 mALA.A 273 52.85 -2.89 39.61 53.60 -2.88 40.27 51.56 -4.16 41.17 52.53 -4.18 41.90 51.72 -3.77 39.72 51.92 -5.01 38.86 2 0 17.07-999 ?-999 ?-999 ? ZN ZN A 374 mARG^A 274 50.33 -4.44 41.56 49.64 -4.31 40.85 49.68 -6.37 42.80 48.88 -6.79 41.94 50.03 -4.89 42.91 48.85 -4.13 43.53 2 0 17.98-999 ?-999 ?-999 ? ZN ZN A 374 mVAL^A 275 50.27 -7.15 43.70 50.84 -6.66 44.36 49.38 -9.09 44.96 49.73 -8.70 46.07 50.08 -8.59 43.71 51.44 -9.34 43.65 3 0 19.84-999 ?-999 ?-999 ? ZN ZN A 374 mVAL^A 276 48.41 -9.97 44.75 48.18 -10.10 43.79 48.18 -12.16 45.76 48.02 -12.80 44.71 47.74 -10.69 45.84 46.22 -10.62 45.71 3 0 20.99-999 ?-999 ?-999 ? ZN ZN A 374 mGLY.A 277 48.74 -12.68 46.85 48.80 -12.04 47.61 50.71 -14.20 47.27 51.41 -13.20 47.44 49.23 -14.07 46.91-999.99-999.99-999.99 1 0 24.28-999 ?-999 ?-999 ? ZN ZN A 374 mLYS.A 278 51.19 -15.45 47.40 50.51 -16.17 47.25 53.48 -15.62 46.50 53.30 -16.40 45.56 52.59 -15.70 47.74 52.79 -17.11 48.32 2 0 27.47-999 ?-999 ?-999 ? ZN ZN A 374 mLEU.A 279 54.45 -14.72 46.53 54.50 -14.19 47.38 56.10 -15.81 45.03 56.50 -15.98 43.88 55.37 -14.52 45.41 56.39 -13.42 45.75 3 0 27.13-999 ?-999 ?-999 ? ZN ZN A 374 mASP.A 280 56.24 -16.71 46.00 55.83 -16.44 46.86 56.15 -19.14 45.21 56.74 -20.06 44.65 56.95 -17.99 45.81 57.62 -18.45 47.11 2 0 30.30-999 ?-999 ?-999 ? ZN ZN A 374 mASP.A 281 54.82 -19.12 45.32 54.41 -18.34 45.79 53.97 -20.27 43.21 54.10 -19.22 42.55 54.11 -20.27 44.74 52.87 -20.75 45.53 2 0 29.35-999 ?-999 ?-999 ? ZN ZN A 375 mLYS^A 282 53.74 -21.46 42.68 53.54 -22.19 43.34 52.54 -21.27 40.44 51.40 -21.38 40.90 53.78 -21.68 41.24 54.42 -23.03 40.92 2 0 28.32-999 ?-999 ?-999 ? ZN ZN A 375 mVAL^A 283 52.82 -20.78 39.23 53.79 -20.81 38.99 51.93 -20.79 36.92 53.02 -20.82 36.36 51.81 -20.25 38.35 51.81 -18.68 38.42 3 0 24.97-999 ?-999 ?-999 ? ZN ZN A 375 mARG^A 284 50.80 -21.23 36.35 50.00 -21.14 36.93 49.53 -21.35 34.15 49.68 -20.88 33.03 50.77 -21.79 34.98 50.88 -23.32 35.05 2 0 24.45-999 ?-999 ?-999 ? ZN ZN A 375 mLYS^A 285 48.33 -21.50 34.71 48.35 -21.92 35.61 46.76 -19.66 34.43 46.75 -19.36 35.61 47.09 -21.09 34.01 45.94 -22.05 34.33 2 0 21.76-999 ?-999 ?-999 ? ZN ZN A 375 mVAL^A 286 46.53 -18.77 33.46 46.50 -19.16 32.54 45.01 -16.87 33.22 44.65 -17.18 32.08 46.33 -17.37 33.74 47.41 -16.53 33.06 3 0 18.21-999 ?-999 ?-999 ? ZN ZN A 375 mALA^A 287 44.26 -16.12 34.02 44.62 -16.01 34.95 43.37 -14.05 33.36 44.23 -13.54 34.10 43.01 -15.52 33.51 41.87 -15.70 34.47 2 0 15.10-999 ?-999 ?-999 ? ZN ZN A 375 mVAL^A 288 42.79 -13.37 32.38 42.18 -13.92 31.81 41.72 -11.31 31.84 40.91 -11.94 31.17 43.05 -11.94 32.21 44.13 -11.65 31.13 3 0 11.69-999 ?-999 ?-999 ? ZN ZN A 375 mLEU^A 289 41.49 -10.09 32.32 42.19 -9.74 32.94 40.73 -7.93 32.11 41.19 -7.55 33.19 40.29 -9.36 31.95 39.10 -9.73 32.85 3 0 8.26-999 ?-999 ?-999 ? ZN ZN A 375 mGLY^A 290 40.66 -7.16 31.03 40.34 -7.62 30.20 39.92 -5.01 31.77 38.77 -5.43 31.75 41.03 -5.77 31.09-999.99-999.99-999.99 1 0 5.60-999 ?-999 ?-999 ? ZN ZN A 375 mGLY^A 291 40.27 -3.88 32.38 41.25 -3.67 32.32 39.07 -3.49 34.47 39.96 -4.08 35.09 39.29 -3.03 33.06-999.99-999.99-999.99 1 0 4.06-999 ?-999 ?-999 ? ZN ZN A 374 mASP^A 292 37.87 -3.23 34.96 37.29 -2.76 34.29 36.83 -4.97 36.30 35.68 -5.17 35.90 37.41 -3.56 36.31 36.33 -2.54 36.72 2 0 6.52-999 ?-999 ?-999 ? ZN ZN A 374 mGLY.A 293 37.62 -5.93 36.77 38.51 -5.63 37.10 36.94 -7.89 38.18 37.15 -9.08 38.38 37.16 -7.31 36.80-999.99-999.99-999.99 1 0 9.40-999 ?-999 ?-999 ? ZN ZN A 374 mASN.A 294 36.53 -7.05 39.14 36.45 -6.10 38.84 35.12 -8.58 40.50 35.20 -9.55 41.25 36.23 -7.50 40.49 35.77 -6.31 41.36 2 0 12.30-999 ?-999 ?-999 ? ZN ZN A 374 mLYS.A 295 34.11 -8.39 39.66 34.21 -7.56 39.11 33.33 -10.74 39.18 32.57 -11.66 39.45 32.96 -9.31 39.54 32.04 -8.85 38.40 2 0 13.55-999 ?-999 ?-999 ? ZN ZN A 374 mTYR~A 296 34.52 -10.93 38.60 35.13 -10.14 38.60 35.84 -13.12 38.70 36.20 -14.13 38.12 34.84 -12.22 38.02 35.21 -12.03 36.54 3 0 13.78-999 ?-999 ?-999 ? ZN ZN A 375 mILE~A 297 36.27 -12.79 39.92 35.87 -11.95 40.29 36.79 -15.07 40.76 37.62 -15.99 40.59 37.24 -13.63 40.63 37.67 -13.06 42.03 3 0 16.41-999 ?-999 ?-999 ? ZN ZN A 375 mASN~A 298 35.49 -15.28 41.01 34.95 -14.43 41.08 34.95 -17.46 39.92 35.17 -18.67 40.00 34.90 -16.61 41.17 33.43 -16.52 41.59 2 0 19.08-999 ?-999 ?-999 ? ZN ZN A 375 mGLN~A 299 34.68 -16.82 38.79 34.46 -15.85 38.90 36.16 -17.83 37.23 36.47 -18.93 36.80 34.70 -17.49 37.52 34.09 -16.56 36.47 2 0 17.68-999 ?-999 ?-999 ? ZN ZN A 375 mALA~A 300 37.06 -16.91 37.53 36.69 -16.07 37.94 38.97 -18.36 38.00 39.59 -19.23 37.38 38.46 -17.14 37.26 39.29 -15.90 37.59 2 0 17.10-999 ?-999 ?-999 ? ZN ZN A 375 mLYS~A 301 38.69 -18.45 39.30 38.18 -17.67 39.66 38.46 -20.89 39.65 39.12 -21.92 39.56 39.11 -19.59 40.11 38.78 -19.39 41.59 2 0 20.73-999 ?-999 ?-999 ? ZN ZN A 375 mPHE~A 302 37.17 -20.83 39.35 36.76 -19.91 39.43 36.95 -22.59 37.62 36.95 -23.79 37.41 36.43 -22.02 38.93 34.93 -21.74 38.82 3 0 20.75-999 ?-999 ?-999 ? O1 TRS A 378 mLYS~A 303 37.40 -21.71 36.74 37.35 -20.76 37.05 39.38 -22.64 35.56 40.02 -22.96 34.55 37.93 -22.13 35.45 37.81 -20.95 34.48 2 0 19.05-999 ?-999 ?-999 ? O3 TRS A 378 mGLY.A 304 39.90 -22.71 36.79 39.27 -22.39 37.50 42.42 -22.25 36.99 43.57 -22.68 36.86 41.24 -23.22 37.09-999.99-999.99-999.99 1 0 22.37-999 ?-999 ?-999 ? O3 TRS A 378 mALA.A 305 42.16 -20.95 37.05 41.20 -20.71 37.18 44.15 -20.03 38.16 43.66 -19.98 39.29 43.26 -20.00 36.94 42.76 -18.58 36.69 2 0 20.34-999 ?-999 ?-999 ? ZN ZN A 375 mASP.A 306 45.46 -20.15 37.90 45.65 -20.27 36.93 46.73 -18.64 39.28 47.32 -18.37 40.32 46.50 -20.11 38.91 47.82 -20.71 38.37 2 0 22.44-999 ?-999 ?-999 ? ZN ZN A 375 mVAL^A 307 46.27 -17.72 38.44 45.82 -18.09 37.63 45.53 -15.49 37.75 45.23 -15.95 36.65 46.44 -16.28 38.69 47.94 -15.81 38.57 3 0 19.41-999 ?-999 ?-999 ? ZN ZN A 375 mTYR^A 308 45.10 -14.31 38.19 45.48 -14.04 39.07 44.67 -12.09 37.29 45.01 -11.44 38.26 44.14 -13.50 37.45 42.81 -13.55 38.20 3 0 15.74-999 ?-999 ?-999 ? ZN ZN A 375 mVAL^A 309 44.82 -11.65 36.05 44.59 -12.31 35.35 44.07 -9.38 35.48 43.36 -9.61 34.51 45.28 -10.30 35.78 46.25 -10.27 34.59 3 0 13.31-999 ?-999 ?-999 ? ZN ZN A 375 mTHR^A 310 43.85 -8.36 36.30 44.52 -8.28 37.05 43.04 -6.10 36.80 43.92 -6.07 37.63 42.72 -7.43 36.10 41.38 -8.05 36.67 2 0 10.38-999 ?-999 ?-999 ? ZN ZN A 374 mGLY^A 311 42.33 -5.03 36.49 41.65 -5.18 35.77 41.46 -3.34 38.15 40.41 -4.00 38.27 42.54 -3.74 37.15-999.99-999.99-999.99 1 0 8.82-999 ?-999 ?-999 ? ZN ZN A 374 mASP.A 312 41.72 -2.27 38.90 42.63 -1.87 38.72 40.42 -2.68 41.02 39.36 -2.56 41.57 40.78 -1.73 39.87 39.49 -1.24 39.18 2 0 9.75-999 ?-999 ?-999 ? ZN ZN A 374 mMET.A 313 41.29 -3.62 41.37 42.13 -3.63 40.83 40.73 -3.79 43.81 41.56 -3.02 44.30 41.01 -4.53 42.47 42.19 -5.47 42.64 2 0 12.95-999 ?-999 ?-999 ? ZN ZN A 374 mTYR~A 314 39.53 -3.98 44.37 38.92 -4.58 43.86 39.73 -4.24 46.76 39.93 -5.43 46.55 39.20 -3.35 45.65 37.69 -3.15 45.85 3 0 15.17-999 ?-999 ?-999 ? O8 EPE A 376 mTYR~A 315 39.95 -3.65 47.93 39.74 -2.68 47.90 39.73 -5.60 49.59 40.32 -6.67 49.70 40.45 -4.34 49.15 40.35 -3.36 50.34 3 0 18.44-999 ?-999 ?-999 ? O8 EPE A 376 mHIS~A 316 38.44 -5.45 49.87 38.10 -4.51 49.75 37.47 -7.64 49.29 37.24 -8.79 49.66 37.62 -6.54 50.32 36.26 -6.01 50.80 3 0 19.88-999 ?-999 ?-999 ? O8 EPE A 376 mVAL~A 317 37.60 -7.28 48.01 37.74 -6.31 47.86 38.92 -8.99 46.85 38.99 -10.14 46.44 37.54 -8.27 46.94 37.05 -7.67 45.61 3 0 18.11-999 ?-999 ?-999 ? ZN ZN A 374 mALA~A 318 40.00 -8.32 47.24 39.83 -7.36 47.47 41.28 -10.01 48.45 41.72 -11.15 48.29 41.32 -8.99 47.30 42.41 -8.00 47.53 2 0 19.12-999 ?-999 ?-999 ? ZN ZN A 374 mHIS~A 319 40.74 -9.62 49.60 40.48 -8.66 49.66 39.71 -11.78 50.22 40.03 -12.91 50.56 40.55 -10.59 50.68 39.98 -9.97 51.95 3 0 22.68-999 ?-999 ?-999 ? ZN ZN A 374 mASP~A 320 38.66 -11.54 49.44 38.50 -10.57 49.25 38.66 -13.56 48.01 38.59 -14.79 48.10 37.82 -12.65 48.93 36.60 -12.13 48.17 2 0 -22.07-999 ?-999 ?-999 ? ZN ZN A 374s mALA~A 321 39.43 -12.94 47.13 39.32 -11.94 47.15 41.30 -14.53 47.02 41.48 -15.71 46.69 40.35 -13.63 46.22 41.15 -12.61 45.43 2 0 20.71-999 ?-999 ?-999 ? ZN ZN A 374 mMET~A 322 41.89 -13.97 48.08 41.70 -12.99 48.19 41.97 -15.90 49.54 42.44 -17.04 49.45 42.74 -14.71 48.99 43.23 -13.84 50.13 2 0 23.89-999 ?-999 ?-999 ? ZN ZN A 374 mMET~A 323 40.79 -15.67 50.09 40.48 -14.72 50.09 39.74 -17.86 49.60 39.65 -19.03 49.96 40.04 -16.78 50.64 38.78 -16.32 51.38 2 0 26.04-999 ?-999 ?-999 ? ZN ZN A 374 mLEU~A 324 39.61 -17.48 48.33 39.70 -16.49 48.18 40.62 -19.27 46.89 40.53 -20.36 46.33 39.37 -18.47 47.25 38.83 -17.83 45.97 3 0 24.67-999 ?-999 ?-999 ? ZN ZN A 375 mGLY~A 325 41.78 -18.73 47.23 41.71 -17.88 47.75 43.33 -18.93 45.43 43.81 -19.74 44.63 43.05 -19.34 46.86-999.99-999.99-999.99 1 0 25.53-999 ?-999 ?-999 ? ZN ZN A 375 mLEU.A 326 43.00 -17.69 45.09 42.60 -17.16 45.84 44.20 -15.98 43.85 43.94 -15.01 44.59 43.22 -17.14 43.76 41.91 -16.58 43.18 3 0 21.92-999 ?-999 ?-999 ? ZN ZN A 375 mASN^A 327 45.30 -16.08 43.11 45.37 -16.93 42.59 45.91 -13.93 42.08 45.21 -14.21 41.10 46.31 -15.02 43.07 47.65 -15.59 42.64 2 0 21.18-999 ?-999 ?-999 ? ZN ZN A 374 mILE^A 328 46.38 -12.70 42.32 46.96 -12.62 43.13 47.29 -10.76 41.11 48.17 -10.60 41.92 46.06 -11.58 41.45 45.06 -10.60 42.14 3 0 17.79-999 ?-999 ?-999 ? ZN ZN A 374 mVAL^A 329 47.37 -10.30 39.87 46.73 -10.69 39.22 47.46 -8.13 39.02 46.62 -8.32 38.15 48.33 -9.29 39.53 49.30 -9.73 38.45 3 0 16.59-999 ?-999 ?-999 ? ZN ZN A 374 mASP^A 330 47.61 -6.95 39.60 48.31 -6.92 40.31 47.74 -4.75 38.60 48.37 -4.02 39.36 46.79 -5.80 39.17 45.96 -5.26 40.35 2 0 13.65-999 ?-999 ?-999 ? ZN ZN A 374 mPRO.A 331 47.87 -4.70 37.26 47.32 -5.40 36.81 47.96 -2.44 36.19 48.44 -1.59 35.43 48.71 -3.75 36.49 48.93 -4.49 35.19 3 0 12.97-999 ?-999 ?-999 ? ZN ZN A 374 mGLY~A 332 46.77 -2.29 36.74 46.47 -3.04 37.34 45.09 -1.34 35.29 45.37 -2.12 34.38 46.00 -1.11 36.47-999.99-999.99-999.99 1 0 10.15-999 ?-999 ?-999 ? ZN ZN A 374 mHIS~A 333 43.97 -0.66 35.35 43.88 -0.14 36.20 43.50 -0.02 33.02 43.04 -0.37 31.94 42.95 -0.63 34.33 41.87 0.30 34.89 3 0 -6.40-999 ?-999 ?-999 ? ZN ZN A 374s mASN~A 334 44.51 0.86 33.11 44.86 1.03 34.03 45.67 0.55 30.92 45.81 0.85 29.74 45.02 1.52 31.92 45.98 2.64 32.26 2 0 7.63-999 ?-999 ?-999 ? ZN ZN A 374 mVAL~A 335 46.00 -0.64 31.41 45.76 -0.74 32.37 45.85 -2.09 29.36 46.36 -2.80 28.47 46.65 -1.70 30.63 46.82 -2.92 31.54 3 0 9.15-999 ?-999 ?-999 ? ZN ZN A 374 mGLU~A 336 44.59 -1.64 29.30 44.28 -1.17 30.13 44.13 -0.91 26.99 43.49 -0.91 25.94 43.73 -1.81 28.15 42.31 -1.42 28.51 2 0 6.51-999 ?-999 ?-999 ? ZN ZN A 375s mLYS~A 337 45.16 -0.10 27.18 45.55 -0.13 28.10 45.95 -0.04 24.87 45.97 0.52 23.77 45.66 0.76 26.15 46.97 1.42 26.64 2 0 9.30-999 ?-999 ?-999 ? ZN ZN A 374 mVAL~A 338 46.18 -1.36 25.00 46.11 -1.69 25.95 45.45 -2.08 22.78 45.72 -2.13 21.59 46.51 -2.21 23.86 46.81 -3.69 24.27 3 0 10.41-999 ?-999 ?-999 ? ZN ZN A 375 mMET~A 339 44.22 -1.87 23.21 44.13 -1.84 24.21 43.35 -0.54 21.29 42.78 -0.54 20.21 43.12 -1.71 22.29 41.83 -1.66 23.12 2 0 8.66-999 ?-999 ?-999 ? ZN ZN A 375 mLYS~A 340 44.23 0.42 21.61 44.68 0.29 22.49 45.19 1.16 19.40 44.67 1.40 18.31 44.47 1.55 20.70 45.21 2.70 21.39 2 0 11.43-999 ?-999 ?-999 ? ZN ZN A 375 mGLN~A 341 46.39 0.58 19.50 46.77 0.51 20.42 46.36 -1.15 17.75 46.48 -1.47 16.56 47.06 0.09 18.30 48.56 -0.17 18.51 2 0 14.45-999 ?-999 ?-999 ? ZN ZN A 375 mGLY~A 342 45.61 -1.83 18.62 45.59 -1.45 19.54 43.86 -2.71 17.19 43.91 -3.24 16.08 44.89 -3.04 18.23-999.99-999.99-999.99 1 0 12.90-999 ?-999 ?-999 ? ZN ZN A 375 mVAL~A 343 42.93 -1.84 17.56 43.06 -1.51 18.50 42.31 -0.59 15.50 41.76 -0.74 14.41 41.83 -1.38 16.72 40.76 -0.58 17.56 3 0 12.79-999 ?-999 ?-999 ? ZN ZN A 375 mGLN~A 344 43.36 0.20 15.68 43.74 0.21 16.60 44.29 0.07 13.41 43.96 0.32 12.25 43.90 0.99 14.57 45.14 1.74 15.01 2 0 15.91-999 ?-999 ?-999 ? ZN ZN A 375 mLYS~A 345 45.04 -0.98 13.75 45.21 -1.02 14.73 44.39 -2.68 12.10 44.36 -2.73 10.87 45.56 -1.99 12.81 46.45 -2.99 13.60 2 0 17.87-999 ?-999 ?-999 ? ZN ZN A 375 mGLN~A 346 43.42 -3.16 12.89 43.61 -3.01 13.86 41.32 -2.93 11.57 40.73 -3.37 10.58 42.21 -3.85 12.40 41.37 -4.38 13.57 2 0 17.02-999 ?-999 ?-999 ? ZN ZN A 375 mLEU~A 347 41.19 -1.67 11.99 41.68 -1.45 12.83 41.07 -0.22 9.94 40.40 0.01 8.92 40.37 -0.74 11.22 39.84 0.41 12.10 3 0 17.76-999 ?-999 ?-999 ? ZN ZN A 375 mGLN~A 348 42.40 -0.05 9.98 42.83 -0.24 10.87 43.01 -0.71 7.72 42.89 -0.40 6.54 43.13 0.38 8.79 44.61 0.64 9.08 2 0 20.87-999 ?-999 ?-999 ? ZN ZN A 375 mGLU~A 349 43.05 -1.98 8.15 43.16 -2.08 9.14 41.58 -3.15 6.54 41.49 -3.54 5.39 42.92 -3.11 7.22 43.20 -4.45 7.90 2 0 22.15-999 ?-999 ?-999 ? ZN ZN A 375 mLYS~A 350 40.52 -2.78 7.26 40.73 -2.52 8.20 39.02 -1.65 5.66 38.52 -1.87 4.55 39.19 -2.77 6.68 38.13 -2.62 7.78 2 0 22.03-999 ?-999 ?-999 ? ZN ZN A 375 mVAL~A 351 39.49 -0.47 6.05 39.94 -0.50 6.94 40.19 0.67 3.95 39.74 1.13 2.90 39.36 0.74 5.25 39.63 2.00 6.15 3 0 23.68-999 ?-999 ?-999 ? ZN ZN A 375 mASP~A 352 41.38 0.07 4.03 41.61 -0.25 4.95 41.67 -1.11 1.89 41.78 -0.92 0.68 42.26 -0.11 2.88 43.66 -0.56 3.32 2 0 26.32-999 ?-999 ?-999 ? ZN ZN A 375 mALA~A 353 41.06 -2.18 2.40 41.10 -2.23 3.40 39.23 -2.57 0.81 38.92 -2.99 -0.30 40.40 -3.18 1.57 39.94 -4.34 2.42 2 0 27.24-999 ?-999 ?-999 ? ZN ZN A 375 mLYS~A 354 38.58 -1.57 1.39 38.93 -1.33 2.30 37.95 0.26 -0.13 37.15 1.03 -0.67 37.47 -0.90 0.73 36.47 -0.38 1.77 2 0 27.94-999 ?-999 ?-999 ? ZN ZN A 375 mLYS.A 355 39.28 0.38 -0.24 39.78 -0.30 0.29 39.51 2.83 -0.67 39.28 3.69 -1.52 39.94 1.41 -1.05 39.73 1.16 -2.55 2 0 30.04-999 ?-999 ?-999 ? ZN ZN A 375 mLEU.A 356 39.40 3.05 0.63 39.60 2.26 1.21 40.30 5.08 1.60 41.22 4.47 2.19 39.03 4.35 1.16 38.06 4.19 2.32 3 0 28.34-999 ?-999 ?-999 ? ZN ZN A 375 mASN.A 357 40.35 6.37 1.29 39.53 6.73 0.85 41.42 7.93 2.91 41.24 9.15 2.97 41.52 7.19 1.57 41.74 8.14 0.39 2 0 29.03-999 ?-999 ?-999 ? ZN ZN A 375 mVAL.A 358 41.55 7.14 3.99 41.70 6.18 3.74 42.64 7.01 6.17 43.08 5.88 5.92 41.47 7.59 5.38 40.23 7.01 6.09 3 0 25.66-999 ?-999 ?-999 ? ZN ZN A 375 mHIS^A 359 43.11 7.78 7.14 42.66 8.66 7.24 43.71 7.12 9.40 43.05 7.99 9.98 44.20 7.33 7.97 45.33 8.34 7.92 3 0 23.87-999 ?-999 ?-999 ? ZN ZN A 375 mILE^A 360 44.00 5.95 9.95 44.50 5.31 9.36 44.81 5.80 12.21 45.86 5.18 11.96 43.59 5.65 11.32 43.03 4.23 11.48 3 0 20.12-999 ?-999 ?-999 ? ZN ZN A 375 mHIS^A 361 44.69 6.64 13.24 43.78 7.05 13.33 45.45 6.40 15.51 44.29 6.45 15.90 45.81 6.91 14.13 46.09 8.41 14.24 3 0 19.24-999 ?-999 ?-999 ? ZN ZN A 375 mALA^A 362 46.44 5.91 16.23 47.32 5.88 15.76 46.83 6.54 18.50 48.00 6.90 18.36 46.25 5.46 17.59 47.00 4.15 17.82 2 0 16.27-999 ?-999 ?-999 ? ZN ZN A 375 mSER.A 363 46.02 7.03 19.43 45.10 6.66 19.44 47.82 7.60 21.01 47.93 6.45 21.45 46.51 8.06 20.34 45.44 8.35 21.37 2 0 15.94-999 ?-999 ?-999 ? ZN ZN A 374 mGLN.A 364 48.81 8.49 21.05 48.59 9.37 20.63 50.13 8.57 23.14 51.10 8.26 23.84 50.09 8.19 21.67 51.19 9.03 20.99 2 0 17.51-999 ?-999 ?-999 ? ZN ZN A 374 mLEU.A 365 49.09 9.24 23.61 48.31 9.33 22.99 48.92 8.80 26.06 48.05 7.91 25.99 49.13 9.80 24.95 48.19 10.99 25.08 3 0 16.24-999 ?-999 ?-999 ? ZN ZN A 374 mHIS.A 366 49.75 8.93 27.08 50.42 9.66 26.99 48.55 8.62 29.15 48.63 9.76 29.61 49.66 8.07 28.24 51.00 8.01 28.96 3 0 14.75-999 ?-999 ?-999 ? ZN ZN A 374 mTHR.A 367 47.52 7.82 29.37 47.58 6.92 28.95 46.23 7.50 31.51 45.15 7.47 32.08 46.41 8.27 30.19 45.07 8.27 29.40 2 0 12.13-999 ?-999 ?-999 ? ZN ZN A 374 mASP.A 368 47.28 6.87 32.02 48.10 6.88 31.45 47.28 7.32 34.39 48.32 8.03 34.42 47.15 6.22 33.33 48.24 5.16 33.58 2 0 11.69-999 ?-999 ?-999 ? ZN ZN A 374 mPRO.A 369 46.26 7.47 35.26 45.47 6.86 35.15 47.38 8.16 37.40 47.89 9.06 38.08 46.38 8.52 36.28 44.96 8.62 36.86 3 0 12.76-999 ?-999 ?-999 ? C8 EPE A 376 mPHE.A 370 47.65 6.87 37.56 47.20 6.27 36.90 50.00 6.30 38.25 50.38 5.84 37.17 48.52 6.38 38.60 48.09 4.97 39.02 3 0 14.88-999 ?-999 ?-999 ? ZN ZN A 374 mILE.A 371 50.84 6.74 39.19 50.38 7.15 39.98 52.65 5.86 40.33 52.29 6.25 41.43 52.27 6.64 39.08 52.95 8.03 39.08 3 0 18.11-999 ?-999 ?-999 ? ZN ZN A 374 mPHE.A 372 53.38 4.75 40.17 53.64 4.55 39.22 54.97 4.45 42.04 56.01 4.66 41.40 53.74 3.93 41.32 54.01 2.49 40.87 3 0 19.65-999 ?-999 ?-999 ? ZN ZN A 374 mVAL.A 373 54.86 4.66 43.35 53.94 4.53 43.73 56.28 4.01 45.25 57.28 4.09 45.99 56.03 5.05 44.14 55.96 6.50 44.72 3 0 23.30-999 ?-999 ?-999 ? ZN ZN A 374 mSER.B 2 -34.42 -17.32 15.77 -34.45 -18.10 15.14 -34.69 -16.48 18.19 -35.59 -17.29 18.47 -34.38 -16.15 16.72 -35.31 -15.01 16.26 2 0 33.34-999 ?-999 ?-999 ? ZN ZN B 375 mLYS.B 3 -33.93 -15.85 19.10 -33.17 -15.34 18.68 -33.33 -14.80 21.23 -32.39 -14.28 20.62 -34.16 -15.88 20.56 -33.88 -17.24 21.23 2 0 32.61-999 ?-999 ?-999 ? ZN ZN B 375 mILE.B 4 -33.70 -14.44 22.45 -34.50 -14.94 22.80 -31.75 -13.99 23.84 -31.78 -14.95 24.62 -33.01 -13.42 23.22 -33.92 -12.79 24.30 3 0 30.20-999 ?-999 ?-999 ? ZN ZN B 375 mPRO.B 5 -30.61 -13.42 23.48 -30.74 -12.66 22.84 -29.07 -13.40 25.42 -29.80 -12.54 25.94 -29.31 -13.86 23.99 -28.34 -13.11 23.08 3 0 27.62-999 ?