HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-MAY-05 1ZNO COMPND HYPOTHETICAL UPF0244 PROTEIN VC0702; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; SOURCE 3 ORGANISM_TAXID: 666; SOURCE 4 GENE: VIBRIO CHOLERAE; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21DE3 PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28 AUTHOR S.NI,F.FOROUHAR,D.E.BUSSIERE,H.ROBINSON,M.A.KENNEDY, AUTHOR 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 10 8 HET MSE A 55 8 HET MSE A 97 8 HET MSE A 114 8 HET MSE A 133 8 HET MSE B 10 8 HET MSE B 55 8 HET MSE B 97 8 HET MSE B 114 8 HET MSE B 133 8 HET MG A 184 1 HET MG B 184 1 HET MG B 185 1 SITE 1 AC1 1 HIS A 155 SITE 1 AC2 2 HIS B 155 HOH B 484 SITE 1 AC3 6 GLU B 49 ASN B 70 HOH B 349 HOH B 350 mMETA 10 28.74 5.61 84.71 29.68 5.28 84.78 26.99 6.49 83.18 27.72 7.24 82.54 27.33 6.11 84.62 27.14 7.33 85.53 2 0 27.66-999 ?-999 ?-999 ? MG MG B 184 mARG^A 11 25.87 5.96 82.69 25.38 5.37 83.33 25.15 7.72 81.12 25.20 8.51 82.06 25.42 6.23 81.33 24.14 5.44 81.03 2 0 26.50-999 ?-999 ?-999 ? MG MG B 184 mLYS^A 12 24.87 8.10 79.88 24.86 7.37 79.20 23.47 9.69 78.57 23.22 8.84 77.71 24.61 9.51 79.57 25.89 10.16 79.04 2 0 26.39-999 ?-999 ?-999 ? MG MG B 184 mILE^A 13 22.77 10.82 78.69 23.08 11.41 79.44 21.92 12.51 77.20 22.15 13.49 77.90 21.66 11.14 77.81 20.33 11.16 78.58 3 0 24.62-999 ?-999 ?-999 ? MG MG B 184 mILE^A 14 21.91 12.55 75.87 21.71 11.67 75.44 20.84 14.45 74.74 19.99 13.84 74.08 22.15 13.78 75.13 22.97 13.47 73.85 3 0 26.87-999 ?-999 ?-999 ? MG MG B 184 mILE^A 15 20.67 15.70 75.15 21.43 16.05 75.70 19.88 17.41 73.71 20.79 18.23 73.88 19.49 16.46 74.83 18.99 17.30 76.03 3 0 25.74-999 ?-999 ?-999 ? MG MG B 184 mALA.A 16 19.20 17.30 72.57 18.50 16.59 72.59 19.08 19.58 71.63 18.37 20.18 70.82 19.48 18.13 71.40 18.76 17.58 70.18 2 0 27.47-999 ?-999 ?-999 ? MG MG A 184 mSER.A 17 19.54 20.13 72.75 20.10 19.52 73.31 20.06 21.89 74.32 20.27 21.07 75.22 19.25 21.51 73.10 17.76 21.67 73.39 2 0 25.36-999 ?-999 ?-999 ? MG MG A 184 mGLN.A 18 20.52 23.13 74.36 20.29 23.68 73.56 20.41 24.43 76.41 20.86 24.95 77.43 21.30 23.62 75.49 22.47 24.47 75.00 2 0 25.29-999 ?-999 ?-999 ? MG MG A 184 mASN~A 19 19.14 24.55 76.04 18.90 24.08 75.19 18.00 24.62 78.19 17.56 23.48 78.25 18.19 25.31 76.84 16.85 25.40 76.12 2 0 21.80-999 ?-999 ?-999 ? MG MG A 184 mPRO~A 20 18.34 25.32 79.28 18.68 26.25 79.11 16.77 24.24 80.89 16.58 23.20 81.52 18.19 24.74 80.62 18.60 25.88 81.54 3 0 20.03-999 ?-999 ?-999 ? MG MG A 184 mALA~A 21 15.78 24.98 80.39 16.08 25.79 79.89 14.09 23.24 79.97 13.51 22.37 80.61 14.38 24.61 80.58 13.47 25.66 79.94 2 0 16.68-999 ?-999 ?-999 ? MG MG A 184 mLYS~A 22 14.51 23.06 78.72 14.96 23.85 78.31 15.11 20.69 78.68 14.65 19.56 78.79 14.30 21.80 78.03 14.68 21.92 76.56 2 0 18.54-999 ?-999 ?-999 ? MG MG A 184 mVAL~A 23 16.33 21.00 79.11 16.61 21.95 78.96 16.48 19.51 81.03 16.46 18.32 81.33 17.16 19.98 79.74 18.57 20.52 80.08 3 0 20.53-999 ?-999 ?-999 ? MG MG A 184 mASN~A 24 15.92 20.46 81.77 16.01 21.39 81.40 14.07 19.18 82.79 13.91 18.20 83.52 15.23 20.14 83.01 14.70 21.42 83.67 2 0 17.56-999 ?-999 ?-999 ? MG MG A 184 mALA~A 25 13.26 19.47 81.78 13.51 20.30 81.27 12.54 17.21 81.14 11.92 16.25 81.61 12.11 18.64 81.46 11.33 19.24 80.30 2 0 16.29-999 ?-999 ?-999 ? MG MG A 184 mVAL~A 26 13.60 17.06 80.36 14.02 17.90 80.04 14.50 14.97 81.29 14.25 13.78 81.44 14.07 15.72 80.02 15.24 15.78 79.01 3 0 18.70-999 ?-999 ?-999 ? MG MG B 184 mARG~A 27 15.14 15.69 82.22 15.28 16.65 81.97 14.39 14.60 84.29 14.35 13.45 84.71 15.59 15.10 83.48 16.35 16.12 84.33 2 0 18.32-999 ?-999 ?-999 ? MG MG B 184 mSER~A 28 13.43 15.49 84.50 13.60 16.39 84.10 11.46 13.99 84.66 10.97 13.13 85.38 12.22 15.17 85.26 11.31 16.39 85.33 2 0 15.09-999 ?-999 ?-999 ? MG MG B 184 mALA~A 29 11.36 13.96 83.33 11.79 14.73 82.86 11.33 11.55 82.96 10.70 10.61 83.44 10.65 12.88 82.66 10.62 13.12 81.15 2 0 13.59-999 ?-999 ?-999 ? MG MG B 184 mPHE~A 30 12.63 11.46 82.67 13.03 12.29 82.28 13.41 9.84 84.39 13.39 8.65 84.71 13.37 10.23 82.92 14.80 10.34 82.40 3 0 14.93-999 ?-999 ?-999 ? MG MG B 184 mSER~A 31 13.47 10.81 85.28 13.49 11.74 84.90 12.16 9.96 87.15 12.09 9.15 88.07 13.52 10.50 86.70 13.89 11.73 87.53 2 0 14.10-999 ?-999 ?-999 ? MG MG B 184 mTHR~A 32 11.10 10.40 86.49 11.30 11.04 85.75 9.51 8.52 86.37 8.98 7.70 87.11 9.76 9.95 86.84 8.68 10.85 86.22 2 0 10.36-999 ?-999 ?-999 ? MG MG B 184 mVAL~A 33 9.89 8.24 85.13 10.32 9.00 84.64 10.70 5.91 85.14 10.39 4.74 85.30 9.70 6.91 84.56 9.81 6.98 83.03 3 0 10.57-999 ?-999 ?-999 ? MG MG B 184 mPHE~A 34 11.89 6.40 85.47 12.00 7.38 85.29 13.36 6.19 87.40 14.35 6.91 87.48 12.94 5.57 86.06 14.14 5.49 85.12 3 0 13.30-999 ?-999 ?-999 ? MG MG B 184 mPRO.A 35 12.60 5.90 88.47 11.83 5.29 88.26 14.29 6.16 90.30 14.82 6.92 91.11 12.86 6.42 89.81 11.81 5.73 90.67 3 0 12.92-999 ?-999 ?-999 ? MG MG B 184 mASP.A 36 14.89 5.09 89.80 14.33 4.56 89.15 17.23 4.97 89.02 17.21 6.03 88.40 16.25 4.73 90.17 16.31 3.26 90.61 2 0 16.48-999 ?-999 ?-999 ? MG MG B 184 mGLN.A 37 18.08 3.98 88.74 17.97 3.18 89.32 19.91 5.37 87.82 19.77 6.10 88.81 19.07 4.10 87.68 18.39 4.07 86.31 2 0 19.33-999 ?-999 ?-999 ? MG MG B 184 mGLU.A 38 20.76 5.64 86.84 20.77 4.98 86.09 22.34 7.13 85.59 22.98 6.26 84.99 21.61 6.82 86.90 22.62 6.67 88.05 2 0 21.69-999 ?-999 ?-999 ? MG MG B 184 mTRP^A 39 22.22 8.38 85.15 21.66 8.96 85.74 23.07 10.36 83.99 22.46 11.04 84.81 22.86 8.85 83.93 22.01 8.50 82.70 3 0 23.43-999 ?-999 ?-999 ? MG MG B 184 mGLU^A 40 23.95 10.86 83.14 24.39 10.19 82.54 23.59 12.93 81.89 23.79 12.48 80.75 24.24 12.29 83.10 25.75 12.53 83.02 2 0 25.44-999 ?-999 ?-999 ? MG MG B 184 mPHE^A 41 22.80 13.98 82.13 22.73 14.23 83.09 22.99 15.83 80.56 23.44 16.66 81.35 22.12 14.68 81.05 20.77 15.23 81.54 3 0 24.64-999 ?-999 ?-999 ? MG MG B 184 mILE^A 42 23.21 15.89 79.25 22.76 15.17 78.72 23.31 17.70 77.56 22.83 17.10 76.60 24.04 16.94 78.67 25.33 16.34 78.08 3 0 27.85-999 ?-999 ?-999 ? MG MG A 184 mGLY^A 43 23.22 19.01 77.70 23.64 19.39 78.53 23.49 20.23 75.58 24.43 20.99 75.82 22.54 19.81 76.69-999.99-999.99-999.99 1 0 26.49-999 ?-999 ?-999 ? MG MG A 184 mVAL.A 44 23.26 19.73 74.37 22.47 19.13 74.32 23.41 20.93 72.22 22.19 20.91 72.12 24.13 20.04 73.24 24.59 18.76 72.51 3 0 29.46-999 ?-999 ?-999 ? MG MG A 184 mSER.A 45 24.18 21.71 71.46 25.16 21.64 71.64 23.84 22.10 69.05 24.97 22.14 68.57 23.58 22.58 70.47 24.10 24.01 70.64 2 0 30.13-999 ?-999 ?-999 ? MG MG A 184 mVAL.A 46 22.79 21.62 68.38 21.94 21.64 68.91 21.78 21.75 66.16 20.72 22.09 66.67 22.89 21.13 67.01 22.75 19.59 66.94 3 0 32.07-999 ?-999 ?-999 ? MG MG A 184 mPRO.A 47 22.02 21.92 64.85 22.93 21.61 64.55 19.87 21.58 63.61 20.04 20.36 63.56 21.03 22.51 63.95 21.86 22.87 62.72 3 0 32.80-999 ?