REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-MAR-07 2PD0 COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; SOURCE 3 ORGANISM_TAXID: 5807; SOURCE 4 GENE: XP_626409; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) ROSETTA-R3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: P28A-LIC AUTHOR M.CYMBOROWSKI,M.CHRUSZCZ,T.HILLS,J.LEW,M.MELONE,Y.ZHAO,J.ARTZ, AUTHOR 2 A.WERNIMONT,A.EDWARDS,M.SUNDSTROM,J.WEIGELT,A.BOCHKAREV, AUTHOR 3 C.ARROWSMITH,R.HUI,W.MINOR,STRUCTURAL GENOMICS CONSORTIUM (SGC) HET MSE A 25 8 HET MSE A 131 8 HET MSE A 164 8 HET MSE B 25 8 HET MSE B 131 8 HET MSE B 164 8 HET MSE C 25 8 HET MSE C 131 8 HET MSE C 164 8 HET MSE D 25 8 HET MSE D 131 8 HET MSE D 164 8 HET MES D 501 12 HET MES A 502 12 HET MES B 503 12 HET MES C 504 12 SITE 1 AC1 10 ASN D 6 PHE D 8 ARG D 86 ARG D 87 SITE 1 AC2 8 ASN A 6 PHE A 8 ARG A 86 ARG A 87 SITE 1 AC3 12 ASN B 6 PHE B 8 ARG B 86 ARG B 87 SITE 1 AC4 9 ASN C 6 PHE C 8 ARG C 86 TYR C 119 >LYS.A 1 46.31 90.64 70.90 42.58 93.49 74.31 44.45 92.06 72.60 2 0 18.29 -999 ? C2 MES A 502 >LEU.A 2 49.71 94.08 70.38 49.84 94.68 68.33 49.78 94.38 69.35 3 0 19.30 -999 ? C2 MES A 502 >LEU.A 3 53.06 91.62 73.77 53.52 89.64 73.01 53.29 90.63 73.39 3 0 13.96 -999 ? C2 MES A 502 >GLY^A 4 52.33 94.25 77.01 52.73 93.50 76.85 52.53 93.88 76.93 1 0 11.78 -999 ? C2 MES A 502 >VAL^A 5 55.46 94.22 79.19 57.52 94.83 78.61 56.49 94.52 78.90 3 0 10.13 -999 ? O1 MES A 502 >ASN.A 6 54.78 91.72 83.19 54.82 91.52 85.28 54.80 91.62 84.23 2 0 -3.24 -999 ? O1 MES A 502s >SER~A 7 57.03 95.14 85.30 55.99 95.03 87.50 56.51 95.08 86.40 2 0 5.44 -999 ? O1 MES A 502 >PHE~A 8 59.52 89.66 86.92 61.21 87.88 88.25 60.36 88.77 87.58 3 0 -4.11 -999 ? C5 MES A 502s >ALA~A 9 60.94 92.29 82.71 60.19 92.15 81.35 60.56 92.22 82.03 2 0 8.17 -999 ? O1 MES A 502 >LEU~A 10 61.20 96.87 84.01 59.42 97.79 83.16 60.31 97.33 83.58 3 0 9.87 -999 ? O1 MES A 502 >ARG~A 11 63.80 92.23 88.41 64.71 89.46 87.29 64.25 90.84 87.85 2 0 7.71 -999 ? O3S MES A 502 >GLN~A 12 65.49 90.95 81.95 64.99 89.25 80.81 65.24 90.10 81.38 2 0 9.98 -999 ? O3S MES A 502 >PHE~A 13 65.09 96.73 79.08 63.46 95.21 77.31 64.27 95.97 78.19 3 0 14.28 -999 ? O1 MES A 502 >VAL~A 14 69.49 97.59 83.55 68.71 98.51 85.41 69.10 98.05 84.48 3 0 16.12 -999 ? O1 MES A 502 >GLU.A 15 75.45 96.88 81.95 77.12 98.10 81.39 76.29 97.49 81.67 2 0 23.46 -999 ? O3S MES A 502 >GLY.A 16 74.30 94.18 85.69 73.66 94.06 85.24 73.98 94.12 85.47 1 0 18.23 -999 ? O3S MES A 502 >TYR.A 17 69.08 91.09 84.11 67.29 88.96 84.16 68.19 90.03 84.14 3 0 11.18 -999 ? O3S MES A 502 >ARG.A 18 74.58 88.14 88.26 76.56 89.84 89.89 75.57 88.99 89.07 2 0 18.52 -999 ? O3S MES A 502 >GLY.A 19 71.21 86.91 82.31 71.53 87.74 82.28 71.37 87.33 82.30 1 0 13.24 -999 ? O3S MES A 502 >SER.A 20 70.04 88.56 79.07 69.11 86.55 78.18 69.58 87.56 78.62 2 0 13.55 -999 ? O3S MES A 502 >TYR.A 21 72.22 94.36 79.59 72.57 97.11 79.24 72.40 95.74 79.41 3 0 19.21 -999 ? O3S MES A 502 >ILE.A 22 67.51 94.13 76.25 66.41 93.67 75.75 66.96 93.90 76.00 3 0 16.72 -999 ? O3S MES A 502 >PRO.A 23 72.68 95.77 74.68 70.92 96.59 75.83 71.80 96.18 75.25 3 0 21.10 -999 ? O3S MES A 502 >ARG.A 24 74.10 100.97 72.90 75.77 100.15 75.36 74.94 100.56 74.13 2 0 25.78 -999 ? O1 MES A 502 >MET?A 25 66.84 100.41 73.99 65.11 97.48 71.33 65.98 98.95 72.66 2 0 20.45 -999 ? O1 MES A 502 >SER~A 26 63.90 101.26 76.22 62.29 102.61 74.99 63.10 101.94 75.61 2 0 19.34 -999 ? O1 MES A 502 >PRO~A 27 62.01 99.02 79.54 61.90 99.08 77.32 61.96 99.05 78.43 3 0 14.63 -999 ? O1 MES A 502 >TYR~A 28 57.39 102.64 74.81 55.49 103.77 73.18 56.44 103.20 73.99 3 0 19.34 -999 ? O1 MES A 502 >GLU~A 29 62.64 101.56 70.52 64.71 101.99 70.08 63.67 101.77 70.30 2 0 23.34 -999 ? O1 MES A 502 >PHE~A 30 62.28 94.71 73.91 62.34 91.86 73.65 62.31 93.28 73.78 3 0 15.84 -999 ? O1 MES A 502 >LEU~A 31 56.80 96.65 74.06 54.80 95.99 74.47 55.80 96.32 74.27 3 0 14.97 -999 ? C2 MES A 502 >ARG~A 32 57.09 101.86 70.28 54.23 102.12 69.10 55.66 101.99 69.69 2 0 22.46 -999 ? C2 MES A 502 >ASN~A 33 60.93 96.26 67.92 61.90 97.87 66.98 61.42 97.07 67.45 2 0 23.16 -999 ? O1 MES A 502 >VAL~A 34 58.22 92.90 69.09 58.55 91.75 70.84 58.39 92.32 69.96 3 0 17.89 -999 ? C3 MES A 502 >ASN~A 35 53.93 94.91 69.11 53.07 94.24 70.86 53.50 94.57 69.98 2 0 17.26 -999 ? C2 MES A 502 >ASN~A 36 56.56 95.85 64.39 55.92 97.82 64.73 56.24 96.83 64.56 2 0 24.20 -999 ? C2 MES A 502 >TYR~A 37 58.67 89.47 64.74 59.49 87.14 63.73 59.08 88.30 64.23 3 0 19.79 -999 ? C6 MES D 501 >ILE~A 38 53.25 90.08 66.76 52.69 89.60 