-999 ?-999 ? ZN ZN B 375 mASN~B 6 -28.09 -14.00 26.08 -27.66 -14.78 25.62 -26.45 -12.68 27.13 -25.89 -12.72 26.00 -27.70 -13.49 27.37 -27.54 -14.58 28.45 2 0 26.65-999 ?-999 ?-999 ? ZN ZN B 375 mGLY~B 7 -26.00 -11.96 28.14 -26.51 -12.05 29.00 -23.59 -11.82 27.50 -22.86 -11.33 26.68 -24.83 -11.10 27.95-999.99-999.99-999.99 1 0 23.15-999 ?-999 ?-999 ? ZN ZN B 375 mHIS~B 8 -23.33 -13.00 28.06 -24.01 -13.29 28.73 -22.07 -14.14 26.25 -20.97 -14.18 25.71 -22.14 -13.77 27.70 -22.01 -15.02 28.54 3 0 23.28-999 ?-999 ?-999 ? ZN ZN B 375 mGLU~B 9 -23.22 -14.41 25.61 -24.04 -14.35 26.18 -22.88 -13.59 23.34 -22.12 -13.69 22.39 -23.25 -14.79 24.20 -24.63 -15.31 23.76 2 0 24.16-999 ?-999 ?-999 ? ZN ZN B 375 mILE~B 10 -23.41 -12.43 23.71 -24.01 -12.48 24.51 -21.67 -10.90 23.10 -21.02 -10.53 22.12 -23.13 -11.22 22.98 -23.95 -10.07 23.54 3 0 21.28-999 ?-999 ?-999 ? ZN ZN B 375 mILE~B 11 -21.16 -11.10 24.30 -21.78 -11.51 24.96 -18.82 -11.67 23.89 -17.78 -11.23 23.42 -19.78 -10.74 24.59 -19.58 -10.51 26.10 3 0 18.92-999 ?-999 ?-999 ? ZN ZN B 375 mSER~B 12 -19.17 -12.94 23.76 -20.00 -13.21 24.25 -18.23 -13.33 21.55 -17.14 -13.33 21.02 -18.37 -13.85 22.96 -19.00 -15.23 22.81 2 0 20.63-999 ?-999 ?-999 ? ZN ZN B 375 mLEU~B 13 -19.34 -12.90 20.95 -20.17 -12.90 21.50 -18.39 -11.24 19.46 -17.60 -11.12 18.51 -19.26 -12.48 19.57 -20.65 -12.23 18.98 3 0 20.03-999 ?-999 ?-999 ? ZN ZN B 375 mPHE~B 14 -18.54 -10.32 20.41 -19.21 -10.54 21.11 -16.25 -9.42 20.50 -15.42 -8.89 19.74 -17.75 -9.10 20.39 -18.16 -8.16 21.51 3 0 16.31-999 ?-999 ?-999 ? ZN ZN B 375 mGLU~B 15 -15.92 -10.33 21.42 -16.70 -10.69 21.93 -13.88 -11.58 20.55 -12.67 -11.72 20.56 -14.54 -10.75 21.66 -14.42 -11.44 23.04 2 0 16.18-999 ?-999 ?-999 ? ZN ZN B 375 mSER~B 16 -14.67 -12.09 19.61 -15.64 -11.91 19.74 -13.52 -11.85 17.48 -12.64 -12.20 16.70 -14.13 -12.84 18.48 -15.23 -13.66 17.80 2 0 18.35-999 ?-999 ?-999 ? ZN ZN B 375 mMET~B 17 -14.00 -10.60 17.50 -14.75 -10.48 18.15 -12.40 -8.74 17.37 -11.43 -8.30 16.76 -13.48 -9.52 16.64 -14.61 -8.52 16.30 2 0 15.61-999 ?-999 ?-999 ? ZN ZN B 375 mTYR~B 18 -12.59 -8.52 18.67 -13.44 -8.93 19.03 -11.06 -8.61 20.60 -11.35 -8.35 21.78 -11.64 -7.77 19.47 -12.34 -6.50 20.02 3 0 12.69-999 ?-999 ?-999 ? ZN ZN B 375 mPRO~B 19 -10.23 -9.62 20.27 -10.01 -9.69 19.29 -9.06 -9.80 22.47 -8.34 -8.82 22.26 -9.69 -10.53 21.29 -8.61 -11.30 20.53 3 0 14.88-999 ?-999 ?-999 ? ZN ZN B 375 mLYS~B 20 -9.32 -10.25 23.70 -9.94 -11.03 23.73 -7.19 -9.65 24.94 -6.57 -8.70 25.46 -8.72 -9.62 24.89 -9.32 -10.16 26.19 2 0 14.20-999 ?-999 ?-999 ? ZN ZN B 375 mHIS~B 21 -6.57 -10.70 24.42 -7.17 -11.40 24.04 -4.40 -9.60 23.70 -3.19 -9.37 23.90 -5.10 -10.76 24.42 -4.60 -12.10 23.87 3 0 15.63-999 ?-999 ?-999 ? ZN ZN B 375 mLEU~B 22 -5.17 -8.88 22.87 -6.11 -9.21 22.83 -4.47 -6.47 22.94 -3.75 -5.57 22.52 -4.68 -7.73 22.11 -5.60 -7.41 20.91 3 0 12.63-999 ?-999 ?-999 ? ZN ZN B 375 mALA~B 23 -5.14 -6.38 24.10 -5.75 -7.15 24.28 -3.52 -5.04 25.50 -2.75 -6.02 25.65 -4.97 -5.23 25.00 -5.92 -5.35 26.16 2 0 10.61-999 ?-999 ?-999 ? ZN ZN B 375 mMET.B 24 -3.14 -3.78 25.73 -3.83 -3.09 25.52 -1.70 -4.03 27.67 -2.73 -4.10 28.39 -1.79 -3.46 26.26 -1.51 -1.94 26.41 2 0 11.14-999 ?-999 ?-999 ? ZN ZN B 375 mGLU.B 25 -0.49 -4.41 28.07 0.23 -4.35 27.38 -0.65 -3.69 30.34 -0.33 -2.53 30.05 -0.27 -4.88 29.43 1.19 -5.32 29.64 2 0 14.42-999 ?-999 ?-999 ? ZN ZN B 375 mGLY.B 26 -1.39 -3.98 31.41 -1.62 -4.94 31.51 -3.13 -2.23 31.97 -3.60 -1.40 32.73 -1.82 -2.93 32.32-999.99-999.99-999.99 1 0 14.28-999 ?-999 ?-999 ? ZN ZN B 375 mASP.B 27 -3.73 -2.56 30.83 -3.25 -3.26 30.29 -6.09 -2.55 31.31 -5.91 -3.64 31.86 -4.99 -1.93 30.44 -5.26 -2.13 28.94 2 0 11.07-999 ?-999 ?-999 ? ZN ZN B 375 mLYS.B 28 -7.20 -1.83 31.45 -7.19 -0.96 30.95 -9.49 -2.63 31.33 -10.27 -1.77 30.88 -8.34 -2.26 32.25 -8.76 -1.16 33.24 2 0 12.00-999 ?-999 ?-999 ? C7 EPE B 376 mILE.B 29 -9.63 -3.91 31.02 -8.99 -4.55 31.44 -11.60 -5.36 30.68 -11.26 -5.99 31.67 -10.68 -4.28 30.11 -10.13 -4.74 28.72 3 0 11.97-999 ?-999 ?-999 ? ZN ZN B 375 mGLY^B 30 -12.76 -5.53 30.04 -12.93 -4.90 29.29 -14.88 -5.98 31.17 -15.11 -4.78 31.16 -13.71 -6.55 30.41-999.99-999.99-999.99 1 0 14.63-999 ?-999 ?-999 ? ZN ZN B 375 mLEU^B 31 -15.61 -6.88 31.82 -15.26 -7.81 31.70 -16.34 -5.78 33.83 -15.53 -6.27 34.61 -16.80 -6.57 32.62 -17.47 -7.86 33.12 3 0 16.73-999 ?-999 ?-999 ? C3 EPE B 376 mGLN^B 32 -16.86 -4.58 33.99 -17.53 -4.31 33.30 -17.56 -3.57 36.13 -17.26 -3.31 37.28 -16.48 -3.75 35.09 -16.09 -2.39 34.58 2 0 13.51-999 ?-999 ?-999 ? C3 EPE B 376 mILE^B 33 -18.81 -3.68 35.73 -18.94 -3.87 34.76 -20.98 -4.42 36.19 -21.19 -4.50 34.99 -19.89 -3.52 36.66 -20.39 -2.06 36.64 3 0 14.66-999 ?-999 ?-999 ? C3 EPE B 376 mGLY.B 34 -21.67 -5.07 37.13 -21.32 -4.91 38.05 -22.54 -7.38 36.53 -21.48 -7.91 36.95 -22.85 -5.92 36.81-999.99-999.99-999.99 1 0 18.31-999 ?-999 ?-999 ? C3 EPE B 376 mALA.B 35 -23.48 -8.05 35.86 -24.28 -7.50 35.61 -23.81 -9.58 34.08 -24.51 -8.72 33.58 -23.34 -9.45 35.51 -24.16 -10.31 36.41 2 0 21.57-999 ?-999 ?-999 ? C3 EPE B 376 mLEU.B 36 -23.41 -10.66 33.44 -22.91 -11.31 34.01 -24.53 -12.14 31.84 -24.87 -12.50 30.73 -23.69 -10.89 32.03 -22.36 -11.01 31.26 3 0 23.45-999 ?-999 ?-999 ? C3 EPE B 376 mASN.B 37 -24.87 -12.80 32.94 -24.51 -12.41 33.79 -27.13 -13.60 33.05 -27.78 -13.98 34.03 -25.68 -13.99 32.87 -25.23 -15.05 33.87 2 0 26.92-999 ?-999 ?-999 ? C3 EPE B 376 mLYS.B 38 -27.63 -12.83 32.08 -27.00 -12.64 31.33 -29.41 -12.06 30.68 -28.57 -11.83 29.82 -28.97 -12.32 32.11 -28.98 -11.01 32.92 2 0 27.53-999 ?-999 ?-999 ? C3 EPE B 376 mPRO.B 39 -30.73 -12.10 30.40 -31.31 -12.37 31.17 -30.94 -10.33 28.66 -31.02 -9.42 29.48 -31.25 -11.78 29.06 -32.76 -11.98 29.20 3 0 28.66-999 ?-999 ?-999 ? ZN ZN B 375 mVAL.B 40 -30.56 -10.14 27.40 -30.55 -10.96 26.84 -30.88 -8.53 25.58 -30.60 -9.18 24.58 -30.18 -8.81 26.90 -28.62 -8.67 26.72 3 0 25.73-999 ?-999 ?-999 ? ZN ZN B 375 mARG.B 41 -31.80 -7.57 25.61 -31.91 -7.13 26.50 -31.91 -6.07 23.69 -32.08 -5.98 22.49 -32.56 -7.19 24.44 -33.99 -6.81 24.81 2 0 26.70-999 ?-999 ?-999 ? ZN ZN B 375 mHIS^B 42 -31.21 -5.19 24.40 -31.15 -5.40 25.38 -29.22 -3.83 24.36 -29.06 -4.00 25.57 -30.57 -4.04 23.78 -31.36 -2.77 24.08 3 0 23.58-999 ?-999 ?-999 ? ZN ZN B 375 mVAL^B 43 -28.25 -3.47 23.50 -28.57 -3.41 22.55 -26.55 -1.79 23.41 -26.95 -1.41 22.30 -26.87 -3.18 23.92 -25.88 -4.17 23.27 3 0 19.85-999 ?-999 ?-999 ? ZN ZN B 375 mLEU^B 44 -25.85 -1.00 24.23 -25.63 -1.42 25.11 -23.92 0.43 23.72 -23.20 -0.03 24.59 -25.45 0.35 23.84 -25.93 1.38 24.86 3 0 17.42-999 ?-999 ?-999 ? ZN ZN B 375 mILE^B 45 -23.44 0.99 22.61 -24.17 1.26 21.98 -21.67 2.63 22.65 -22.34 3.57 22.18 -22.00 1.18 22.33 -21.63 0.89 20.85 3 0 13.78-999 ?-999 ?-999 ? ZN ZN B 375 mALA^B 46 -20.65 2.82 23.48 -20.16 1.98 23.73 -18.77 4.31 23.87 -18.03 3.35 23.84 -20.28 4.12 23.98 -20.70 4.20 25.49 2 0 11.55-999 ?-999 ?-999 ? ZN ZN B 374 mLEU.B 47 -18.34 5.56 23.83 -19.07 6.24 23.73 -16.67 6.07 25.42 -15.95 5.29 26.03 -16.93 5.90 23.92 -16.64 7.19 23.14 3 0 7.93-999 ?-999 ?-999 ? ZN ZN B 374 mASP.B 48 -17.30 7.07 26.02 -17.86 7.60 25.39 -18.53 7.09 28.10 -19.57 7.42 27.55 -17.21 7.38 27.44 -17.03 8.88 27.62 2 0 8.81-999 ?-999 ?-999 ? ZN ZN B 374 mVAL.B 49 -18.49 6.52 29.30 -17.57 6.29 29.61 -19.88 7.42 31.05 -19.45 7.37 32.20 -19.66 6.27 30.07 -19.56 4.97 30.89 3 0 10.51-999 ?-999 ?-999 ? C3 EPE B 376 mTHR~B 50 -20.53 8.47 30.57 -20.72 8.41 29.59 -22.34 9.27 31.93 -22.95 8.29 31.52 -20.93 9.59 31.40 -21.08 10.85 30.59 2 0 10.18-999 ?-999 ?-999 ? C2 EPE B 376 mGLU~B 51 -22.87 10.12 32.80 -22.30 10.91 33.01 -25.31 9.94 32.34 -26.29 9.20 32.44 -24.17 9.87 33.37 -24.44 10.79 34.57 2 0 11.99-999 ?-999 ?-999 ? C2 EPE B 376 mGLU~B 52 -25.16 10.77 31.33 -24.32 11.33 31.35 -26.16 9.65 29.37 -27.19 9.29 28.82 -26.17 10.85 30.28 -25.97 12.10 29.51 2 0 15.18-999 ?-999 ?-999 ? C2 EPE B 376 mVAL~B 53 -25.00 9.02 29.23 -24.23 9.46 29.68 -25.69 6.70 29.24 -26.37 5.89 28.64 -24.92 7.78 28.47 -23.45 7.35 28.18 3 0 15.24-999 ?-999 ?-999 ? C2 EPE B 376 mVAL~B 54 -25.59 6.73 30.57 -24.98 7.43 30.93 -27.82 6.11 31.30 -28.61 5.22 31.08 -26.33 5.79 31.41 -25.77 5.76 32.85 3 0 15.27-999 ?-999 ?-999 ? C2 EPE B 376 mASP~B 55 -28.21 7.39 31.38 -27.48 8.03 31.59 -30.10 7.30 29.77 -31.26 6.94 29.62 -29.61 7.76 31.15 -29.80 9.25 31.21 2 0 17.97-999 ?-999 ?-999 ? C2 EPE B 376 mGLU~B 56 -29.23 7.34 28.77 -28.31 7.64 29.03 -29.83 5.47 27.37 -30.77 5.05 26.76 -29.59 6.96 27.42 -28.48 7.36 26.44 2 0 19.74-999 ?-999 ?-999 ? C2 EPE B 376 mALA~B 57 -28.95 4.66 27.97 -28.17 5.11 28.39 -30.50 2.87 28.68 -31.28 2.08 28.18 -29.17 3.22 27.98 -28.03 2.53 28.68 2 0 19.98-999 ?-999 ?-999 ? C2 EPE B 376 mILE~B 58 -30.73 3.49 29.83 -30.00 4.13 30.10 -33.11 3.54 29.77 -34.06 2.76 29.76 -31.90 3.27 30.64 -31.90 4.20 31.89 3 0 21.18-999 ?-999 ?-999 ? C2 EPE B 376 mGLN~B 59 -33.05 4.64 29.01 -32.20 5.15 29.08 -34.39 4.04 27.00 -35.52 3.83 26.56 -34.17 5.02 28.17 -33.96 6.43 27.65 2 0 23.70-999 ?-999 ?-999 ? C2 EPE B 376 mLEU~B 60 -33.31 3.46 26.49 -32.45 3.74 26.91 -33.76 1.13 25.89 -34.18 0.29 25.12 -33.41 2.52 25.38 -32.08 2.39 24.63 3 0 24.77-999 ?-999 ?-999 ? ZN ZN B 374 mGLY~B 61 -33.55 0.89 27.18 -33.22 1.68 27.70 -32.56 -1.29 27.57 -32.63 -2.51 27.55 -33.79 -0.43 27.77-999.99-999.99-999.99 1 0 25.18-999 ?-999 ?-999 ? C2 EPE B 376 mALA.B 62 -31.42 -0.66 27.42 -31.50 0.34 27.46 -29.61 -1.72 28.57 -29.41 -0.83 29.39 -30.17 -1.37 27.22 -29.17 -0.49 26.46 2 0 22.86-999 ?-999 ?-999 ? ZN ZN B 374 mASN.B 63 -29.37 -3.00 28.83 -29.59 -3.63 28.08 -27.37 -3.83 30.03 -26.82 -4.41 30.98 -28.83 -3.41 30.12 -29.72 -4.44 30.85 2 0 21.83-999 ?-999 ?-999 ? C3 EPE B 376 mVAL^B 64 -26.75 -3.57 28.87 -27.36 -3.24 28.15 -24.77 -2.55 27.97 -25.35 -2.15 26.98 -25.30 -3.75 28.70 -24.87 -5.00 27.90 3 0 19.72-999 ?-999 ?-999 ? ZN ZN B 375 mILE^B 65 -23.68 -1.95 28.46 -23.38 -2.28 29.36 -21.60 -1.38 27.43 -20.89 -1.71 28.35 -23.01 -0.89 27.71 -22.91 0.41 28.48 3 0 16.34-999 ?-999 ?-999 ? ZN ZN B 374 mILE^B 66 -21.20 -1.43 26.16 -21.91 -1.21 25.49 -19.16 -0.43 25.53 -19.51 0.28 24.59 -19.84 -1.77 25.79 -19.81 -2.59 24.51 3 0 13.33-999 ?-999 ?-999 ? ZN ZN B 375 mALA^B 67 -18.15 -0.10 26.35 -17.89 -0.80 27.02 -16.06 1.10 25.88 -15.36 0.19 26.33 -17.51 1.20 26.23 -17.65 1.96 27.53 2 0 10.34-999 ?-999 ?-999 ? ZN ZN B 375 mHIS.B 68 -15.58 2.05 25.10 -16.25 2.74 24.82 -13.28 2.50 25.88 -12.22 1.92 26.15 -14.17 2.05 24.72 -13.97 2.94 23.52 3 0 -6.60-999 ?-999 ?-999 ? ZN ZN B 375s mHIS.B 69 -13.70 3.55 26.56 -14.56 3.96 26.25 -13.48 3.44 28.92 -14.66 3.61 29.22 -12.94 4.05 27.67 -13.03 5.54 27.79 3 0 -5.93-999 ?-999 ?-999 ? ZN ZN B 374s mPRO.B 70 -12.59 2.78 29.69 -11.66 2.78 29.33 -13.60 3.07 31.95 -12.99 4.09 32.24 -12.97 2.10 30.96 -11.62 1.64 31.53 3 0 8.96-999 ?-999 ?-999 ? C7 EPE B 376 mLEU.B 71 -14.81 2.76 32.45 -15.22 1.94 32.06 -14.60 3.50 34.76 -14.48 4.49 35.51 -15.46 3.57 33.49 -16.85 3.04 33.82 3 0 7.17-999 ?-999 ?-999 ? C3 EPE B 376 mILE.B 72 -14.02 2.34 35.03 -14.26 1.59 34.41 -11.75 2.06 35.60 -11.45 1.04 35.02 -13.11 2.21 36.15 -13.43 0.94 37.02 3 0 6.82-999 ?-999 ?-999 ? C3 EPE B 376 mPHE.B 73 -10.90 3.08 35.76 -11.29 3.89 36.19 -8.64 2.89 36.58 -7.88 1.94 36.81 -9.52 2.95 35.32 -9.12 4.13 34.42 3 0 6.20-999 ?-999 ?-999 ? C7 EPE B 376 mASN.B 74 -8.73 3.93 37.38 -9.27 4.69 37.02 -9.00 3.07 39.52 -10.19 3.29 39.54 -8.09 3.94 38.68 -8.12 5.35 39.22 2 0 -6.30-999 ?-999 ?-999 ? C7 EPE B 376s mPRO.B 75 -8.45 2.05 40.19 -7.46 1.93 40.08 -10.01 2.03 42.12 -9.45 3.02 42.58 -9.32 1.20 41.02 -8.36 0.14 41.58 3 0 9.19-999 ?-999 ?-999 ? C3 EPE B 376 mLEU.B 76 -11.21 1.64 42.51 -11.50 0.78 42.10 -11.66 2.21 44.90 -11.67 1.07 45.37 -12.02 2.43 43.45 -13.50 2.06 43.26 3 0 8.71-999 ?-999 ?-999 ? N1 EPE B 376 mLYS.B 77 -11.31 3.27 45.62 -11.21 4.12 45.10 -12.45 3.34 47.79 -12.53 3.02 48.97 -11.11 3.17 47.04 -10.16 4.25 47.53 2 0 9.42-999 ?-999 ?-999 ? O2S EPE B 376 mALA.B 78 -13.48 3.83 47.09 -13.30 3.95 46.11 -15.80 4.42 46.63 -15.45 4.58 45.48 -14.76 4.18 47.71 -14.60 5.45 48.54 2 0 8.18-999 ?-999 ?-999 ? O2S EPE B 376 mILE.B 79 -17.08 4.41 46.99 -17.23 4.16 47.95 -18.98 5.81 46.77 -19.81 5.52 47.62 -18.16 4.74 46.06 -19.01 3.53 45.69 3 0 7.63-999 ?-999 ?-999 ? O2S EPE B 376 mHIS.B 80 -18.66 7.06 46.45 -17.94 7.12 45.76 -20.43 8.69 46.21 -20.26 9.43 45.27 -19.27 8.23 47.05 -18.22 9.31 47.23 3 0 6.65-999 ?-999 ?-999 ? O2S EPE B 376 mTHR.B 81 -21.61 8.23 46.57 -21.57 7.67 47.40 -23.26 9.97 45.88 -24.23 10.38 45.26 -22.85 8.49 45.84 -23.94 7.59 46.38 2 0 8.91-999 ?-999 ?-999 ? O2S EPE B 376 mASP.B 82 -22.49 10.78 46.58 -21.73 10.32 47.04 -21.88 12.94 45.64 -22.02 14.15 45.48 -22.74 12.19 46.68 -22.38 12.66 48.09 2 0 8.93-999 ?-999 ?-999 ? O2S EPE B 376 mLYS~B 83 -20.96 12.23 44.97 -20.91 11.27 45.21 -20.58 12.39 42.61 -21.25 11.35 42.52 -20.11 12.86 43.96 -18.64 12.52 44.18 2 0 5.54-999 ?-999 ?-999 ? O3S EPE B 376 mALA~B 84 -20.22 13.12 41.56 -19.60 13.88 41.75 -20.27 11.45 39.71 -21.06 10.73 39.09 -20.72 12.80 40.22 -20.43 13.90 39.21 2 0 5.77-999 ?-999 ?-999 ? O3S EPE B 376 mTYR~B 85 -19.04 11.07 40.02 -18.52 11.73 40.57 -19.22 8.65 40.26 -19.62 7.70 39.59 -18.52 9.80 39.57 -17.00 9.74 39.77 3 0 4.93-999 ?-999 ?-999 ? O3S EPE B 376 mGLY~B 86 -19.40 8.74 41.58 -19.01 9.57 41.97 -21.57 7.66 42.00 -22.20 6.61 42.13 -20.10 7.74 42.37-999.99-999.99-999.99 1 0 6.17-999 ?-999 ?-999 ? O2S EPE B 376 mLYS~B 87 -22.12 8.78 41.53 -21.52 9.58 41.55 -23.65 7.91 39.79 -24.63 7.15 39.64 -23.51 8.76 41.04 -24.02 10.16 40.77 2 0 9.16-999 ?-999 ?-999 ? O2S EPE B 376 mILE~B 88 -22.66 7.97 38.89 -21.93 8.62 39.12 -22.68 5.68 38.12 -23.59 4.91 37.76 -22.67 7.14 37.68 -21.46 7.42 36.75 3 0 9.97-999 ?-999 ?-999 ? C2 EPE B 376 mILE~B 89 -21.70 5.28 38.92 -21.03 5.99 39.14 -22.98 3.48 40.10 -23.53 2.43 39.78 -21.66 3.90 39.43 -20.50 3.71 40.39 3 0 10.34-999 ?-999 ?-999 ? O2S EPE B 376 mGLU~B 90 -23.47 4.29 41.03 -22.87 5.07 41.23 -25.88 3.82 40.66 -26.70 2.90 40.81 -24.77 4.05 41.68 -25.14 5.25 42.55 2 0 12.12-999 ?-999 ?-999 ? O2S EPE B 376 mLYS~B 91 -25.93 4.67 39.65 -25.21 5.37 39.64 -26.91 3.24 37.88 -27.95 2.61 37.64 -26.96 4.56 38.63 -26.93 5.73 37.66 2 0 14.34-999 ?-999 ?-999 ? O2S EPE B 376 mCYH~B 92 -25.70 2.81 37.53 -24.96 3.43 37.77 -26.00 0.39 37.72 -26.73 -0.47 37.26 -25.52 1.51 36.84 -24.04 1.26 36.44 2 0 14.96-999 ?-999 ?-999 ? C2 EPE B 376 mILE~B 93 -25.56 0.39 38.97 -24.96 1.15 39.19 -27.45 -0.71 40.12 -28.02 -1.76 39.98 -25.94 -0.66 39.94 -25.22 -0.49 41.32 3 0 16.26-999 ?-999 ?-999 ? O2S EPE B 376 mLYS~B 94 -28.08 0.42 40.43 -27.48 1.21 40.46 -30.46 0.10 39.56 -31.62 -0.28 39.79 -29.53 0.46 40.71 -29.95 1.83 41.24 2 0 18.16-999 ?-999 ?-999 ? O2S EPE B 376 mASN~B 95 -29.98 0.29 38.33 -29.06 0.66 38.29 -30.30 -1.30 36.45 -30.78 -1.61 35.37 -30.78 -0.03 37.15 -30.82 1.14 36.18 2 0 20.16-999 ?-999 ?-999 ? O2S EPE B 376 mASP.B 96 -29.38 -2.02 37.08 -29.05 -1.61 37.93 -28.30 -3.17 35.19 -28.59 -3.99 34.32 -28.89 -3.29 36.59 -29.98 -4.37 36.65 2 0 20.53-999 ?-999 ?-999 ? C2 EPE B 376 mILE.B 97 -27.49 -2.13 34.98 -27.39 -1.51 35.76 -25.38 -2.47 33.90 -24.66 -2.11 34.85 -26.80 -1.93 33.73 -26.66 -0.42 33.33 3 0 18.48-999 ?-999 ?-999 ? C2 EPE B 376 mALA^B 98 -24.96 -3.33 32.98 -25.61 -3.54 32.26 -22.75 -3.05 32.19 -23.15 -2.65 31.11 -23.64 -3.90 33.07 -23.65 -5.30 32.62 2 0 17.65-999 ?-999 ?-999 ? C3 EPE B 376 mILE^B 99 -21.55 -2.75 32.67 -21.34 -3.14 33.57 -19.48 -2.81 31.56 -18.85 -3.42 32.42 -20.64 -1.93 31.94 -20.12 -0.82 32.82 3 0 14.66-999 ?-999 ?-999 ? C3 EPE B 376 mTYR^B 100 -19.16 -2.87 30.27 -19.72 -2.29 29.68 -17.07 -2.81 29.04 -17.45 -2.01 28.21 -18.07 -3.69 29.78 -18.64 -4.82 28.89 3 0 14.63-999 ?-999 ?-999 ? ZN ZN B 375 mALA^B 101 -15.78 -2.95 29.37 -15.61 -3.63 30.08 -14.03 -2.90 27.62 -13.64 -4.05 27.76 -14.73 -2.17 28.75 -13.66 -1.71 29.80 2 0 11.17-999 ?-999 ?-999 ? ZN ZN B 375 mALA.B 102 -13.81 -2.17 26.54 -14.14 -1.24 26.62 -12.18 -1.52 24.96 -12.50 -0.67 24.13 -13.15 -2.66 25.34 -14.20 -2.84 24.29 2 0 8.96-999 ?-999 ?-999 ? ZN ZN B 375 mHIS~B 103 -10.99 -1.50 25.54 -10.75 -2.30 26.09 -9.10 -0.48 24.25 -9.44 -0.34 23.08 -10.15 -0.33 25.34 -9.64 0.20 26.71 3 0 5.90-999 ?-999 ?-999 ? ZN ZN B 375 mTHR~B 104 -7.85 -0.79 24.61 -7.73 -0.93 25.60 -6.91 -2.07 22.65 -6.24 -2.06 21.60 -6.78 -0.91 23.63 -5.36 -0.90 24.25 2 0 5.73-999 ?-999 ?-999 ? ZN ZN B 375 mASN~B 105 -7.72 -3.07 22.99 -8.10 -3.02 23.91 -8.79 -3.56 20.84 -8.58 -4.00 19.71 -8.01 -4.14 22.02 -8.71 -5.38 22.66 2 0 8.45-999 ?-999 ?-999 ? ZN ZN B 375 mVAL~B 106 -9.68 -2.57 21.10 -9.80 -2.37 22.08 -9.46 -0.93 19.25 -9.68 -0.69 18.06 -10.40 -1.85 20.05 -11.67 -1.10 20.54 3 0 6.70-999 ?-999 ?-999 ? ZN ZN B 375 mASP~B 107 -8.39 -0.43 19.87 -8.34 -0.62 20.85 -6.52 -0.54 18.27 -6.13 -0.13 17.18 -7.40 0.35 19.13 -6.47 1.09 20.08 2 0 -5.03-999 ?-999 ?-999 ? ZN ZN B 375s mVAL~B 108 -6.22 -1.75 18.75 -6.70 -1.99 19.60 -5.81 -3.49 16.93 -5.18 -3.63 15.89 -5.25 -2.64 18.06 -4.43 -3.49 19.08 3 0 8.65-999 ?