-999 ?-999 ? MG MG A 184 mSER.A 48 18.71 22.17 63.38 18.75 23.17 63.45 17.38 21.31 61.54 16.69 20.42 61.03 17.50 21.43 63.05 16.28 22.19 63.56 2 0 31.55-999 ?-999 ?-999 ? MG MG A 184 mGLU.A 49 18.03 22.22 60.83 18.53 22.89 61.38 16.65 22.59 58.80 16.41 22.42 57.60 18.01 22.22 59.38 18.47 20.86 58.84 2 0 34.76-999 ?-999 ?-999 ? MG MG A 184 mVAL.A 50 15.75 23.10 59.64 16.05 23.14 60.60 14.31 25.00 59.59 15.24 25.55 60.17 14.44 23.54 59.17 13.26 22.70 59.74 3 0 33.09-999 ?-999 ?-999 ? MG MG A 184 mALA.A 51 13.19 25.64 59.29 12.51 25.09 58.81 13.21 27.24 61.16 12.81 26.38 61.95 13.03 27.04 59.65 11.67 27.54 59.21 2 0 31.90-999 ?-999 ?-999 ? MG MG A 184 mASP.A 52 13.82 28.35 61.56 14.11 28.96 60.82 12.68 28.51 63.69 12.61 28.15 64.86 14.01 28.62 62.98 14.61 30.01 63.19 2 0 29.41-999 ?-999 ?-999 ? MG MG A 184 mGLN.A 53 11.61 28.83 62.96 11.82 29.13 62.03 9.46 27.85 62.55 8.92 28.33 61.55 10.27 28.74 63.50 9.63 30.13 63.60 2 0 27.34-999 ?-999 ?-999 ? MG MG A 184 mPRO.A 54 9.39 26.54 62.84 9.88 26.26 63.66 7.18 26.06 61.85 6.56 26.47 62.83 8.63 25.62 61.98 8.77 24.28 62.71 3 0 28.16-999 ?-999 ?-999 ? MG MG A 184 mMETA 55 6.64 25.95 60.64 7.25 25.56 59.95 4.27 25.28 60.05 3.18 25.56 59.56 5.28 26.38 60.35 5.29 27.38 59.19 2 0 28.90-999 ?-999 ?-999 ? MG MG A 184 mSER~A 56 4.63 24.04 60.31 5.56 23.93 60.65 4.07 21.86 61.11 5.18 21.85 61.65 3.69 22.94 60.12 3.72 22.40 58.68 2 0 29.13-999 ?-999 ?-999 ? MG MG A 184 mASP~A 57 3.13 20.97 61.37 2.27 21.12 60.88 4.46 19.01 61.70 5.39 18.63 62.40 3.34 19.87 62.28 2.04 19.05 62.40 2 0 27.56-999 ?-999 ?-999 ? MG MG A 184 mGLU~A 58 4.38 18.75 60.41 3.58 19.15 59.96 6.79 18.50 59.81 7.74 17.77 60.12 5.37 17.94 59.71 4.97 17.80 58.24 2 0 30.83-999 ?-999 ?-999 ? MG MG A 184 mGLU~A 59 6.94 19.79 59.53 6.10 20.26 59.28 8.80 20.44 61.02 10.00 20.28 61.25 8.26 20.43 59.59 8.18 21.86 59.04 2 0 30.96-999 ?-999 ?-999 ? MG MG A 184 mTHR~A 60 7.91 20.64 61.99 6.96 20.78 61.68 8.88 19.27 63.75 9.92 19.17 64.39 8.33 20.65 63.38 7.18 21.02 64.33 2 0 27.40-999 ?-999 ?-999 ? MG MG A 184 mLYS~A 61 8.18 18.21 63.35 7.35 18.41 62.84 10.00 16.60 63.01 10.90 16.01 63.61 8.65 16.87 63.68 7.63 15.82 63.23 2 0 28.29-999 ?-999 ?-999 ? MG MG B 184 mGLN~A 62 10.16 17.05 61.77 9.36 17.53 61.40 12.57 17.57 61.72 13.69 17.04 61.78 11.40 16.86 61.03 11.23 17.37 59.59 2 0 31.55-999 ?-999 ?-999 ? MG MG B 184 mGLY~A 63 12.31 18.76 62.24 11.37 19.09 62.12 13.81 18.76 64.16 15.02 18.70 64.46 13.35 19.51 62.93-999.99-999.99-999.99 1 0 29.96-999 ?-999 ?-999 ? MG MG A 184 mALA~A 64 12.86 18.17 64.89 11.93 18.31 64.55 14.00 16.16 65.67 15.01 15.84 66.30 13.19 17.40 66.08 11.91 17.00 66.82 2 0 27.85-999 ?-999 ?-999 ? MG MG A 184 mLEU~A 65 13.56 15.46 64.62 12.74 15.82 64.19 15.72 14.58 63.71 16.66 13.82 64.00 14.29 14.27 64.16 13.52 13.59 63.02 3 0 29.35-999 ?-999 ?-999 ? MG MG B 184 mASN~A 66 15.89 15.69 63.00 15.05 16.20 62.83 18.19 16.42 63.66 19.35 16.01 63.63 17.22 16.11 62.53 17.10 17.35 61.63 2 0 32.66-999 ?-999 ?-999 ? MG MG B 184 mARG~A 67 17.73 17.17 64.67 16.77 17.46 64.58 19.05 16.23 66.49 20.21 16.14 66.90 18.58 17.50 65.79 17.86 18.40 66.80 2 0 30.95-999 ?-999 ?-999 ? MG MG A 184 mVAL~A 68 18.16 15.27 66.64 17.25 15.47 66.28 19.55 13.28 66.46 20.57 12.81 66.98 18.52 14.01 67.29 17.29 13.10 67.49 3 0 29.20-999 ?-999 ?-999 ? MG MG B 184 mARG~A 69 19.29 13.17 65.16 18.42 13.59 64.87 21.58 13.17 64.26 22.61 12.49 64.25 20.20 12.50 64.25 19.63 12.48 62.83 2 0 32.23-999 ?-999 ?-999 ? MG MG B 184 mASN~A 70 21.60 14.50 64.28 20.70 14.94 64.29 23.57 15.04 65.65 24.79 14.91 65.71 22.87 15.22 64.30 22.68 16.71 64.03 2 0 34.47-999 ?-999 ?-999 ? MG MG B 184 mALA~A 71 22.79 15.03 66.72 21.81 15.15 66.54 24.01 13.48 68.17 25.00 13.32 68.88 23.36 14.86 68.05 22.28 15.03 69.11 2 0 32.18-999 ?-999 ?-999 ? MG MG B 184 mLYS~A 72 23.44 12.50 67.48 22.64 12.77 66.95 25.34 11.05 66.82 26.21 10.27 67.24 23.98 11.13 67.50 23.03 10.15 66.80 2 0 32.31-999 ?-999 ?-999 ? MG MG B 184 mGLN~A 73 25.52 11.85 65.78 24.74 12.43 65.55 27.77 12.76 65.77 28.97 12.47 65.82 26.77 11.86 65.05 26.53 12.34 63.61 2 0 36.09-999 ?-999 ?-999 ? MG MG B 184 mARG~A 74 27.28 13.86 66.33 26.29 13.97 66.22 28.66 14.25 68.36 29.83 14.47 68.70 28.13 14.80 67.05 27.35 16.09 67.33 2 0 36.37-999 ?-999 ?-999 ? MG MG B 184 mHIS~A 75 27.82 13.55 69.11 26.90 13.44 68.72 27.79 11.55 70.58 26.89 11.27 71.37 28.23 12.99 70.39 27.68 13.85 71.53 3 0 34.21-999 ?-999 ?-999 ? MG MG B 184 mPRO.A 76 28.41 10.61 69.86 29.12 10.98 69.25 28.43 8.61 71.31 29.21 9.19 72.06 28.11 9.18 69.93 29.01 8.57 68.86 3 0 33.90-999 ?-999 ?-999 ? MG MG B 184 mGLY.A 77 27.84 7.46 71.63 27.22 7.09 70.93 27.00 6.94 73.94 26.89 6.06 74.79 28.11 6.84 72.91-999.99-999.99-999.99 1 0 32.28-999 ?-999 ?-999 ? MG MG B 184 mALA.A 78 26.19 8.00 73.87 26.41 8.64 73.14 24.07 7.05 74.69 23.93 6.45 73.63 25.09 8.18 74.82 24.42 9.52 74.59 2 0 28.73-999 ?-999 ?-999 ? MG MG B 184 mGLU.A 79 23.36 6.78 75.78 23.56 7.35 76.57 21.01 6.23 75.25 20.20 5.45 74.76 22.35 5.72 75.77 22.16 5.16 77.18 2 0 25.89-999 ?-999 ?-999 ? MG MG B 184 mTYR^A 80 20.79 7.53 75.36 21.54 8.04 75.79 19.79 9.52 74.29 20.63 10.29 74.76 19.55 8.15 74.91 18.56 8.32 76.07 3 0 23.98-999 ?-999 ?-999 ? MG MG B 184 mTYR^A 81 19.06 9.82 73.21 18.45 9.08 72.92 17.74 11.65 72.49 16.81 10.95 72.08 19.16 11.10 72.54 19.74 10.95 71.14 3 0 25.43-999 ?-999 ?-999 ? MG MG B 184 mVAL^A 82 17.56 12.90 72.90 18.40 13.38 73.18 16.10 14.82 72.19 16.92 15.72 72.35 16.23 13.50 72.93 15.75 13.69 74.40 3 0 23.57-999 ?-999 ?-999 ? MG MG B 184 mGLY^A 83 15.07 14.89 71.36 14.52 14.05 71.31 13.48 16.67 71.13 12.52 15.95 71.39 14.77 16.08 70.60-999.99-999.99-999.99 1 0 25.10-999 ?-999 ?-999 ? MG MG B 184 mLEU^A 84 13.45 17.99 71.31 14.30 18.45 71.05 12.14 19.96 71.00 12.83 20.95 71.25 12.28 18.68 71.82 12.49 18.99 73.30 3 0 22.42-999 ?-999 ?-999 ? MG MG A 184 mGLU^A 85 11.25 19.93 70.00 10.73 19.08 69.94 9.64 21.62 69.06 8.69 20.91 68.73 11.06 21.07 69.10 11.49 20.64 67.68 2 0 23.26-999 ?-999 ?-999 ? MG MG A 184 mALA^A 86 9.49 22.90 69.39 10.34 23.36 69.64 7.93 24.04 67.95 8.86 24.24 67.17 8.19 23.54 69.37 8.15 24.71 70.36 2 0 21.29-999 ?-999 ?-999 ? MG MG A 184 mGLY^A 87 6.66 24.25 67.62 5.99 24.05 68.33 4.88 25.18 66.24 4.16 25.11 67.23 6.33 24.74 66.29-999.99-999.99-999.99 1 0 23.43-999 ?-999 ?-999 ? MG MG A 184 mILE^A 88 4.45 25.68 65.09 5.12 25.75 64.35 2.55 25.73 63.60 3.33 25.43 62.70 3.06 26.07 64.98 2.82 27.59 65.25 3 0 23.99-999 ?-999 ?-999 ? MG MG A 184 mGLU^A 89 1.23 25.72 63.48 0.74 25.91 64.33 -0.75 26.19 62.29 -1.58 25.92 63.17 0.57 25.45 62.21 0.32 23.96 62.00 2 0 26.59-999 ?-999 ?