67.93 52.97 89.84 67.35 3 0 19.78 -999 ? C3 MES A 502 >ILE~A 39 51.71 93.70 63.05 51.01 94.89 63.24 51.36 94.29 63.15 3 0 24.85 -999 ? C2 MES A 502 >GLU~A 40 55.57 93.69 59.80 57.32 94.73 60.36 56.44 94.21 60.08 2 0 21.25 -999 ? C6 MES D 501 >ASN~A 41 56.59 87.62 61.20 58.03 88.89 60.30 57.31 88.26 60.75 2 0 17.11 -999 ? C6 MES D 501 >ASN~A 42 51.12 85.96 61.90 49.53 85.11 63.06 50.32 85.54 62.48 2 0 21.50 -999 ? C6 MES D 501 >PRO.A 43 55.11 85.97 66.04 54.34 84.61 64.49 54.73 85.29 65.27 3 0 20.75 -999 ? C6 MES D 501 >THR.A 44 53.86 80.78 66.48 53.98 78.72 65.84 53.92 79.75 66.16 2 0 20.38 -999 ? O2S MES B 503 >LEU.A 45 51.28 81.68 70.33 50.96 83.15 71.90 51.12 82.41 71.11 3 0 16.97 -999 ? C3 MES A 502 >VAL^A 46 54.11 78.07 71.85 56.04 77.42 71.23 55.08 77.75 71.54 3 0 16.58 -999 ? O1S MES A 502 >ASP^A 47 52.61 74.74 75.08 50.57 74.41 74.46 51.59 74.57 74.77 2 0 16.60 -999 ? O1S MES A 502 >GLY.A 48 55.23 76.90 78.04 54.56 76.41 78.04 54.90 76.65 78.04 1 0 10.96 -999 ? O1S MES A 502 >TYR.A 49 56.41 76.37 83.21 55.95 78.32 85.12 56.18 77.34 84.16 3 0 6.00 -999 ? O1S MES A 502 >ALA.A 50 51.96 75.75 82.35 51.86 76.39 83.77 51.91 76.07 83.06 2 0 8.94 -999 ? O1S MES A 502 >ASP.A 51 47.36 76.52 80.78 47.15 74.46 80.76 47.25 75.49 80.77 2 0 14.59 -999 ? O1S MES A 502 >PHE.A 52 50.20 80.44 84.09 52.08 79.41 85.94 51.14 79.93 85.02 3 0 7.24 -999 ? O1S MES A 502 >CYH^A 53 52.80 80.65 80.04 55.53 80.36 80.27 54.16 80.51 80.16 2 0 7.57 -999 ? O1S MES A 502 >LYS^A 54 53.58 80.99 76.33 49.07 77.86 75.92 51.32 79.42 76.12 2 0 14.89 -999 ? O1S MES A 502 >HIS^A 55 57.96 80.00 75.50 58.69 79.42 77.37 58.33 79.71 76.43 3 0 11.18 -999 ? O1S MES A 502 >ILE^A 56 56.68 84.49 70.29 56.05 85.57 70.18 56.37 85.03 70.24 3 0 16.80 -999 ? C3 MES A 502 >PHE^A 57 61.28 80.53 70.33 60.82 78.79 72.58 61.05 79.66 71.45 3 0 16.34 -999 ? O3S MES A 502 >ILE^A 58 61.44 87.20 67.47 60.67 88.18 68.29 61.06 87.69 67.88 3 0 19.61 -999 ? O3S MES A 502 >PRO^A 59 64.32 86.30 63.34 64.60 86.56 65.55 64.46 86.43 64.45 3 0 18.92 -999 ? C6 MES D 501 >ASN.A 60 68.53 88.51 68.55 69.40 89.87 69.99 68.96 89.19 69.27 2 0 20.72 -999 ? O3S MES A 502 >PHE.A 61 64.46 93.36 67.60 62.82 93.71 69.83 63.64 93.54 68.72 3 0 20.94 -999 ? C3 MES A 502 >THR.A 62 68.72 93.90 