-999 ?-999 ? ZN ZN B 375 mALA~B 109 -7.03 -3.99 17.11 -7.47 -3.68 17.95 -7.92 -4.37 14.75 -8.15 -3.18 14.59 -7.64 -4.92 16.15 -8.93 -5.45 16.76 2 0 10.96-999 ?-999 ?-999 ? ZN ZN B 375 mLYS.B 110 -7.91 -5.24 13.74 -7.59 -6.16 13.99 -9.84 -4.47 12.46 -10.63 -5.09 13.20 -8.36 -4.86 12.39 -8.16 -5.99 11.37 2 0 13.29-999 ?-999 ?-999 ? ZN ZN B 375 mGLY.B 111 -10.22 -3.42 11.73 -9.49 -3.01 11.19 -11.87 -1.97 12.93 -12.95 -1.38 13.01 -11.60 -2.92 11.75-999.99-999.99-999.99 1 0 12.91-999 ?-999 ?-999 ? ZN ZN B 375 mGLY~B 112 -10.87 -1.78 13.80 -10.03 -2.26 13.54 -10.84 0.51 14.81 -10.91 0.98 13.68 -10.98 -0.97 15.01-999.99-999.99-999.99 1 0 9.09-999 ?-999 ?-999 ? ZN ZN B 375 mVAL~B 113 -10.61 1.24 15.91 -10.49 0.68 16.73 -9.65 3.29 14.88 -10.03 4.22 14.17 -10.54 2.71 15.93 -10.02 3.26 17.28 3 0 6.59-999 ?-999 ?-999 ? ZN ZN B 375 mASN~B 114 -8.45 2.76 14.77 -8.24 1.98 15.37 -7.85 3.02 12.37 -7.63 3.86 11.55 -7.53 3.33 13.83 -6.09 3.05 14.26 2 0 8.32-999 ?-999 ?-999 ? ZN ZN B 375 mASP~B 115 -8.39 1.83 12.07 -8.47 1.20 12.85 -9.95 2.45 10.33 -9.95 3.08 9.27 -8.80 1.50 10.70 -9.21 0.02 10.54 2 0 11.67-999 ?-999 ?-999 ? ZN ZN B 375 mLEU~B 116 -10.89 2.60 11.25 -10.75 2.04 12.07 -11.55 4.97 10.83 -12.02 5.61 9.92 -12.01 3.52 11.07 -12.97 3.46 12.27 3 0 11.50-999 ?-999 ?-999 ? ZN ZN B 375 mLEU~B 117 -10.65 5.49 11.65 -10.36 4.88 12.39 -9.42 6.98 10.10 -9.56 7.99 9.41 -10.15 6.86 11.42 -9.22 7.32 12.53 3 0 11.02-999 ?-999 ?-999 ? ZN ZN B 375 mALA~B 118 -8.64 5.96 9.74 -8.61 5.20 10.39 -8.90 5.99 7.28 -8.72 6.76 6.32 -7.92 6.00 8.46 -6.87 4.90 8.37 2 0 13.68-999 ?-999 ?-999 ? ZN ZN B 375 mGLU~B 119 -9.94 5.14 7.35 -9.96 4.56 8.16 -11.67 6.45 6.18 -11.96 6.90 5.07 -10.95 5.12 6.29 -12.02 4.00 6.43 2 0 15.93-999 ?-999 ?-999 ? ZN ZN B 375 mALA~B 120 -11.95 7.09 7.31 -11.65 6.59 8.13 -11.79 9.50 6.71 -12.33 10.39 6.07 -12.64 8.39 7.33 -13.08 8.77 8.73 2 0 15.79-999 ?-999 ?-999 ? ZN ZN B 375 mLEU~B 121 -10.46 9.43 6.89 -10.17 8.66 7.47 -9.21 10.15 4.80 -8.64 11.03 4.17 -9.51 10.39 6.28 -8.19 10.48 7.06 3 0 16.91-999 ?-999 ?-999 ? ZN ZN B 375 mGLY~B 122 -9.58 8.97 4.29 -10.04 8.38 4.96 -7.96 8.01 2.63 -7.49 8.03 1.49 -9.36 8.56 2.89-999.99-999.99-999.99 1 0 19.62-999 ?-999 ?-999 ? ZN ZN B 375 mLEU.B 123 -7.30 7.50 3.67 -7.80 7.51 4.54 -5.82 5.68 2.71 -6.60 4.74 2.92 -5.94 7.00 3.51 -5.20 6.91 4.85 3 0 18.90-999 ?-999 ?-999 ? ZN ZN B 375 mGLN^B 124 -4.83 5.64 1.81 -4.31 6.49 1.77 -3.32 3.79 1.48 -2.48 4.42 2.12 -4.54 4.50 0.95 -4.11 4.97 -0.44 2 0 21.45-999 ?-999 ?-999 ? ZN ZN B 375 mASN^B 125 -3.23 2.50 1.15 -4.03 2.15 0.67 -1.56 1.87 2.89 -0.40 2.25 3.12 -2.05 1.69 1.47 -0.95 2.05 0.48 2 0 21.72-999 ?-999 ?-999 ? ZN ZN B 375 mTHR^B 126 -2.46 1.64 3.85 -3.35 1.32 3.53 -1.36 0.71 5.80 -1.51 -0.42 5.33 -2.13 1.87 5.25 -3.36 2.06 6.12 2 0 18.13-999 ?-999 ?-999 ? ZN ZN B 375 mGLU^B 127 -0.49 1.02 6.76 -0.40 1.99 6.95 0.13 0.34 8.95 -0.17 1.49 9.28 0.25 -0.01 7.46 1.74 -0.01 7.08 2 0 17.57-999 ?-999 ?-999 ? ZN ZN B 375 mVAL^B 128 0.37 -0.64 9.81 0.55 -1.52 9.37 1.48 0.57 11.59 2.59 0.49 11.08 0.39 -0.46 11.26 0.66 -1.82 11.99 3 0 14.79-999 ?-999 ?-999 ? ZN ZN B 375 mLEU^B 129 1.15 1.57 12.39 0.19 1.58 12.67 3.03 2.01 13.93 4.26 2.05 13.82 2.13 2.57 12.80 1.43 3.82 13.29 3 0 14.24-999 ?-999 ?-999 ? ZN ZN B 375 mALA^B 130 2.45 1.46 15.00 1.45 1.43 14.96 3.00 -0.49 16.43 2.11 -0.79 17.21 3.26 0.96 16.13 3.04 1.82 17.39 2 0 13.64-999 ?-999 ?-999 ? ZN ZN B 375 mPRO^B 131 3.73 -1.40 15.78 4.39 -0.99 15.15 3.48 -3.26 17.47 4.25 -2.76 18.30 3.59 -2.85 15.99 4.86 -3.40 15.37 3 0 15.34-999 ?-999 ?-999 ? ZN ZN B 375 mTHR^B 132 2.48 -4.07 17.82 1.87 -4.33 17.07 2.07 -6.04 19.27 2.17 -6.65 20.34 2.33 -4.54 19.20 1.18 -3.84 19.99 2 0 14.31-999 ?-999 ?-999 ? ZN ZN B 375 mTYR^B 133 1.74 -6.63 18.12 1.76 -6.04 17.32 1.57 -8.68 16.72 1.09 -8.18 15.71 1.38 -8.03 18.08 -0.09 -8.19 18.54 3 0 16.32-999 ?-999 ?-999 ? ZN ZN B 375 mALA^B 134 2.29 -9.78 16.70 2.71 -10.01 17.58 1.91 -11.96 15.80 2.25 -12.48 16.85 2.44 -10.57 15.47 3.90 -10.65 15.03 2 0 19.51-999 ?-999 ?-999 ? O1S EPE A 377 mGLU^B 135 1.05 -12.52 14.97 0.78 -11.98 14.17 1.69 -14.82 14.95 2.39 -14.68 13.94 0.56 -13.85 15.26 -0.67 -14.24 14.43 2 0 17.07-999 ?-999 ?-999 ? O1S EPE A 377 mGLU^B 136 1.87 -15.80 15.82 1.26 -15.83 16.61 2.47 -18.02 14.87 1.36 -18.52 15.08 2.92 -16.75 15.59 3.77 -16.97 16.84 2 0 14.89-999 ?-999 ?-999 ? O1S EPE A 377 mMET^B 137 3.34 -18.51 13.98 4.20 -18.01 13.92 3.65 -20.85 13.85 4.67 -20.72 14.53 3.03 -19.66 13.17 3.62 -19.51 11.78 2 0 11.17-999 ?-999 ?-999 ? O1S EPE A 377 mLYS^B 138 3.02 -22.01 13.66 2.18 -21.94 13.14 3.50 -24.33 13.11 2.64 -24.32 12.24 3.52 -23.27 14.19 2.66 -23.78 15.34 2 0 10.26-999 ?-999 ?-999 ? O1S EPE A 377 mLYS^B 139 4.47 -25.24 13.19 5.17 -25.05 13.86 3.95 -27.52 13.26 4.46 -27.73 14.36 4.48 -26.42 12.36 5.89 -26.81 12.00 2 0 -7.72-999 ?-999 ?-999 ? O2S EPE A 377s mVAL^B 140 2.94 -28.24 12.80 2.60 -27.96 11.90 2.86 -30.62 12.90 2.75 -30.73 11.69 2.40 -29.34 13.57 0.85 -29.28 13.61 3 0 8.89-999 ?-999 ?-999 ? O2S EPE A 377 mVAL^B 141 3.38 -31.56 13.69 3.40 -31.30 14.65 3.17 -34.00 13.89 3.31 -34.15 15.11 3.87 -32.83 13.18 5.38 -32.94 13.37 3 0 9.11-999 ?-999 ?-999 ? O2S EPE A 377 mVAL^B 142 2.42 -34.81 13.15 2.41 -34.58 12.17 2.10 -37.30 13.19 2.45 -37.42 12.02 1.69 -35.93 13.75 0.14 -35.72 13.67 3 0 11.66-999 ?-999 ?-999 ? O2S EPE A 377 mPHE^B 143 2.07 -38.33 14.04 1.79 -38.10 14.97 1.19 -40.53 13.56 0.52 -40.75 14.56 2.44 -39.67 13.62 3.51 -40.25 14.54 3 0 14.01-999 ?-999 ?-999 ? O2S EPE A 377 mVAL^B 144 0.88 -40.97 12.34 1.54 -40.71 11.64 0.10 -43.03 11.36 0.97 -43.00 10.49 -0.31 -41.74 12.04 -1.21 -40.99 11.04 3 0 15.54-999 ?-999 ?-999 ? O2S EPE A 377 mPRO^B 145 -0.50 -44.18 11.77 -1.11 -44.11 12.57 -0.58 -45.23 9.58 -1.43 -44.40 9.24 -0.24 -45.42 11.05 -1.23 -46.41 11.69 3 0 18.34-999 ?-999 ?-999 ? O2S EPE A 377 mVAL.B 146 0.09 -45.98 8.72 0.75 -46.60 9.15 -1.61 -45.97 6.87 -2.06 -45.20 6.02 -0.12 -45.90 7.27 0.71 -47.00 6.56 3 0 17.89-999 ?-999 ?-999 ? O2S EPE A 377 mTHR.B 147 -2.37 -46.84 7.55 -1.86 -47.32 8.25 -4.76 -45.85 7.34 -5.82 -45.86 6.70 -3.81 -47.06 7.27 -4.40 -48.18 8.16 2 0 20.01-999 ?-999 ?-999 ? O3S EPE A 377 mHIS~B 148 -4.41 -44.82 8.11 -3.52 -44.92 8.55 -4.61 -42.34 7.92 -5.19 -41.26 8.12 -5.29 -43.66 8.26 -5.83 -43.57 9.69 3 0 17.72-999 ?-999 ?-999 ? O3S EPE A 377 mALA~B 149 -3.38 -42.42 7.42 -3.06 -43.36 7.28 -3.34 -40.29 6.18 -3.38 -39.08 6.43 -2.60 -41.23 7.10 -1.27 -41.62 6.49 2 0 14.21-999 ?-999 ?-999 ? O3S EPE A 377 mGLU~B 150 -3.95 -40.86 5.14 -3.84 -41.85 5.11 -5.89 -39.35 4.75 -6.16 -38.20 4.39 -4.70 -40.10 4.15 -5.13 -41.03 2.99 2 0 13.84-999 ?-999 ?-999 ? O3S EPE A 377 mGLU~B 151 -6.58 -40.01 5.68 -6.26 -40.94 5.86 -7.26 -38.24 7.23 -7.82 -37.14 7.14 -7.72 -39.40 6.35 -8.49 -40.42 7.18 2 0 15.32-999 ?-999 ?-999 ? O3S EPE A 377 mVAL~B 152 -6.24 -38.48 8.05 -5.88 -39.41 7.99 -5.34 -36.18 8.21 -5.65 -35.09 8.67 -5.73 -37.45 8.95 -4.61 -37.98 9.88 3 0 13.29-999 ?-999 ?-999 ? O3S EPE A 377 mARG~B 153 -4.69 -36.32 7.05 -4.45 -37.26 6.82 -5.61 -34.41 5.73 -5.63 -33.17 5.73 -4.36 -35.16 6.20 -3.56 -35.59 4.99 2 0 10.01-999 ?-999 ?-999 ? O3S EPE A 377 mLYS~B 154 -6.65 -35.14 5.31 -6.51 -36.13 5.29 -8.39 -33.75 6.14 -8.71 -32.56 6.08 -7.89 -34.48 4.91 -8.96 -35.46 4.39 2 0 12.24-999 ?-999 ?-999 ? O3S EPE A 377 mALA~B 155 -8.41 -34.46 7.27 -8.07 -35.39 7.17 -8.24 -32.57 8.89 -8.95 -31.60 9.16 -8.89 -33.90 8.54 -8.69 -34.90 9.66 2 0 13.59-999 ?-999 ?-999 ? O3S EPE A 377 mLEU~B 156 -6.91 -32.55 8.87 -6.51 -33.43 8.62 -6.37 -30.23 8.17 -6.58 -29.09 8.57 -6.10 -31.36 9.16 -4.58 -31.69 9.17 3 0 10.59-999 ?-999 ?-999 ? O3S EPE A 377 mGLY~B 157 -6.37 -30.56 6.88 -6.20 -31.53 6.71 -8.01 -29.03 5.80 -8.22 -27.90 5.33 -6.61 -29.59 5.82-999.99-999.99-999.99 1 0 9.55-999 ?-999 ?-999 ? O3S EPE A 377 mASP~B 158 -8.98 -29.82 6.28 -8.64 -30.72 6.57 -10.62 -28.31 7.39 -11.60 -27.56 7.30 -10.39 -29.41 6.35 -11.33 -30.60 6.63 2 0 13.34-999 ?-999 ?-999 ? O3S EPE A 377 mALA~B 159 -9.73 -28.24 8.37 -9.01 -28.93 8.33 -8.88 -26.03 9.07 -8.55 -25.20 9.93 -9.80 -27.22 9.41 -9.47 -27.83 10.78 2 0 13.65-999 ?-999 ?-999 ? O3S EPE A 377 mGLY.B 160 -8.46 -25.97 7.80 -8.73 -26.75 7.25 -6.16 -24.81 7.41 -5.54 -23.80 7.03 -7.67 -24.84 7.30-999.99-999.99-999.99 1 0 11.45-999 ?-999 ?-999 ? O3S EPE A 377 mALA.B 161 -5.56 -25.89 7.93 -6.19 -26.61 8.20 -3.50 -26.18 6.70 -4.04 -26.92 5.87 -4.10 -26.00 8.07 -3.75 -27.17 8.94 2 0 8.26-999 ?-999 ?-999 ? O3S EPE A 377 mGLY.B 162 -2.38 -25.52 6.43 -2.06 -24.93 7.18 -2.22 -24.78 4.04 -2.30 -25.20 2.88 -1.71 -25.67 5.15-999.99-999.99-999.99 1 0 5.31-999 ?-999 ?-999 ? O3S EPE A 377 mHIS.B 163 -2.56 -23.54 4.38 -2.47 -23.35 5.36 -1.88 -21.58 3.10 -1.70 -20.57 3.78 -3.02 -22.56 3.39 -4.27 -21.83 3.86 3 0 8.22-999 ?-999 ?-999 ? O3S EPE A 377 mILE.B 164 -1.10 -21.92 2.07 -1.42 -22.75 1.60 -0.15 -20.51 0.28 -0.15 -21.20 -0.76 0.08 -21.17 1.64 1.33 -22.12 1.59 3 0 -7.39-999 ?-999 ?-999 ? O1S EPE A 377s mGLY.B 165 -0.37 -19.19 0.28 -0.33 -18.77 1.19 -1.84 -19.02 -1.67 -2.87 -19.27 -1.04 -0.63 -18.46 -0.95-999.99-999.99-999.99 1 0 10.94-999 ?-999 ?-999 ? O1S EPE A 377 mASN.B 166 -1.71 -19.28 -2.97 -0.80 -19.06 -3.33 -2.98 -21.34 -3.73 -3.47 -21.96 -4.69 -2.81 -19.81 -3.80 -2.65 -19.38 -5.26 2 0 10.62-999 ?-999 ?-999 ? O8 EPE A 377 mTYR^B 167 -2.59 -21.94 -2.61 -2.19 -21.32 -1.94 -3.33 -23.61 -1.03 -3.13 -22.82 -0.10 -2.73 -23.37 -2.41 -1.38 -24.06 -2.54 3 0 8.36-999 ?-999 ?-999 ? C5 EPE A 377 mSER^B 168 -4.05 -24.72 -0.90 -4.09 -25.28 -1.72 -4.45 -26.54 0.67 -4.00 -27.27 -0.22 -4.73 -25.07 0.35 -6.24 -24.84 0.17 2 0 8.96-999 ?-999 ?-999 ? O3S EPE A 377 mHIS^B 169 -4.70 -26.96 1.90 -5.04 -26.24 2.51 -3.07 -28.86 2.13 -2.87 -30.02 1.75 -4.51 -28.36 2.32 -5.45 -29.30 1.55 3 0 7.43-999 ?-999 ?-999 ? O3S EPE A 377 mCYH^B 170 -2.09 -28.00 2.39 -2.40 -27.10 2.70 -0.22 -29.12 3.46 -0.38 -28.64 4.58 -0.70 -28.36 2.22 0.18 -27.12 1.98 2 0 -3.88-999 ?-999 ?-999 ? O3S EPE A 377s mTHR^B 171 0.33 -30.32 3.23 0.31 -30.57 2.26 2.05 -31.89 3.58 2.07 -32.01 2.35 0.89 -31.19 4.26 -0.05 -32.34 4.73 2 0 -3.33-999 ?-999 ?-999 ? O3S EPE A 377s mPHE^B 172 3.02 -32.32 4.38 2.95 -32.04 5.34 4.20 -34.37 4.68 4.16 -34.30 5.90 4.10 -33.12 3.84 5.41 -32.39 3.78 3 0 4.49-999 ?-999 ?-999 ? O2S EPE A 377 mSER^B 173 4.32 -35.51 4.00 4.40 -35.38 3.01 5.59 -37.65 4.30 5.92 -37.83 3.13 4.35 -36.83 4.64 3.12 -37.63 4.21 2 0 7.99-999 ?-999 ?-999 ? O2S EPE A 377 mSER^B 174 6.24 -38.19 5.33 5.84 -37.96 6.22 7.17 -40.40 5.75 6.60 -40.54 6.83 7.43 -39.02 5.18 8.62 -38.46 5.95 2 0 10.49-999 ?-999 ?-999 ? O2S EPE A 377 mGLU^B 175 7.58 -41.43 5.02 7.96 -41.20 4.13 8.65 -43.07 6.41 9.81 -42.74 6.07 7.45 -42.78 5.53 7.35 -43.79 4.40 2 0 14.17-999 ?-999 ?-999 ? O2S EPE A 377 mGLY^B 176 8.36 -43.64 7.58 7.39 -43.80 7.73 8.94 -45.09 9.46 7.86 -45.65 9.29 9.40 -43.99 8.52-999.99-999.99-999.99 1 0 16.19-999 ?-999 ?-999 ? O2S EPE A 377 mTHR^B 177 9.77 -45.40 10.44 10.62 -44.88 10.44 9.50 -45.88 12.86 10.46 -45.20 13.26 9.43 -46.41 11.44 10.25 -47.72 11.26 2 0 19.20-999 ?-999 ?-999 ? C2 EPE C 377 mGLY^B 178 8.46 -46.15 13.64 7.74 -46.68 13.20 8.71 -46.82 15.95 8.55 -47.98 15.59 8.41 -45.68 15.01-999.99-999.99-999.99 1 0 19.88-999 ?-999 ?-999 ? O2S EPE A 377 mTHR^B 179 9.18 -46.49 17.14 9.33 -45.51 17.28 8.87 -47.01 19.48 8.75 -45.81 19.71 9.45 -47.49 18.16 10.95 -47.78 18.36 2 0 21.67-999 ?-999 ?-999 ? C2 EPE C 377 mPHE^B 180 8.51 -47.96 20.33 8.63 -48.88 19.97 7.95 -48.95 22.53 8.01 -50.07 22.02 7.98 -47.67 21.67 6.60 -46.99 21.60 3 0 24.41-999 ?-999 ?-999 ? C2 EPE C 377 mVAL^B 181 7.91 -48.77 23.85 7.97 -47.81 24.14 6.70 -49.52 25.78 6.80 -48.49 26.44 7.78 -49.90 24.77 9.10 -50.25 25.51 3 0 27.13-999 ?-999 ?-999 ? N TRS A 378 mPRO^B 182 5.63 -50.35 25.88 5.65 -51.11 25.23 4.87 -50.71 28.22 5.27 -51.88 28.32 4.53 -50.15 26.84 3.36 -50.94 26.21 3 0 29.54-999 ?-999 ?-999 ? N TRS A 378 mGLN.B 183 4.70 -49.89 29.26 4.34 -48.99 29.01 3.80 -50.38 31.54 3.10 -51.76 31.42 5.03 -50.31 30.64 6.08 -49.37 31.24 2 0 30.05-999 ?-999 ?-999 ? O1 TRS A 378 mGLN.B 195 10.14 -54.87 26.13 10.20 -54.40 27.02 10.17 -54.61 23.61 9.62 -53.50 23.59 10.04 -55.54 24.84 8.76 -56.38 24.77 2 0 29.74-999 ?-999 ?-999 ? C2 EPE C 377 mLEU.B 196 10.90 -55.09 22.61 11.22 -56.01 22.80 10.04 -54.14 20.34 9.65 -55.07 19.63 11.20 -54.37 21.34 12.41 -55.05 20.65 3 0 26.60-999 ?-999 ?-999 ? C2 EPE C 377 mGLU^B 197 9.51 -52.92 20.24 9.92 -52.22 20.82 8.56 -51.73 18.14 9.01 -50.61 18.34 8.38 -52.71 19.31 7.09 -52.40 20.06 2 0 26.15-999 ?-999 ?-999 ? C2 EPE C 377 mARG^B 198 8.17 -52.15 16.93 7.81 -53.09 16.94 6.94 -51.21 14.96 6.20 -52.19 14.83 8.27 -51.33 15.72 9.35 -51.88 14.77 2 0 24.08-999 ?-999 ?-999 ? C2 EPE C 377 mVAL^B 199 6.66 -50.01 14.47 7.35 -49.32 14.70 5.95 -48.98 12.45 6.93 -48.26 12.53 5.46 -49.70 13.69 4.57 -48.61 14.38 3 0 22.57-999 ?-999 ?-999 ? O2S EPE A 377 mGLU^B 200 5.31 -49.20 11.31 4.65 -49.96 11.33 4.57 -47.24 10.26 3.35 -47.48 10.31 5.57 -48.38 10.14 5.38 -49.12 8.82 2 0 20.19-999 ?-999 ?-999 ? O2S EPE A 377 mGLU^B 201 5.07 -46.02 10.32 6.07 -45.98 10.25 4.51 -43.80 9.45 5.45 -43.90 8.66 4.24 -44.84 10.48 4.51 -44.18 11.82 2 0 16.89-999 ?-999 ?-999 ? O2S EPE A 377 mVAL^B 202 3.67 -42.78 9.47 2.92 -42.86 10.13 3.93 -40.44 9.50 3.14 -40.31 10.44 3.82 -41.64 8.59 2.60 -41.44 7.67 3 0 13.31-999 ?-999 ?-999 ? O2S EPE A 377 mARG^B 203 4.92 -39.60 9.23 5.51 -39.92 8.49 4.56 -37.27 9.03 5.13 -36.96 7.99 5.16 -38.35 9.91 6.65 -38.10 10.00 2 0 10.67-999 ?-999 ?-999 ? O2S EPE A 377 mILE^B 204 3.41 -36.73 9.42 3.05 -37.09 10.28 2.97 -34.28 9.23 2.76 -34.07 10.42 2.74 -35.68 8.64 1.22 -35.92 8.55 3 0 7.99-999 ?-999 ?-999 ? O2S EPE A 377 mGLU^B 205 3.38 -33.33 8.40 3.50 -33.61 7.45 2.78 -30.95 8.18 2.56 -31.08 6.97 3.61 -31.97 8.90 5.10 -31.60 8.84 2 0 5.11-999 ?-999 ?-999 ? O2S EPE A 377 mTHR^B 206 2.31 -29.95 8.91 2.56 -30.01 9.88 1.68 -27.55 9.10 1.94 -27.53 10.31 1.50 -28.89 8.33 0.00 -29.29 8.29 2 0 4.45-999 ?-999 ?-999 ? O3S EPE A 377 mILE^B 207 1.54 -26.43 8.39 1.34 -26.57 7.42 0.36 -24.50 9.40 -0.55 -24.38 8.56 1.69 -25.13 9.03 2.53 -24.15 8.19 3 0 5.36-999 ?-999 ?-999 ? O1S EPE A 377 mILE^B 208 0.25 -24.11 10.66 1.05 -24.33 11.22 -0.63 -22.11 11.90 0.41 -22.00 12.56 -0.94 -23.42 11.17 -1.70 -24.29 12.20 3 0 8.98-999 ?-999 ?-999 ? O1S EPE A 377 mPRO^B 209 -1.50 -21.10 11.74 -2.20 -21.22 11.04 -1.74 -20.39 13.98 -2.48 -21.37 14.10 -1.38 -19.90 12.57 -2.48 -18.98 12.02 3 0 11.87-999 ?-999 ?-999 ? O1S EPE A 377 mALA.B 210 -1.26 -19.75 15.04 -0.72 -18.93 14.83 -2.99 -20.20 16.80 -3.40 -20.97 17.67 -1.53 -20.24 16.39 -0.69 -19.53 17.41 2 0 14.63-999 ?-999 ?-999 ? O1S EPE A 377 mSER.B 211 -3.79 -19.32 16.19 -3.33 -18.74 15.52 -5.94 -20.53 16.15 -6.85 -20.95 16.86 -5.21 -19.23 16.51 -5.88 -18.03 15.82 2 0 16.92-999 ?-999 ?-999 ? O1S EPE A 377 mLEU~B 212 -5.52 -21.16 15.05 -4.75 -20.72 14.59 -5.63 -23.65 15.32 -6.11 -24.75 15.05 -6.14 -22.41 14.60 -5.99 -22.60 13.08 3 0 15.00-999 ?-999 ?-999 ? O3S EPE A 377 mGLN~B 213 -4.70 -23.48 16.26 -4.45 -22.52 16.42 -5.14 -25.51 17.67 -5.19 -26.68 17.35 -4.12 -24.61 16.99 -3.04 -24.16 17.97 2 0 15.10-999 ?-999 ?-999 ? O3S EPE A 377 mARG~B 214 -5.94 -24.96 18.58 -5.77 -23.99 18.75 -7.95 -26.46 18.33 -8.27 -27.63 18.53 -6.98 -25.75 19.28 -7.74 -24.90 20.29 2 0 18.23-999 ?-999 ?-999 ? O3S EPE A 377 mLYS~B 215 -8.39 -25.76 17.29 -8.03 -24.82 17.26 -8.70 -27.49 15.52 -9.24 -28.59 15.54 -9.31 -26.31 16.29 -9.76 -25.20 15.33 2 0 17.27-999 ?-999 ?-999 ? O3S EPE A 377 mVAL~B 216 -7.56 -27.23 14.86 -7.26 -26.29 14.98 -6.42 -29.47 14.83 -6.45 -30.59 14.31 -6.83 -28.22 14.05 -5.56 -27.58 13.40 3 0 13.80-999 ?-999 ?-999 ? O3S EPE A 377 mILE~B 217 -6.05 -29.27 16.08 -6.11 -28.31 16.37 -6.79 -31.19 17.43 -6.60 -32.34 17.79 -5.60 -30.34 16.95 -4.71 -29.77 18.11 3 0 15.45-999 ?-999 ?-999 ? O3S EPE A 377 mLYS~B 218 -8.00 -30.61 17.45 -8.00 -29.64 17.22 -9.49 -32.31 16.61 -9.59 -33.52 16.79 -9.21 -31.38 17.78 -10.45 -30.49 17.98 2 0 18.41-999 ?-999 ?-999 ? O3S EPE A 377 mALA~B 219 -9.58 -31.72 15.43 -9.44 -30.73 15.48 -8.79 -33.46 13.78 -9.04 -34.30 12.92 -9.85 -32.42 14.17 -10.02 -31.40 13.03 2 0 16.60-999 ?-999 ?-999 ? O3S EPE A 377 mMET~B 220 -7.63 -33.40 14.42 -7.57 -32.66 15.08 -6.71 -35.53 15.08 -6.78 -36.67 14.62 -6.53 -34.33 14.17 -5.22 -33.67 14.56 2 0 14.92-999 ?-999 ?-999 ? O3S EPE A 377 mVAL~B 221 -6.76 -35.22 16.37 -6.69 -34.24 16.53 -8.18 -37.01 17.40 -8.15 -38.23 17.62 -6.89 -36.18 17.46 -6.74 -35.46 18.84 3 0 18.22-999 ?-999 ?-999 ? O3S EPE A 377 mTHR~B 222 -9.31 -36.37 17.11 -9.20 -35.38 16.97 -10.52 -38.01 15.78 -10.97 -39.15 15.85 -10.58 -37.08 17.00 -11.80 -36.11 16.94 2 0 20.47-999 ?-999 ?-999 ? O3S EPE A 377 mALA.B 223 -9.89 -37.55 14.70 -9.53 -36.62 14.80 -8.60 -39.35 13.53 -8.30 -40.00 12.52 -9.77 -38.36 13.49 -9.66 -37.46 12.27 2 0 18.53-999 ?-999 ?-999 ? O3S EPE A 377 mHIS.B 224 -7.94 -39.50 14.68 -8.31 -38.96 15.44 -7.08 -41.66 15.57 -7.74 -41.61 16.62 -6.77 -40.38 14.80 -5.63 -39.63 15.50 3 0 18.66-999 ?