-999 ? MG MG A 184 mGLU.A 90 -0.94 27.13 61.38 -0.20 27.23 60.72 -2.19 28.76 62.64 -1.36 29.65 62.85 -2.15 27.94 61.35 -3.40 27.05 61.26 2 0 26.04-999 ?-999 ?-999 ? MG MG B 185 mASN.A 91 -3.13 28.46 63.52 -3.73 27.70 63.25 -2.96 28.35 65.99 -3.31 28.72 67.11 -3.26 29.21 64.76 -4.67 29.80 64.86 2 0 24.34-999 ?-999 ?-999 ? MG MG A 184 mLYS^A 92 -2.33 27.20 65.77 -2.09 27.04 64.81 -0.52 26.14 67.13 0.29 26.20 66.21 -2.02 26.28 66.86 -2.57 24.90 66.53 2 0 22.00-999 ?-999 ?-999 ? MG MG A 184 mTHR^A 93 -0.15 25.95 68.39 -0.89 25.97 69.06 1.35 24.39 69.46 0.38 23.91 70.06 1.24 25.74 68.73 1.81 26.89 69.59 2 0 20.10-999 ?-999 ?-999 ? MG MG A 184 mPHE^A 94 2.53 23.78 69.39 3.23 24.29 68.90 4.22 22.16 69.89 4.98 22.89 69.24 2.74 22.48 70.00 1.94 21.44 69.22 3 0 19.43-999 ?-999 ?-999 ? MG MG A 184 mALA^A 95 4.64 21.07 70.51 3.93 20.56 71.00 6.16 19.18 70.22 5.37 18.38 70.73 6.03 20.67 70.46 6.73 21.06 71.74 2 0 20.20-999 ?-999 ?-999 ? MG MG A 184 mTRP^A 96 7.14 18.80 69.41 7.68 19.56 69.04 8.50 16.88 70.04 9.52 17.55 70.24 7.40 17.40 69.12 7.82 17.22 67.66 3 0 22.96-999 ?-999 ?-999 ? MG MG A 184 mMETA 97 8.28 15.70 70.61 7.38 15.31 70.40 9.72 13.79 70.76 8.89 12.99 70.31 9.26 15.06 71.47 8.66 14.70 72.84 2 0 21.19-999 ?-999 ?-999 ? MG MG B 184 mILE^A 98 11.02 13.60 70.65 11.58 14.34 71.04 12.69 11.88 70.90 13.61 12.60 71.27 11.58 12.42 70.01 12.19 12.74 68.61 3 0 22.69-999 ?-999 ?-999 ? MG MG B 184 mVAL^A 99 12.58 10.61 71.28 11.75 10.15 70.96 14.16 8.80 71.29 13.40 7.95 70.81 13.61 9.98 72.09 13.06 9.44 73.44 3 0 21.72-999 ?-999 ?-999 ? MG MG B 184 mGLU^A 100 15.47 8.76 71.14 15.97 9.51 71.57 17.24 7.01 71.17 18.01 7.67 71.86 16.11 7.69 70.39 16.66 8.22 69.07 2 0 24.44-999 ?-999 ?-999 ? MG MG B 184 mSER.A 101 17.29 5.69 71.05 16.56 5.30 70.50 19.19 4.39 70.53 19.33 5.08 69.52 18.34 4.90 71.69 17.73 3.71 72.45 2 0 25.15-999 ?-999 ?-999 ? MG MG B 184 mASP.A 102 19.74 3.19 70.68 19.54 2.75 71.55 19.85 1.46 68.93 20.42 0.77 68.09 20.57 2.60 69.63 21.89 2.09 70.22 2 0 28.45-999 ?-999 ?-999 ? MG MG B 184 mGLN.A 103 18.58 1.25 69.29 18.24 1.90 69.98 16.40 0.63 68.29 15.85 0.13 67.30 17.79 0.18 68.72 17.67 -0.97 69.73 2 0 27.67-999 ?-999 ?-999 ? MG MG B 184 mGLN.A 104 15.82 1.58 69.01 16.36 1.93 69.78 14.21 3.54 68.93 15.02 4.24 69.54 14.48 2.06 68.67 13.43 1.21 69.39 2 0 25.27-999 ?-999 ?-999 ? MG MG B 184 mARG^A 105 13.06 4.01 68.45 12.50 3.32 67.99 11.28 5.60 69.20 10.33 4.93 68.81 12.67 5.41 68.60 12.71 6.10 67.24 2 0 23.87-999 ?-999 ?-999 ? MG MG B 184 mGLY^A 106 11.19 6.51 70.16 12.05 6.95 70.41 9.55 8.24 70.41 10.44 9.08 70.22 9.92 6.82 70.78-999.99-999.99-999.99 1 0 20.53-999 ?-999 ?-999 ? MG MG B 184 mGLU^A 107 8.27 8.54 70.29 7.63 7.78 70.46 6.45 10.23 70.37 5.61 9.35 70.57 7.86 9.89 69.92 7.97 10.07 68.40 2 0 20.62-999 ?-999 ?-999 ? MG MG B 184 mSER^A 108 6.20 11.52 70.52 6.98 12.11 70.31 4.89 13.53 70.71 5.90 14.21 70.90 4.91 12.04 70.95 4.71 11.79 72.44 2 0 19.14-999 ?-999 ?-999 ? MG MG B 184 mARG^A 109 3.73 14.04 70.30 3.01 13.37 70.15 2.67 15.95 71.24 1.63 15.35 71.50 3.58 15.48 70.10 2.90 15.77 68.76 2 0 20.79-999 ?-999 ?-999 ? MG MG B 184 mSER.A 110 3.06 17.03 71.91 3.92 17.43 71.58 0.90 18.02 72.60 0.63 18.21 71.40 2.29 17.56 73.02 3.02 18.74 73.64 2 0 18.36-999 ?-999 ?-999 ? MG MG A 184 mALA.A 111 0.02 18.22 73.58 0.35 18.00 74.50 -1.13 20.10 72.65 -0.21 20.84 73.01 -1.32 18.72 73.29 -2.13 18.84 74.58 2 0 17.48-999 ?-999 ?-999 ? MG MG A 184 mCYH.A 112 -1.98 20.45 71.70 -2.69 19.79 71.48 -2.71 22.82 71.69 -3.73 22.53 72.32 -1.83 21.75 71.05 -2.15 21.65 69.55 2 0 18.49-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 113 -2.30 24.07 71.50 -1.47 24.14 70.94 -3.25 26.29 70.98 -2.44 26.51 70.08 -2.98 25.23 72.04 -2.13 25.81 73.18 3 0 17.05-999 ?-999 ?-999 ? MG MG A 184 mMETA 114 -4.40 26.95 71.09 -4.97 26.66 71.86 -4.15 29.33 70.54 -4.33 29.80 71.67 -4.78 28.01 70.15 -6.29 28.23 70.16 2 0 19.26-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 115 -3.42 29.95 69.62 -3.34 29.46 68.75 -3.76 32.38 69.60 -4.64 32.25 68.75 -2.79 31.24 69.90 -1.53 31.40 69.06 3 0 19.59-999 ?-999 ?-999 ? MG MG A 184 mPRO^A 116 -3.62 33.52 70.30 -2.88 33.53 70.98 -4.31 35.15 68.60 -3.18 35.21 68.12 -4.52 34.65 70.04 -4.08 35.69 71.07 3 0 20.83-999 ?-999 ?-999 ? MG MG A 184 mPRO^A 117 -5.40 35.51 67.91 -6.26 35.43 68.41 -4.27 37.12 66.39 -3.56 37.21 65.38 -5.29 36.00 66.53 -6.72 36.46 66.22 3 0 24.66-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 118 -4.19 37.98 67.40 -4.82 37.79 68.15 -1.83 38.56 67.32 -0.94 39.22 66.79 -3.26 39.10 67.39 -3.44 39.95 68.65 3 0 24.91-999 ?-999 ?-999 ? MG MG A 184 mVAL^A 119 -1.63 37.36 67.85 -2.45 36.93 68.24 0.00 36.16 66.47 1.10 36.36 65.94 -0.31 36.74 67.84 -0.21 35.62 68.91 3 0 23.19-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 120 -0.96 35.45 65.88 -1.80 35.36 66.40 -0.53 35.97 63.52 0.12 35.76 62.50 -0.75 34.87 64.55 -1.95 34.02 64.13 3 0 25.56-999 ?-999 ?-999 ? MG MG A 184 mGLU^A 121 -1.08 37.15 63.80 -1.59 37.17 64.66 0.52 38.62 62.71 1.04 38.56 61.60 -0.95 38.29 62.90 -1.68 39.51 63.49 2 0 28.34-999 ?-999 ?-999 ? MG MG A 184 mARG^A 122 1.19 38.96 63.81 0.64 38.95 64.64 3.48 38.14 63.38 3.70 37.89 62.19 2.60 39.32 63.77 3.03 39.87 65.13 2 0 28.11-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 123 3.98 37.41 64.37 3.71 37.72 65.28 6.09 36.67 63.35 6.78 35.83 62.76 4.84 36.26 64.12 4.09 35.19 63.33 3 0 26.86-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 129 9.13 34.00 64.73 9.06 33.25 64.07 8.25 34.89 66.85 7.37 35.72 67.08 9.23 35.09 65.70 8.94 36.43 65.01 3 0 26.21-999 ?-999 ?-999 ? MG MG A 184 mGLY^A 130 8.41 33.78 67.57 9.15 33.18 67.27 7.80 34.41 69.86 7.32 34.17 70.97 7.53 33.49 68.69-999.99-999.99-999.99 1 0 22.48-999 ?-999 ?-999 ? MG MG A 184 mASP^A 131 8.56 35.47 69.62 8.87 35.53 68.67 7.91 37.59 70.69 8.12 38.59 71.37 8.91 36.44 70.65 10.32 36.99 70.39 2 0 22.40-999 ?-999 ?-999 ? MG MG A 184 mVAL^A 132 6.82 37.44 69.93 6.80 36.60 69.40 5.03 38.25 71.22 4.41 39.17 71.76 5.76 38.44 69.91 4.77 38.18 68.75 3 0 22.93-999 ?-999 ?-999 ? MG MG A 184 mMETA 133 5.14 37.03 71.74 5.69 36.41 71.18 5.09 37.49 74.12 4.45 37.69 75.15 4.52 36.64 72.99 4.80 35.16 73.26 2 0 19.17-999 ?-999 ?-999 ? MG MG A 184 mASP^A 134 6.31 37.99 73.92 6.71 37.75 73.03 6.32 40.19 75.06 6.89 41.11 75.63 6.98 38.82 74.91 8.45 39.01 74.54 2 0 19.67-999 ?-999 ?-999 ? MG MG A 184 mGLU^A 135 5.10 40.31 74.54 4.75 39.49 74.09 3.16 41.43 75.56 3.30 41.55 76.77 4.36 41.57 74.62 3.88 42.00 73.24 2 0 20.96-999 ?-999 ?-999 ? MG MG A 184 mVAL^A 136 2.00 41.17 74.97 2.04 41.09 73.98 0.27 39.58 75.72 0.91 38.68 76.27 0.77 41.02 75.74 -0.35 41.94 75.19 3 0 19.35-999 ?-999 ?