69.71 67.58 93.04 71.42 68.15 93.47 70.56 2 0 19.89 -999 ? O3S MES A 502 >GLU.A 63 73.53 96.40 70.29 74.03 98.33 71.07 73.78 97.36 70.68 2 0 26.06 -999 ? O3S MES A 502 >ALA.A 64 71.69 91.40 73.50 70.32 91.00 74.02 71.01 91.20 73.76 2 0 18.50 -999 ? O3S MES A 502 >LYS.A 65 74.41 88.71 73.71 78.44 92.69 74.75 76.42 90.70 74.23 2 0 24.42 -999 ? O3S MES A 502 >GLN.A 66 75.60 82.65 74.36 77.24 81.57 73.61 76.42 82.11 73.99 2 0 22.66 -999 ? O3S MES A 502 >SER.A 67 73.86 84.69 78.08 71.52 84.56 78.56 72.69 84.63 78.32 2 0 14.99 -999 ? O3S MES A 502 >ILE^A 68 73.22 79.95 78.81 72.15 79.24 79.21 72.69 79.59 79.01 3 0 16.35 -999 ? O3S MES A 502 >VAL^A 69 77.73 79.09 78.35 79.40 80.54 78.75 78.56 79.81 78.55 3 0 21.60 -999 ? O3S MES A 502 >ILE.A 71 80.22 74.41 83.19 79.98 74.67 84.53 80.10 74.54 83.86 3 0 23.21 -999 ? O3S MES A 502 >THR.A 72 83.97 72.81 80.83 84.39 73.87 78.88 84.18 73.34 79.85 2 0 28.40 -999 ? O3S MES A 502 >ASN.A 73 87.91 70.42 82.39 87.19 68.49 82.80 87.55 69.45 82.60 2 0 31.65 -999 ? O2S MES C 504 >GLU.A 74 88.19 76.05 79.53 87.13 76.02 77.68 87.66 76.04 78.61 2 0 30.56 -999 ? O3S MES A 502 >ASN~A 75 85.49 77.83 81.33 83.63 76.85 81.09 84.56 77.34 81.21 2 0 26.18 -999 ? O3S MES A 502 >GLU~A 76 84.94 74.39 87.72 84.14 72.55 88.22 84.54 73.47 87.97 2 0 26.09 -999 ? O3S MES C 504 >LYS~A 77 87.57 77.96 87.64 93.01 79.98 86.40 90.29 78.97 87.02 2 0 34.07 -999 ? O3S MES A 502 >TYR~A 78 87.13 81.69 84.60 89.65 81.60 83.50 88.39 81.64 84.05 3 0 29.46 -999 ? O3S MES A 502 >ILE~A 79 81.91 78.77 88.62 80.70 78.68 87.99 81.31 78.72 88.31 3 0 22.79 -999 ? O3S MES A 502 >LYS^A 80 81.21 82.70 90.84 81.01 87.49 93.49 81.11 85.10 92.16 2 0 23.00 -999 ? O3S MES A 502 >THR^A 81 78.75 81.70 93.55 79.74 79.97 94.47 79.25 80.83 94.01 2 0 21.86 -999 ? O2S MES A 502 >GLY^A 82 76.47 83.66 95.90 75.99 83.16 95.51 76.23 83.41 95.71 1 0 18.95 -999 ? O2S MES A 502 >TYR^A 83 72.99 82.82 99.46 72.96 80.09 100.20 72.98 81.45 99.83 3 0 16.79 -999 ? O3S MES C 504 >ILE^A 84 71.72 86.37 93.59 72.74 87.44 93.14 72.23 86.90 93.36 3 0 14.65 -999 ? O2S MES A 502 >SER.A 85 67.56 87.94 94.88 66.90 88.70 97.11 67.23 88.32 96.00 2 0 12.69 -999 ? O2S MES A 502 >ARG.A 86 64.27 85.42 89.71 61.34 84.54 89.65 62.81 84.98 89.68 2 0 -3.07 -999 ? O2S MES