-999 ?-999 ? O3S EPE A 377 mPRO.B 225 -6.61 -42.81 15.05 -6.16 -42.64 14.18 -6.38 -44.36 17.08 -7.26 -44.78 17.83 -6.71 -44.17 15.60 -5.72 -44.96 14.74 3 0 21.68-999 ?-999 ?-999 ? O3S EPE A 377 mTYR.B 226 -5.15 -44.08 17.52 -4.52 -43.73 16.82 -5.56 -43.42 19.96 -5.72 -43.83 21.12 -4.79 -44.30 18.94 -3.29 -44.07 19.25 3 0 22.90-999 ?-999 ?-999 ? O2S EPE A 377 mGLU.B 227 -6.02 -42.24 19.53 -5.92 -42.14 18.54 -5.64 -40.71 21.53 -5.89 -39.69 22.18 -6.60 -41.19 20.42 -8.00 -41.47 20.99 2 0 22.75-999 ?-999 ?-999 ? O3S EPE A 377 mGLU.B 228 -4.56 -41.46 21.72 -4.56 -42.29 21.16 -2.35 -40.75 21.68 -1.27 -41.36 21.65 -3.48 -41.14 22.64 -3.13 -42.39 23.46 2 0 23.02-999 ?-999 ?-999 ? O2S EPE A 377 mVAL.B 229 -2.65 -39.72 20.89 -3.52 -39.29 21.13 -0.41 -38.72 20.09 -0.20 -38.00 21.07 -1.81 -39.25 19.78 -2.57 -38.16 18.98 3 0 19.22-999 ?-999 ?-999 ? O2S EPE A 377 mALA.B 230 0.54 -39.10 19.23 0.21 -39.73 18.53 2.07 -37.48 18.32 2.09 -37.69 17.10 1.92 -38.64 19.31 2.89 -39.78 18.96 2 0 17.54-999 ?-999 ?-999 ? O2S EPE A 377 mTYR^B 231 2.14 -36.26 18.84 2.10 -36.23 19.84 3.15 -34.02 18.64 3.19 -33.90 19.87 2.27 -35.09 17.99 0.89 -34.51 17.66 3 0 14.60-999 ?-999 ?-999 ? O2S EPE A 377 mASP^B 232 3.83 -33.24 17.81 3.69 -33.45 16.84 4.26 -30.86 17.72 3.74 -30.79 16.61 4.71 -32.18 18.29 6.16 -32.41 17.86 2 0 13.67-999 ?-999 ?-999 ? O2S EPE A 377 mVAL^B 233 4.51 -29.80 18.47 4.92 -30.01 19.36 5.44 -27.58 18.05 5.93 -27.23 19.13 4.19 -28.47 18.01 3.08 -27.84 18.83 3 0 12.99-999 ?-999 ?-999 ? O2S EPE A 377 mTYR^B 234 5.92 -27.22 16.86 5.38 -27.55 16.08 6.81 -24.98 16.49 5.98 -24.67 15.64 7.12 -26.43 16.72 7.89 -26.88 15.48 3 0 12.15-999 ?-999 ?-999 ? O2S EPE A 377 mPRO^B 235 7.48 -24.08 17.22 8.04 -24.46 17.96 8.24 -22.35 15.72 9.34 -22.89 15.56 7.37 -22.67 16.94 7.94 -22.02 18.20 3 0 13.43-999 ?-999 ?-999 ? O1S EPE A 377 mLEU^B 236 7.72 -21.55 14.81 6.80 -21.21 15.01 8.90 -19.73 13.68 8.26 -18.95 14.35 8.49 -21.20 13.63 7.64 -21.45 12.38 3 0 11.45-999 ?-999 ?-999 ? O1S EPE A 377 mASP^B 237 9.99 -19.37 12.99 10.49 -20.13 12.58 9.40 -17.20 11.93 9.24 -15.98 12.02 10.38 -17.95 12.87 11.84 -17.75 12.41 2 0 13.55-999 ?-999 ?-999 ? O1S EPE A 377 mASN^B 238 8.75 -17.93 11.05 9.01 -18.90 11.07 6.65 -16.64 10.94 6.10 -17.18 11.88 7.76 -17.38 10.13 7.11 -18.54 9.31 2 0 11.39-999 ?-999 ?-999 ? O1S EPE A 377 mLYS^B 239 6.35 -15.38 10.63 6.91 -14.97 9.91 4.01 -14.53 10.47 4.09 -14.69 9.24 5.23 -14.71 11.35 5.61 -13.34 11.96 2 0 13.78-999 ?-999 ?-999 ? O1S EPE A 377 mGLY^B 240 2.87 -14.22 11.11 2.98 -14.19 12.11 1.42 -12.44 10.42 2.36 -11.72 10.74 1.60 -13.95 10.45-999.99-999.99-999.99 1 0 14.23-999 ?-999 ?-999 ? O1S EPE A 377 mGLU^B 241 0.23 -11.96 10.02 -0.44 -12.67 9.80 0.33 -9.77 11.22 0.24 -10.35 12.30 -0.02 -10.50 9.94 -1.47 -10.15 9.53 2 0 17.51-999 ?-999 ?-999 ? O1S EPE A 377 mTHR^B 242 0.71 -8.50 11.09 0.73 -8.18 10.15 -0.06 -6.75 12.63 -0.75 -6.17 11.78 1.06 -7.67 12.24 2.31 -6.83 11.94 2 0 18.22-999 ?-999 ?-999 ? ZN ZN B 375 mLEU^B 243 -0.26 -6.62 13.94 0.32 -7.21 14.50 -0.55 -4.71 15.41 0.58 -4.91 15.80 -1.25 -5.71 14.50 -2.34 -6.48 15.24 3 0 14.50-999 ?-999 ?-999 ? ZN ZN B 375 mGLY^B 244 -1.22 -3.61 15.75 -2.14 -3.54 15.38 -1.43 -1.36 16.62 -2.50 -1.35 16.05 -0.61 -2.61 16.62-999.99-999.99-999.99 1 0 11.85-999 ?-999 ?-999 ? ZN ZN B 375 mLEU^B 245 -0.96 -0.32 17.30 -0.07 -0.48 17.72 -1.38 1.89 16.28 -0.20 2.10 15.95 -1.70 0.93 17.40 -1.29 1.71 18.65 3 0 8.94-999 ?-999 ?-999 ? ZN ZN B 375 mGLY^B 246 -2.43 2.54 15.77 -3.31 2.24 16.15 -2.14 3.05 13.39 -1.73 1.90 13.21 -2.31 3.58 14.78-999.99-999.99-999.99 1 0 9.61-999 ?-999 ?-999 ? ZN ZN B 375 mLYS^B 247 -2.47 3.88 12.41 -2.87 4.75 12.72 -1.41 4.59 10.32 -1.33 5.72 10.77 -2.25 3.53 11.00 -3.58 3.30 10.24 2 0 12.73-999 ?-999 ?-999 ? ZN ZN B 375 mILE^B 248 -0.76 4.23 9.24 -0.85 3.26 9.00 -0.23 4.92 7.02 -0.08 3.79 6.56 0.02 5.20 8.49 1.53 5.19 8.85 3 0 16.06-999 ?-999 ?-999 ? ZN ZN B 375 mGLY^B 249 -0.68 5.94 6.30 -0.74 6.82 6.77 -0.96 6.97 4.11 -0.48 8.01 4.58 -1.04 5.72 4.91-999.99-999.99-999.99 1 0 18.76-999 ?-999 ?-999 ? ZN ZN B 375 mTYR^B 250 -1.51 6.92 2.91 -2.03 6.09 2.71 -2.60 8.69 1.51 -3.58 8.01 1.16 -1.35 8.03 2.01 -0.61 7.52 0.78 3 0 21.61-999 ?-999 ?-999 ? ZN ZN B 375 mLEU^B 251 -2.55 10.02 1.43 -1.72 10.41 1.82 -3.70 10.48 -0.68 -2.70 10.10 -1.30 -3.61 10.82 0.81 -3.28 12.31 0.94 3 0 22.75-999 ?-999 ?-999 ? ZN ZN B 375 mGLN^B 252 -4.91 10.59 -1.23 -5.62 10.86 -0.58 -4.43 11.40 -3.51 -3.88 11.09 -4.57 -5.17 10.35 -2.66 -6.68 10.33 -2.92 2 0 25.65-999 ?-999 ?-999 ? ZN ZN B 375 mGLU^B 253 -4.39 12.63 -3.02 -4.88 12.74 -2.16 -2.94 14.49 -2.63 -3.32 14.44 -1.47 -3.69 13.71 -3.69 -4.68 14.65 -4.39 2 0 27.82-999 ?-999 ?-999 ? ZN ZN B 375 mGLU^B 254 -1.88 15.20 -3.04 -1.69 15.08 -4.01 -1.86 17.34 -1.81 -2.61 17.87 -2.62 -1.09 16.07 -2.16 0.21 16.49 -2.84 2 0 27.92-999 ?-999 ?-999 ? ZN ZN B 375 mMET^B 255 -1.66 17.84 -0.60 -1.05 17.32 -0.02 -1.43 19.83 0.80 -0.38 19.32 1.21 -2.32 19.07 -0.20 -3.76 18.81 0.31 2 0 27.41-999 ?-999 ?-999 ? ZN ZN B 375 mTHR^B 256 -1.82 21.06 1.14 -2.64 21.39 0.69 -1.41 21.35 3.50 -2.35 20.56 3.66 -1.04 21.83 2.11 -1.26 23.35 1.99 2 0 27.59-999 ?-999 ?-999 ? ZN ZN B 375 mLEU~B 257 -0.67 21.79 4.50 0.09 22.40 4.26 -2.32 22.00 6.23 -3.13 21.35 6.86 -0.98 21.38 5.84 0.14 21.76 6.81 3 0 24.73-999 ?-999 ?-999 ? ZN ZN B 375 mGLY~B 258 -2.55 23.25 5.82 -1.81 23.67 5.30 -5.01 23.27 5.48 -6.08 23.20 6.09 -3.80 23.92 6.13-999.99-999.99-999.99 1 0 25.40-999 ?-999 ?-999 ? ZN ZN B 374 mGLN~B 259 -4.86 22.82 4.24 -3.96 22.98 3.85 -6.23 20.83 4.20 -7.39 20.42 4.33 -5.96 22.16 3.54 -5.59 21.89 2.08 2 0 25.85-999 ?-999 ?-999 ? ZN ZN B 375 mPHE~B 260 -5.17 20.17 4.63 -4.29 20.62 4.49 -5.99 18.97 6.61 -6.81 18.12 6.94 -5.31 18.87 5.25 -3.98 18.12 5.36 3 0 22.46-999 ?-999 ?-999 ? ZN ZN B 375 mALA~B 261 -5.64 19.98 7.40 -4.89 20.54 7.04 -7.79 20.48 8.49 -8.58 20.12 9.35 -6.29 20.23 8.69 -5.64 21.42 9.38 2 0 20.66-999 ?-999 ?-999 ? ZN ZN B 374 mGLU~B 262 -8.18 21.11 7.38 -7.43 21.38 6.78 -10.26 20.09 6.67 -11.46 19.91 6.86 -9.60 21.37 7.10 -9.77 22.39 5.99 2 0 22.42-999 ?-999 ?-999 ? ZN ZN B 374 mHIS~B 263 -9.47 19.22 6.07 -8.52 19.51 5.96 -10.31 17.12 6.89 -11.38 16.50 6.96 -9.97 17.93 5.64 -8.95 17.23 4.75 3 0 21.37-999 ?-999 ?-999 ? ZN ZN B 375 mVAL~B 264 -9.44 17.20 7.89 -8.65 17.78 7.68 -10.89 16.96 9.85 -11.69 16.11 10.26 -9.61 16.51 9.16 -8.38 16.67 10.07 3 0 17.77-999 ?-999 ?-999 ? ZN ZN B 375 mLYS~B 265 -11.11 18.27 9.91 -10.40 18.85 9.50 -13.56 18.30 9.84 -14.53 17.96 10.50 -12.32 18.80 10.54 -12.33 20.32 10.63 2 0 18.43-999 ?-999 ?-999 ? ZN ZN B 374 mGLN~B 266 -13.55 18.25 8.52 -12.71 18.57 8.08 -14.91 16.24 7.96 -16.01 15.80 8.27 -14.72 17.76 7.80 -14.66 18.13 6.31 2 0 20.48-999 ?-999 ?-999 ? ZN ZN B 374 mSER~B 267 -13.82 15.47 7.79 -12.99 16.00 7.65 -14.28 13.41 9.13 -15.06 12.45 9.14 -13.83 13.99 7.82 -12.42 13.41 7.61 2 0 17.98-999 ?-999 ?-999 ? ZN ZN B 375 mLEU~B 268 -13.75 13.97 10.21 -13.18 14.76 10.00 -15.03 14.30 12.30 -15.23 14.13 13.50 -13.99 13.48 11.58 -12.70 13.50 12.39 3 0 14.93-999 ?-999 ?-999 ? ZN ZN B 375 mASP.B 269 -15.68 15.20 11.55 -15.36 15.24 10.61 -16.40 16.80 13.34 -17.07 16.66 14.34 -16.76 16.04 12.05 -18.05 15.19 12.20 2 0 17.06-999 ?-999 ?-999 ? ZN ZN B 374 mVAL.B 270 -15.35 17.60 13.33 -14.81 17.58 12.49 -15.08 19.89 14.08 -14.84 20.18 12.91 -15.04 18.43 14.51 -13.69 18.10 15.19 3 0 16.24-999 ?-999 ?-999 ? ZN ZN B 374 mLYS.B 271 -15.38 20.80 15.00 -15.51 20.43 15.92 -14.17 23.01 14.64 -14.04 24.00 13.93 -15.49 22.23 14.65 -16.50 22.93 15.56 2 0 19.21-999 ?-999 ?-999 ? ZN ZN B 374 mGLY.B 272 -13.20 22.57 15.44 -13.45 21.78 15.99 -10.83 22.17 15.64 -11.16 21.02 15.94 -11.90 23.22 15.48-999.99-999.99-999.99 1 0 18.77-999 ?-999 ?-999 ? ZN ZN B 374 mALA.B 273 -9.57 22.52 15.40 -9.49 23.46 15.05 -7.22 22.50 15.90 -7.29 23.73 15.73 -8.43 21.62 15.62 -8.14 20.75 14.42 2 0 17.10-999 ?-999 ?-999 ? ZN ZN B 374 mARG^B 274 -6.13 21.89 16.35 -6.22 20.91 16.49 -3.85 22.02 15.71 -3.79 20.81 15.57 -4.90 22.63 16.61 -4.46 22.52 18.06 2 0 18.00-999 ?-999 ?-999 ? ZN ZN B 374 mVAL^B 275 -3.04 22.87 15.09 -3.16 23.83 15.34 -0.69 22.88 14.56 -0.50 24.00 15.02 -2.07 22.44 14.13 -2.39 23.08 12.75 3 0 19.82-999 ?-999 ?-999 ? ZN ZN B 374 mVAL^B 276 0.28 21.98 14.41 -0.03 21.09 14.09 2.32 22.13 13.32 2.15 21.09 12.67 1.67 22.27 14.69 2.30 21.24 15.65 3 0 21.05-999 ?-999 ?-999 ? ZN ZN B 374 mGLY.B 277 3.02 23.16 12.87 3.07 23.93 13.51 3.22 24.33 10.69 2.25 25.05 11.02 3.65 23.16 11.55-999.99-999.99-999.99 1 0 24.23-999 ?-999 ?-999 ? ZN ZN B 374 mLYS.B 278 3.94 24.53 9.58 4.69 23.88 9.45 2.47 25.24 7.76 2.51 24.22 7.10 3.65 25.62 8.65 4.87 25.97 7.80 2 0 27.48-999 ?-999 ?-999 ? ZN ZN B 374 mLEU.B 279 1.44 26.08 7.74 1.58 26.91 8.27 0.40 25.64 5.48 -0.47 25.11 4.79 0.22 25.77 6.99 -0.89 26.78 7.31 3 0 27.20-999 ?-999 ?-999 ? ZN ZN B 374 mASP.B 280 1.55 26.11 5.00 2.15 26.50 5.71 2.77 24.85 3.25 3.12 24.65 2.08 1.91 26.07 3.59 2.63 27.37 3.18 2 0 30.23-999 ?-999 ?-999 ? ZN ZN B 374 mASP.B 281 3.11 24.03 4.24 2.80 24.32 5.15 3.05 21.76 3.29 1.87 21.61 3.58 3.89 22.82 3.99 4.51 22.24 5.26 2 0 28.71-999 ?-999 ?-999 ? ZN ZN B 375 mLYS^B 282 3.65 21.02 2.37 4.62 21.21 2.24 2.86 18.70 2.40 3.84 18.30 3.02 2.91 20.00 1.64 3.53 19.78 0.27 2 0 28.19-999 ?-999 ?-999 ? ZN ZN B 375 mVAL^B 283 1.70 18.04 2.34 0.98 18.47 1.80 1.04 15.68 2.10 0.18 15.91 1.24 1.54 16.78 3.04 0.67 16.89 4.35 3 0 24.88-999 ?-999 ?-999 ? ZN ZN B 375 mARG^B 284 1.62 14.49 2.25 2.36 14.46 2.93 1.07 12.06 2.32 0.06 11.36 2.22 1.19 13.34 1.47 2.06 13.16 0.23 2 0 24.49-999 ?-999 ?-999 ? ZN ZN B 375 mLYS^B 285 2.05 11.78 3.17 2.81 12.43 3.18 1.49 11.01 5.38 2.10 11.86 6.03 1.97 10.60 4.02 3.30 9.85 4.12 2 0 21.80-999 ?-999 ?-999 ? ZN ZN B 375 mVAL^B 286 0.40 10.37 5.81 0.08 9.64 5.21 -0.26 9.58 8.08 -0.53 8.43 7.76 -0.28 10.71 7.05 -1.78 10.97 6.74 3 0 18.29-999 ?-999 ?-999 ? ZN ZN B 375 mALA^B 287 0.02 9.90 9.33 0.31 10.85 9.48 -1.27 9.36 11.23 -1.56 10.56 11.30 -0.09 8.91 10.38 1.12 8.85 11.22 2 0 15.13-999 ?-999 ?-999 ? ZN ZN B 375 mVAL^B 288 -1.96 8.40 11.85 -1.63 7.47 11.69 -3.18 7.71 13.81 -2.84 6.54 13.63 -3.11 8.72 12.69 -4.40 8.71 11.88 3 0 11.69-999 ?-999 ?-999 ? ZN ZN B 375 mLEU^B 289 -3.58 8.16 14.98 -3.80 9.13 15.01 -4.63 7.98 17.01 -4.33 9.07 17.50 -3.66 7.28 16.11 -2.28 7.12 16.77 3 0 8.25-999 ?-999 ?-999 ? ZN ZN B 375 mGLY^B 290 -5.78 7.35 17.24 -5.87 6.46 16.79 -6.47 7.89 19.55 -5.84 6.93 20.01 -6.82 7.95 18.08-999.99-999.99-999.99 1 0 5.66-999 ?-999 ?-999 ? ZN ZN B 375 mGLY^B 291 -6.87 8.90 20.30 -7.40 9.61 19.84 -5.25 9.71 21.97 -4.98 10.65 21.24 -6.52 8.91 21.71-999.99-999.99-999.99 1 0 4.09-999 ?-999 ?-999 ? ZN ZN B 374 mASP^B 292 -4.51 9.36 23.01 -4.87 8.56 23.50 -2.13 9.40 22.65 -1.78 8.24 22.91 -3.29 10.06 23.41 -3.14 9.99 24.96 2 0 6.65-999 ?-999 ?-999 ? ZN ZN B 374 mGLY.B 293 -1.57 10.14 21.69 -1.94 11.06 21.63 0.85 10.33 20.99 1.73 10.21 20.14 -0.50 9.63 20.82-999.99-999.99-999.99 1 0 9.60-999 ?-999 ?-999 ? ZN ZN B 374 mASN.B 294 1.01 11.07 22.09 0.20 11.09 22.67 3.49 10.90 22.29 4.50 11.33 21.73 2.25 11.77 22.41 2.18 12.34 23.84 2 0 12.45-999 ?-999 ?-999 ? ZN ZN B 374 mLYS.B 295 3.43 9.67 22.82 2.53 9.45 23.20 4.97 8.21 21.48 5.91 7.44 21.39 4.57 8.76 22.84 4.29 7.55 23.75 2 0 13.82-999 ?-999 ?-999 ? ZN ZN B 374 mTYR~B 296 4.24 8.55 20.42 3.51 9.22 20.59 5.01 8.91 18.05 5.21 8.47 16.91 4.55 7.96 19.14 3.38 7.07 18.66 3 0 13.93-999 ?-999 ?-999 ? ZN ZN B 375 mILE~B 297 5.19 10.19 18.37 4.95 10.43 19.31 6.99 10.64 16.68 7.13 10.80 15.47 5.71 11.15 17.38 5.95 12.58 17.93 3 0 16.52-999 ?-999 ?-999 ? ZN ZN B 375 mASN~B 298 7.88 9.99 17.43 7.63 9.89 18.40 8.82 8.39 15.82 9.43 8.37 14.74 9.11 9.46 16.85 10.01 8.80 17.91 2 0 19.15-999 ?-999 ?-999 ? ZN ZN B 375 mGLN~B 299 7.94 7.45 16.18 7.54 7.59 17.09 6.95 6.86 14.06 7.27 6.43 12.98 7.59 6.31 15.32 6.63 5.36 16.03 2 0 17.63-999 ?-999 ?-999 ? ZN ZN B 375 mALA~B 300 6.07 7.84 14.22 5.92 8.11 15.17 6.39 8.93 12.10 6.34 8.54 10.96 5.39 8.45 13.10 4.54 9.60 13.56 2 0 17.09-999 ?-999 ?-999 ? ZN ZN B 375 mLYS~B 301 7.32 9.76 12.56 7.24 9.95 13.54 9.38 9.34 11.16 9.85 9.52 10.02 8.36 10.35 11.75 9.06 11.45 12.58 2 0 20.72-999 ?-999 ?-999 ? ZN ZN B 375 mPHE~B 302 9.74 8.29 11.91 9.31 8.28 12.82 10.06 6.58 10.19 10.75 6.13 9.27 10.69 7.25 11.40 11.02 6.22 12.49 3 0 22.20-999 ?-999 ?-999 ? ZN ZN B 375 mLYS~B 303 8.72 6.55 10.17 8.28 6.94 10.98 7.66 6.93 7.89 6.80 6.64 7.07 7.99 5.97 9.05 6.72 5.28 9.52 2 0 21.11-999 ?-999 ?-999 ? ZN ZN B 375 mGLY.B 304 8.34 8.06 7.82 9.00 8.21 8.55 6.79 9.79 6.73 6.34 10.23 5.67 8.09 9.00 6.73-999.99-999.99-999.99 1 0 23.11-999 ?-999 ?-999 ? ZN ZN B 375 mALA.B 305 6.18 9.99 7.89 6.64 9.58 8.68 5.20 12.26 7.75 6.11 12.83 8.36 4.93 10.77 7.95 4.24 10.56 9.28 2 0 20.56-999 ?-999 ?-999 ? ZN ZN B 375 mASP.B 306 4.44 12.90 6.88 3.81 12.31 6.37 3.73 15.01 7.80 4.04 16.12 8.20 4.54 14.33 6.71 3.99 14.73 5.36 2 0 22.53-999 ?-999 ?-999 ? ZN ZN B 375 mVAL^B 307 2.69 14.31 8.27 2.60 13.40 7.87 1.17 13.68 10.15 0.88 12.57 9.66 1.76 14.81 9.29 0.62 15.64 8.63 3 0 19.49-999 ?-999 ?-999 ? ZN ZN B 375 mTYR^B 308 1.01 13.96 11.43 1.28 14.88 11.69 -0.81 13.55 12.98 -0.84 14.68 13.48 0.48 12.99 12.36 1.59 12.71 13.40 3 0 15.84-999 ?-999 ?-999 ? ZN ZN B 375 mVAL^B 309 -1.87 12.74 12.96 -1.71 11.85 12.54 -3.36 12.35 14.80 -3.41 11.11 14.79 -3.15 13.12 13.51 -4.34 12.84 12.49 3 0 13.41-999 ?-999 ?-999 ? ZN ZN B 375 mTHR^B 310 -3.46 13.08 15.92 -3.36 14.06 15.78 -4.28 13.42 18.25 -4.34 14.62 18.00 -3.69 12.44 17.22 -2.41 11.79 17.78 2 0 10.41-999 ?-999 ?-999 ? ZN ZN B 374 mGLY^B 311 -4.71 12.94 19.41 -4.60 11.95 19.51 -4.40 14.02 21.63 -3.37 13.33 21.78 -5.28 13.83 20.42-999.99-999.99-999.99 1 0 8.79-999 ?-999 ?-999 ? ZN ZN B 374 mASP.B 312 -4.76 14.99 22.46 -5.57 15.49 22.13 -2.61 15.77 23.53 -1.77 15.56 24.40 -4.06 15.31 23.72 -4.08 14.12 24.69 2 0 9.86-999 ?-999 ?-999 ? ZN ZN B 374 mMET.B 313 -2.34 16.38 22.38 -3.11 16.46 21.75 -0.69 17.90 23.17 -1.47 18.82 23.47 -1.01 16.88 22.10 -0.91 17.42 20.67 2 0 13.03-999 ?-999 ?-999 ? ZN ZN B 374 mTYR~B 314 0.44 17.64 23.77 0.91 16.87 23.34 2.16 19.25 24.41 2.87 18.93 23.44 1.01 18.32 24.89 1.53 17.19 25.78 3 0 15.29-999 ?-999 ?-999 ? ZN ZN B 374 mTYR~B 315 2.35 20.37 25.11 1.76 20.43 25.91 4.73 20.97 24.41 5.22 21.17 23.30 3.32 21.43 24.75 3.45 22.40 25.90 3 0 18.76-999 ?-999 ?-999 ? O8 EPE B 376 mHIS~B 316 5.40 20.42 25.40 4.91 20.34 26.27 6.79 18.88 24.13 7.77 18.78 23.42 6.75 19.97 25.18 7.41 19.62 26.51 3 0 20.24-999 ?-999 ?-999 ? O8 EPE B 376 mVAL~B 317 5.70 18.12 23.93 4.93 18.31 24.54 5.54 17.77 21.49 6.20 17.36 20.52 5.70 17.10 22.87 4.65 15.99 23.08 3 0 18.02-999 ?-999 ?-999 ? ZN ZN B 374 mALA~B 318 4.67 18.77 21.40 4.13 18.92 22.23 5.91 20.17 19.81 6.33 20.13 18.65 4.54 19.55 20.17 3.54 20.61 20.36 2 0 19.04-999 ?-999 ?-999 ? ZN ZN B 374 mHIS~B 319 6.61 20.76 20.79 6.15 20.79 21.68 8.90 20.18 20.09 9.79 20.40 19.28 7.94 21.30 20.53 8.49 22.06 21.73 3 0 22.61-999 ?-999 ?-999 ? ZN ZN B 374 mASP~B 320 8.71 18.98 20.61 7.99 18.91 21.30 9.23 17.57 18.71 10.16 17.32 17.92 9.54 17.88 20.16 9.35 16.65 21.02 2 0 -21.99-999 ?-999 ?-999 ? ZN ZN B 374s mALA~B 321 7.95 17.63 18.36 7.33 17.86 19.11 8.15 18.36 16.01 8.84 17.93 15.08 7.50 17.37 16.99 6.00 17.39 16.91 2 0 20.89-999 ?-999 ?-999 ? ZN ZN B 374 mMET~B 322 8.02 19.66 16.26 7.46 19.86 17.07 10.11 20.37 15.15 10.57 20.36 13.99 8.65 20.69 15.41 8.54 22.07 16.07 2 0 24.13-999 ?-999 ?-999 ? ZN ZN B 374 mMET~B 323 10.84 20.05 16.21 10.35 20.07 17.09 12.47 18.50 15.12 13.42 18.50 14.31 12.24 19.68 16.05 12.93 19.50 17.39 2 0 26.16-999 ?-999 ?-999 ? ZN ZN B 374 mLEU~B 324 11.63 17.49 15.23 10.96 17.58 15.97 11.37 16.72 12.89 11.83 16.04 11.95 11.71 16.35 14.34 10.75 15.22 14.78 3 0 24.82-999 ?-999 ?-999 ? ZN ZN B 375 mGLY~B 325 10.61 17.78 12.70 10.38 18.28 13.53 8.84 17.45 11.04 8.58 17.14 9.88 10.15 18.18 11.38-999.99-999.99-999.99 1 0 25.63-999 ?-999 ?-999 ? ZN ZN B 375 mLEU.B 326 8.03 17.19 12.06 8.34 17.52 12.94 5.65 17.40 12.22 5.62 17.98 13.31 6.78 16.48 11.88 6.72 15.30 12.83 3 0 22.08-999 ?-999 ?-999 ? ZN ZN B 375 mASN^B 327 4.74 17.55 11.28 4.92 17.05 10.43 2.55 17.55 12.21 2.61 16.32 12.18 3.57 18.38 11.47 3.03 18.84 10.12 2 0 21.30-999 ?-999 ?-999 ? ZN ZN B 374 mILE^B 328 1.60 18.22 12.86 1.66 19.22 12.77 -0.76 18.27 13.51 -0.79 19.49 13.41 0.57 17.56 13.64 0.93 17.58 15.13 3 0 17.84-999 ?-999 ?-999 ? ZN ZN B 374 mVAL^B 329 -1.85 17.51 13.45 -1.64 16.54 13.32 -3.86 17.33 14.70 -3.93 16.08 14.71 -3.22 18.08 13.56 -4.07 17.91 12.30 3 0 16.52-999 ?-999 ?-999 ? ZN ZN B 374 mASP^B 330 -4.27 18.09 15.71 -4.07 19.07 15.59 -6.40 17.95 16.79 -6.76 19.08 17.12 -4.94 17.57 16.86 -4.33 18.16 18.13 2 0 13.63-999 ?-999 ?-999 ? ZN ZN B 374 mPRO.B 331 -7.25 16.99 16.36 -6.83 16.12 16.07 -9.37 16.83 17.65 -10.61 16.86 17.76 -8.70 17.23 16.34 -9.17 16.34 15.21 3 0 13.02-999 ?-999 ?