-999 ? MG MG A 184 mGLU^A 140 9.41 42.49 78.17 10.08 42.92 77.56 8.77 40.38 79.22 8.87 39.63 78.25 8.44 41.86 79.05 7.03 42.03 78.47 2 0 19.86-999 ?-999 ?-999 ? MG MG A 184 mASN^A 141 8.94 39.96 80.47 8.82 40.67 81.17 8.39 37.88 81.79 8.88 37.22 82.71 9.28 38.58 80.76 10.75 38.47 81.17 2 0 17.05-999 ?-999 ?-999 ? MG MG A 184 mILE^A 142 7.08 38.05 81.62 6.83 38.66 80.87 6.14 35.98 81.89 5.70 35.01 82.51 6.12 37.38 82.49 4.68 37.94 82.32 3 0 13.79-999 ?-999 ?-999 ? MG MG A 184 mLYS^A 143 6.67 35.91 80.68 6.99 36.79 80.33 7.37 33.53 80.75 6.98 32.38 80.60 6.78 34.66 79.92 7.63 34.88 78.66 2 0 13.68-999 ?-999 ?-999 ? MG MG A 184 mGLN^A 144 8.34 33.84 81.62 8.65 34.79 81.65 8.02 32.66 83.72 8.45 32.94 84.84 8.87 32.76 82.45 10.37 32.92 82.76 2 0 12.44-999 ?-999 ?-999 ? MG MG A 184 mLYS^A 145 6.77 32.28 83.47 6.61 32.15 82.49 4.86 31.01 83.76 3.66 31.20 83.56 5.73 32.05 84.45 4.91 33.31 84.71 2 0 8.93-999 ?-999 ?-999 ? MG MG A 184 mGLY^A 146 5.51 29.91 83.38 6.48 29.90 83.59 4.75 29.08 81.20 4.14 28.30 80.47 4.82 28.84 82.69-999.99-999.99-999.99 1 0 8.03-999 ?-999 ?-999 ? MG MG A 184 mGLY^A 147 5.38 30.16 80.74 5.85 30.71 81.43 3.98 30.89 78.87 3.13 31.20 79.71 5.37 30.47 79.32-999.99-999.99-999.99 1 0 11.49-999 ?-999 ?-999 ? MG MG A 184 mALA^A 148 3.75 30.89 77.56 4.53 30.62 77.00 1.38 30.37 77.64 0.31 30.84 78.04 2.45 31.26 77.02 2.45 31.11 75.50 2 0 12.83-999 ?-999 ?-999 ? MG MG A 184 mILE^A 149 1.67 29.07 77.71 2.56 28.83 77.34 0.40 28.53 79.73 -0.77 28.62 80.10 0.75 28.11 78.30 1.38 26.69 78.32 3 0 10.58-999 ?-999 ?-999 ? MG MG A 184 mGLY^A 150 1.42 28.82 80.53 2.33 28.73 80.12 0.36 30.50 82.02 -0.53 30.59 82.88 1.19 29.24 81.90-999.99-999.99-999.99 1 0 7.40-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 151 0.61 31.47 81.16 1.33 31.27 80.50 -1.57 32.53 80.73 -2.51 33.05 81.33 -0.14 32.72 81.22 0.57 33.79 80.38 3 0 9.63-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 152 -1.73 31.79 79.64 -0.88 31.41 79.27 -3.99 30.67 79.87 -5.20 30.78 79.74 -3.06 31.56 79.05 -2.91 31.00 77.63 3 0 11.27-999 ?-999 ?-999 ? MG MG A 184 mTHR^A 153 -3.44 29.79 80.70 -2.44 29.79 80.72 -4.34 29.34 82.99 -4.79 28.58 83.83 -4.28 28.91 81.51 -3.79 27.42 81.44 2 0 8.70-999 ?-999 ?-999 ? MG MG A 184 mARG^A 154 -3.90 30.56 83.28 -3.59 31.09 82.49 -3.06 30.13 85.52 -3.40 29.83 86.67 -3.89 31.07 84.66 -5.31 31.17 85.21 2 0 7.13-999 ?-999 ?-999 ? MG MG A 184 mHIS^A 155 -1.97 29.66 84.92 -1.86 29.99 83.98 -1.62 27.44 85.94 -1.03 26.69 86.70 -1.01 28.77 85.55 -0.37 29.46 86.76 3 0 -3.94-999 ?-999 ?-999 ? MG MG A 184s mHIS^A 156 -2.79 27.10 85.41 -3.21 27.77 84.80 -2.56 24.75 85.00 -2.66 23.55 85.25 -3.36 25.80 85.75 -4.84 25.75 85.43 3 0 4.60-999 ?-999 ?-999 ? MG MG A 184 mLEU^A 157 -1.73 25.23 84.08 -1.79 26.22 83.97 0.38 25.23 83.01 0.30 26.45 83.05 -0.84 24.37 83.31 -1.49 23.94 81.98 3 0 6.00-999 ?-999 ?-999 ? MG MG A 184 mTHR^A 158 1.52 24.60 82.76 1.48 23.60 82.83 3.36 24.64 81.23 3.06 23.47 80.97 2.71 25.36 82.40 3.77 25.44 83.53 2 0 7.05-999 ?-999 ?-999 ? MG MG A 184 mARG^A 159 4.24 25.33 80.52 4.37 26.28 80.81 5.60 23.44 79.94 5.58 22.41 79.29 4.92 24.71 79.40 5.97 25.66 78.83 2 0 10.76-999 ?-999 ?-999 ? MG MG A 184 mSER^A 160 6.17 23.53 81.14 6.09 24.43 81.57 5.92 21.21 82.04 6.26 20.07 81.71 6.85 22.39 81.75 7.53 22.79 83.07 2 0 10.72-999 ?-999 ?-999 ? MG MG A 184 mTHR^A 161 4.77 21.46 82.65 4.59 22.42 82.87 3.26 19.76 81.68 2.89 18.59 81.65 3.86 20.35 82.95 2.74 20.75 83.96 2 0 9.45-999 ?-999 ?-999 ? MG MG A 184 mVAL^A 162 3.17 20.57 80.64 3.49 21.51 80.80 3.71 19.30 78.63 3.42 18.25 78.05 2.64 20.10 79.37 2.17 21.28 78.49 3 0 11.80-999 ?-999 ?-999 ? MG MG A 184 mTYR^A 163 4.94 19.78 78.67 5.05 20.64 79.16 6.26 17.73 78.72 6.56 16.72 78.08 6.02 19.06 78.00 7.29 19.90 78.00 3 0 14.52-999 ?-999 ?-999 ? MG MG A 184 mHIS^A 164 6.13 17.74 80.05 5.88 18.64 80.42 5.50 15.34 80.42 5.99 14.21 80.41 6.34 16.55 80.87 6.02 16.85 82.34 3 0 13.88-999 ?-999 ?-999 ? MG MG B 184 mGLN^A 165 4.24 15.57 80.07 3.96 16.53 80.12 3.82 13.91 78.28 3.84 12.70 78.08 3.39 14.47 79.64 1.93 14.91 79.58 2 0 12.24-999 ?-999 ?-999 ? MG MG B 184 mALA^A 166 4.15 14.81 77.36 4.08 15.76 77.66 5.89 13.59 76.12 6.08 12.62 75.37 4.59 14.40 76.03 4.81 15.64 75.14 2 0 15.40-999 ?-999 ?-999 ? MG MG B 184 mLEU^A 167 6.77 13.99 77.02 6.48 14.78 77.55 7.84 11.88 77.72 8.50 10.94 77.26 8.04 13.29 77.20 8.95 14.09 78.14 3 0 15.41-999 ?-999 ?-999 ? MG MG B 184 mILE^A 168 6.92 11.72 78.67 6.47 12.56 78.96 6.05 9.50 78.14 6.43 8.33 78.01 6.62 10.40 79.23 5.58 10.48 80.38 3 0 12.08-999 ?-999 ?-999 ? MG MG B 184 mLEU^A 169 5.14 10.05 77.35 4.93 11.00 77.57 5.55 8.89 75.22 5.43 7.82 74.62 4.52 9.31 76.26 3.44 10.15 75.59 3 0 13.49-999 ?-999 ?-999 ? MG MG B 184 mALA^A 170 6.55 9.73 75.02 6.53 10.57 75.56 8.44 8.24 74.55 9.09 7.56 73.76 7.58 9.41 74.05 8.45 10.63 73.79 2 0 16.72-999 ?-999 ?-999 ? MG MG B 184 mLEU^A 171 8.42 8.00 75.86 7.83 8.61 76.39 8.55 5.55 76.39 9.17 4.54 76.75 9.22 6.92 76.43 9.61 7.27 77.88 3 0 15.40-999 ?-999 ?-999 ? MG MG B 184 mILE^A 172 7.30 5.51 75.94 6.95 6.41 75.67 7.24 3.07 75.28 7.22 1.99 75.88 6.52 4.28 75.86 5.22 4.52 75.03 3 0 14.72-999 ?-999 ?-999 ? MG MG B 184 mPRO^A 173 7.89 3.22 74.12 7.85 4.13 73.70 9.65 1.49 74.49 9.82 0.27 74.57 8.60 2.06 73.54 9.21 2.64 72.27 3 0 18.18-999 ?-999 ?-999 ? MG MG B 184 mPHE^A 174 10.33 2.37 75.21 10.06 3.32 75.07 10.86 1.41 77.44 11.60 0.81 78.21 11.39 1.96 76.12 12.31 3.14 76.37 3 0 17.76-999 ?-999 ?-999 ? MG MG B 184 mILE^A 175 9.57 1.63 77.70 9.09 2.14 76.98 8.32 -0.24 78.68 8.17 -1.02 79.61 8.93 1.15 78.92 7.77 2.11 79.37 3 0 14.55-999 ?-999 ?-999 ? MG MG B 184 mASN^A 176 8.00 -0.52 77.42 8.22 0.20 76.77 8.12 -2.47 75.88 7.57 -2.67 74.80 7.36 -1.78 77.03 5.93 -1.49 76.59 2 0 16.43-999 ?-999 ?-999 ? MG MG B 184 mPRO^A 177 9.38 -2.85 76.12 9.71 -2.64 77.04 9.50 -4.70 74.42 9.68 -4.94 73.23 10.20 -3.52 75.09 11.44 -3.96 75.87 3 0 20.07-999 ?-999 ?-999 ? MG MG B 184 mGLU^A 178 8.71 -5.43 75.20 8.66 -5.11 76.14 6.97 -6.25 73.64 6.80 -6.97 72.66 7.99 -6.61 74.71 7.26 -7.31 75.86 2 0 21.16-999 ?-999 ?-999 ? MG MG B 184 mHIS^A 179 6.28 -5.14 73.85 6.52 -4.64 74.68 5.77 -3.77 71.83 5.03 -3.40 70.92 5.25 -4.71 72.91 4.11 -4.05 73.66 3 0 20.43-999 ?-999 ?-999 ? MG MG B 184 mTYR^A 180 7.04 -3.38 71.94 7.52 -3.75 72.74 9.04 -2.97 70.55 10.04 -2.65 71.18 7.65 -2.48 70.98 7.77 -1.06 71.56 3 0 21.58-999 ?-999 ?-999 ? MG MG B 184 mPRO^A 181 9.10 -3.76 69.46 8.21 -3.94 69.04 11.23 -3.23 68.29 10.91 -2.05 68.33 10.36 -4.30 68.94 9.89 -5.34 67.93 3 0 25.09-999 ?-999 ?-999 ? MG MG B 184 mSER^A 182 12.33 -3.66 67.67 12.47 -4.65 67.71 12.94 -2.68 65.51 13.83 -3.01 64.70 13.24 -2.74 67.00 14.69 -3.18 67.22 2 0 27.29-999 ?-999 ?