A 502s >ARG.A 87 60.54 90.61 92.21 57.90 89.07 92.23 59.22 89.84 92.22 2 0 -3.67 -999 ? C6 MES A 502s >ASP.A 88 63.62 94.70 96.88 65.13 96.00 96.23 64.37 95.35 96.56 2 0 13.41 -999 ? C6 MES A 502 >GLU.A 89 59.06 93.14 96.40 60.07 93.75 94.65 59.57 93.44 95.52 2 0 8.28 -999 ? C6 MES A 502 >GLU.A 90 61.21 87.30 94.78 61.67 86.43 92.91 61.44 86.87 93.85 2 0 5.82 -999 ? O2S MES A 502 >ILE.A 91 64.00 84.73 100.17 63.17 83.71 100.61 63.58 84.22 100.39 3 0 12.19 -999 ? O2S MES A 502 >PRO.A 92 68.61 86.00 100.16 67.29 85.59 98.39 67.95 85.80 99.27 3 0 13.89 -999 ? O2S MES A 502 >VAL^A 93 68.84 82.08 96.43 67.55 80.80 95.22 68.20 81.44 95.82 3 0 11.61 -999 ? O2S MES A 502 >LEU^A 94 72.46 78.86 96.65 74.48 78.08 96.91 73.47 78.47 96.78 3 0 16.39 -999 ? O3S MES C 504 >SER^A 95 73.30 80.91 92.50 72.98 82.55 90.69 73.14 81.73 91.60 2 0 14.33 -999 ? O2S MES A 502 >ARG^A 96 77.11 76.79 89.27 77.19 73.96 88.17 77.15 75.38 88.72 2 0 20.58 -999 ? O2S MES A 502 >TRP^A 97 78.19 85.65 87.94 77.24 85.27 91.72 77.71 85.46 89.83 3 0 18.78 -999 ? O3S MES A 502 >PHE^A 98 80.86 81.70 83.41 81.52 79.01 82.95 81.19 80.36 83.18 3 0 22.65 -999 ? O3S MES A 502 >PRO.A 99 82.68 86.17 87.37 81.17 86.46 85.71 81.93 86.31 86.54 3 0 22.85 -999 ? O3S MES A 502 >LYS.A 100 81.06 89.73 82.85 81.23 95.83 84.58 81.15 92.78 83.72 2 0 25.10 -999 ? O3S MES A 502 >ASP.A 101 85.54 90.76 84.37 84.97 92.77 84.76 85.25 91.77 84.57 2 0 27.30 -999 ? O3S MES A 502 >SER~A 102 85.79 86.49 82.96 84.03 84.82 83.10 84.91 85.66 83.03 2 0 25.17 -999 ? O3S MES A 502 >PRO~A 103 89.17 84.32 81.34 87.17 84.96 80.57 88.17 84.64 80.95 3 0 29.62 -999 ? O3S MES A 502 >PRO~A 104 84.55 81.50 81.17 84.64 82.95 79.45 84.60 82.23 80.31 3 0 26.36 -999 ? O3S MES A 502 >ALA~A 105 82.14 85.92 78.74 81.59 86.62 79.97 81.87 86.27 79.36 2 0 23.64 -999 ? O3S MES A 502 >SER~A 106 84.71 87.96 76.69 86.48 88.02 78.40 85.59 87.99 77.55 2 0 28.90 -999 ? O3S MES A 502 >GLN~A 107 84.66 83.79 74.87 85.07 81.68 74.66 84.87 82.74 74.76 2 0 28.81 -999 ? O3S MES A 502 >LEU.A 108 79.33 86.22 74.67 79.32 84.39 75.83 79.32 85.30 75.25 3 0 23.38 -999 ? O3S MES A 502 >ILE.A 109 78.97 87.99 69.24 79.64 87.42 68.15 79.30 87.71 68.70 3 0 27.48 -999 ? O3S MES A 502 >LYS.A 110 74.88 89.03 69.75 70.85 91.94 65.79 