-999 ? ZN ZN B 374 mGLY~B 332 -8.57 16.44 18.64 -7.59 16.49 18.43 -9.17 14.46 20.00 -9.43 13.78 19.00 -9.10 15.99 19.91-999.99-999.99-999.99 1 0 10.10-999 ?-999 ?-999 ? ZN ZN B 374 mHIS~B 333 -8.96 13.94 21.20 -8.68 14.63 21.88 -10.52 12.03 21.19 -10.75 10.86 20.88 -9.10 12.53 21.54 -8.92 12.46 23.07 3 0 -6.28-999 ?-999 ?-999 ? ZN ZN B 374s mASN~B 334 -11.49 12.94 21.24 -11.19 13.88 21.41 -13.19 11.97 19.65 -14.23 11.35 19.45 -12.87 12.53 21.05 -13.83 13.67 21.41 2 0 7.54-999 ?-999 ?-999 ? ZN ZN B 374 mVAL~B 335 -12.31 12.17 18.69 -11.49 12.69 18.95 -12.62 10.09 17.35 -13.00 9.49 16.34 -12.57 11.63 17.36 -11.58 12.15 16.28 3 0 9.04-999 ?-999 ?-999 ? ZN ZN B 374 mGLU~B 336 -12.22 9.45 18.47 -11.81 10.06 19.15 -13.88 7.64 18.68 -14.23 6.46 18.68 -12.39 8.00 18.66 -11.77 7.54 19.97 2 0 6.29-999 ?-999 ?-999 ? ZN ZN B 375s mLYS~B 337 -14.74 8.65 18.73 -14.31 9.54 18.81 -16.59 7.58 17.47 -17.62 6.93 17.50 -16.19 8.44 18.66 -16.90 9.78 18.53 2 0 9.16-999 ?-999 ?-999 ? ZN ZN B 374 mVAL~B 338 -15.78 7.57 16.41 -14.97 8.16 16.50 -16.25 5.26 15.55 -16.87 4.52 14.81 -16.08 6.76 15.22 -15.01 6.95 14.16 3 0 10.42-999 ?-999 ?-999 ? ZN ZN B 375 mMET~B 339 -15.69 4.84 16.68 -15.20 5.57 17.15 -17.18 3.03 17.59 -17.52 1.84 17.56 -15.74 3.47 17.20 -14.71 3.41 18.34 2 0 8.67-999 ?-999 ?-999 ? ZN ZN B 375 mLYS~B 340 -18.05 3.99 17.91 -17.68 4.92 17.85 -20.25 3.14 17.17 -20.91 2.12 17.34 -19.41 3.70 18.30 -20.08 4.95 18.89 2 0 11.47-999 ?-999 ?-999 ? ZN ZN B 375 mGLN~B 341 -20.26 3.82 16.02 -19.72 4.66 16.03 -20.24 2.17 14.24 -20.84 1.24 13.73 -21.03 3.33 14.86 -21.29 4.43 13.81 2 0 14.39-999 ?-999 ?-999 ? ZN ZN B 375 mGLY~B 342 -18.91 2.24 14.27 -18.53 3.07 14.68 -18.44 -0.19 14.41 -18.83 -1.14 13.73 -18.10 1.14 13.74-999.99-999.99-999.99 1 0 13.01-999 ?-999 ?-999 ? ZN ZN B 375 mVAL~B 343 -18.29 -0.26 15.73 -17.96 0.60 16.13 -20.05 -1.84 16.41 -20.38 -3.02 16.29 -18.57 -1.46 16.53 -18.08 -1.33 18.02 3 0 12.77-999 ?-999 ?-999 ? ZN ZN B 375 mGLN~B 344 -20.93 -0.85 16.38 -20.56 0.08 16.45 -22.60 -1.95 15.00 -23.33 -2.97 15.07 -22.32 -1.12 16.26 -23.13 0.18 16.19 2 0 15.85-999 ?-999 ?-999 ? ZN ZN B 375 mLYS~B 345 -22.02 -1.53 13.86 -21.43 -0.74 13.96 -21.72 -3.62 12.62 -22.42 -4.57 12.23 -22.26 -2.20 12.60 -21.78 -1.38 11.38 2 0 17.83-999 ?-999 ?-999 ? ZN ZN B 375 mGLN~B 346 -20.50 -3.75 13.12 -20.10 -2.89 13.43 -20.61 -6.00 14.08 -20.89 -7.14 13.69 -19.81 -5.03 13.20 -18.43 -4.77 13.82 2 0 17.04-999 ?-999 ?-999 ? ZN ZN B 375 mLEU~B 347 -21.03 -5.49 15.24 -20.80 -4.53 15.37 -23.17 -6.59 15.76 -23.60 -7.75 15.85 -21.76 -6.29 16.22 -21.69 -5.65 17.63 3 0 17.87-999 ?-999 ?-999 ? ZN ZN B 375 mGLN~B 348 -23.88 -5.62 15.22 -23.44 -4.72 15.17 -25.17 -6.97 13.63 -26.01 -7.86 13.56 -25.23 -5.92 14.75 -25.96 -4.65 14.30 2 0 20.84-999 ?-999 ?-999 ? ZN ZN B 375 mGLU~B 349 -24.15 -6.89 12.77 -23.54 -6.11 12.96 -23.72 -9.26 12.23 -24.34 -10.22 11.75 -23.92 -7.84 11.67 -22.71 -7.39 10.82 2 0 22.13-999 ?-999 ?-999 ? ZN ZN B 375 mLYS~B 350 -22.88 -9.37 13.25 -22.45 -8.50 13.49 -23.84 -11.25 14.61 -24.11 -12.42 14.43 -22.61 -10.64 13.95 -21.57 -10.43 15.04 2 0 22.02-999 ?-999 ?-999 ? ZN ZN B 375 mVAL~B 351 -24.57 -10.46 15.40 -24.26 -9.51 15.44 -26.83 -11.42 15.18 -27.55 -12.39 15.45 -25.73 -10.98 16.11 -26.28 -10.01 17.18 3 0 23.71-999 ?-999 ?-999 ? ZN ZN B 375 mASP~B 352 -26.97 -10.71 14.07 -26.36 -9.92 13.99 -27.55 -12.37 12.37 -28.41 -13.15 12.01 -27.95 -11.08 13.06 -28.14 -9.98 12.04 2 0 26.30-999 ?-999 ?-999 ? ZN ZN B 375 mALA~B 353 -26.25 -12.60 12.17 -25.65 -11.86 12.46 -26.15 -15.07 12.46 -26.64 -16.09 11.96 -25.80 -13.87 11.56 -24.32 -13.83 11.25 2 0 27.12-999 ?-999 ?-999 ? ZN ZN B 375 mLYS~B 354 -25.94 -14.94 13.77 -25.56 -14.05 14.04 -27.72 -16.08 15.10 -28.10 -16.91 15.93 -26.24 -16.01 14.73 -25.42 -15.87 16.00 2 0 27.88-999 ?-999 ?-999 ? ZN ZN B 375 mLYS.B 355 -28.53 -15.19 14.52 -28.05 -14.55 13.93 -30.42 -14.86 16.18 -31.37 -15.44 16.68 -29.99 -15.16 14.74 -30.65 -16.47 14.27 2 0 29.83-999 ?-999 ?-999 ? ZN ZN B 375 mLEU.B 356 -29.72 -13.95 16.84 -28.96 -13.57 16.32 -30.93 -12.29 18.19 -30.51 -11.29 17.62 -30.05 -13.55 18.22 -28.77 -13.23 18.96 3 0 28.18-999 ?-999 ?-999 ? ZN ZN B 375 mASN.B 357 -32.15 -12.28 18.75 -32.48 -13.14 19.15 -32.43 -10.01 19.82 -32.85 -10.07 20.98 -32.85 -10.98 18.72 -34.36 -10.98 18.28 2 0 28.87-999 ?-999 ?-999 ? ZN ZN B 375 mVAL.B 358 -31.52 -9.15 19.41 -31.27 -9.26 18.45 -30.66 -6.90 19.36 -30.17 -7.04 18.23 -30.95 -8.13 20.25 -29.65 -8.67 20.95 3 0 25.65-999 ?-999 ?-999 ? ZN ZN B 375 mHIS^B 359 -30.99 -5.71 19.86 -31.45 -5.72 20.75 -29.43 -3.85 19.67 -29.37 -3.61 20.87 -30.68 -4.51 19.10 -31.85 -3.53 19.06 3 0 23.96-999 ?-999 ?-999 ? ZN ZN B 375 mILE^B 360 -28.45 -3.58 18.80 -28.64 -3.89 17.87 -27.38 -1.42 18.76 -27.67 -1.16 17.59 -27.23 -2.87 19.17 -25.99 -3.41 18.42 3 0 20.17-999 ?-999 ?-999 ? ZN ZN B 375 mHIS^B 361 -27.14 -0.51 19.70 -26.84 -0.90 20.57 -25.96 1.61 19.66 -25.05 1.07 20.32 -27.29 0.93 19.49 -28.22 1.55 20.52 3 0 19.18-999 ?-999 ?-999 ? ZN ZN B 375 mALA^B 362 -25.83 2.79 19.06 -26.63 3.07 18.55 -25.12 4.78 19.90 -26.28 5.22 19.65 -24.59 3.58 19.16 -24.10 3.96 17.83 2 0 16.28-999 ?-999 ?-999 ? ZN ZN B 375 mSER.B 363 -24.33 5.25 20.86 -23.46 4.76 20.94 -24.65 7.61 20.87 -23.69 7.87 20.14 -24.68 6.36 21.71 -23.75 6.47 22.94 2 0 15.83-999 ?-999 ?-999 ? ZN ZN B 374 mGLN.B 364 -25.75 8.34 20.94 -26.44 7.98 21.57 -25.39 10.80 20.89 -25.43 11.88 20.33 -25.92 9.56 20.18 -27.42 9.74 19.90 2 0 17.55-999 ?-999 ?-999 ? ZN ZN B 374 mLEU.B 365 -24.90 10.65 22.12 -24.88 9.70 22.44 -23.07 12.23 22.57 -22.16 11.41 22.41 -24.45 11.79 22.92 -24.55 11.48 24.42 3 0 16.23-999 ?-999 ?-999 ? ZN ZN B 374 mHIS.B 366 -22.92 13.53 22.44 -23.77 14.06 22.55 -20.86 14.20 23.50 -21.31 14.80 24.46 -21.63 14.12 22.17 -21.82 15.51 21.55 3 0 14.68-999 ?-999 ?-999 ? ZN ZN B 374 mTHR.B 367 -19.72 13.55 23.57 -19.44 13.09 22.73 -17.60 14.27 24.72 -16.72 14.02 25.52 -18.95 13.55 24.81 -18.74 12.09 25.35 2 0 11.99-999 ?-999 ?-999 ? ZN ZN B 374 mASP.B 368 -17.41 15.18 23.77 -18.16 15.33 23.13 -16.25 16.91 24.85 -17.24 17.65 24.92 -16.13 15.88 23.75 -15.86 16.57 22.39 2 0 11.50-999 ?-999 ?-999 ? ZN ZN B 374 mPRO.B 369 -15.27 16.94 25.78 -14.54 16.26 25.75 -15.09 19.39 26.22 -15.52 20.37 26.77 -15.42 18.02 26.76 -14.43 17.67 27.87 3 0 12.45-999 ?-999 ?-999 ? O8 EPE B 376 mPHE.B 370 -14.32 19.45 25.15 -14.10 18.57 24.73 -14.69 21.33 23.56 -15.05 20.65 22.60 -13.87 20.73 24.65 -12.46 20.59 24.06 3 0 14.72-999 ?-999 ?-999 ? ZN ZN B 374 mILE.B 371 -14.90 22.64 23.69 -14.58 23.00 24.57 -14.47 24.53 22.27 -13.86 25.19 23.11 -15.51 23.49 22.70 -16.72 24.17 23.28 3 0 17.93-999 ?-999 ?-999 ? ZN ZN B 374 mPHE.B 372 -14.22 24.62 20.97 -14.72 23.96 20.41 -13.90 26.99 20.32 -15.05 27.15 19.85 -13.28 25.61 20.42 -12.78 25.19 19.06 3 0 19.62-999 ?-999 ?-999 ? ZN ZN B 374 mVAL.B 373 -13.16 28.00 20.77 -12.28 27.72 21.17 -12.47 30.30 20.25 -11.29 29.91 20.28 -13.64 29.40 20.67 -14.27 29.96 21.99 3 0 23.29-999 ?-999 ?-999 ? ZN ZN B 374 mSER.C 2 29.77 -53.33 50.90 30.22 -54.22 50.79 30.11 -50.88 51.33 31.09 -51.05 52.07 29.11 -52.00 51.08 28.05 -52.05 52.19 2 0 33.76-999 ?-999 ?-999 ? ZN ZN C 375 mLYS.C 3 29.84 -49.74 50.70 29.01 -49.80 50.14 29.93 -47.47 51.69 28.70 -47.31 51.63 30.63 -48.52 50.80 30.80 -47.94 49.38 2 0 32.49-999 ?-999 ?-999 ? ZN ZN C 375 mILE.C 4 30.72 -46.77 52.53 31.67 -47.07 52.55 30.35 -44.44 52.43 31.46 -44.07 52.04 30.20 -45.66 53.33 30.96 -45.44 54.65 3 0 30.33-999 ?-999 ?-999 ? ZN ZN C 375 mPRO.C 5 29.22 -43.81 52.08 28.39 -44.18 52.49 29.50 -41.38 51.86 29.49 -41.31 53.09 29.21 -42.68 51.17 27.76 -42.64 50.71 3 0 27.84-999 ?-999 ?-999 ? ZN ZN C 375 mASN~C 6 29.75 -40.34 51.08 29.81 -40.54 50.10 28.60 -38.28 51.51 27.66 -38.79 50.90 29.92 -39.03 51.64 31.13 -38.29 51.04 2 0 26.65-999 ?-999 ?-999 ? ZN ZN C 375 mGLY~C 7 28.50 -37.10 52.09 29.32 -36.79 52.57 26.80 -36.02 50.60 25.59 -36.12 50.31 27.26 -36.33 52.02-999.99-999.99-999.99 1 0 23.11-999 ?-999 ?-999 ? ZN ZN C 375 mHIS~C 8 27.75 -35.71 49.72 28.68 -35.76 50.10 26.71 -36.37 47.55 25.83 -36.05 46.76 27.46 -35.33 48.33 28.73 -35.00 47.56 3 0 23.32-999 ?-999 ?-999 ? ZN ZN C 375 mGLU~C 9 27.09 -37.63 47.77 27.83 -37.71 48.44 25.07 -38.92 47.56 24.17 -39.04 46.73 26.50 -38.77 47.11 27.28 -40.01 47.47 2 0 24.09-999 ?-999 ?-999 ? ZN ZN C 375 mILE~C 10 24.86 -38.92 48.87 25.69 -38.85 49.41 22.62 -37.91 48.88 21.55 -38.17 48.34 23.50 -39.01 49.43 23.57 -38.97 50.96 3 0 21.25-999 ?-999 ?-999 ? ZN ZN C 375 mILE~C 11 23.09 -36.68 49.00 23.98 -36.64 49.46 22.11 -35.62 47.03 21.02 -35.30 46.58 22.39 -35.51 48.51 23.19 -34.23 48.88 3 0 18.77-999 ?-999 ?-999 ? ZN ZN C 375 mSER~C 12 23.09 -36.13 46.27 23.92 -36.37 46.77 21.81 -37.31 44.53 21.14 -37.19 43.51 22.92 -36.29 44.84 24.23 -36.71 44.19 2 0 20.65-999 ?-999 ?-999 ? ZN ZN C 375 mLEU~C 13 21.62 -38.29 45.41 22.26 -38.28 46.17 19.20 -38.75 45.73 18.16 -39.26 45.31 20.55 -39.28 45.24 20.87 -40.58 45.98 3 0 20.16-999 ?-999 ?-999 ? ZN ZN C 375 mPHE~C 14 19.22 -37.76 46.62 20.14 -37.48 46.91 17.44 -36.25 46.05 16.22 -36.21 45.82 17.99 -37.15 47.12 18.25 -36.32 48.39 3 0 16.39-999 ?-999 ?-999 ? ZN ZN C 375 mGLU~C 15 18.34 -35.52 45.40 19.28 -35.68 45.70 17.48 -35.22 43.08 16.89 -34.55 42.24 17.97 -34.57 44.37 19.11 -33.58 44.11 2 0 16.20-999 ?-999 ?-999 ? ZN ZN C 375 mSER.C 16 17.69 -36.53 42.94 18.23 -36.95 43.68 15.65 -37.31 41.92 14.92 -37.30 40.92 17.18 -37.24 41.79 17.77 -38.65 41.71 2 0 18.38-999 ?-999 ?-999 ? ZN ZN C 375 mMET.C 17 15.17 -37.36 43.16 15.88 -37.35 43.87 13.16 -36.03 43.64 12.00 -35.78 43.35 13.75 -37.43 43.44 13.51 -38.26 44.71 2 0 15.59-999 ?-999 ?-999 ? ZN ZN C 375 mTYR.C 18 13.97 -35.10 44.14 14.91 -35.41 44.30 14.45 -32.72 43.84 15.17 -32.07 44.60 13.50 -33.76 44.41 13.34 -33.56 45.94 3 0 12.77-999 ?-999 ?-999 ? ZN ZN C 375 mPRO~C 19 14.46 -32.56 42.50 13.82 -33.13 41.99 15.16 -30.13 42.27 14.03 -29.71 42.52 15.37 -31.59 41.87 15.13 -31.79 40.37 3 0 14.86-999 ?-999 ?-999 ? ZN ZN C 375 mLYS~C 20 16.25 -29.36 42.30 17.08 -29.85 42.03 15.53 -26.97 41.76 15.17 -25.87 42.17 16.25 -27.94 42.71 17.69 -27.45 42.96 2 0 14.31-999 ?-999 ?-999 ? ZN ZN C 375 mHIS~C 21 15.32 -27.36 40.50 15.71 -28.26 40.28 13.06 -26.52 39.86 12.32 -25.66 39.37 14.57 -26.52 39.56 14.85 -26.92 38.11 3 0 15.67-999 ?-999 ?-999 ? ZN ZN C 375 mLEU~C 22 12.61 -27.47 40.68 13.32 -28.11 40.97 10.87 -26.52 42.17 9.70 -26.11 42.29 11.22 -27.57 41.10 10.89 -28.97 41.64 3 0 12.64-999 ?-999 ?-999 ? ZN ZN C 375 mALA~C 23 11.89 -26.11 42.94 12.74 -26.59 42.74 11.23 -23.76 43.38 11.51 -23.41 42.23 11.77 -25.07 43.97 13.11 -24.84 44.66 2 0 10.70-999 ?-999 ?-999 ? ZN ZN C 375 mMET.C 24 10.45 -23.04 44.18 10.33 -23.40 45.10 10.70 -20.57 43.84 11.65 -20.54 44.63 9.83 -21.81 43.70 8.50 -21.59 44.40 2 0 11.27-999 ?-999 ?-999 ? ZN ZN C 375 mGLU.C 25 10.34 -19.55 43.06 9.56 -19.78 42.47 11.28 -17.72 44.47 10.37 -17.64 45.31 10.98 -18.24 43.04 10.10 -17.25 42.24 2 0 14.25-999 ?-999 ?-999 ? ZN ZN C 375 mGLY.C 26 12.55 -17.44 44.74 13.19 -17.61 43.99 13.00 -17.90 47.22 13.20 -17.48 48.38 12.94 -16.92 46.05-999.99-999.99-999.99 1 0 14.31-999 ?-999 ?-999 ? ZN ZN C 375 mASP.C 27 12.83 -19.20 46.94 12.65 -19.39 45.98 14.39 -20.41 48.37 15.30 -20.09 47.56 12.91 -20.25 47.99 12.27 -21.58 47.53 2 0 11.11-999 ?-999 ?-999 ? ZN ZN C 375 mLYS.C 28 14.62 -20.88 49.60 13.79 -21.10 50.09 16.22 -22.53 50.42 15.82 -23.07 51.45 15.95 -21.05 50.17 16.01 -20.27 51.49 2 0 12.08-999 ?-999 ?-999 ? C7 EPE C 376 mILE.C 29 16.90 -23.21 49.49 17.18 -22.66 48.71 18.66 -25.04 49.41 19.47 -24.22 49.01 17.18 -24.65 49.65 16.25 -25.50 48.78 3 0 12.01-999 ?-999 ?-999 ? ZN ZN C 375 mGLY^C 30 18.99 -26.31 49.68 18.23 -26.88 49.98 21.15 -26.88 50.86 20.58 -26.85 51.93 20.37 -26.80 49.54-999.99-999.99-999.99 1 0 14.80-999 ?-999 ?-999 ? ZN ZN C 375 mLEU^C 31 22.47 -27.00 50.77 22.83 -27.05 49.84 23.23 -25.69 52.65 23.52 -24.67 52.03 23.29 -27.05 51.97 24.75 -27.44 51.66 3 0 17.03-999 ?-999 ?-999 ? C3 EPE C 376 mGLN^C 32 22.84 -25.68 53.91 22.62 -26.57 54.31 23.84 -24.30 55.69 24.39 -23.20 55.92 22.77 -24.42 54.62 21.39 -24.23 55.24 2 0 13.78-999 ?-999 ?-999 ? C3 EPE C 376 mILE^C 33 24.18 -25.41 56.32 23.70 -26.23 56.02 26.07 -26.59 57.28 25.58 -27.70 57.20 25.19 -25.38 57.38 24.50 -25.25 58.77 3 0 14.77-999 ?-999 ?-999 ? C3 EPE C 376 mGLY.C 34 27.39 -26.37 57.26 27.65 -25.40 57.26 28.94 -27.77 55.90 29.07 -26.86 55.07 28.32 -27.49 57.24-999.99-999.99-999.99 1 0 18.40-999 ?-999 ?-999 ? C3 EPE C 376 mALA.C 35 29.33 -29.04 55.72 29.12 -29.61 56.51 29.49 -31.00 54.25 29.08 -31.70 55.17 29.99 -29.58 54.51 31.46 -29.62 54.71 2 0 21.71-999 ?-999 ?-999 ? C3 EPE C 376 mLEU.C 36 29.52 -31.45 53.00 29.89 -30.80 52.33 30.18 -33.75 52.28 29.95 -34.94 52.08 29.05 -32.80 52.67 28.01 -32.75 51.56 3 0 23.67-999 ?-999 ?-999 ? C3 EPE C 376 mASN.C 37 31.40 -33.23 52.16 31.46 -32.25 52.37 33.17 -34.83 52.92 34.40 -34.67 53.21 32.54 -34.06 51.76 33.59 -33.22 51.01 2 0 27.18-999 ?-999 ?-999 ? C3 EPE C 376 mLYS.C 38 32.32 -35.71 53.55 31.41 -35.83 53.15 31.92 -37.71 54.85 30.81 -37.73 54.35 32.75 -36.42 54.75 32.51 -35.51 55.97 2 0 27.81-999 ?-999 ?-999 ? C3 EPE C 376 mPRO.C 39 32.46 -38.80 55.43 33.39 -38.68 55.75 30.38 -39.91 56.36 30.40 -39.37 57.46 31.69 -40.06 55.56 32.65 -40.99 56.31 3 0 28.83-999 ?-999 ?-999 ? ZN ZN C 375 mVAL.C 40 29.27 -40.40 55.80 29.43 -40.84 54.92 27.31 -41.66 56.68 26.85 -42.31 55.74 27.94 -40.28 56.43 26.98 -39.42 55.56 3 0 25.75-999 ?-999 ?-999 ? ZN ZN C 375 mARG.C 41 27.31 -42.11 57.94 27.71 -41.48 58.60 25.27 -43.37 58.60 24.59 -44.39 58.54 26.76 -43.42 58.30 27.44 -43.99 59.55 2 0 26.84-999 ?-999 ?-999 ? ZN ZN C 375 mHIS^C 42 24.77 -42.20 58.99 25.44 -41.46 58.98 22.88 -40.65 58.98 23.61 -39.68 59.12 23.37 -42.01 59.38 23.20 -42.08 60.90 3 0 23.69-999 ?-999 ?-999 ? ZN ZN C 375 mVAL^C 43 21.64 -40.58 58.52 21.19 -41.47 58.49 19.63 -39.17 58.79 18.95 -40.18 59.01 21.00 -39.31 58.10 20.78 -39.29 56.56 3 0 19.93-999 ?-999 ?-999 ? ZN ZN C 375 mLEU^C 44 19.23 -37.93 59.11 19.88 -37.20 58.88 17.00 -36.84 58.86 17.40 -35.77 58.35 17.93 -37.68 59.74 18.12 -36.96 61.09 3 0 17.30-999 ?-999 ?-999 ? ZN ZN C 375 mILE^C 45 15.77 -37.31 58.67 15.58 -38.21 59.07 13.98 -35.76 58.97 13.41 -36.37 59.89 14.81 -36.53 57.93 13.89 -37.39 57.06 3 0 13.75-999 ?-999 ?-999 ? ZN ZN C 375 mALA^C 46 13.91 -34.44 58.80 14.42 -34.10 58.01 12.22 -32.66 58.96 12.40 -32.43 57.77 13.15 -33.59 59.71 14.10 -32.75 60.59 2 0 11.68-999 ?-999 ?-999 ? ZN ZN C 374 mLEU.C 47 11.23 -32.12 59.68 11.14 -32.48 60.61 10.97 -29.74 59.60 11.39 -28.91 58.78 10.37 -31.09 59.13 8.91 -31.30 59.57 3 0 8.07-999 ?-999 ?-999 ? ZN ZN C 374 mASP.C 48 11.06 -29.55 60.91 10.70 -30.31 61.45 12.92 -28.73 62.21 12.96 -29.77 62.90 11.63 -28.35 61.52 10.65 -27.85 62.57 2 0 8.93-999 ?-999 ?-999 ? ZN ZN C 374 mVAL.C 49 13.98 -27.94 62.03 13.87 -27.18 61.39 15.21 -27.43 64.04 15.70 -26.31 64.09 15.21 -28.22 62.75 16.49 -27.89 61.96 3 0 10.52-999 ?-999 ?-999 ? C3 EPE C 376 mTHR~C 50 14.63 -28.00 65.08 14.22 -28.89 64.87 15.80 -27.91 67.14 16.47 -28.80 66.62 14.59 -27.36 66.40 13.35 -27.78 67.17 2 0 10.25-999 ?-999 ?-999 ? C2 EPE C 376 mGLU~C 51 16.09 -27.41 68.33 15.48 -26.69 68.67 17.08 -29.40 69.47 18.05 -30.17 69.39 17.25 -27.92 69.06 17.63 -27.04 70.25 2 0 12.10-999 ?-999 ?-999 ? C2 EPE C 376 mGLU~C 52 15.86 -29.79 69.84 15.16 -29.07 69.81 15.79 -32.12 69.10 16.15 -33.28 69.32 15.57 -31.17 70.25 14.15 -31.33 70.82 2 0 15.21-999 ?-999 ?-999 ? C2 EPE C 376 mVAL~C 53 15.56 -31.65 67.87 15.21 -30.71 67.86 17.31 -32.67 66.46 17.75 -33.77 66.07 15.80 -32.46 66.66 15.15 -31.85 65.38 3 0 15.36-999 ?-999 ?-999 ? C2 EPE C 376 mVAL~C 54 18.10 -31.63 66.75 17.61 -30.81 67.03 20.09 -32.67 67.75 21.00 -33.46 67.47 19.56 -31.70 66.67 20.25 -30.29 66.72 3 0 15.49-999 ?-999 ?-999 ? C2 EPE C 376 mASP~C 55 19.52 -32.62 68.96 18.82 -31.91 69.07 19.68 -34.99 69.55 20.44 -35.89 69.89 19.91 -33.56 70.03 19.09 -33.39 71.33 2 0 18.18-999 ?-999 ?-999 ? C2 EPE C 376 mGLU~C 56 18.61 -35.18 68.77 18.09 -34.35 68.57 19.26 -37.03 67.25 19.59 -38.22 67.23 18.24 -36.51 68.26 16.86 -36.46 67.62 2 0 19.99-999 ?-999 ?-999 ? C2 EPE C 376 mALA~C 57 19.76 -36.11 66.43 19.40 -35.19 66.57 22.06 -36.84 66.08 22.80 -37.68 65.56 20.74 -36.43 65.42 20.93 -35.24 64.51 2 0 20.14-999 ?-999 ?-999 ? C2 EPE C 376 mILE~C 58 22.34 -36.25 67.24 21.66 -35.58 67.54 23.41 -37.94 68.71 24.41 -38.69 68.82 23.54 -36.57 68.01 23.87 -35.42 69.00 3 0 21.69-999 ?-999 ?-999 ? C2 EPE C 376 mGLN~C 59 22.20 -38.29 69.14 21.47 -37.62 68.98 22.00 -40.76 68.81 22.11 -41.93 69.20 22.01 -39.60 69.81 20.75 -39.62 70.67 2 0 24.24-999 ?-999 ?-999 ? C2 EPE C 376 mLEU~C 60 21.87 -40.42 67.53 21.82 -39.43 67.38 23.12 -41.56 65.68 23.37 -42.62 65.09 21.81 -41.40 66.45 20.70 -41.02 65.46 3 0 25.07-999 ?-999 ?-999 ? ZN ZN C 374 mGLY~C 61 23.95 -40.52 65.71 23.64 -39.76 66.28 24.99 -39.96 63.56 25.70 -40.30 62.61 25.22 -40.51 64.97-999.99-999.99-999.99 1 0 25.58-999 ?