-999 ? MG MG B 184 mMETB 10 -28.98 28.34 87.88 -29.88 28.77 87.98 -27.43 27.18 86.32 -28.04 26.18 85.93 -27.64 27.71 87.73 -27.48 26.56 88.73 2 0 27.19-999 ?-999 ?-999 ? MG MG B 185 mARG^B 11 -26.58 27.85 85.55 -26.16 28.64 86.00 -25.80 26.00 84.16 -25.21 25.53 85.13 -26.28 27.45 84.18 -25.18 28.35 83.60 2 0 23.81-999 ?-999 ?-999 ? MG MG B 185 mLYS^B 12 -26.04 25.31 83.05 -26.54 25.80 82.34 -24.69 23.70 81.74 -24.66 24.50 80.81 -25.60 23.92 82.93 -26.81 22.98 82.85 2 0 21.24-999 ?-999 ?-999 ? MG MG B 185 mILE^B 13 -23.95 22.60 81.78 -24.08 22.04 82.60 -23.38 20.89 80.16 -23.55 19.93 80.92 -23.03 22.26 80.71 -21.58 22.25 81.22 3 0 18.77-999 ?-999 ?-999 ? MG MG B 185 mILE^B 14 -23.52 20.81 78.85 -23.37 21.67 78.36 -22.60 18.86 77.67 -21.78 19.47 76.98 -23.86 19.55 78.19 -24.82 19.79 77.00 3 0 15.59-999 ?-999 ?-999 ? MG MG B 185 mILE^B 15 -22.46 17.59 78.02 -23.19 17.24 78.60 -21.80 15.84 76.50 -22.71 15.05 76.73 -21.32 16.80 77.58 -20.74 15.96 78.74 3 0 15.21-999 ?-999 ?-999 ? MG MG B 185 mALA^B 16 -21.20 15.93 75.32 -20.48 16.61 75.27 -21.17 13.62 74.43 -20.58 12.98 73.56 -21.58 15.07 74.20 -20.97 15.59 72.91 2 0 12.02-999 ?-999 ?-999 ? MG MG B 185 mSER^B 17 -21.49 13.10 75.62 -21.96 13.74 76.22 -21.83 11.36 77.31 -22.04 12.23 78.17 -21.17 11.73 75.98 -19.66 11.55 76.10 2 0 14.59-999 ?-999 ?-999 ? MG MG B 185 mGLN^B 18 -22.16 10.09 77.48 -21.94 9.50 76.69 -21.75 8.81 79.53 -22.05 8.31 80.61 -22.77 9.60 78.71 -23.98 8.72 78.40 2 0 17.47-999 ?-999 ?-999 ? MG MG B 185 mASN^B 19 -20.54 8.71 79.00 -20.42 9.15 78.11 -19.15 8.77 80.96 -18.81 9.95 80.90 -19.48 8.00 79.69 -18.24 7.90 78.80 2 0 19.79-999 ?-999 ?-999 ? MG MG B 185 mPRO^B 20 -19.24 8.12 82.14 -19.53 7.17 82.07 -17.53 9.35 83.47 -17.29 10.40 84.07 -18.94 8.80 83.40 -19.20 7.70 84.44 3 0 19.76-999 ?-999 ?-999 ? MG MG B 184 mALA^B 21 -16.59 8.65 82.84 -16.94 7.82 82.39 -15.00 10.38 82.09 -14.23 11.24 82.53 -15.19 9.06 82.82 -14.35 7.97 82.17 2 0 16.43-999 ?-999 ?-999 ? MG MG B 184 mLYS^B 22 -15.70 10.55 80.97 -16.29 9.78 80.72 -16.29 12.92 80.91 -15.77 14.04 80.95 -15.60 11.78 80.20 -16.20 11.59 78.81 2 0 18.41-999 ?-999 ?-999 ? MG MG B 184 mVAL^B 23 -17.45 12.65 81.48 -17.76 11.70 81.39 -17.41 14.19 83.40 -17.41 15.38 83.69 -18.19 13.69 82.19 -19.56 13.18 82.67 3 0 20.45-999 ?-999 ?-999 ? MG MG B 184 mASN^B 24 -16.73 13.28 84.09 -16.80 12.34 83.74 -14.76 14.54 84.87 -14.48 15.52 85.54 -15.94 13.65 85.26 -15.42 12.39 85.98 2 0 17.60-999 ?-999 ?-999 ? MG MG B 184 mALA^B 25 -14.09 14.18 83.78 -14.43 13.35 83.33 -13.35 16.39 82.99 -12.62 17.33 83.28 -12.94 14.96 83.30 -12.34 14.31 82.06 2 0 16.12-999 ?-999 ?-999 ? MG MG B 184 mVAL^B 26 -14.52 16.55 82.38 -15.01 15.70 82.17 -15.32 18.61 83.35 -15.05 19.81 83.49 -15.03 17.87 82.05 -16.31 17.77 81.21 3 0 18.69-999 ?-999 ?-999 ? MG MG A 184 mARG^B 27 -15.87 17.88 84.32 -16.04 16.92 84.07 -14.91 18.95 86.28 -14.84 20.08 86.76 -16.18 18.45 85.62 -16.86 17.41 86.51 2 0 18.45-999 ?-999 ?-999 ? MG MG A 184 mSER^B 28 -13.89 18.09 86.29 -14.09 17.21 85.86 -11.92 19.59 86.19 -11.33 20.45 86.84 -12.61 18.42 86.89 -11.69 17.20 86.87 2 0 15.21-999 ?-999 ?-999 ? MG MG A 184 mALA^B 29 -12.00 19.63 84.86 -12.51 18.88 84.45 -12.07 22.05 84.39 -11.41 23.07 84.54 -11.38 20.71 84.11 -11.39 20.40 82.61 2 0 13.68-999 ?-999 ?-999 ? MG MG A 184 mPHE^B 30 -13.39 22.04 84.45 -13.83 21.16 84.31 -13.95 23.74 86.16 -13.86 24.94 86.43 -14.10 23.28 84.71 -15.59 23.15 84.37 3 0 15.07-999 ?-999 ?-999 ? MG MG A 184 mSER^B 31 -13.90 22.81 87.10 -13.96 21.86 86.77 -12.35 23.75 88.75 -12.16 24.63 89.58 -13.75 23.20 88.50 -14.02 22.01 89.43 2 0 14.20-999 ?-999 ?-999 ? MG MG A 184 mTHR^B 32 -11.37 23.23 88.01 -11.66 22.51 87.38 -9.84 25.12 87.65 -9.27 25.97 88.32 -9.99 23.68 88.16 -8.99 22.81 87.33 2 0 10.46-999 ?-999 ?-999 ? MG MG A 184 mVAL^B 33 -10.35 25.37 86.45 -10.80 24.58 86.03 -11.25 27.73 86.33 -10.92 28.91 86.43 -10.26 26.68 85.81 -10.45 26.55 84.27 3 0 10.68-999 ?-999 ?-999 ? MG MG A 184 mPHE^B 34 -12.47 27.30 86.66 -12.61 26.32 86.54 -13.98 27.75 88.52 -15.12 27.32 88.68 -13.49 28.22 87.16 -14.67 28.27 86.19 3 0 13.67-999 ?-999 ?-999 ? MG MG A 184 mPRO^B 35 -13.11 27.84 89.54 -12.21 28.21 89.29 -14.44 28.36 91.59 -14.98 28.02 92.64 -13.47 27.41 90.89 -12.11 27.35 91.59 3 0 13.65-999 ?-999 ?-999 ? MG MG A 184 mASP^B 36 -14.68 29.52 91.00 -14.19 29.66 90.13 -16.98 30.45 90.98 -17.81 31.33 91.23 -15.58 30.50 91.59 -14.99 31.91 91.43 2 0 16.28-999 ?-999 ?-999 ? MG MG A 184 mGLN^B 37 -17.24 29.43 90.17 -16.48 28.79 90.05 -19.09 27.86 89.73 -18.36 26.95 90.13 -18.54 29.27 89.53 -18.44 29.58 88.04 2 0 18.73-999 ?-999 ?-999 ? MG MG A 184 mGLU^B 38 -20.38 27.69 89.44 -20.83 28.52 89.12 -21.98 26.13 88.41 -22.70 27.03 87.97 -21.05 26.40 89.58 -21.84 26.37 90.88 2 0 21.06-999 ?-999 ?-999 ? MG MG A 184 mTRP^B 39 -21.97 24.90 87.92 -21.33 24.28 88.37 -23.34 23.10 87.01 -22.84 22.37 87.87 -22.83 24.51 86.80 -22.07 24.56 85.47 3 0 23.02-999 ?-999 ?-999 ? MG MG A 184 mGLU^B 40 -24.36 22.73 86.25 -24.69 23.44 85.63 -24.43 20.65 85.10 -24.84 20.94 83.98 -24.93 21.40 86.32 -26.46 21.45 86.28 2 0 23.84-999 ?-999 ?-999 ? MG MG B 185 mPHE^B 41 -23.55 19.67 85.31 -23.31 19.53 86.27 -23.92 17.75 83.79 -24.19 16.84 84.58 -23.01 18.90 84.20 -21.63 18.36 84.56 3 0 21.50-999 ?-999 ?-999 ? MG MG B 185 mILE^B 42 -24.38 17.80 82.55 -24.05 18.59 82.02 -24.65 16.04 80.83 -24.27 16.66 79.83 -25.27 16.78 82.01 -26.59 17.42 81.55 3 0 19.04-999 ?-999 ?-999 ? MG MG B 185 mGLY^B 43 -24.56 14.72 80.95 -24.90 14.35 81.82 -25.08 13.40 78.96 -25.94 12.62 79.36 -24.00 13.90 79.89-999.99-999.99-999.99 1 0 17.21-999 ?-999 ?-999 ? MG MG B 185 mVAL^B 44 -25.04 13.85 77.71 -24.28 14.47 77.52 -25.45 12.47 75.70 -24.24 12.42 75.50 -26.03 13.44 76.72 -26.58 14.68 75.96 3 0 14.12-999 ?-999 ?-999 ? MG MG B 185 mSER^B 45 -26.31 11.69 75.04 -27.27 11.81 75.30 -26.31 11.17 72.65 -27.51 11.23 72.38 -25.84 10.74 74.04 -26.36 9.34 74.37 2 0 12.55-999 ?-999 ?-999 ? MG MG B 185 mVAL^B 46 -25.37 11.49 71.77 -24.44 11.41 72.13 -24.69 11.32 69.41 -23.51 11.11 69.73 -25.68 11.90 70.41 -25.68 13.45 70.26 3 0 8.83-999 ?-999 ?-999 ? MG MG B 185 mPRO^B 47 -25.15 11.07 68.17 -26.12 11.29 68.03 -23.15 11.45 66.72 -23.28 12.68 66.77 -24.28 10.51 67.14 -25.24 10.21 66.00 3 0 7.54-999 ?-999 ?-999 ? MG MG B 185 mSER^B 48 -22.04 10.86 66.30 -22.08 9.86 66.32 -20.90 11.78 64.36 -20.24 12.67 63.83 -20.87 11.60 65.87 -19.61 10.82 66.23 2 0 7.48-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 49 -21.66 10.93 63.69 -22.13 10.26 64.26 -20.48 10.58 61.53 -20.23 10.97 60.39 -21.78 10.97 62.23 -22.25 12.35 61.78 2 0 -6.86-999 ?-999 ?-999 ? MG MG B 185s mVAL^B 50 -19.65 9.83 62.24 -19.98 9.64 63.17 -18.21 7.89 62.21 -19.06 7.40 62.95 -18.38 9.33 61.71 -17.17 10.17 62.19 3 0 10.34-999 ?