72.86 90.49 67.77 2 0 24.15 -999 ? C6 MES D 501 >SER.A 111 72.58 85.96 70.15 70.70 86.60 71.59 71.64 86.28 70.87 2 0 19.46 -999 ? O3S MES A 502 >LYS.A 112 70.64 84.77 67.07 73.55 80.38 63.68 72.09 82.57 65.38 2 0 19.71 -999 ? C5 MES D 501 >TYR^A 113 66.83 82.49 67.31 67.52 81.15 64.98 67.17 81.82 66.15 3 0 19.72 -999 ? C6 MES D 501 >LEU^A 114 64.63 87.35 71.51 65.65 89.22 71.81 65.14 88.28 71.66 3 0 17.05 -999 ? O3S MES A 502 >ASP^A 115 63.43 82.31 74.40 61.90 81.45 75.64 62.66 81.88 75.02 2 0 12.03 -999 ? O3S MES A 502 >ILE^A 116 59.52 86.85 73.60 59.44 87.98 72.92 59.48 87.41 73.26 3 0 14.21 -999 ? O3S MES A 502 >ILE^A 117 59.18 83.98 78.99 59.83 82.85 79.86 59.51 83.42 79.42 3 0 7.68 -999 ? O3S MES A 502 >LEU^A 118 53.85 85.37 76.91 54.14 86.19 74.95 54.00 85.78 75.93 3 0 11.09 -999 ? C3 MES A 502 >TYR^A 119 53.64 84.60 83.39 55.36 82.84 84.81 54.50 83.72 84.10 3 0 -4.57 -999 ? C3 MES A 502s >SER^A 120 48.62 85.60 80.88 47.52 84.18 82.52 48.07 84.89 81.70 2 0 9.36 -999 ? C3 MES A 502 >LYS~A 121 46.96 88.75 82.18 41.84 90.44 80.54 44.40 89.59 81.36 2 0 14.58 -999 ? C2 MES A 502 >GLU~A 122 43.45 84.69 85.31 43.12 82.61 85.20 43.28 83.65 85.25 2 0 13.08 -999 ? C3 MES A 502 >GLN~A 123 50.74 83.68 86.19 50.29 82.42 87.89 50.52 83.05 87.04 2 0 7.02 -999 ? C3 MES A 502 >CYH~A 124 50.13 88.39 86.24 51.66 88.92 83.91 50.90 88.65 85.08 2 0 4.45 -999 ? C2 MES A 502 >GLU~A 125 45.46 91.05 87.18 43.93 90.81 85.75 44.69 90.93 86.47 2 0 11.08 -999 ? C2 MES A 502 >LYS~A 126 47.20 86.58 90.46 47.81 80.49 91.32 47.51 83.54 90.89 2 0 10.56 -999 ? C8 MES A 502 >GLU~A 127 52.22 85.32 90.11 54.03 85.07 89.02 53.13 85.20 89.57 2 0 -3.12 -999 ? C8 MES A 502s >SER~A 128 50.48 90.85 91.87 49.96 93.11 91.12 50.22 91.98 91.49 2 0 7.58 -999 ? C2 MES A 502 >SER~A 129 47.72 90.28 94.45 46.08 88.49 94.32 46.90 89.38 94.39 2 0 11.24 -999 ? C2 MES A 502 >ILE.A 130 50.57 86.99 96.19 50.11 85.65 96.96 50.34 86.32 96.57 3 0 9.97 -999 ? C6 MES A 502 >MET?A 131 53.45 90.44 96.39 57.03 88.42 95.66 55.24 89.43 96.03 2 0 6.75 -999 ? C5 MES A 502 >CYH.A 133 54.95 95.86 93.81 55.19 94.90 91.18 55.07 95.38 92.50 2 0 6.27 -999 ? C6 MES A 502 >LEU.A 135 56.48 98.01 89.35 58.49 98.25 89.93 57.49 98.13 89.64 3 0 8.91 -999 ? O1 MES A 502 >GLN.A 136 52.65 