-999 ?-999 ? C2 EPE C 376 mALA.C 62 23.98 -39.10 63.43 23.49 -38.89 64.27 24.41 -37.23 61.94 24.29 -36.28 62.74 23.65 -38.52 62.14 22.14 -38.28 62.04 2 0 22.96-999 ?-999 ?-999 ? ZN ZN C 375 mASN.C 63 25.19 -37.15 60.88 25.23 -37.96 60.30 25.35 -35.11 59.47 26.05 -34.26 58.91 25.90 -35.90 60.65 27.42 -36.13 60.56 2 0 21.95-999 ?-999 ?-999 ? C3 EPE C 376 mVAL^C 64 24.10 -35.43 59.09 23.72 -36.20 59.60 21.90 -34.81 58.34 21.34 -35.91 58.50 23.38 -34.73 58.03 23.52 -35.34 56.61 3 0 19.68-999 ?-999 ?-999 ? ZN ZN C 375 mILE^C 65 21.27 -33.63 58.40 21.86 -32.83 58.31 19.18 -32.99 57.30 19.56 -31.90 56.82 19.83 -33.56 58.58 19.44 -32.66 59.78 3 0 16.33-999 ?-999 ?-999 ? ZN ZN C 375 mILE^C 66 18.24 -33.73 56.73 18.08 -34.63 57.14 16.20 -32.71 56.14 15.37 -33.48 56.63 17.50 -33.22 55.59 17.25 -34.28 54.52 3 0 13.27-999 ?-999 ?-999 ? ZN ZN C 375 mALA^C 67 16.03 -31.40 56.06 16.77 -30.91 55.59 14.02 -30.09 55.54 14.57 -29.57 54.57 14.85 -30.74 56.60 15.29 -29.68 57.59 2 0 10.33-999 ?-999 ?-999 ? ZN ZN C 375 mHIS.C 68 12.70 -30.06 55.76 12.42 -30.45 56.63 11.70 -28.00 54.93 11.66 -27.32 53.90 11.76 -29.50 54.84 10.38 -30.09 55.12 3 0 -6.59-999 ?-999 ?-999 ? ZN ZN C 375s mHIS.C 69 11.64 -27.47 56.16 11.60 -28.13 56.91 13.08 -25.62 56.59 13.73 -26.17 57.47 11.64 -26.03 56.35 10.81 -25.59 57.54 3 0 -5.94-999 ?-999 ?-999 ? ZN ZN C 374s mPRO.C 70 13.57 -24.66 55.80 12.92 -24.31 55.12 15.24 -23.68 57.32 14.43 -23.00 57.89 14.94 -24.17 55.91 14.97 -22.97 54.94 3 0 9.06-999 ?-999 ?-999 ? C7 EPE C 376 mLEU.C 71 16.39 -24.03 57.88 16.92 -24.69 57.34 17.18 -22.00 59.02 16.86 -21.18 59.86 16.80 -23.49 59.19 17.95 -24.29 59.78 3 0 7.31-999 ?-999 ?-999 ? C3 EPE C 376 mILE.C 72 17.88 -21.66 57.95 18.19 -22.42 57.37 17.13 -19.88 56.62 17.18 -20.43 55.53 18.13 -20.26 57.68 19.52 -20.00 57.09 3 0 7.05-999 ?-999 ?-999 ? C3 EPE C 376 mPHE.C 73 16.19 -18.99 56.92 16.17 -18.68 57.87 15.64 -17.08 55.59 16.02 -16.75 54.48 15.27 -18.53 55.88 13.78 -18.69 56.25 3 0 6.21-999 ?-999 ?-999 ? C7 EPE C 376 mASN.C 74 15.51 -16.21 56.58 15.06 -16.57 57.40 17.55 -14.99 56.56 18.03 -15.79 57.38 16.01 -14.85 56.46 15.47 -13.97 57.59 2 0 -6.59-999 ?-999 ?-999 ? C7 EPE C 376s mPRO.C 75 18.32 -14.28 55.71 17.84 -13.70 55.05 20.30 -13.88 57.16 19.82 -12.87 57.68 19.76 -14.39 55.79 20.24 -13.49 54.64 3 0 9.54-999 ?-999 ?-999 ? C5 EPE C 376 mLEU.C 76 21.29 -14.56 57.73 21.63 -15.34 57.19 22.68 -12.95 59.06 23.74 -12.90 58.45 21.81 -14.17 59.04 22.57 -15.31 59.67 3 0 8.99-999 ?-999 ?-999 ? N1 EPE C 376 mLYS.C 77 22.23 -11.97 59.83 21.35 -12.16 60.25 23.91 -10.91 61.22 24.82 -10.10 61.46 22.95 -10.74 60.05 21.96 -9.67 60.45 2 0 9.61-999 ?-999 ?-999 ? O2S EPE C 376 mALA.C 78 23.65 -11.97 61.99 22.91 -12.55 61.65 24.13 -13.66 63.69 23.11 -14.26 63.33 24.39 -12.24 63.20 23.97 -11.24 64.29 2 0 8.57-999 ?-999 ?-999 ? O2S EPE C 376 mILE.C 79 25.04 -14.20 64.51 25.88 -13.67 64.61 24.88 -15.29 66.68 25.99 -15.28 67.24 24.77 -15.49 65.18 25.70 -16.60 64.84 3 0 7.77-999 ?-999 ?-999 ? O3S EPE C 376 mHIS.C 80 23.74 -15.13 67.33 22.91 -15.18 66.77 23.52 -16.17 69.53 22.42 -16.70 69.63 23.71 -14.91 68.75 22.69 -13.87 69.07 3 0 6.55-999 ?-999 ?-999 ? O3S EPE C 376 mTHR.C 81 24.61 -16.63 70.13 25.41 -16.03 70.03 23.95 -17.78 72.22 23.72 -18.79 72.89 24.63 -17.88 70.86 26.05 -18.39 70.95 2 0 8.57-999 ?-999 ?-999 ? O3S EPE C 376 mASP.C 82 23.58 -16.57 72.61 23.85 -15.84 71.98 21.36 -16.61 73.61 20.59 -16.73 74.57 22.85 -16.32 73.82 23.03 -14.86 74.18 2 0 8.61-999 ?-999 ?-999 ? O3S EPE C 376 mLYS~C 83 20.94 -16.70 72.34 21.69 -16.65 71.67 19.18 -18.26 71.48 20.05 -18.94 70.97 19.52 -16.87 71.96 19.12 -15.82 70.92 2 0 -5.41-999 ?-999 ?-999 ? O3S EPE C 376s mALA~C 84 17.92 -18.68 71.65 17.31 -17.99 72.05 17.88 -20.45 69.86 18.33 -21.56 69.62 17.50 -20.05 71.27 16.01 -20.24 71.47 2 0 6.30-999 ?-999 ?-999 ? O3S EPE C 376 mTYR~C 85 17.70 -19.52 68.93 17.36 -18.65 69.28 19.45 -19.93 67.23 19.84 -20.84 66.50 17.98 -19.77 67.53 17.40 -18.64 66.69 3 0 -4.70-999 ?-999 ?-999 ? O3S EPE C 376s mGLY~C 86 20.27 -19.04 67.80 19.81 -18.37 68.37 22.33 -20.33 68.21 23.33 -20.83 67.72 21.73 -19.07 67.60-999.99-999.99-999.99 1 0 5.92-999 ?-999 ?-999 ? O3S EPE C 376 mLYS~C 87 21.70 -20.83 69.28 20.92 -20.29 69.58 21.92 -23.30 69.06 22.61 -24.29 69.24 22.12 -22.06 69.94 21.32 -22.25 71.23 2 0 8.82-999 ?-999 ?-999 ? O3S EPE C 376 mILE~C 88 20.98 -23.25 68.14 20.47 -22.39 68.13 21.85 -24.43 66.22 22.44 -25.48 65.99 20.73 -24.38 67.23 19.39 -24.24 66.47 3 0 9.86-999 ?-999 ?-999 ? O3S EPE C 376 mILE~C 89 22.16 -23.27 65.64 21.57 -22.52 65.92 24.58 -23.55 65.33 25.40 -24.28 64.75 23.26 -23.16 64.67 23.32 -21.71 64.14 3 0 10.34-999 ?-999 ?-999 ? O3S EPE C 376 mGLU~C 90 24.77 -23.09 66.57 24.02 -22.52 66.89 26.09 -24.91 67.63 27.17 -25.50 67.49 25.99 -23.41 67.36 25.93 -22.65 68.69 2 0 11.99-999 ?-999 ?-999 ? O3S EPE C 376 mLYS~C 91 24.99 -25.51 68.03 24.19 -24.92 68.12 25.31 -27.74 67.02 26.08 -28.70 67.09 24.97 -26.94 68.30 23.64 -27.36 68.92 2 0 14.11-999 ?-999 ?-999 ? O3S EPE C 376 mCYH~C 92 24.78 -27.31 65.88 24.17 -26.52 66.00 26.52 -27.77 64.18 27.18 -28.72 63.76 25.07 -27.93 64.57 24.23 -27.31 63.46 2 0 15.12-999 ?-999 ?-999 ? C2 EPE C 376 mILE~C 93 27.03 -26.55 64.31 26.39 -25.85 64.64 29.41 -27.02 64.89 30.34 -27.65 64.41 28.43 -26.31 63.97 28.76 -24.81 63.85 3 0 16.12-999 ?-999 ?-999 ? O3S EPE C 376 mLYS~C 94 29.22 -26.94 66.20 28.42 -26.40 66.47 30.15 -29.13 67.00 31.15 -29.78 67.30 30.11 -27.61 67.14 29.77 -27.26 68.59 2 0 17.88-999 ?-999 ?-999 ? O3S EPE C 376 mASN~C 95 29.05 -29.69 66.51 28.33 -29.04 66.26 29.09 -31.63 64.94 28.69 -32.75 64.66 28.93 -31.13 66.36 27.60 -31.58 66.97 2 0 19.79-999 ?-999 ?-999 ? O3S EPE C 376 mASP.C 96 29.66 -30.79 64.07 29.91 -29.91 64.46 28.62 -31.74 61.99 28.71 -32.74 61.28 29.88 -31.16 62.66 31.06 -32.15 62.51 2 0 20.86-999 ?-999 ?-999 ? C2 EPE C 376 mILE.C 97 27.47 -31.11 62.23 27.53 -30.31 62.83 25.82 -30.72 60.45 25.69 -29.52 60.59 26.22 -31.58 61.63 25.06 -31.58 62.63 3 0 18.68-999 ?-999 ?-999 ? C2 EPE C 376 mALA^C 98 25.66 -31.36 59.28 25.80 -32.35 59.32 23.77 -30.52 58.04 23.05 -31.42 58.45 25.29 -30.67 58.07 25.77 -31.44 56.87 2 0 17.94-999 ?-999 ?-999 ? C3 EPE C 376 mILE^C 99 23.31 -29.36 57.60 24.02 -28.71 57.31 21.58 -28.75 56.06 22.14 -27.83 55.46 21.89 -29.06 57.53 21.53 -27.86 58.42 3 0 14.83-999 ?-999 ?-999 ? C3 EPE C 376 mTYR^C 100 20.68 -29.55 55.49 20.30 -30.25 56.08 18.83 -29.07 54.00 18.00 -29.75 54.62 20.32 -29.39 54.10 20.67 -30.69 53.34 3 0 14.62-999 ?-999 ?-999 ? ZN ZN C 375 mALA^C 101 18.47 -28.03 53.24 19.21 -27.54 52.78 16.41 -28.19 51.84 16.95 -27.98 50.76 17.04 -27.71 53.14 16.81 -26.24 53.31 2 0 11.15-999 ?-999 ?-999 ? ZN ZN C 375 mALA.C 102 15.26 -28.83 51.97 14.97 -28.98 52.91 13.09 -28.74 50.99 12.21 -29.44 51.48 14.49 -29.28 50.81 14.45 -30.75 50.81 2 0 8.95-999 ?-999 ?-999 ? ZN ZN C 375 mHIS~C 103 12.88 -27.48 50.60 13.65 -27.03 50.15 10.55 -27.02 49.75 9.96 -28.09 49.65 11.59 -26.86 50.85 11.77 -25.41 51.37 3 0 5.99-999 ?-999 ?-999 ? ZN ZN C 375 mTHR~C 104 10.32 -26.01 48.92 10.90 -25.21 49.04 9.45 -27.25 46.91 8.49 -27.72 46.32 9.25 -26.14 47.92 8.90 -24.83 47.20 2 0 5.91-999 ?-999 ?-999 ? ZN ZN C 375 mASN~C 105 10.69 -27.66 46.69 11.40 -27.16 47.17 10.24 -30.12 46.28 9.91 -30.98 45.48 10.91 -28.80 45.79 12.40 -28.97 45.42 2 0 8.53-999 ?-999 ?-999 ? ZN ZN C 375 mVAL~C 106 10.03 -30.26 47.59 10.36 -29.48 48.13 7.83 -31.25 48.18 7.07 -32.22 48.24 9.38 -31.44 48.18 9.97 -31.77 49.60 3 0 6.83-999 ?-999 ?-999 ? ZN ZN C 375 mASP~C 107 7.39 -30.00 48.07 8.12 -29.32 48.04 5.44 -29.94 46.59 4.32 -30.44 46.42 5.97 -29.66 47.99 5.80 -28.16 48.27 2 0 -5.06-999 ?-999 ?-999 ? ZN ZN C 375s mVAL~C 108 6.28 -29.60 45.61 7.15 -29.26 45.96 6.16 -31.09 43.57 5.36 -31.52 42.75 5.99 -29.69 44.17 6.93 -28.72 43.38 3 0 8.68-999 ?-999 ?-999 ? ZN ZN C 375 mALA~C 109 7.20 -31.80 43.98 7.73 -31.36 44.71 6.55 -34.24 43.63 5.95 -34.31 44.71 7.53 -33.10 43.39 8.93 -33.54 43.81 2 0 10.87-999 ?-999 ?-999 ? ZN ZN C 375 mLYS.C 110 6.41 -35.12 42.63 6.91 -34.87 41.81 6.15 -37.19 43.88 7.38 -37.34 44.01 5.59 -36.33 42.73 5.64 -37.13 41.42 2 0 13.20-999 ?-999 ?-999 ? ZN ZN C 375 mGLY.C 111 5.26 -37.71 44.72 4.31 -37.51 44.47 5.95 -37.62 47.09 6.27 -38.10 48.18 5.64 -38.51 45.88-999.99-999.99-999.99 1 0 12.85-999 ?-999 ?-999 ? ZN ZN C 375 mGLY~C 112 5.84 -36.30 46.91 5.56 -36.04 45.98 4.99 -35.12 48.96 4.00 -35.87 48.99 6.12 -35.35 47.97-999.99-999.99-999.99 1 0 9.08-999 ?-999 ?-999 ? ZN ZN C 375 mVAL~C 113 5.14 -34.05 49.75 5.97 -33.53 49.54 2.74 -33.80 50.45 1.97 -34.43 51.18 4.21 -33.66 50.81 4.49 -32.20 51.29 3 0 6.60-999 ?-999 ?-999 ? ZN ZN C 375 mASN~C 114 2.37 -33.24 49.30 3.13 -32.86 48.77 0.42 -34.51 48.37 -0.78 -34.73 48.49 0.99 -33.19 48.87 0.77 -32.01 47.92 2 0 8.36-999 ?-999 ?-999 ? ZN ZN C 375 mASP~C 115 1.26 -35.38 47.81 2.19 -35.03 47.70 0.66 -37.55 48.65 -0.36 -38.26 48.79 0.85 -36.73 47.41 1.88 -37.38 46.52 2 0 11.69-999 ?-999 ?-999 ? ZN ZN C 375 mLEU~C 116 1.64 -37.44 49.55 2.40 -36.86 49.25 0.35 -37.73 51.65 -0.22 -38.58 52.33 1.61 -38.11 50.86 2.87 -37.78 51.67 3 0 11.54-999 ?-999 ?-999 ? ZN ZN C 375 mLEU~C 117 -0.08 -36.48 51.55 0.48 -35.89 50.98 -2.56 -36.51 51.53 -3.56 -36.81 52.18 -1.29 -36.05 52.25 -1.33 -34.53 52.42 3 0 11.15-999 ?-999 ?-999 ? ZN ZN C 375 mALA~C 118 -2.54 -36.54 50.19 -1.70 -36.18 49.78 -3.90 -38.54 49.73 -5.03 -38.93 49.97 -3.69 -37.06 49.43 -3.51 -36.86 47.95 2 0 13.88-999 ?-999 ?-999 ? ZN ZN C 375 mGLU~C 119 -2.84 -39.34 49.71 -1.99 -38.88 49.47 -3.49 -40.93 51.41 -4.42 -41.68 51.62 -2.93 -40.77 50.03 -1.55 -41.44 50.07 2 0 16.11-999 ?-999 ?-999 ? ZN ZN C 375 mALA~C 120 -2.91 -40.21 52.37 -2.18 -39.61 52.03 -4.80 -40.06 53.95 -5.45 -40.71 54.77 -3.31 -40.28 53.77 -2.51 -39.27 54.59 2 0 15.77-999 ?-999 ?-999 ? ZN ZN C 375 mLEU~C 121 -5.34 -39.13 53.15 -4.67 -38.67 52.55 -7.64 -39.80 52.33 -8.86 -39.75 52.42 -6.76 -38.81 53.13 -6.97 -37.40 52.60 3 0 16.96-999 ?-999 ?-999 ? ZN ZN C 375 mGLY~C 122 -7.03 -40.67 51.53 -6.03 -40.63 51.56 -8.36 -40.93 49.44 -9.39 -41.35 48.92 -7.79 -41.59 50.69-999.99-999.99-999.99 1 0 19.71-999 ?-999 ?-999 ? ZN ZN C 375 mLEU.C 123 -7.70 -39.89 48.94 -6.88 -39.63 49.44 -7.77 -39.98 46.47 -6.64 -40.47 46.35 -8.18 -39.22 47.74 -7.65 -37.78 47.66 3 0 18.92-999 ?-999 ?-999 ? ZN ZN C 375 mGLN^C 124 -8.71 -40.04 45.53 -9.56 -39.57 45.79 -8.56 -39.75 43.05 -9.07 -38.63 43.16 -8.53 -40.72 44.24 -9.61 -41.75 44.10 2 0 21.25-999 ?-999 ?-999 ? ZN ZN C 375 mASN^C 125 -8.00 -40.20 41.93 -7.63 -41.12 42.01 -7.42 -37.99 40.97 -8.08 -37.01 40.63 -7.94 -39.40 40.71 -9.33 -39.33 40.03 2 0 21.75-999 ?-999 ?-999 ? ZN ZN C 375 mTHR^C 126 -6.25 -37.90 41.59 -5.80 -38.77 41.79 -5.02 -35.88 40.75 -4.53 -36.53 39.82 -5.70 -36.58 41.92 -4.74 -36.61 43.15 2 0 18.16-999 ?-999 ?-999 ? ZN ZN C 375 mGLU^C 127 -5.05 -34.55 40.81 -5.56 -34.22 41.61 -3.66 -32.58 40.62 -3.96 -32.33 41.76 -4.42 -33.65 39.85 -5.48 -32.88 39.09 2 0 17.49-999 ?-999 ?-999 ? ZN ZN C 375 mVAL^C 128 -2.70 -31.92 40.00 -2.51 -32.24 39.07 -3.04 -29.74 40.95 -3.95 -29.48 40.14 -2.00 -30.83 40.65 -0.82 -30.27 39.78 3 0 14.67-999 ?-999 ?-999 ? ZN ZN C 375 mLEU^C 129 -2.94 -29.11 42.12 -2.18 -29.39 42.70 -3.54 -26.75 41.80 -4.36 -26.15 41.10 -3.91 -28.08 42.45 -4.04 -27.92 43.98 3 0 14.11-999 ?-999 ?-999 ? ZN ZN C 375 mALA^C 130 -2.32 -26.28 42.05 -1.76 -26.87 42.64 -0.54 -25.28 40.79 0.49 -25.54 41.47 -1.84 -25.01 41.51 -1.61 -23.99 42.63 2 0 13.74-999 ?-999 ?-999 ? ZN ZN C 375 mPRO^C 131 -0.57 -25.26 39.45 -1.48 -25.06 39.08 1.64 -24.41 38.82 1.30 -23.18 38.76 0.57 -25.49 38.58 -0.04 -25.33 37.18 3 0 15.11-999 ?-999 ?-999 ? ZN ZN C 375 mTHR^C 132 2.93 -24.92 38.99 3.08 -25.90 38.95 5.15 -24.26 38.28 6.00 -23.41 38.02 4.01 -23.95 39.21 4.56 -23.97 40.66 2 0 13.97-999 ?-999 ?-999 ? ZN ZN C 375 mTYR^C 133 5.17 -25.48 37.77 4.39 -26.07 38.02 5.81 -26.90 35.82 5.05 -27.82 36.08 6.25 -25.91 36.91 7.38 -26.50 37.77 3 0 15.76-999 ?-999 ?-999 ? ZN ZN C 375 mALA^C 134 6.28 -26.66 34.60 6.80 -25.81 34.55 7.39 -27.51 32.67 7.78 -26.46 32.15 6.08 -27.55 33.44 4.94 -27.08 32.58 2 0 19.13-999 ?-999 ?-999 ? ZN ZN C 375 mGLU^C 135 8.06 -28.65 32.62 7.60 -29.42 33.07 9.26 -28.36 30.50 8.28 -28.71 29.84 9.36 -28.76 31.98 9.81 -30.22 32.08 2 0 16.82-999 ?-999 ?-999 ? O1 TRS A 378 mGLU^C 136 10.23 -27.59 30.00 10.89 -27.27 30.67 10.70 -28.55 27.83 11.59 -29.28 28.31 10.28 -27.27 28.56 11.30 -26.16 28.25 2 0 14.26-999 ?-999 ?-999 ? N TRS A 378 mMET^C 137 10.06 -28.84 26.70 9.36 -28.17 26.45 11.21 -29.71 24.70 11.09 -28.63 24.12 10.38 -30.05 25.93 9.11 -30.80 25.49 2 0 13.32-999 ?-999 ?-999 ? N TRS A 378 mLYS^C 138 12.06 -30.66 24.33 12.02 -31.48 24.89 12.86 -31.71 22.29 12.65 -32.82 22.76 12.95 -30.51 23.19 14.40 -30.44 23.67 2 0 10.32-999 ?-999 ?-999 ? N TRS A 378 mLYS^C 139 13.01 -31.48 21.00 13.07 -30.51 20.74 14.57 -32.72 19.67 15.23 -31.79 19.21 13.08 -32.56 20.05 12.27 -32.24 18.81 2 0 10.95-999 ?-999 ?-999 ? N TRS A 378 mVAL^C 140 15.12 -33.90 19.94 14.54 -34.55 20.43 16.39 -34.90 18.19 15.74 -35.94 18.11 16.48 -34.14 19.50 17.25 -35.01 20.48 3 0 9.32-999 ?-999 ?-999 ? N TRS A 378 mVAL^C 141 17.05 -34.37 17.17 17.49 -33.49 17.36 18.59 -35.39 15.69 19.44 -34.51 15.77 17.12 -35.05 15.88 16.63 -34.13 14.75 3 0 8.92-999 ?-999 ?-999 ? O2S EPE C 377 mVAL^C 142 18.92 -36.66 15.48 18.14 -37.29 15.48 20.42 -37.83 13.93 19.47 -38.49 13.49 20.31 -37.06 15.27 20.86 -37.82 16.51 3 0 7.76-999 ?-999 ?-999 ? C2 EPE C 377 mPHE^C 143 21.56 -37.71 13.26 22.23 -37.13 13.72 22.82 -39.44 12.13 23.92 -39.16 12.60 21.78 -38.36 11.94 22.20 -37.31 10.92 3 0 5.27-999 ?-999 ?-999 ? C2 EPE C 377 mVAL^C 144 22.47 -40.68 11.78 21.58 -40.75 11.32 23.34 -42.81 10.89 22.31 -43.03 10.26 23.32 -41.84 12.07 22.75 -42.68 13.27 3 0 7.66-999 ?-999 ?-999 ? C2 EPE C 377 mPRO~C 145 24.50 -43.40 10.58 25.32 -43.09 11.06 23.60 -45.64 10.02 23.54 -45.93 11.23 24.47 -44.45 9.56 25.94 -44.87 9.47 3 0 7.67-999 ?-999 ?-999 ? O8 EPE C 377 mVAL~C 146 22.94 -46.31 9.07 23.11 -45.93 8.16 22.75 -48.56 10.12 22.11 -49.32 10.86 22.05 -47.47 9.33 21.42 -48.06 8.01 3 0 11.05-999 ?-999 ?-999 ? O8 EPE C 377 mTHR~C 147 24.08 -48.65 9.99 24.48 -48.00 9.34 24.76 -49.34 12.25 24.73 -50.25 13.06 24.85 -49.62 10.75 26.34 -49.65 10.35 2 0 12.50-999 ?-999 ?-999 ? O8 EPE C 377 mHIS~C 148 24.67 -48.07 12.62 24.64 -47.39 11.89 23.33 -47.21 14.56 23.21 -46.90 15.74 24.63 -47.76 14.03 25.81 -46.88 14.40 3 0 12.77-999 ?-999 ?-999 ? O8 EPE C 377 mALA~C 149 22.33 -47.16 13.68 22.56 -47.53 12.78 20.33 -47.26 15.21 19.90 -46.56 16.14 21.04 -46.59 14.02 20.14 -46.59 12.80 2 0 13.18-999 ?-999 ?-999 ? C2 EPE C 377 mGLU~C 150 20.23 -48.58 15.19 20.66 -49.01 14.39 20.20 -49.17 17.62 19.55 -49.07 18.66 19.54 -49.33 16.25 19.44 -50.80 15.85 2 0 16.87-999 ?-999 ?-999 ? C2 EPE C 377 mGLU~C 151 21.52 -49.12 17.59 21.90 -49.23 16.67 22.12 -47.53 19.35 22.05 -47.37 20.57 22.34 -48.94 18.76 23.79 -49.15 18.32 2 0 17.17-999 ?-999 ?-999 ? C2 EPE C 377 mVAL~C 152 21.97 -46.53 18.49 22.03 -46.83 17.53 20.33 -44.90 19.47 20.17 -44.16 20.42 21.74 -45.12 18.90 22.14 -44.12 17.79 3 0 14.42-999 ?-999 ?-999 ? C2 EPE C 377 mARG~C 153 19.33 -45.57 18.90 19.58 -46.09 18.08 17.94 -46.12 20.86 17.26 -45.58 21.75 17.97 -45.52 19.45 16.99 -46.33 18.61 2 0 16.21-999 ?-999 ?-999 ? C2 EPE C 377 mLYS~C 154 18.65 -47.23 21.07 19.17 -47.55 20.27 19.28 -47.02 23.41 18.78 -46.94 24.52 18.67 -47.92 22.36 19.45 -49.23 22.29 2 0 19.47-999 ?-999 ?-999 ? C2 EPE C 377 mALA~C 155 20.36 -46.35 23.04 20.63 -46.52 22.09 20.24 -44.28 24.33 20.26 -43.86 25.47 21.09 -45.45 23.92 22.34 -44.97 23.23 2 0 17.46-999 ?-999 ?-999 ? C1 TRS A 378 mLEU~C 156 19.50 -43.72 23.38 19.62 -44.14 22.48 17.51 -43.01 24.62 17.23 -42.30 25.59 18.61 -42.60 23.66 18.00 -42.09 22.36 3 0 15.45-999 ?-999 ?-999 ? C1 TRS A 378 mGLY~C 157 16.91 -44.17 24.36 17.28 -44.64 23.56 16.22 -45.03 26.57 15.61 -44.52 27.51 15.82 -44.70 25.16-999.99-999.99-999.99 1 0 18.60-999 ?-999 ?-999 ? O1 TRS A 378 mASP~C 158 17.25 -45.87 26.71 17.60 -46.21 25.84 18.14 -45.05 28.87 17.94 -45.08 30.08 17.81 -46.27 28.01 19.06 -47.14 27.83 2 0 19.75-999 ?-999 ?-999 ? O1 TRS A 378 mALA~C 159 18.60 -43.98 28.23 18.71 -44.13 27.24 17.71 -41.85 29.23 17.86 -40.74 29.76 18.93 -42.72 28.88 19.93 -41.91 28.03 2 0 16.41-999 ?-999 ?-999 ? O1 TRS A 378 mGLY.C 160 16.51 -42.34 28.91 16.54 -43.21 28.43 14.60 -40.76 28.19 13.62 -40.08 28.48 15.27 -41.63 29.25-999.99-999.99-999.99 1 0 17.10-999 ?-999 ?-999 ? O1 TRS A 378 mALA.C 161 15.13 -40.78 26.97 15.94 -41.35 26.87 13.35 -40.77 25.33 13.40 -41.99 25.21 14.54 -40.01 25.90 15.56 -39.75 24.83 2 0 15.39-999 ?-999 ?-999 ? O1 TRS A 378 mGLY.C 162 12.29 -40.05 24.97 12.39 -39.07 25.11 10.20 -41.35 25.44 9.45 -42.26 25.11 11.10 -40.67 24.41-999.99-999.99-999.99 1 0 17.81-999 ?-999 ?-999 ? N TRS A 378 mHIS.C 163 10.31 -40.91 26.70 10.98 -40.19 26.82 8.37 -40.46 28.15 8.54 -39.58 28.99 9.49 -41.45 27.79 10.35 -41.80 29.01 3 0 20.15-999 ?