-999 ?-999 ? MG MG B 185 mALA^B 51 -17.13 7.23 61.81 -16.52 7.75 61.21 -16.88 5.77 63.75 -16.40 6.69 64.42 -16.90 5.85 62.23 -15.56 5.36 61.66 2 0 13.87-999 ?-999 ?-999 ? MG MG B 185 mASP^B 52 -17.41 4.69 64.31 -17.78 4.01 63.67 -15.98 4.59 66.26 -15.72 4.86 67.43 -17.41 4.55 65.76 -18.08 3.24 66.17 2 0 14.86-999 ?-999 ?-999 ? MG MG B 185 mGLN^B 53 -15.05 4.33 65.34 -15.43 4.12 64.43 -12.92 5.16 64.53 -12.48 4.61 63.52 -13.63 4.35 65.62 -13.08 2.92 65.65 2 0 17.34-999 ?-999 ?-999 ? MG MG B 185 mPRO^B 54 -12.84 6.48 64.70 -13.26 6.81 65.55 -10.79 6.88 63.42 -10.04 6.50 64.32 -12.19 7.38 63.74 -12.16 8.71 64.47 3 0 16.29-999 ?-999 ?-999 ? MG MG B 185 mMETB 55 -10.44 6.89 62.13 -11.14 7.24 61.52 -8.22 7.51 61.15 -7.28 7.24 60.40 -9.13 6.41 61.69 -9.29 5.32 60.62 2 0 19.40-999 ?-999 ?-999 ? MG MG B 185 mSER^B 56 -8.52 8.76 61.50 -9.34 8.85 62.06 -7.90 11.04 62.04 -8.93 11.12 62.71 -7.69 9.88 61.08 -8.01 10.32 59.64 2 0 19.21-999 ?-999 ?-999 ? MG MG B 185 mASP^B 57 -6.92 11.94 62.10 -6.15 11.74 61.49 -8.19 13.93 62.55 -9.02 14.31 63.38 -6.99 13.10 62.97 -5.69 13.92 62.85 2 0 18.91-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 58 -8.30 14.19 61.25 -7.57 13.80 60.69 -10.78 14.41 61.06 -11.71 15.16 61.40 -9.41 14.98 60.72 -9.27 15.12 59.19 2 0 16.40-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 59 -10.92 13.10 60.96 -10.10 12.61 60.68 -12.51 12.48 62.75 -13.67 12.62 63.16 -12.20 12.45 61.26 -12.21 11.01 60.74 2 0 14.11-999 ?-999 ?-999 ? MG MG B 185 mTHR^B 60 -11.47 12.34 63.57 -10.59 12.23 63.11 -12.17 13.73 65.43 -13.15 13.84 66.16 -11.65 12.36 65.01 -10.32 12.07 65.75 2 0 14.70-999 ?-999 ?-999 ? MG MG B 185 mLYS^B 61 -11.50 14.78 64.96 -10.72 14.56 64.38 -13.32 16.41 64.76 -14.16 16.98 65.45 -11.92 16.14 65.29 -10.97 17.17 64.69 2 0 13.84-999 ?-999 ?-999 ? MG MG B 185 mGLN^B 62 -13.58 16.01 63.52 -12.84 15.55 63.04 -16.00 15.59 63.72 -17.10 16.13 63.85 -14.90 16.27 62.94 -14.97 15.82 61.48 2 0 10.67-999 ?-999 ?-999 ? MG MG B 185 mGLY^B 63 -15.71 14.42 64.27 -14.78 14.09 64.11 -17.04 14.41 66.32 -18.19 14.44 66.75 -16.70 13.69 65.04-999.99-999.99-999.99 1 0 9.57-999 ?-999 ?-999 ? MG MG B 185 mALA^B 64 -16.03 15.00 66.95 -15.13 14.89 66.51 -17.13 16.95 67.83 -18.09 17.25 68.53 -16.26 15.74 68.18 -14.93 16.20 68.78 2 0 10.70-999 ?-999 ?-999 ? MG MG B 185 mLEU^B 65 -16.78 17.62 66.74 -15.98 17.25 66.27 -18.98 18.50 65.96 -19.89 19.28 66.31 -17.52 18.80 66.28 -16.83 19.41 65.04 3 0 8.96-999 ?-999 ?-999 ? MG MG B 185 mASN^B 66 -19.22 17.37 65.29 -18.40 16.85 65.07 -21.42 16.64 66.18 -22.61 16.96 66.22 -20.58 16.96 64.94 -20.56 15.71 64.04 2 0 5.36-999 ?-999 ?-999 ? MG MG B 185 mARG^B 67 -20.80 15.99 67.17 -19.84 15.77 66.99 -21.95 16.91 69.13 -23.05 17.00 69.66 -21.51 15.64 68.40 -20.64 14.81 69.36 2 0 6.85-999 ?-999 ?-999 ? MG MG B 185 mVAL^B 68 -21.06 17.90 69.15 -20.19 17.69 68.69 -22.51 19.86 69.08 -23.40 20.40 69.74 -21.35 19.16 69.80 -20.08 20.05 69.83 3 0 8.40-999 ?-999 ?-999 ? MG MG B 185 mARG^B 69 -22.52 19.83 67.75 -21.75 19.36 67.32 -24.92 19.73 67.31 -25.96 20.36 67.52 -23.62 20.47 67.01 -23.34 20.46 65.50 2 0 5.88-999 ?-999 ?-999 ? MG MG B 185 mASN^B 70 -24.88 18.40 67.34 -23.98 18.01 67.14 -26.52 17.85 69.08 -27.71 17.82 69.38 -26.06 17.60 67.65 -25.78 16.10 67.49 2 0 -4.80-999 ?-999 ?-999 ? MG MG B 185s mALA^B 71 -25.56 18.10 69.96 -24.63 18.09 69.58 -26.60 19.68 71.50 -27.59 19.78 72.23 -25.86 18.36 71.36 -24.58 18.40 72.18 2 0 8.57-999 ?-999 ?-999 ? MG MG B 185 mLYS^B 72 -26.12 20.69 70.78 -25.32 20.47 70.23 -28.20 21.90 70.36 -29.11 22.43 71.00 -26.75 22.00 70.82 -25.97 22.99 69.96 2 0 9.57-999 ?-999 ?-999 ? MG MG B 185 mGLN^B 73 -28.41 21.20 69.25 -27.58 20.82 68.85 -30.69 20.22 69.58 -31.89 20.49 69.62 -29.74 21.02 68.68 -29.63 20.31 67.32 2 0 8.31-999 ?-999 ?-999 ? MG MG B 185 mARG^B 74 -30.15 19.24 70.30 -29.16 19.15 70.21 -31.26 18.97 72.54 -32.35 18.76 73.08 -30.98 18.40 71.15 -30.32 17.02 71.27 2 0 9.96-999 ?-999 ?-999 ? MG MG B 185 mHIS^B 75 -30.31 19.70 73.09 -29.49 19.80 72.53 -30.00 21.76 74.37 -28.94 22.11 74.90 -30.45 20.30 74.41 -29.62 19.52 75.43 3 0 12.96-999 ?-999 ?-999 ? MG MG B 185 mPRO^B 76 -30.79 22.63 73.74 -31.62 22.22 73.34 -30.50 24.76 74.98 -31.13 24.27 75.92 -30.47 24.06 73.64 -31.55 24.59 72.70 3 0 13.88-999 ?-999 ?-999 ? MG MG B 185 mGLY^B 77 -29.82 25.89 75.08 -29.32 26.17 74.26 -28.65 26.55 77.27 -28.49 27.42 78.12 -29.84 26.64 76.33-999.99-999.99-999.99 1 0 17.22-999 ?-999 ?-999 ? MG MG B 185 mALA^B 78 -27.84 25.50 77.14 -28.09 24.86 76.41 -25.65 26.42 77.73 -25.57 26.94 76.62 -26.68 25.34 78.01 -26.06 23.97 77.82 2 0 17.41-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 79 -24.86 26.76 78.73 -25.02 26.27 79.59 -22.64 27.24 77.78 -22.01 27.96 77.01 -23.84 27.78 78.55 -23.39 28.32 79.91 2 0 19.23-999 ?-999 ?-999 ? MG MG B 185 mTYR^B 80 -22.34 25.96 77.98 -22.95 25.49 78.62 -21.56 23.90 76.82 -22.32 23.18 77.47 -21.22 25.31 77.31 -20.02 25.22 78.25 3 0 17.30-999 ?-999 ?-999 ? MG MG B 185 mTYR^B 81 -20.99 23.52 75.69 -20.42 24.22 75.25 -19.80 21.61 74.93 -18.93 22.26 74.34 -21.19 22.19 75.14 -21.96 22.26 73.82 3 0 14.06-999 ?-999 ?-999 ? MG MG B 185 mVAL^B 82 -19.58 20.40 75.42 -20.36 19.96 75.86 -18.26 18.46 74.58 -19.05 17.57 74.88 -18.27 19.78 75.31 -17.62 19.59 76.70 3 0 14.67-999 ?-999 ?-999 ? MG MG B 185 mGLY^B 83 -17.36 18.34 73.61 -16.80 19.16 73.45 -15.83 16.55 73.15 -14.85 17.29 73.22 -17.21 17.11 72.85-999.99-999.99-999.99 1 0 12.94-999 ?-999 ?-999 ? MG MG B 185 mLEU^B 84 -15.76 15.24 73.32 -16.64 14.77 73.22 -14.46 13.27 72.84 -15.13 12.29 73.20 -14.51 14.57 73.64 -14.47 14.29 75.14 3 0 15.50-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 85 -13.66 13.25 71.78 -13.13 14.09 71.65 -12.17 11.52 70.68 -11.27 12.23 70.21 -13.56 12.09 70.89 -14.14 12.46 69.52 2 0 15.08-999 ?-999 ?-999 ? MG MG B 185 mALA^B 86 -11.99 10.24 71.01 -12.81 9.80 71.38 -10.60 9.03 69.41 -11.61 8.74 68.76 -10.71 9.57 70.83 -10.58 8.41 71.84 2 0 18.24-999 ?-999 ?-999 ? MG MG B 185 mGLY^B 87 -9.38 8.92 68.90 -8.64 9.21 69.50 -7.76 8.01 67.31 -6.92 8.14 68.20 -9.20 8.41 67.55-999.99-999.99-999.99 1 0 18.88-999 ?-999 ?-999 ? MG MG B 185 mILE^B 88 -7.48 7.51 66.12 -8.25 7.44 65.49 -5.73 7.55 64.39 -6.59 7.74 63.52 -6.11 7.12 65.79 -5.88 5.58 65.94 3 0 21.84-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 89 -4.43 7.73 64.17 -3.87 7.59 64.99 -2.59 7.31 62.73 -1.64 7.51 63.49 -3.89 8.09 62.87 -3.62 9.59 62.77 2 0 23.30-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 90 -2.56 6.41 61.75 -3.39 6.37 61.19 -1.18 4.70 62.75 -2.00 3.83 63.05 -1.40 5.57 61.52 -0.16 6.42 61.22 2 0 26.62-999 ?-999 ?