-999 ?-999 ? O1 TRS A 378 mILE.C 164 7.24 -40.62 27.46 7.29 -41.37 26.80 4.84 -40.69 27.92 4.51 -41.59 27.11 6.05 -39.79 27.65 5.79 -38.90 26.39 3 0 21.59-999 ?-999 ?-999 ? N TRS A 378 mGLY.C 165 4.16 -40.46 29.04 4.52 -39.71 29.59 3.44 -42.67 29.80 4.52 -42.84 30.38 3.00 -41.27 29.42-999.99-999.99-999.99 1 0 25.31-999 ?-999 ?-999 ? N TRS A 378 mASN.C 166 2.63 -43.67 29.47 1.80 -43.38 29.00 3.81 -45.80 28.76 3.92 -47.03 28.79 2.96 -45.07 29.79 1.70 -45.88 30.14 2 0 27.71-999 ?-999 ?-999 ? N TRS A 378 mTYR^C 167 4.41 -45.04 27.85 4.22 -44.06 27.94 6.68 -45.01 26.93 6.84 -43.81 27.16 5.28 -45.60 26.83 4.72 -45.32 25.42 3 0 25.69-999 ?-999 ?-999 ? N TRS A 378 mSER^C 168 7.69 -45.86 26.78 7.41 -46.82 26.66 9.69 -45.70 25.41 9.00 -46.22 24.51 9.08 -45.42 26.78 9.90 -46.14 27.84 2 0 23.08-999 ?-999 ?-999 ? O1 TRS A 378 mHIS^C 169 10.97 -45.37 25.26 11.36 -44.95 26.08 11.08 -45.08 22.76 11.24 -45.69 21.70 11.75 -45.59 24.04 12.15 -47.06 23.91 3 0 21.32-999 ?-999 ?-999 ? N TRS A 378 mCYH^C 170 10.33 -43.99 22.87 10.28 -43.60 23.79 10.66 -42.74 20.83 11.43 -41.90 21.28 9.66 -43.43 21.72 8.54 -42.47 22.11 2 0 20.61-999 ?-999 ?-999 ? N TRS A 378 mTHR^C 171 10.68 -43.14 19.56 10.04 -43.89 19.36 10.85 -42.65 17.19 9.91 -43.44 16.98 11.53 -42.54 18.55 12.91 -43.28 18.38 2 0 17.81-999 ?-999 ?-999 ? C2 EPE C 377 mPHE^C 172 11.35 -41.83 16.26 12.03 -41.18 16.60 12.15 -41.83 13.98 12.98 -40.94 14.15 10.92 -41.91 14.86 9.91 -40.83 14.48 3 0 16.13-999 ?-999 ?-999 ? O3S EPE C 377 mSER^C 173 12.24 -42.74 13.03 11.47 -43.38 13.01 12.90 -42.89 10.67 12.00 -43.67 10.32 13.37 -42.81 12.12 14.23 -44.06 12.40 2 0 14.06-999 ?-999 ?-999 ? C2 EPE C 377 mSER^C 174 13.56 -42.10 9.82 14.23 -41.51 10.26 14.65 -42.06 7.68 15.64 -41.57 8.21 13.31 -42.10 8.38 12.44 -40.91 7.95 2 0 13.26-999 ?-999 ?-999 ? C9 EPE C 377 mGLU^C 175 14.70 -42.63 6.49 13.84 -43.03 6.16 16.01 -41.49 4.76 15.01 -41.03 4.24 15.93 -42.64 5.74 16.11 -43.97 5.03 2 0 11.70-999 ?-999 ?-999 ? C6 EPE C 377 mGLY^C 176 17.23 -41.02 4.55 17.95 -41.45 5.08 18.93 -39.90 3.27 19.70 -40.80 3.59 17.46 -39.97 3.60-999.99-999.99-999.99 1 0 9.30-999 ?-999 ?-999 ? C6 EPE C 377 mTHR^C 177 19.29 -38.81 2.62 18.56 -38.15 2.47 21.21 -37.32 2.74 20.55 -36.29 2.71 20.64 -38.60 2.16 20.66 -38.52 0.60 2 0 7.12-999 ?-999 ?-999 ? C8 EPE C 377 mGLY^C 178 22.43 -37.40 3.26 22.82 -38.33 3.26 24.28 -35.87 2.86 24.92 -36.75 2.26 23.14 -36.24 3.79-999.99-999.99-999.99 1 0 3.71-999 ?-999 ?-999 ? C6 EPE C 377 mTHR^C 179 24.54 -34.58 2.70 23.93 -33.96 3.20 26.67 -33.41 2.71 26.33 -32.94 3.77 25.65 -34.16 1.85 25.19 -33.26 0.64 2 0 -4.69-999 ?-999 ?-999 ? C5 EPE C 377s mPHE^C 180 27.92 -33.36 2.29 28.10 -33.87 1.44 30.12 -32.37 2.13 30.33 -33.10 1.16 28.92 -32.62 3.02 29.29 -33.30 4.35 3 0 -5.21-999 ?-999 ?-999 ? C5 EPE C 377s mVAL^C 181 30.86 -31.31 2.41 30.49 -30.75 3.16 33.18 -30.79 2.75 33.28 -29.70 3.32 32.10 -30.99 1.69 31.95 -29.71 0.81 3 0 8.86-999 ?-999 ?-999 ? C5 EPE C 377 mPRO^C 182 33.99 -31.83 3.03 33.80 -32.65 2.48 36.01 -30.64 3.75 36.31 -30.37 2.59 35.06 -31.78 4.03 35.78 -33.13 3.87 3 0 9.95-999 ?-999 ?-999 ? C7 EPE C 377 mGLN.C 183 36.46 -29.95 4.80 36.18 -30.32 5.69 38.75 -28.95 5.06 39.09 -29.96 5.68 37.31 -28.77 4.61 36.66 -27.55 5.29 2 0 13.15-999 ?-999 ?-999 ? N4 EPE C 377 mGLU.C 184 39.58 -27.96 4.71 39.13 -27.25 4.18 41.24 -28.50 6.46 40.79 -27.94 7.47 41.00 -27.91 5.07 41.48 -26.46 5.06 2 0 16.64-999 ?-999 ?-999 ? C7 EPE C 377 mGLY.C 185 41.93 -29.65 6.50 42.25 -29.96 5.60 41.09 -31.40 8.04 39.97 -31.06 8.46 42.18 -30.37 7.74-999.99-999.99-999.99 1 0 16.41-999 ?-999 ?-999 ? C7 EPE C 377 mGLY.C 194 37.18 -28.82 -2.44 38.17 -28.98 -2.43 34.99 -29.81 -2.95 34.10 -29.71 -3.80 35.74 -28.58 -2.44-999.99-999.99-999.99 1 0 14.80-999 ?-999 ?-999 ? C5 EPE C 377 mGLN.C 195 35.36 -30.97 -2.40 36.04 -30.85 -1.68 33.44 -32.64 -2.19 33.38 -33.02 -1.03 34.82 -32.27 -2.81 35.91 -33.35 -2.55 2 0 12.94-999 ?-999 ?-999 ? O8 EPE C 377 mLEU.C 196 32.36 -32.53 -2.97 32.55 -32.24 -3.91 30.74 -34.32 -2.26 30.67 -35.05 -3.24 31.01 -32.84 -2.44 29.88 -32.25 -3.31 3 0 10.57-999 ?-999 ?-999 ? O8 EPE C 377 mGLU^C 197 30.57 -34.75 -1.01 30.64 -34.04 -0.31 28.80 -36.32 -0.46 28.09 -35.35 -0.22 30.28 -36.14 -0.71 31.06 -36.58 0.51 2 0 7.46-999 ?-999 ?-999 ? O8 EPE C 377 mARG^C 198 28.34 -37.56 -0.48 29.05 -38.25 -0.64 26.78 -39.23 0.41 27.42 -40.21 0.00 26.92 -37.87 -0.28 26.23 -37.87 -1.64 2 0 6.06-999 ?-999 ?-999 ? O8 EPE C 377 mVAL^C 199 25.96 -39.28 1.46 25.46 -38.44 1.65 24.40 -40.83 2.62 23.70 -39.94 3.08 25.84 -40.51 2.23 26.71 -40.39 3.52 3 0 -4.33-999 ?-999 ?-999 ? O8 EPE C 377s mGLU^C 200 23.94 -42.06 2.40 24.58 -42.66 1.91 22.66 -42.51 4.40 23.62 -42.98 4.98 22.60 -42.47 2.86 22.17 -43.81 2.28 2 0 6.84-999 ?-999 ?-999 ? O8 EPE C 377 mGLU^C 201 21.63 -42.00 5.05 20.87 -41.71 4.47 20.23 -41.99 7.09 19.22 -41.91 6.39 21.61 -41.86 6.50 22.07 -40.45 6.88 2 0 -6.66-999 ?-999 ?-999 ? C8 EPE C 377s mVAL^C 202 20.18 -42.12 8.41 21.08 -42.14 8.84 18.79 -41.00 10.03 19.73 -40.59 10.72 18.93 -42.23 9.15 18.89 -43.55 9.97 3 0 9.29-999 ?-999 ?-999 ? C2 EPE C 377 mARG^C 203 17.60 -40.40 9.96 16.96 -40.84 9.34 16.40 -39.72 11.85 15.23 -40.09 11.65 17.26 -39.22 10.72 16.45 -38.25 9.85 2 0 8.67-999 ?-999 ?-999 ? C2 EPE C 377 mILE^C 204 16.98 -39.75 13.05 17.92 -39.42 13.05 15.86 -39.04 15.07 16.67 -38.19 15.42 16.29 -40.22 14.23 17.20 -41.13 15.11 3 0 11.10-999 ?-999 ?-999 ? C2 EPE C 377 mGLU^C 205 14.58 -38.99 15.41 14.01 -39.72 15.02 13.44 -38.53 17.51 12.88 -39.64 17.47 14.10 -37.94 16.28 13.18 -36.98 15.56 2 0 12.49-999 ?-999 ?-999 ? O3S EPE C 377 mTHR^C 206 13.55 -37.80 18.62 14.04 -36.94 18.50 12.78 -37.01 20.76 13.52 -36.02 20.64 12.97 -38.24 19.88 13.86 -39.30 20.57 2 0 14.59-999 ?-999 ?-999 ? N TRS A 378 mILE^C 207 11.76 -37.07 21.60 11.25 -37.93 21.58 12.12 -36.12 23.86 12.35 -37.23 24.34 11.43 -35.97 22.48 9.85 -35.84 22.59 3 0 14.13-999 ?-999 ?-999 ? N TRS A 378 mILE^C 208 12.51 -35.00 24.46 12.34 -34.18 23.92 12.71 -33.82 26.64 12.33 -32.78 26.10 13.13 -35.01 25.79 14.70 -34.97 25.78 3 0 12.91-999 ?-999 ?-999 ? N TRS A 378 mPRO^C 209 12.73 -34.01 27.98 12.86 -34.95 28.28 13.93 -32.22 28.98 14.95 -32.91 29.04 12.57 -32.89 28.89 12.18 -33.55 30.22 3 0 13.43-999 ?-999 ?-999 ? O1 TRS A 378 mALA.C 210 13.96 -30.89 28.99 13.05 -30.47 28.93 16.23 -30.61 30.12 17.43 -30.59 29.87 15.20 -30.13 29.07 14.89 -28.65 29.26 2 0 10.51-999 ?-999 ?-999 ? O1 TRS A 378 mSER.C 211 15.75 -31.06 31.28 14.75 -31.03 31.35 17.42 -32.81 31.95 18.50 -33.06 32.49 16.63 -31.54 32.35 15.84 -31.82 33.62 2 0 11.95-999 ?-999 ?-999 ? O1 TRS A 378 mLEU~C 212 16.88 -33.60 31.03 15.98 -33.31 30.69 18.52 -34.58 29.40 19.19 -35.52 28.97 17.58 -34.81 30.59 16.61 -35.95 30.24 3 0 11.64-999 ?-999 ?-999 ? O1 TRS A 378 mGLN~C 213 18.58 -33.35 28.89 18.01 -32.68 29.37 20.88 -33.53 27.84 21.35 -34.34 27.02 19.41 -33.05 27.72 19.33 -31.55 27.32 2 0 -7.93-999 ?-999 ?-999 ? O1 TRS A 378s mARG~C 214 21.56 -33.06 28.86 21.04 -32.49 29.49 23.27 -34.90 29.02 24.11 -35.37 28.23 22.97 -33.39 29.03 23.50 -32.70 30.29 2 0 7.74-999 ?-999 ?-999 ? O1 TRS A 378 mLYS~C 215 22.57 -35.65 29.86 21.93 -35.12 30.42 22.35 -37.79 28.62 23.10 -38.65 28.17 22.70 -37.10 29.95 21.84 -37.65 31.11 2 0 11.18-999 ?-999 ?-999 ? O1 TRS A 378 mVAL~C 216 21.25 -37.39 28.00 20.76 -36.66 28.47 21.77 -37.72 25.54 22.03 -38.61 24.73 20.82 -37.99 26.73 19.34 -37.61 26.39 3 0 10.91-999 ?-999 ?-999 ? O1 TRS A 378 mILE~C 217 22.29 -36.49 25.45 21.97 -35.86 26.16 24.56 -36.92 24.59 25.14 -37.42 23.63 23.25 -36.13 24.41 23.52 -34.57 24.36 3 0 8.09-999 ?-999 ?-999 ? C1 TRS A 378 mLYS~C 218 25.01 -37.06 25.84 24.44 -36.63 26.54 26.16 -39.26 25.73 27.09 -39.80 25.13 26.24 -37.78 26.13 26.64 -37.63 27.60 2 0 10.21-999 ?-999 ?-999 ? C1 TRS A 378 mALA~C 219 25.03 -39.90 26.05 24.38 -39.33 26.54 24.69 -41.50 24.21 25.20 -42.47 23.64 24.80 -41.31 25.72 23.52 -41.79 26.39 2 0 13.31-999 ?-999 ?-999 ? C1 TRS A 378 mMET~C 220 24.03 -40.55 23.58 23.66 -39.84 24.18 25.21 -40.48 21.44 25.51 -41.32 20.57 23.85 -40.53 22.14 23.04 -39.30 21.79 2 0 12.14-999 ?-999 ?-999 ? C1 TRS A 378 mVAL~C 221 26.05 -39.51 21.84 25.66 -38.92 22.55 28.29 -40.53 21.50 29.05 -40.93 20.60 27.39 -39.31 21.28 28.05 -38.03 21.84 3 0 11.06-999 ?-999 ?-999 ? O2 TRS A 378 mTHR~C 222 28.20 -41.14 22.67 27.55 -40.73 23.31 28.68 -43.47 22.00 29.62 -44.09 21.41 29.01 -42.32 22.97 28.83 -42.78 24.43 2 0 14.58-999 ?-999 ?-999 ? C1 TRS A 378 mALA~C 223 27.36 -43.72 21.83 26.74 -43.10 22.31 27.15 -44.56 19.52 27.34 -45.50 18.72 26.89 -44.82 20.98 25.41 -45.05 21.20 2 0 15.44-999 ?-999 ?-999 ? C3 EPE C 377 mHIS~C 224 27.14 -43.28 19.16 26.98 -42.65 19.92 28.78 -43.19 17.39 29.72 -42.90 18.14 27.35 -42.86 17.79 27.04 -41.36 17.63 3 0 11.78-999 ?-999 ?-999 ? C3 EPE C 377 mPRO.C 225 28.95 -43.81 16.22 28.10 -43.97 15.73 31.14 -43.04 15.32 32.36 -43.22 15.20 30.25 -44.21 15.70 29.89 -45.00 14.44 3 0 11.75-999 ?-999 ?-999 ? C7 EPE C 377 mTYR.C 226 30.56 -41.87 15.11 29.56 -41.85 15.24 31.89 -39.95 15.90 31.39 -40.05 17.02 31.35 -40.72 14.72 30.62 -39.79 13.75 3 0 9.50-999 ?-999 ?-999 ? C7 EPE C 377 mGLU.C 227 32.94 -39.18 15.61 33.23 -39.22 14.66 32.95 -36.99 16.57 32.56 -36.44 17.60 33.58 -38.36 16.62 35.11 -38.40 16.43 2 0 11.18-999 ?-999 ?-999 ? C3 EPE C 377 mGLU.C 228 32.80 -36.45 15.36 33.23 -36.97 14.63 30.61 -35.57 14.79 30.33 -36.03 13.67 32.07 -35.20 15.17 32.78 -34.28 14.14 2 0 8.61-999 ?-999 ?-999 ? C3 EPE C 377 mVAL.C 229 29.68 -35.37 15.73 30.03 -34.94 16.56 27.31 -34.60 15.25 27.30 -33.60 15.97 28.28 -35.77 15.53 27.75 -36.54 16.77 3 0 6.94-999 ?-999 ?-999 ? C3 EPE C 377 mALA.C 230 26.49 -34.76 14.21 26.61 -35.62 13.72 24.13 -34.07 14.40 23.53 -35.09 14.07 25.50 -33.74 13.85 25.41 -33.57 12.34 2 0 -4.88-999 ?-999 ?-999 ? C2 EPE C 377s mTYR^C 231 23.65 -33.19 15.27 24.26 -32.42 15.46 21.84 -31.93 16.11 22.61 -30.97 16.22 22.37 -33.33 15.88 22.45 -34.13 17.20 3 0 -6.30-999 ?-999 ?-999 ? O2S EPE C 377s mASP^C 232 20.52 -31.84 16.19 20.06 -32.72 16.13 18.96 -30.74 17.59 18.51 -31.83 17.90 19.82 -30.60 16.37 18.91 -30.34 15.16 2 0 5.91-999 ?-999 ?-999 ? C2 TRS A 378 mVAL^C 233 18.75 -29.65 18.31 19.26 -28.85 18.00 16.84 -28.54 19.14 17.21 -27.38 19.07 17.83 -29.66 19.44 18.56 -29.41 20.78 3 0 5.68-999 ?-999 ?-999 ? N TRS A 378 mTYR^C 234 15.59 -28.90 18.92 15.42 -29.88 19.01 13.77 -27.68 19.84 13.44 -28.62 20.56 14.57 -27.95 18.59 13.57 -28.58 17.60 3 0 8.60-999 ?-999 ?-999 ? N TRS A 378 mPRO^C 235 13.45 -26.42 20.11 13.83 -25.71 19.52 11.14 -26.45 20.76 10.85 -26.24 19.59 12.57 -26.18 21.25 12.78 -24.71 21.56 3 0 10.17-999 ?-999 ?-999 ? N TRS A 378 mLEU^C 236 10.28 -26.97 21.62 10.64 -27.12 22.54 7.97 -26.52 22.07 8.39 -26.00 23.10 8.93 -27.29 21.19 8.65 -28.79 21.36 3 0 13.73-999 ?-999 ?-999 ? N TRS A 378 mASP^C 237 6.71 -26.44 21.67 6.53 -26.84 20.77 5.07 -26.80 23.48 4.40 -26.41 24.45 5.68 -25.81 22.50 4.59 -25.19 21.63 2 0 17.08-999 ?-999 ?-999 ? N TRS A 378 mASN^C 238 5.30 -28.08 23.22 5.82 -28.24 22.38 5.43 -28.97 25.45 6.63 -28.66 25.56 4.82 -29.15 24.07 5.28 -30.50 23.50 2 0 18.10-999 ?-999 ?-999 ? N TRS A 378 mLYS^C 239 4.62 -29.15 26.49 3.67 -29.33 26.25 5.17 -30.46 28.50 4.45 -31.36 28.06 5.15 -29.07 27.87 4.38 -28.07 28.75 2 0 18.71-999 ?-999 ?-999 ? N TRS A 378 mGLY^C 240 6.03 -30.64 29.52 6.59 -29.83 29.72 4.93 -32.04 31.19 3.98 -31.24 31.11 6.12 -31.91 30.25-999.99-999.99-999.99 1 0 19.25-999 ?-999 ?-999 ? N TRS A 378 mGLU^C 241 4.94 -33.02 32.08 5.73 -33.63 32.07 3.85 -31.90 33.90 4.92 -31.47 34.35 3.82 -33.13 33.00 3.81 -34.47 33.78 2 0 20.47-999 ?-999 ?-999 ? ZN ZN C 375 mTHR^C 242 2.68 -31.27 34.07 1.92 -31.65 33.55 2.81 -30.58 36.38 2.31 -31.64 36.80 2.56 -30.12 34.96 1.13 -29.54 34.99 2 0 18.11-999 ?-999 ?-999 ? ZN ZN C 375 mLEU^C 243 3.61 -29.80 37.10 3.98 -29.04 36.57 3.53 -28.70 39.23 3.50 -27.62 38.63 3.92 -29.99 38.51 5.40 -30.33 38.72 3 0 14.42-999 ?-999 ?-999 ? ZN ZN C 375 mGLY^C 244 3.20 -28.81 40.52 3.27 -29.74 40.89 2.46 -27.93 42.75 2.79 -28.96 43.31 2.79 -27.67 41.30-999.99-999.99-999.99 1 0 11.70-999 ?-999 ?-999 ? ZN ZN C 375 mLEU^C 245 1.79 -26.99 43.37 1.53 -26.21 42.79 0.12 -27.72 45.01 -0.82 -27.38 44.33 1.47 -27.09 44.77 1.49 -25.70 45.40 3 0 8.98-999 ?-999 ?-999 ? ZN ZN C 375 mGLY^C 246 0.04 -28.61 45.99 0.92 -28.79 46.43 -1.83 -30.21 45.36 -1.49 -30.17 44.17 -1.22 -29.27 46.37-999.99-999.99-999.99 1 0 9.60-999 ?-999 ?-999 ? ZN ZN C 375 mLYS^C 247 -2.76 -31.06 45.85 -2.88 -30.95 46.84 -5.02 -31.83 45.15 -5.52 -31.35 46.15 -3.51 -32.04 45.03 -3.18 -33.49 45.45 2 0 12.87-999 ?-999 ?-999 ? ZN ZN C 375 mILE^C 248 -5.76 -32.15 44.10 -5.25 -32.44 43.28 -7.69 -33.41 43.64 -7.23 -33.85 42.60 -7.20 -32.09 44.18 -7.82 -30.82 43.49 3 0 16.21-999 ?-999 ?-999 ? ZN ZN C 375 mGLY^C 249 -8.57 -34.07 44.40 -8.85 -33.58 45.23 -10.45 -35.61 44.70 -11.09 -34.66 45.17 -9.08 -35.38 44.08-999.99-999.99-999.99 1 0 18.92-999 ?-999 ?-999 ? ZN ZN C 375 mTYR^C 250 -10.88 -36.87 44.74 -10.20 -37.53 44.41 -12.24 -38.26 46.35 -11.54 -39.27 46.29 -12.22 -37.25 45.22 -13.03 -37.83 44.05 3 0 21.83-999 ?-999 ?-999 ? ZN ZN C 375 mLEU^C 251 -13.06 -38.01 47.36 -13.53 -37.13 47.33 -13.88 -40.25 47.83 -14.45 -40.21 46.74 -13.23 -38.99 48.43 -14.08 -38.44 49.58 3 0 22.68-999 ?-999 ?-999 ? ZN ZN C 375 mGLN^C 252 -13.77 -41.37 48.54 -13.23 -41.27 49.38 -15.93 -42.57 48.24 -16.67 -43.16 47.44 -14.39 -42.64 48.13 -13.80 -43.80 48.96 2 0 25.68-999 ?-999 ?-999 ? ZN ZN C 375 mGLU^C 253 -16.41 -41.87 49.27 -15.70 -41.51 49.88 -18.09 -40.24 50.00 -17.22 -39.65 50.64 -17.84 -41.66 49.49 -18.45 -42.70 50.44 2 0 27.79-999 ?-999 ?-999 ? ZN ZN C 375 mGLU^C 254 -19.28 -39.71 49.68 -19.85 -40.33 49.13 -19.90 -38.36 51.62 -20.32 -39.35 52.21 -19.72 -38.37 50.10 -21.04 -37.99 49.41 2 0 27.92-999 ?-999 ?-999 ? ZN ZN C 375 mMET^C 255 -19.57 -37.22 52.22 -19.24 -36.52 51.58 -20.03 -35.52 53.85 -19.92 -34.71 52.91 -19.66 -36.98 53.65 -18.27 -37.05 54.30 2 0 27.26-999 ?-999 ?-999 ? ZN ZN C 375 mTHR^C 256 -20.40 -35.19 55.09 -20.48 -35.95 55.73 -19.29 -33.22 55.80 -18.31 -33.96 55.94 -20.65 -33.80 55.44 -21.63 -33.64 56.64 2 0 27.43-999 ?-999 ?-999 ? ZN ZN C 375 mLEU~C 257 -19.22 -31.89 55.94 -20.08 -31.41 55.79 -17.58 -31.67 57.68 -16.43 -32.00 57.92 -17.98 -31.23 56.27 -18.18 -29.71 56.20 3 0 24.44-999 ?-999 ?-999 ? ZN ZN C 375 mGLY~C 258 -18.56 -31.74 58.59 -19.45 -31.46 58.23 -17.64 -33.52 60.11 -16.72 -33.65 60.92 -18.33 -32.18 59.97-999.99-999.99-999.99 1 0 25.44-999 ?-999 ?-999 ? ZN ZN C 374 mGLN~C 259 -18.08 -34.52 59.33 -18.88 -34.29 58.77 -16.17 -35.90 58.48 -15.30 -36.74 58.71 -17.41 -35.83 59.34 -18.34 -36.96 58.96 2 0 25.65-999 ?-999 ?-999 ? ZN ZN C 375 mPHE~C 260 -16.08 -35.05 57.47 -16.88 -34.48 57.28 -13.77 -34.47 57.64 -12.69 -35.02 57.69 -14.86 -34.99 56.72 -14.97 -34.15 55.47 3 0 22.44-999 ?-999 ?-999 ? ZN ZN C 375 mALA~C 261 -14.07 -33.39 58.35 -14.98 -33.02 58.13 -12.64 -33.80 60.37 -11.47 -33.72 60.71 -13.17 -32.79 59.35 -13.86 -31.71 60.07 2 0 20.68-999 ?-999 ?-999 ? ZN ZN C 374 mGLU~C 262 -13.50 -34.71 60.85 -14.44 -34.57 60.55 -12.14 -36.72 61.03 -11.11 -37.11 61.59 -13.10 -35.81 61.75 -14.31 -36.66 62.22 2 0 22.41-999 ?-999 ?-999 ? ZN ZN C 374 mHIS~C 263 -12.50 -37.07 59.79 -13.38 -36.71 59.50 -10.29 -37.24 58.78 -9.29 -37.92 58.85 -11.66 -37.90 58.95 -12.30 -38.15 57.61 3 0 21.36-999 ?-999 ?-999 ? ZN ZN C 375 mVAL~C 264 -10.23 -35.94 58.57 -11.12 -35.49 58.47 -8.11 -35.47 59.78 -6.90 -35.65 59.71 -8.92 -35.27 58.51 -9.06 -33.79 58.20 3 0 17.74-999 ?-999 ?-999 ? ZN ZN C 375 mLYS~C 265 -8.77 -35.50 60.94 -9.76 -35.43 60.84 -7.46 -37.00 62.46 -6.32 -37.12 62.88 -8.06 -35.63 62.23 -8.96 -35.25 63.42 2 0 18.44-999 ?-999 ?-999 ? ZN ZN C 374 mGLN~C 266 -8.24 -38.03 62.16 -9.14 -37.77 61.81 -6.76 -39.72 61.32 -5.70 -40.29 61.63 -7.81 -39.40 62.34 -9.05 -40.33 62.23 2 0 20.60-999 ?-999 ?-999 ? ZN ZN C 375 mSER~C 267 -7.05 -39.29 60.11 -7.90 -38.75 60.10 -4.93 -38.87 58.93 -3.93 -39.47 58.54 -6.30 -39.53 58.90 -7.16 -38.97 57.79 2 0 18.24-999 ?-999 ?-999 ? ZN ZN C 375 mLEU~C 268 -4.89 -37.62 59.42 -5.78 -37.27 59.70 -3.05 -36.78 60.93 -2.08 -36.06 61.12 -3.65 -36.85 59.52 -3.82 -35.45 58.97 3 0 15.04-999 ?-999 ?-999 ? ZN ZN C 375 mASP~C 269 -3.64 -37.51 61.89 -4.47 -37.97 61.57 -3.04 -36.33 64.02 -1.98 -35.97 64.53 -3.14 -37.64 63.26 -1.79 -38.40 63.28 2 0 16.95-999 ?-999 ?-999 ? ZN ZN C 374 mVAL.C 270 -4.14 -35.59 64.08 -4.92 -35.96 63.56 -5.32 -34.37 65.87 -6.37 -34.99 65.66 -4.18 -34.36 64.84 -4.21 -33.08 63.97 3 0 16.33-999 ?-999 ?-999 ? ZN ZN C 374 mLYS.C 271 -5.09 -33.70 67.00 -4.20 -33.24 67.05 -7.21 -32.66 67.76 -8.35 -32.88 68.14 -6.09 -33.65 68.04 -5.41 -33.46 69.40 2 0 19.18-999 ?-999 ?-999 ? ZN ZN C 374 mGLY.C 272 -6.90 -31.58 67.07 -5.94 -31.49 66.81 -7.76 -29.96 65.38 -6.69 -30.02 64.80 -7.94 -30.61 66.74-999.99-999.99-999.99 1 0 18.55-999 ?-999 ?