-999 ? MG MG B 185 mASN^B 91 -0.09 4.95 63.48 0.48 5.69 63.14 0.03 4.97 65.96 0.47 4.56 67.03 0.20 4.16 64.68 1.63 3.62 64.59 2 0 24.26-999 ?-999 ?-999 ? MG MG B 184 mLYS^B 92 -0.64 6.12 65.86 -0.97 6.33 64.93 -2.31 7.09 67.47 -3.24 6.93 66.69 -0.86 6.99 67.01 -0.39 8.41 66.70 2 0 21.77-999 ?-999 ?-999 ? MG MG B 184 mTHR^B 93 -2.48 7.37 68.76 -1.64 7.44 69.30 -3.83 8.90 70.04 -2.79 9.39 70.49 -3.82 7.55 69.31 -4.22 6.39 70.26 2 0 19.83-999 ?-999 ?-999 ? MG MG B 184 mPHE^B 94 -5.01 9.49 70.16 -5.78 8.96 69.80 -6.63 11.10 70.88 -7.45 10.31 70.44 -5.14 10.80 70.76 -4.50 11.84 69.83 3 0 19.10-999 ?-999 ?-999 ? MG MG B 184 mALA^B 95 -6.97 12.25 71.45 -6.21 12.81 71.78 -8.54 14.09 71.28 -7.66 14.90 71.60 -8.37 12.62 71.57 -8.88 12.30 72.98 2 0 19.64-999 ?-999 ?-999 ? MG MG B 185 mTRP^B 96 -9.65 14.44 70.64 -10.25 13.68 70.39 -10.92 16.34 71.39 -11.90 15.65 71.71 -9.93 15.84 70.36 -10.52 16.01 68.95 3 0 17.31-999 ?-999 ?-999 ? MG MG B 185 mMETB 97 -10.65 17.53 71.90 -9.81 17.92 71.54 -12.09 19.42 72.22 -11.36 20.25 71.67 -11.48 18.20 72.89 -10.62 18.70 74.05 2 0 17.30-999 ?-999 ?-999 ? MG MG B 185 mILE^B 98 -13.41 19.54 72.27 -13.87 18.79 72.74 -15.03 21.31 72.74 -15.88 20.62 73.31 -14.10 20.69 71.69 -15.00 20.30 70.49 3 0 14.96-999 ?-999 ?-999 ? MG MG B 185 mVAL^B 99 -14.87 22.60 73.00 -14.13 23.04 72.50 -16.38 24.45 73.21 -15.68 25.30 72.65 -15.74 23.28 73.95 -14.98 23.85 75.17 3 0 16.15-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 100 -17.70 24.49 73.21 -18.15 23.74 73.69 -19.36 26.31 73.45 -20.09 25.71 74.24 -18.40 25.57 72.53 -19.18 25.03 71.33 2 0 14.91-999 ?-999 ?-999 ? MG MG B 185 mSER^B 101 -19.33 27.63 73.35 -18.63 27.99 72.73 -21.20 28.85 72.95 -21.09 28.31 71.84 -20.26 28.47 74.08 -19.58 29.72 74.63 2 0 17.06-999 ?-999 ?-999 ? MG MG B 185 mASP^B 102 -22.11 29.78 73.21 -22.09 30.12 74.15 -22.39 30.98 71.05 -22.85 30.90 69.91 -23.06 30.23 72.20 -24.10 31.16 72.83 2 0 16.61-999 ?-999 ?-999 ? MG MG B 185 mGLN^B 103 -21.33 31.72 71.35 -21.04 31.67 72.31 -19.21 32.09 70.00 -18.74 32.35 68.90 -20.65 32.51 70.34 -20.65 33.98 70.76 2 0 18.16-999 ?-999 ?-999 ? MG MG B 185 mGLN^B 104 -18.52 31.45 70.94 -19.01 31.27 71.79 -16.86 29.57 70.78 -17.68 28.80 71.28 -17.15 31.06 70.67 -16.19 31.85 71.57 2 0 18.37-999 ?-999 ?-999 ? MG MG B 185 mARG^B 105 -15.69 29.17 70.28 -15.13 29.90 69.90 -13.88 27.57 70.77 -13.00 28.33 70.42 -15.30 27.77 70.29 -15.41 27.17 68.89 2 0 16.80-999 ?-999 ?-999 ? MG MG B 185 mGLY^B 106 -13.66 26.54 71.57 -14.47 25.99 71.81 -11.98 24.86 71.61 -12.88 24.02 71.46 -12.32 26.27 72.03-999.99-999.99-999.99 1 0 18.70-999 ?-999 ?-999 ? MG MG B 185 mGLU^B 107 -10.71 24.58 71.38 -10.07 25.34 71.51 -8.88 22.92 71.29 -8.04 23.81 71.37 -10.33 23.24 70.99 -10.60 23.01 69.49 2 0 18.43-999 ?-999 ?-999 ? MG MG B 185 mSER^B 108 -8.63 21.64 71.47 -9.43 21.05 71.39 -7.30 19.66 71.54 -8.28 18.97 71.84 -7.29 21.15 71.74 -6.87 21.45 73.19 2 0 19.34-999 ?-999 ?-999 ? MG MG A 184 mARG^B 109 -6.19 19.17 71.01 -5.51 19.85 70.78 -4.98 17.34 71.83 -3.96 18.01 72.00 -6.02 17.75 70.79 -5.46 17.47 69.39 2 0 20.98-999 ?-999 ?-999 ? MG MG A 184 mSER^B 110 -5.25 16.24 72.53 -6.12 15.80 72.28 -3.05 15.27 72.93 -2.95 15.12 71.71 -4.36 15.74 73.55 -4.99 14.57 74.29 2 0 18.06-999 ?-999 ?-999 ? MG MG B 184 mALA^B 111 -2.06 15.05 73.79 -2.28 15.24 74.74 -1.00 13.18 72.72 -1.79 12.40 73.25 -0.76 14.55 73.32 0.20 14.45 74.48 2 0 17.18-999 ?-999 ?-999 ? MG MG B 184 mCYH^B 112 -0.33 12.87 71.61 0.29 13.58 71.28 0.46 10.52 71.52 1.53 10.85 72.04 -0.51 11.57 70.98 -0.41 11.67 69.45 2 0 18.35-999 ?-999 ?-999 ? MG MG B 184 mLEU^B 113 0.08 9.26 71.38 -0.80 9.15 70.91 0.97 6.97 70.89 0.01 6.65 70.19 0.87 8.14 71.88 0.23 7.66 73.20 3 0 16.94-999 ?-999 ?-999 ? MG MG B 184 mMETB 114 2.15 6.36 70.84 2.83 6.74 71.46 1.83 3.94 70.53 2.20 3.54 71.63 2.40 5.22 69.95 3.89 4.99 69.76 2 0 19.05-999 ?-999 ?-999 ? MG MG B 184 mLEU^B 115 0.95 3.29 69.79 0.73 3.73 68.91 1.19 0.86 69.75 1.89 0.95 68.74 0.36 2.04 70.24 -1.07 1.91 69.71 3 0 19.20-999 ?-999 ?-999 ? MG MG B 184 mPRO^B 116 1.16 -0.26 70.47 0.58 -0.22 71.29 1.48 -1.92 68.68 0.28 -1.91 68.36 1.93 -1.44 70.06 1.61 -2.46 71.14 3 0 20.63-999 ?-999 ?-999 ? MG MG B 184 mPRO^B 117 2.42 -2.36 67.83 3.35 -2.32 68.21 1.06 -3.96 66.46 0.21 -4.01 65.57 2.10 -2.83 66.49 3.45 -3.26 65.93 3 0 24.46-999 ?-999 ?-999 ? MG MG B 184 mLEU^B 118 1.14 -4.87 67.43 1.88 -4.71 68.09 -1.19 -5.45 67.78 -2.17 -5.92 67.20 0.21 -5.99 67.51 0.63 -6.96 68.62 3 0 24.94-999 ?-999 ?-999 ? MG MG B 184 mVAL^B 119 -1.28 -4.47 68.67 -0.42 -4.19 69.07 -3.10 -3.11 67.78 -4.30 -3.12 67.49 -2.57 -3.87 68.99 -2.45 -2.89 70.17 3 0 22.74-999 ?-999 ?-999 ? MG MG B 184 mLEU^B 120 -2.19 -2.46 67.06 -1.26 -2.56 67.40 -3.08 -2.52 64.75 -4.10 -2.20 64.15 -2.55 -1.66 65.90 -1.33 -0.87 65.44 3 0 24.60-999 ?-999 ?-999 ? MG MG B 184 mGLU^B 121 -2.38 -3.61 64.45 -1.57 -3.76 65.03 -4.17 -5.08 63.59 -5.01 -5.07 62.69 -2.78 -4.50 63.37 -1.77 -5.64 63.19 2 0 28.04-999 ?-999 ?-999 ? MG MG B 184 mARG^B 122 -4.43 -5.58 64.79 -3.68 -5.51 65.45 -6.76 -5.14 65.51 -7.76 -5.47 66.15 -5.73 -6.17 65.08 -5.59 -7.25 66.15 2 0 27.72-999 ?-999 ?-999 ? MG MG B 184 mLEU^B 123 -6.52 -3.88 65.14 -5.67 -3.76 64.63 -7.99 -2.25 64.15 -9.09 -1.70 64.10 -7.43 -2.80 65.46 -6.69 -1.71 66.24 3 0 26.37-999 ?-999 ?-999 ? MG MG B 184 mARG^B 124 -7.21 -2.41 63.08 -6.34 -2.87 63.27 -8.75 -2.86 61.29 -9.51 -2.52 60.38 -7.61 -1.96 61.75 -6.45 -2.09 60.77 2 0 25.89-999 ?-999 ?-999 ? MG MG B 185 mGLN^B 125 -8.86 -4.02 61.94 -8.17 -4.15 62.65 -11.19 -4.64 62.35 -12.10 -5.47 62.47 -9.90 -4.99 61.62 -9.43 -6.39 62.04 2 0 26.75-999 ?-999 ?-999 ? MG MG B 185 mALA^B 126 -11.28 -3.40 62.83 -10.47 -2.85 62.65 -12.71 -3.75 64.81 -13.82 -3.75 65.34 -12.45 -2.91 63.56 -13.67 -2.93 62.65 2 0 23.56-999 ?-999 ?-999 ? MG MG B 185 mLYS^B 127 -11.67 -4.44 65.26 -10.84 -4.33 64.72 -13.10 -5.99 66.56 -13.63 -6.17 67.65 -11.75 -5.29 66.45 -11.49 -4.47 67.71 2 0 26.16-999 ?-999 ?-999 ? MG MG B 185 mGLY^B 130 -9.49 -0.42 71.42 -8.73 -0.13 70.84 -10.22 -1.91 73.26 -9.15 -1.85 73.87 -10.60 -0.84 72.25-999.99-999.99-999.99 1 0 21.15-999 ?-999 ?-999 ? MG MG B 184 mASP^B 131 -11.10 -2.88 73.44 -11.93 -2.79 72.87 -9.66 -4.78 73.96 -9.15 -5.61 74.72 -10.89 -3.98 74.38 -12.11 -4.90 74.41 2 0 21.15-999 ?-999 ?-999 ? MG MG B 184 mVAL^B 132 -9.20 -4.54 72.73 -9.73 -3.85 72.23 -6.85 -5.11 73.15 -5.93 -5.92 73.10 -8.03 -5.22 72.18 -7.61 -4.59 70.83 3 0 22.13-999 ?-999 ?-999 ? MG MG B 184 mMETB 133 -6.91 -4.11 74.02 -7.73 -3.55 73.95 -5.71 -4.97 76.03 -5.59 -4.69 77.22 -5.84 -3.86 74.98 -6.09 -2.52 75.68 2 0 18.52-999 ?-999 ?-999 ? MG MG B 184 mASP^B 134 -5.72 -6.22 75.58 -5.83 -6.31 74.60 -4.52 -8.32 76.01 -4.80 -9.21 75.21 -5.59 -7.35 76.50 -6.92 -8.08 76.66 2 0 19.72-999 ?