-999 ? ZN ZN C 374 mALA.C 273 -8.82 -29.34 64.87 -9.65 -29.43 65.43 -9.73 -27.42 63.67 -10.56 -27.35 64.58 -8.76 -28.60 63.60 -9.11 -29.51 62.39 2 0 17.02-999 ?-999 ?-999 ? ZN ZN C 374 mARG^C 274 -9.59 -26.47 62.74 -8.79 -26.58 62.16 -11.25 -25.61 61.28 -10.61 -26.04 60.30 -10.55 -25.36 62.61 -9.85 -24.00 62.60 2 0 17.91-999 ?-999 ?-999 ? ZN ZN C 374 mVAL^C 275 -12.55 -25.35 61.24 -12.92 -24.99 62.10 -14.10 -24.31 59.63 -14.72 -23.64 60.44 -13.34 -25.57 60.06 -14.38 -26.69 60.32 3 0 19.73-999 ?-999 ?-999 ? ZN ZN C 374 mVAL^C 276 -14.06 -24.02 58.33 -13.50 -24.63 57.78 -15.94 -23.45 56.93 -15.67 -24.16 55.98 -14.81 -22.90 57.79 -13.94 -21.99 56.90 3 0 20.95-999 ?-999 ?-999 ? ZN ZN C 374 mGLY.C 277 -17.18 -23.13 57.27 -17.25 -22.57 58.10 -19.40 -24.20 57.35 -19.18 -24.42 58.53 -18.35 -23.56 56.48-999.99-999.99-999.99 1 0 24.27-999 ?-999 ?-999 ? ZN ZN C 374 mLYS.C 278 -20.56 -24.50 56.77 -20.64 -24.22 55.82 -21.29 -26.67 57.60 -21.25 -27.35 56.59 -21.60 -25.17 57.51 -22.94 -24.94 56.81 2 0 27.50-999 ?-999 ?-999 ? ZN ZN C 374 mLEU.C 279 -21.10 -27.18 58.81 -21.24 -26.51 59.54 -21.64 -29.66 58.43 -21.29 -30.83 58.39 -20.73 -28.60 59.04 -20.60 -28.88 60.53 3 0 26.96-999 ?-999 ?-999 ? ZN ZN C 374 mASP.C 280 -22.80 -29.25 57.95 -22.97 -28.26 58.03 -23.79 -30.22 55.83 -24.54 -30.97 55.22 -23.73 -30.22 57.36 -25.13 -30.20 58.02 2 0 29.96-999 ?-999 ?-999 ? ZN ZN C 374 mASP.C 281 -22.92 -29.40 55.22 -22.37 -28.85 55.84 -22.15 -30.58 53.25 -21.32 -31.17 53.92 -22.82 -29.32 53.76 -22.02 -28.08 53.32 2 0 28.80-999 ?-999 ?-999 ? ZN ZN C 375 mLYS^C 282 -22.54 -31.00 52.06 -23.25 -30.45 51.62 -20.59 -31.93 50.82 -20.40 -30.91 50.14 -21.96 -32.19 51.48 -22.94 -32.79 50.48 2 0 28.26-999 ?-999 ?-999 ? ZN ZN C 375 mVAL^C 283 -19.63 -32.81 51.06 -19.85 -33.54 51.71 -17.95 -33.96 49.70 -18.07 -35.06 50.27 -18.34 -32.67 50.40 -17.19 -32.21 51.31 3 0 24.88-999 ?-999 ?-999 ? ZN ZN C 375 mARG^C 284 -17.48 -33.80 48.47 -17.44 -32.85 48.16 -15.64 -34.70 47.08 -14.77 -35.57 47.24 -17.06 -34.92 47.64 -18.07 -35.17 46.52 2 0 24.61-999 ?-999 ?-999 ? ZN ZN C 375 mLYS^C 285 -15.39 -33.58 46.41 -16.16 -32.96 46.24 -13.28 -32.44 46.92 -13.79 -31.40 47.33 -14.01 -33.36 45.98 -13.82 -32.99 44.51 2 0 21.76-999 ?-999 ?-999 ? ZN ZN C 375 mVAL^C 286 -12.05 -32.86 47.23 -11.76 -33.65 46.70 -9.89 -31.74 47.63 -9.23 -32.44 46.86 -11.20 -32.24 48.22 -10.83 -33.31 49.27 3 0 18.26-999 ?-999 ?-999 ? ZN ZN C 375 mALA^C 287 -9.50 -30.53 48.03 -10.18 -30.06 48.60 -7.33 -29.99 48.91 -7.81 -29.75 50.01 -8.21 -29.95 47.66 -8.39 -28.51 47.16 2 0 15.14-999 ?-999 ?-999 ? ZN ZN C 375 mVAL^C 288 -6.07 -30.35 48.77 -5.83 -30.65 47.85 -3.84 -29.63 49.57 -3.34 -29.84 48.48 -5.15 -30.28 49.94 -4.92 -31.66 50.65 3 0 11.68-999 ?-999 ?-999 ? ZN ZN C 375 mLEU^C 289 -3.29 -28.82 50.45 -3.82 -28.67 51.28 -1.32 -28.09 51.55 -1.73 -27.28 52.39 -2.01 -28.21 50.19 -2.20 -26.86 49.50 3 0 8.29-999 ?-999 ?-999 ? ZN ZN C 375 mGLY^C 290 -0.29 -28.89 51.80 -0.02 -29.49 51.04 1.05 -27.54 53.29 1.58 -27.01 52.32 0.35 -28.86 53.11-999.99-999.99-999.99 1 0 5.72-999 ?-999 ?-999 ? ZN ZN C 375 mGLY^C 291 1.07 -26.98 54.51 0.58 -27.50 55.21 0.82 -24.53 54.61 -0.39 -24.71 54.78 1.77 -25.71 54.72-999.99-999.99-999.99 1 0 4.07-999 ?-999 ?-999 ? ZN ZN C 374 mASP^C 292 1.36 -23.34 54.32 2.36 -23.36 54.25 -0.07 -22.08 52.71 0.60 -21.79 51.70 0.57 -22.12 54.12 1.43 -20.86 54.35 2 0 6.42-999 ?-999 ?-999 ? ZN ZN C 374 mGLY.C 293 -1.37 -22.37 52.65 -1.81 -22.60 53.52 -3.16 -21.29 51.21 -4.07 -21.43 50.38 -2.07 -22.34 51.37-999.99-999.99-999.99 1 0 9.40-999 ?-999 ?-999 ? ZN ZN C 374 mASN.C 294 -3.06 -20.23 52.01 -2.32 -20.31 52.68 -4.06 -18.50 50.53 -5.11 -18.02 50.13 -3.93 -19.07 51.94 -3.30 -17.98 52.78 2 0 12.22-999 ?-999 ?-999 ? ZN ZN C 374 mLYS.C 295 -2.97 -18.55 49.77 -2.19 -19.00 50.21 -3.68 -18.80 47.33 -3.87 -18.29 46.23 -2.95 -18.00 48.43 -1.50 -17.71 48.01 2 0 13.51-999 ?-999 ?-999 ? ZN ZN C 374 mTYR~C 296 -4.12 -20.01 47.65 -3.99 -20.26 48.61 -6.20 -21.19 46.83 -6.70 -22.16 46.27 -4.74 -20.88 46.65 -3.93 -22.15 46.51 3 0 13.88-999 ?-999 ?-999 ? ZN ZN C 375 mILE~C 297 -6.91 -20.36 47.58 -6.40 -19.60 47.99 -9.11 -20.38 46.42 -10.13 -21.05 46.22 -8.33 -20.58 47.74 -8.93 -19.74 48.91 3 0 16.56-999 ?-999 ?-999 ? ZN ZN C 375 mASN~C 298 -8.65 -19.49 45.54 -7.80 -19.03 45.80 -9.19 -20.36 43.33 -10.14 -20.74 42.63 -9.36 -19.23 44.30 -8.94 -17.91 43.67 2 0 19.24-999 ?-999 ?-999 ? ZN ZN C 375 mGLN~C 299 -7.99 -20.93 43.34 -7.34 -20.49 43.97 -8.49 -23.26 42.96 -9.17 -23.88 42.16 -7.66 -22.07 42.52 -6.15 -22.34 42.61 2 0 17.74-999 ?-999 ?-999 ? ZN ZN C 375 mALA~C 300 -8.46 -23.54 44.25 -7.86 -22.93 44.77 -10.72 -24.60 44.46 -11.28 -25.63 44.14 -9.24 -24.63 44.86 -9.08 -24.63 46.37 2 0 17.24-999 ?-999 ?-999 ? ZN ZN C 375 mLYS~C 301 -11.33 -23.41 44.45 -10.75 -22.65 44.74 -12.91 -23.32 42.53 -13.86 -23.92 42.03 -12.73 -23.25 44.05 -13.29 -21.93 44.57 2 0 20.93-999 ?-999 ?-999 ? ZN ZN C 375 mPHE~C 302 -12.00 -22.69 41.78 -11.29 -22.22 42.30 -12.07 -24.19 39.83 -12.88 -24.55 39.00 -12.08 -22.73 40.32 -10.93 -21.92 39.69 3 0 22.28-999 ?-999 ?-999 ? ZN ZN C 375 mLYS~C 303 -11.15 -25.00 40.37 -10.53 -24.53 41.00 -12.24 -27.24 40.69 -12.30 -28.46 40.56 -11.06 -26.43 40.09 -9.76 -26.99 40.64 2 0 21.08-999 ?-999 ?-999 ? ZN ZN C 375 mGLY.C 304 -13.16 -26.57 41.39 -12.95 -25.60 41.52 -14.36 -27.93 43.25 -15.27 -28.68 43.53 -14.35 -27.24 41.90-999.99-999.99-999.99 1 0 22.89-999 ?-999 ?-999 ? ZN ZN C 375 mALA.C 305 -13.38 -27.66 44.10 -12.70 -27.01 43.76 -14.55 -27.91 46.22 -15.13 -26.84 46.04 -13.32 -28.27 45.43 -12.06 -27.81 46.19 2 0 20.52-999 ?-999 ?-999 ? ZN ZN C 375 mASP.C 306 -14.94 -28.84 47.08 -14.38 -29.66 47.05 -15.52 -28.23 49.32 -16.20 -27.54 50.09 -16.08 -28.68 47.98 -16.81 -30.01 48.18 2 0 22.48-999 ?-999 ?-999 ? ZN ZN C 375 mVAL^C 307 -14.27 -28.64 49.57 -13.86 -29.16 48.83 -12.07 -28.24 50.51 -11.55 -28.90 49.62 -13.56 -28.36 50.80 -13.79 -29.49 51.84 3 0 19.56-999 ?-999 ?-999 ? ZN ZN C 375 mTYR^C 308 -11.37 -27.41 51.27 -11.91 -26.96 51.98 -9.18 -27.47 52.40 -9.44 -26.82 53.38 -9.93 -27.21 51.08 -9.70 -25.81 50.51 3 0 15.90-999 ?-999 ?-999 ? ZN ZN C 375 mVAL^C 309 -8.23 -28.40 52.39 -8.10 -28.83 51.50 -6.08 -28.13 53.50 -5.26 -28.61 52.75 -7.46 -28.74 53.58 -7.26 -30.27 53.70 3 0 13.45-999 ?-999 ?-999 ? ZN ZN C 375 mTHR^C 310 -5.81 -27.10 54.32 -6.57 -26.86 54.93 -4.23 -25.77 55.67 -5.14 -25.61 56.48 -4.52 -26.41 54.31 -4.53 -25.33 53.19 2 0 10.41-999 ?-999 ?-999 ? ZN ZN C 374 mGLY^C 311 -2.98 -25.37 55.92 -2.33 -25.53 55.18 -2.57 -23.24 57.17 -2.68 -22.60 56.12 -2.62 -24.75 57.19-999.99-999.99-999.99 1 0 8.68-999 ?-999 ?-999 ? ZN ZN C 374 mASP.C 312 -2.43 -22.67 58.36 -2.45 -23.32 59.11 -3.34 -20.34 58.01 -3.09 -19.23 57.59 -2.25 -21.23 58.55 -0.90 -20.80 57.97 2 0 9.74-999 ?-999 ?-999 ? ZN ZN C 374 mMET.C 313 -4.58 -20.80 58.08 -4.67 -21.69 58.52 -5.89 -18.63 58.20 -6.21 -18.56 59.40 -5.68 -20.02 57.53 -6.94 -20.87 57.57 2 0 12.98-999 ?-999 ?-999 ? ZN ZN C 374 mTYR~C 314 -5.72 -17.56 57.43 -5.46 -17.77 56.49 -7.38 -15.80 57.97 -8.18 -16.14 57.10 -5.91 -16.20 57.93 -5.13 -15.18 57.12 3 0 15.27-999 ?-999 ?-999 ? ZN ZN C 374 mTYR~C 315 -7.72 -14.99 58.97 -6.95 -14.73 59.55 -9.73 -14.03 57.91 -10.79 -14.49 57.50 -9.11 -14.56 59.18 -9.13 -13.48 60.28 3 0 18.74-999 ?-999 ?-999 ? O8 EPE C 376 mHIS~C 316 -9.06 -13.06 57.27 -8.19 -12.82 57.68 -9.65 -13.40 54.89 -10.60 -13.35 54.10 -9.60 -12.44 56.08 -8.91 -11.12 55.78 3 0 -20.04-999 ?-999 ?-999 ? O8 EPE C 376s mVAL~C 317 -8.69 -14.29 54.79 -7.96 -14.24 55.48 -9.95 -16.18 53.95 -10.65 -16.52 53.00 -8.74 -15.26 53.72 -7.42 -16.02 53.59 3 0 17.94-999 ?-999 ?-999 ? ZN ZN C 374 mALA~C 318 -10.22 -16.53 55.21 -9.60 -16.15 55.89 -12.66 -16.71 55.20 -13.56 -17.35 54.69 -11.35 -17.41 55.53 -11.30 -17.89 56.96 2 0 19.03-999 ?-999 ?-999 ? ZN ZN C 374 mHIS~C 319 -12.77 -15.40 55.42 -12.00 -14.95 55.86 -14.11 -14.77 53.45 -15.19 -14.91 52.91 -14.02 -14.73 54.98 -14.16 -13.28 55.48 3 0 22.64-999 ?-999 ?-999 ? ZN ZN C 374 mASP~C 320 -12.96 -14.65 52.78 -12.15 -14.51 53.35 -13.38 -16.07 50.86 -14.11 -16.16 49.88 -12.91 -14.70 51.31 -11.50 -14.47 50.76 2 0 -22.04-999 ?-999 ?-999 ? ZN ZN C 374s mALA~C 321 -12.99 -17.11 51.59 -12.41 -16.87 52.36 -14.90 -18.72 51.44 -15.52 -19.37 50.60 -13.40 -18.49 51.25 -12.60 -19.47 52.03 2 0 20.89-999 ?-999 ?-999 ? ZN ZN C 374 mMET~C 322 -15.49 -18.21 52.52 -14.88 -17.75 53.17 -17.65 -17.64 51.53 -18.61 -18.17 51.01 -16.94 -18.33 52.69 -17.44 -17.74 54.00 2 0 24.03-999 ?-999 ?-999 ? ZN ZN C 374 mMET~C 323 -17.15 -16.47 51.11 -16.39 -16.14 51.66 -17.56 -16.49 48.62 -18.38 -16.32 47.72 -17.70 -15.74 49.94 -17.10 -14.31 49.81 2 0 26.07-999 ?-999 ?-999 ? ZN ZN C 374 mLEU~C 324 -16.51 -17.30 48.46 -15.87 -17.30 49.23 -17.30 -19.31 47.30 -17.66 -19.87 46.27 -16.35 -18.10 47.25 -14.93 -18.61 47.10 3 0 24.75-999 ?-999 ?-999 ? ZN ZN C 375 mGLY~C 325 -17.70 -19.70 48.51 -17.40 -19.09 49.24 -17.61 -22.09 48.94 -17.99 -23.22 48.67 -18.52 -20.89 48.72-999.99-999.99-999.99 1 0 25.60-999 ?-999 ?-999 ? ZN ZN C 375 mLEU.C 326 -16.39 -21.85 49.45 -16.21 -20.89 49.64 -15.28 -23.26 51.19 -15.01 -22.39 52.03 -15.41 -22.91 49.71 -14.03 -22.47 49.19 3 0 21.99-999 ?-999 ?-999 ? ZN ZN C 375 mASN^C 327 -15.44 -24.54 51.52 -15.70 -25.15 50.77 -13.78 -25.19 53.12 -13.02 -25.36 52.18 -15.26 -24.99 52.87 -16.01 -26.28 53.09 2 0 21.22-999 ?-999 ?-999 ? ZN ZN C 374 mILE^C 328 -13.39 -25.17 54.39 -14.12 -25.06 55.06 -11.86 -26.12 55.98 -12.67 -26.01 56.88 -12.00 -25.31 54.73 -11.34 -23.92 55.01 3 0 17.82-999 ?-999 ?-999 ? ZN ZN C 374 mVAL^C 329 -10.86 -26.99 56.00 -10.40 -27.13 55.12 -8.99 -27.33 57.39 -8.24 -27.55 56.49 -10.48 -27.66 57.23 -10.65 -29.15 57.17 3 0 16.52-999 ?-999 ?-999 ? ZN ZN C 374 mASP^C 330 -8.59 -26.81 58.54 -9.34 -26.72 59.20 -6.73 -27.32 59.93 -7.00 -27.07 61.10 -7.21 -26.40 58.82 -7.16 -24.94 59.28 2 0 13.50-999 ?-999 ?-999 ? ZN ZN C 374 mPRO.C 331 -6.00 -28.36 59.56 -5.85 -28.47 58.58 -4.13 -28.77 61.09 -3.56 -29.40 61.95 -5.48 -29.26 60.57 -5.30 -30.56 59.79 3 0 12.97-999 ?-999 ?-999 ? ZN ZN C 374 mGLY~C 332 -3.64 -27.64 60.58 -4.21 -27.21 59.88 -1.27 -27.40 60.00 -1.27 -28.44 59.34 -2.36 -27.10 61.01-999.99-999.99-999.99 1 0 10.07-999 ?-999 ?-999 ? ZN ZN C 374 mHIS~C 333 -0.32 -26.47 59.90 -0.47 -25.68 60.51 1.64 -27.83 59.32 2.20 -28.45 58.44 0.82 -26.56 59.01 1.68 -25.31 59.25 3 0 -6.28-999 ?-999 ?-999 ? ZN ZN C 374s mASN~C 334 1.65 -28.23 60.59 1.09 -27.68 61.21 2.01 -30.71 60.44 2.71 -31.67 60.65 2.43 -29.37 61.02 2.44 -29.45 62.54 2 0 7.62-999 ?-999 ?-999 ? ZN ZN C 374 mVAL~C 335 0.90 -30.78 59.69 0.39 -29.93 59.60 1.49 -32.46 57.97 1.43 -33.57 57.47 0.52 -32.05 59.08 -0.96 -32.09 58.59 3 0 9.13-999 ?-999 ?-999 ? ZN ZN C 374 mGLU~C 336 2.37 -31.55 57.57 2.24 -30.65 58.00 4.47 -32.78 57.15 5.38 -33.19 56.46 3.43 -31.83 56.60 4.16 -30.58 56.22 2 0 6.39-999 ?-999 ?-999 ? ZN ZN C 375s mLYS~C 337 4.35 -33.10 58.43 3.59 -32.64 58.89 5.24 -35.40 58.40 6.14 -36.20 58.63 5.23 -34.02 59.10 4.77 -34.15 60.55 2 0 9.21-999 ?-999 ?-999 ? ZN ZN C 374 mVAL~C 338 4.24 -35.67 57.54 3.59 -34.91 57.44 5.29 -37.17 55.90 5.60 -38.25 55.46 4.12 -36.97 56.83 2.86 -37.04 55.97 3 0 10.51-999 ?-999 ?-999 ? ZN ZN C 375 mMET~C 339 5.93 -36.06 55.62 5.57 -35.25 56.08 8.31 -36.67 55.32 9.18 -37.09 54.57 7.06 -36.01 54.74 7.21 -34.54 54.31 2 0 8.82-999 ?-999 ?-999 ? ZN ZN C 375 mLYS~C 340 8.39 -36.81 56.64 7.60 -36.47 57.15 9.65 -38.90 56.96 10.68 -39.38 56.51 9.58 -37.42 57.24 9.62 -37.26 58.75 2 0 11.54-999 ?-999 ?-999 ? ZN ZN C 375 mGLN~C 341 8.58 -39.62 57.28 7.83 -39.09 57.67 8.51 -41.35 55.56 9.03 -42.37 55.12 8.53 -41.07 57.06 7.28 -41.68 57.69 2 0 14.50-999 ?-999 ?-999 ? ZN ZN C 375 mGLY~C 342 7.91 -40.43 54.80 7.53 -39.67 55.32 9.15 -40.46 52.64 9.52 -41.34 51.85 7.81 -40.56 53.34-999.99-999.99-999.99 1 0 13.18-999 ?-999 ?-999 ? ZN ZN C 375 mVAL~C 343 9.89 -39.39 52.95 9.43 -38.75 53.57 12.19 -40.24 52.93 13.07 -40.66 52.21 11.23 -39.18 52.40 11.75 -37.76 52.70 3 0 12.81-999 ?-999 ?-999 ? ZN ZN C 375 mGLN~C 344 12.00 -40.66 54.19 11.26 -40.18 54.67 12.71 -43.02 53.97 13.72 -43.67 53.74 12.82 -41.73 54.78 12.42 -42.01 56.23 2 0 15.95-999 ?-999 ?-999 ? ZN ZN C 375 mLYS~C 345 11.49 -43.39 53.55 10.75 -42.77 53.82 12.00 -44.46 51.42 12.94 -45.19 51.10 11.31 -44.62 52.77 9.83 -45.01 52.56 2 0 17.93-999 ?-999 ?-999 ? ZN ZN C 375 mGLN~C 346 11.52 -43.49 50.64 10.73 -43.02 51.04 13.60 -43.15 49.34 14.21 -43.83 48.53 12.07 -43.15 49.33 11.57 -41.76 48.88 2 0 17.10-999 ?-999 ?-999 ? ZN ZN C 375 mLEU~C 347 14.21 -42.40 50.26 13.59 -41.92 50.88 16.36 -43.60 50.74 17.37 -43.96 50.15 15.67 -42.30 50.32 16.14 -41.10 51.17 3 0 17.85-999 ?-999 ?-999 ? ZN ZN C 375 mGLN~C 348 15.82 -44.30 51.73 15.02 -43.89 52.16 16.44 -46.53 50.93 17.41 -47.24 50.70 16.41 -45.59 52.14 15.59 -46.24 53.24 2 0 20.90-999 ?-999 ?-999 ? ZN ZN C 375 mGLU~C 349 15.36 -46.51 50.15 14.67 -45.87 50.48 16.30 -47.05 47.92 16.85 -47.99 47.33 15.19 -47.33 48.96 13.79 -47.02 48.41 2 0 22.16-999 ?-999 ?-999 ? ZN ZN C 375 mLYS~C 350 16.64 -45.78 47.71 16.11 -45.13 48.26 19.09 -45.76 47.22 19.92 -46.17 46.41 17.69 -45.38 46.76 17.66 -43.87 46.51 2 0 22.17-999 ?-999 ?-999 ? ZN ZN C 375 mVAL~C 351 19.36 -45.60 48.51 18.59 -45.26 49.06 20.87 -47.41 49.15 22.01 -47.89 49.19 20.68 -45.91 49.04 21.01 -45.16 50.40 3 0 23.85-999 ?-999 ?-999 ? ZN ZN C 375 mASP~C 352 19.77 -48.16 49.18 18.91 -47.64 49.16 20.06 -50.17 47.82 20.79 -51.16 47.63 19.85 -49.62 49.22 18.63 -50.25 49.90 2 0 26.34-999 ?-999 ?-999 ? ZN ZN C 375 mALA~C 353 19.45 -49.50 46.84 18.89 -48.74 47.15 21.06 -49.66 44.97 21.53 -50.30 44.03 19.61 -49.87 45.43 18.63 -49.07 44.55 2 0 27.17-999 ?-999 ?-999 ? ZN ZN C 375 mLYS~C 354 21.78 -48.77 45.67 21.29 -48.34 46.43 24.23 -48.97 46.30 25.31 -48.39 46.40 23.17 -48.48 45.31 23.34 -47.01 44.92 2 0 28.11-999 ?-999 ?-999 ? ZN ZN C 375 mLYS.C 355 23.89 -50.04 47.03 22.94 -50.32 46.88 25.42 -49.91 49.07 26.34 -50.38 49.74 24.80 -50.74 47.95 25.96 -51.40 47.18 2 0 30.29-999 ?-999 ?-999 ? ZN ZN C 375 mLEU.C 356 24.91 -48.69 49.26 24.14 -48.48 48.66 25.12 -48.11 51.69 24.00 -48.51 52.01 25.44 -47.75 50.26 24.98 -46.32 49.97 3 0 28.22-999 ?-999 ?-999 ? ZN ZN C 375 mASN.C 357 26.11 -47.95 52.54 26.94 -47.57 52.14 25.53 -47.08 54.76 26.33 -46.49 55.49 25.97 -48.30 53.94 27.30 -48.88 54.43 2 0 28.92-999 ?-999 ?-999 ? ZN ZN C 375 mVAL.C 358 24.26 -46.72 54.60 23.76 -47.28 53.95 22.30 -45.98 55.87 21.50 -46.61 55.17 23.66 -45.59 55.32 23.37 -44.33 54.44 3 0 25.47-999 ?-999 ?-999 ? ZN ZN C 375 mHIS^C 359 22.03 -45.58 57.10 22.78 -45.09 57.54 20.03 -44.44 57.74 20.56 -43.46 58.24 20.75 -45.81 57.74 21.00 -46.28 59.18 3 0 24.11-999 ?-999 ?-999 ? ZN ZN C 375 mILE^C 360 18.84 -44.36 57.15 18.52 -45.21 56.73 17.08 -43.13 58.29 16.50 -44.18 58.55 18.10 -43.09 57.14 17.37 -42.84 55.78 3 0 20.29-999 ?-999 ?-999 ? ZN ZN C 375 mHIS^C 361 16.87 -42.01 58.97 17.40 -41.21 58.68 14.86 -40.91 59.89 15.13 -39.88 59.29 15.91 -41.99 60.08 16.61 -41.75 61.40 3 0 19.12-999 ?-999 ?-999 ? ZN ZN C 375 mALA^C 362 13.67 -41.17 60.41 13.59 -42.09 60.80 12.42 -39.70 61.82 12.00 -40.44 62.70 12.58 -40.21 60.40 11.32 -40.85 59.95 2 0 16.33-999 ?-999 ?-999 ? ZN ZN C 375 mSER.C 363 12.77 -38.43 62.04 13.12 -37.97 61.23 11.33 -38.08 64.03 10.27 -37.94 63.42 12.66 -37.79 63.35 12.80 -36.30 63.19 2 0 16.10-999 ?-999 ?-999 ? ZN ZN C 374 mGLN.C 364 11.40 -38.46 65.30 12.32 -38.46 65.68 9.56 -37.68 66.75 8.37 -37.74 67.12 10.21 -38.85 66.03 10.57 -39.92 67.07 2 0 17.58-999 ?-999 ?-999 ? ZN ZN C 374 mLEU.C 365 10.33 -36.62 66.93 11.24 -36.70 66.52 8.69 -34.75 67.05 8.61 -34.57 65.84 9.88 -35.47 67.67 11.04 -34.51 67.92 3 0 16.31-999 ?-999 ?-999 ? ZN ZN C 374 mHIS.C 366 7.76 -34.37 67.91 7.97 -34.62 68.85 6.89 -32.16 67.53 7.27 -31.62 68.58 6.57 -33.67 67.52 5.48 -34.01 68.53 3 0 14.63-999 ?-999 ?-999 ? ZN ZN C 374 mTHR.C 367 6.74 -31.47 66.41 6.37 -31.98 65.63 5.97 -29.05 66.09 6.24 -27.94 65.64 7.09 -30.04 66.37 8.24 -29.76 65.38 2 0 11.98-999 ?-999 ?-999 ? ZN ZN C 374 mASP.C 368 4.72 -29.43 66.37 4.64 -30.38 66.69 3.64 -27.58 67.38 3.61 -27.99 68.54 3.60 -28.55 66.21 2.31 -29.36 66.29 2 0 11.50-999 ?-999 ?-999 ? ZN ZN C 374 mPRO.C 369 3.76 -26.27 67.09 3.83 -26.05 66.12 2.45 -25.10 68.91 2.44 -24.54 70.00 3.78 -25.29 68.21 4.18 -23.99 67.53 3 0 12.89-999 ?-999 ?-999 ? O8 EPE C 376 mPHE.C 370 1.37 -25.60 68.33 1.58 -26.11 67.50 -0.67 -26.62 69.54 -0.54 -27.76 69.09 0.00 -25.43 68.85 -0.95 -25.08 67.69 3 0 14.73-999 ?-999 ?-999 ? ZN ZN C 374 mILE.C 371 -1.44 -26.32 70.59 -1.42 -25.35 70.84 -3.66 -26.70 71.35 -3.89 -25.57 71.75 -2.25 -27.25 71.33 -1.79 -27.34 72.80 3 0 18.01-999 ?-999 ?-999 ? ZN ZN C 374 mPHE.C 372 -4.61 -27.49 70.87 -4.28 -28.36 70.50 -6.58 -27.35 72.32 -6.38 -28.42 72.92 -6.02 -27.10 70.92 -6.80 -27.89 69.87 3 0 19.64-999 ?-999 ?-999 ? ZN ZN C 374 mVAL.C 373 -7.21 -26.33 72.89 -7.19 -25.49 72.35 -9.34 -26.05 74.06 -9.79 -25.49 73.03 -7.86 -26.46 74.18 -7.19 -25.64 75.30 3 0 23.32-999 ?-999 ?-999 ? ZN ZN C 374