-999 ?-999 ? MG MG B 184 mGLU^B 135 -3.30 -8.15 76.51 -3.20 -7.39 77.15 -1.35 -9.41 77.33 -0.47 -10.27 77.24 -2.20 -9.03 76.12 -1.31 -8.37 75.07 2 0 20.58-999 ?-999 ?-999 ? MG MG B 184 mILE^B 142 -9.11 -2.74 81.61 -9.81 -3.43 81.78 -8.65 -0.32 81.63 -7.91 0.59 82.00 -8.09 -1.72 81.37 -7.57 -1.80 79.91 3 0 14.04-999 ?-999 ?-999 ? MG MG B 184 mLYS^B 143 -9.96 -0.17 81.45 -10.43 -1.00 81.16 -10.73 1.47 83.14 -11.51 2.34 83.53 -10.63 1.11 81.66 -12.04 1.07 81.06 2 0 14.10-999 ?-999 ?-999 ? MG MG B 184 mGLN^B 144 -9.94 0.80 83.97 -9.35 0.11 83.53 -8.56 1.37 85.94 -8.42 1.90 87.04 -9.95 1.06 85.40 -10.54 -0.14 86.16 2 0 12.09-999 ?-999 ?-999 ? MG MG B 184 mLYS^B 145 -7.53 1.04 85.16 -7.78 0.62 84.29 -5.54 2.44 84.77 -4.33 2.48 84.55 -6.16 1.30 85.58 -5.31 0.04 85.43 2 0 9.01-999 ?-999 ?-999 ? MG MG B 184 mGLY^B 146 -6.38 3.36 84.32 -7.35 3.21 84.54 -5.94 4.33 82.06 -5.34 5.11 81.33 -5.89 4.50 83.56-999.99-999.99-999.99 1 0 8.27-999 ?-999 ?-999 ? MG MG B 184 mGLY^B 147 -6.64 3.30 81.59 -7.08 2.73 82.29 -5.44 2.68 79.51 -4.47 2.36 80.20 -6.75 3.06 80.16-999.99-999.99-999.99 1 0 11.64-999 ?-999 ?-999 ? MG MG B 184 mALA^B 148 -5.40 2.70 78.18 -6.26 2.97 77.75 -3.02 3.19 77.94 -1.93 2.67 78.18 -4.19 2.35 77.45 -4.41 2.56 75.96 2 0 12.95-999 ?-999 ?-999 ? MG MG B 184 mILE^B 149 -3.24 4.49 78.09 -4.17 4.78 77.87 -1.62 4.97 79.91 -0.41 4.87 80.08 -2.19 5.40 78.56 -2.73 6.84 78.68 3 0 10.57-999 ?-999 ?-999 ? MG MG B 184 mGLY^B 150 -2.51 4.71 80.86 -3.47 4.82 80.59 -1.27 3.01 82.15 -0.25 2.88 82.83 -2.08 4.29 82.18-999.99-999.99-999.99 1 0 7.44-999 ?-999 ?-999 ? MG MG B 184 mLEU^B 151 -1.71 2.05 81.34 -2.54 2.28 80.83 0.34 0.95 80.59 1.35 0.48 81.10 -1.02 0.78 81.25 -1.89 -0.23 80.48 3 0 9.84-999 ?-999 ?-999 ? MG MG B 184 mLEU^B 152 0.37 1.66 79.46 -0.52 2.01 79.18 2.64 2.77 79.41 3.83 2.68 79.10 1.61 1.88 78.72 1.27 2.42 77.32 3 0 11.41-999 ?-999 ?-999 ? MG MG B 184 mTHR^B 153 2.21 3.63 80.33 1.22 3.61 80.48 3.40 4.09 82.49 3.89 4.89 83.29 3.14 4.52 81.04 2.63 5.99 81.11 2 0 8.71-999 ?-999 ?-999 ? MG MG B 184 mARG^B 154 3.10 2.84 82.81 2.74 2.29 82.06 2.55 3.28 85.13 3.00 3.53 86.25 3.29 2.35 84.18 4.77 2.33 84.57 2 0 7.35-999 ?-999 ?-999 ? MG MG B 184 mHIS^B 155 1.42 3.80 84.66 1.21 3.51 83.73 1.24 6.03 85.75 0.82 6.74 86.65 0.57 4.70 85.43 0.11 4.00 86.72 3 0 -4.12-999 ?-999 ?-999 ? MG MG B 184s mHIS^B 156 2.29 6.39 85.03 2.61 5.75 84.33 1.97 8.73 84.66 2.02 9.92 84.97 2.88 7.68 85.30 4.33 7.73 84.81 3 0 4.55-999 ?-999 ?-999 ? MG MG B 184 mLEU^B 157 1.10 8.25 83.79 1.19 7.27 83.61 -1.13 8.23 83.11 -1.05 7.00 83.21 0.11 9.09 83.16 0.51 9.48 81.73 3 0 5.97-999 ?-999 ?-999 ? MG MG B 184 mTHR^B 158 -2.29 8.86 82.99 -2.22 9.86 82.99 -4.31 8.89 81.82 -3.96 10.03 81.48 -3.53 8.13 82.87 -4.37 8.11 84.17 2 0 6.96-999 ?-999 ?-999 ? MG MG B 184 mARG^B 159 -5.35 8.26 81.30 -5.49 7.33 81.65 -6.80 10.13 80.93 -6.95 11.16 80.27 -6.19 8.89 80.30 -7.28 7.92 79.84 2 0 10.64-999 ?-999 ?-999 ? MG MG B 184 mSER^B 160 -7.14 10.05 82.21 -6.96 9.16 82.64 -6.78 12.38 82.99 -7.18 13.51 82.72 -7.73 11.19 82.90 -8.17 10.81 84.32 2 0 10.55-999 ?-999 ?-999 ? MG MG B 184 mTHR^B 161 -5.52 12.14 83.37 -5.29 11.19 83.55 -4.15 13.82 82.15 -3.72 14.97 82.07 -4.59 13.26 83.50 -3.36 12.88 84.36 2 0 9.34-999 ?-999 ?-999 ? MG MG B 184 mVAL^B 162 -4.26 13.03 81.09 -4.61 12.11 81.29 -5.06 14.30 79.22 -4.88 15.39 78.68 -3.88 13.49 79.76 -3.58 12.29 78.83 3 0 11.73-999 ?-999 ?-999 ? MG MG B 184 mTYR^B 163 -6.27 13.78 79.38 -6.28 12.89 79.83 -7.61 15.82 79.66 -8.06 16.82 79.09 -7.45 14.50 78.91 -8.70 13.64 79.11 3 0 14.43-999 ?-999 ?-999 ? MG MG B 184 mHIS^B 164 -7.26 15.82 80.95 -6.92 14.94 81.28 -6.61 18.20 81.16 -7.12 19.32 81.09 -7.37 17.03 81.79 -6.83 16.74 83.20 3 0 14.04-999 ?-999 ?-999 ? MG MG A 184 mGLN^B 165 -5.38 17.95 80.71 -5.08 17.00 80.81 -5.23 19.54 78.84 -5.37 20.75 78.67 -4.58 19.01 80.11 -3.16 18.51 79.79 2 0 12.47-999 ?-999 ?-999 ? MG MG A 184 mALA^B 166 -5.63 18.65 77.94 -5.46 17.69 78.20 -7.51 19.87 76.99 -7.76 20.89 76.34 -6.25 19.06 76.70 -6.57 17.84 75.83 2 0 15.60-999 ?-999 ?-999 ? MG MG A 184 mLEU^B 167 -8.31 19.42 77.95 -8.00 18.59 78.41 -9.22 21.57 78.73 -9.88 22.52 78.30 -9.53 20.15 78.29 -10.32 19.41 79.37 3 0 15.62-999 ?-999 ?-999 ? MG MG A 184 mILE^B 168 -8.23 21.72 79.60 -7.78 20.88 79.89 -7.39 23.90 78.88 -7.74 25.08 78.79 -7.86 23.05 80.06 -6.74 23.00 81.12 3 0 12.29-999 ?-999 ?-999 ? MG MG A 184 mLEU^B 169 -6.60 23.32 77.98 -6.37 22.36 78.18 -7.32 24.50 75.95 -7.35 25.62 75.46 -6.13 24.05 76.81 -5.16 23.19 75.99 3 0 13.70-999 ?-999 ?-999 ? MG MG A 184 mALA^B 170 -8.31 23.62 75.79 -8.18 22.75 76.26 -10.29 25.12 75.58 -11.10 25.72 74.89 -9.48 23.96 74.99 -10.37 22.73 74.81 2 0 16.95-999 ?-999 ?-999 ? MG MG A 184 mLEU^B 171 -10.06 25.44 76.85 -9.36 24.89 77.30 -10.11 27.89 77.38 -10.69 28.90 77.79 -10.79 26.53 77.50 -11.01 26.22 78.98 3 0 15.60-999 ?-999 ?-999 ? MG MG A 184 mILE^B 172 -8.89 27.93 76.85 -8.54 27.04 76.57 -9.00 30.35 76.17 -9.05 31.41 76.78 -8.16 29.18 76.71 -6.89 29.01 75.83 3 0 14.76-999 ?-999 ?-999 ? MG MG A 184 mPRO^B 173 -9.67 30.15 75.03 -9.57 29.25 74.62 -11.47 31.82 75.49 -11.64 33.03 75.56 -10.50 31.23 74.46 -11.22 30.53 73.31 3 0 18.30-999 ?-999 ?-999 ? MG MG A 184 mPHE^B 174 -12.09 30.96 76.29 -11.84 30.01 76.13 -12.39 32.01 78.53 -13.03 32.75 79.28 -13.05 31.39 77.30 -13.91 30.21 77.73 3 0 17.99-999 ?-999 ?-999 ? MG MG A 184 mILE^B 175 -11.12 31.68 78.74 -10.74 31.05 78.06 -9.83 33.60 79.56 -9.69 34.44 80.45 -10.38 32.21 79.87 -9.17 31.29 80.22 3 0 14.72-999 ?-999 ?-999 ? MG MG A 184 mASN^B 176 -9.52 33.85 78.29 -9.70 33.09 77.67 -9.77 35.81 76.77 -9.27 36.03 75.66 -8.95 35.13 77.87 -7.52 34.89 77.38 2 0 16.41-999 ?-999 ?-999 ? MG MG A 184 mPRO^B 177 -11.02 36.18 77.07 -11.29 35.97 78.01 -11.30 38.06 75.41 -11.60 38.34 74.25 -11.90 36.84 76.10 -13.12 37.22 76.94 3 0 20.11-999 ?-999 ?-999 ? MG MG A 184 mGLU^B 178 -10.45 38.78 76.13 -10.29 38.44 77.06 -8.84 39.65 74.45 -8.42 40.54 73.72 -9.82 39.97 75.58 -9.07 40.74 76.67 2 0 21.11-999 ?-999 ?-999 ? MG MG A 184 mHIS^B 179 -8.50 38.37 74.30 -8.94 37.74 74.93 -8.11 37.06 72.20 -7.46 36.80 71.19 -7.55 37.98 73.26 -6.34 37.32 73.91 3 0 20.59-999 ?-999 ?-999 ? MG MG A 184 mTYR^B 180 -9.32 36.55 72.43 -9.74 36.85 73.29 -11.39 36.08 71.15 -12.35 35.61 71.75 -9.97 35.64 71.50 -10.02 34.22 72.08 3 0 21.84-999 ?-999 ?-999 ? MG MG A 184 mPRO^B 181 -11.54 36.99 70.18 -10.68 37.30 69.77 -13.64 36.51 68.90 -13.06 35.58 68.32 -12.85 37.50 69.76 -12.50 38.78 69.02 3 0 25.34-999 ?-999 ?-999 ? MG MG A 184 mSER^B 182 -14.95 36.72 68.81 -15.26 37.52 69.33 -15.60 34.39 68.40 -15.29 33.59 67.48 -15.84 35.85 68.04 -15.61 36.06 66.54 2 0 22.11-999 ?-999 ?-999 ? MG MG B 185