101.81 84.79 50.60 101.26 84.67 51.62 101.54 84.73 2 0 13.11 -999 ? O1 MES A 502 >ASP.A 137 52.60 96.80 83.00 52.47 95.31 84.43 52.53 96.05 83.71 2 0 7.36 -999 ? O1 MES A 502 >ILE^A 138 56.23 99.20 79.50 56.61 100.63 79.50 56.42 99.92 79.50 3 0 13.21 -999 ? O1 MES A 502 >LEU^A 139 50.50 99.59 77.82 49.36 98.46 79.32 49.93 99.03 78.57 3 0 14.21 -999 ? C2 MES A 502 >ASP.A 140 51.92 98.49 72.56 52.57 99.08 70.61 52.24 98.78 71.59 2 0 19.61 -999 ? C2 MES A 502 >ASP.A 141 50.53 104.04 72.00 51.76 103.79 70.25 51.15 103.91 71.12 2 0 22.81 -999 ? C2 MES A 502 >ARG.A 142 50.55 100.12 67.02 53.30 98.72 66.74 51.92 99.42 66.88 2 0 22.75 -999 ? C2 MES A 502 >GLU.A 143 46.86 95.51 73.31 45.02 95.37 72.35 45.94 95.44 72.83 2 0 18.89 -999 ? C2 MES A 502 >LYS.A 144 45.77 99.22 76.23 41.29 100.72 73.25 43.53 99.97 74.74 2 0 22.73 -999 ? C2 MES A 502 >ASN.A 145 43.00 95.87 77.76 42.24 94.39 79.18 42.62 95.13 78.47 2 0 15.84 -999 ? C2 MES A 502 >PRO.A 146 48.53 94.16 77.38 46.51 93.56 76.55 47.52 93.86 76.97 3 0 13.47 -999 ? C2 MES A 502 >ASP.A 147 45.19 88.35 76.02 43.21 88.99 75.51 44.20 88.67 75.76 2 0 16.37 -999 ? C2 MES A 502 >TRP^A 148 48.28 86.17 75.10 48.85 83.17 77.58 48.57 84.67 76.34 3 0 12.70 -999 ? C3 MES A 502 >TYR^A 149 51.33 91.60 80.55 49.24 93.46 80.81 50.29 92.53 80.68 3 0 8.70 -999 ? C2 MES A 502 >ILE^A 150 57.22 90.57 77.50 58.02 90.77 76.32 57.62 90.67 76.91 3 0 10.76 -999 ? C3 MES A 502 >ILE^A 151 57.14 87.56 82.77 56.74 86.63 83.17 56.94 87.09 82.97 3 0 4.25 -999 ? C3 MES A 502 >SER^A 152 61.22 87.43 80.59 62.84 85.78 81.42 62.03 86.60 81.01 2 0 6.94 -999 ? O3S MES A 502 >ILE^A 153 63.81 89.09 77.11 63.54 90.21 76.62 63.67 89.65 76.87 3 0 12.46 -999 ? O3S MES A 502 >LYS^A 154 66.22 85.02 76.86 65.53 83.54 82.04 65.88 84.28 79.45 2 0 8.11 -999 ? O3S MES A 502 >ALA^A 155 68.95 85.96 74.39 69.83 87.18 74.65 69.39 86.57 74.52 2 0 16.65 -999 ? O3S MES A 502 >GLN^A 156 67.62 81.67 73.33 66.48 80.30 74.48 67.05 80.98 73.90 2 0 15.03 -999 ? O3S MES A 502 >ASN.A 157 72.64 80.48 69.68 73.84 82.23 69.96 73.24 81.35 69.82 2 0 22.60 -999 ? O3S MES A 502 >GLU.A 158 69.59 76.67 71.95 70.52 77.79 73.49 70.05 77.23 72.72 2 0 18.77 -999 ? O3S MES A 502 >SER.A 159 64.94 78.67 68.61 64.61 77.99 66.32 64.77 78.33 67.47 2 0 19.17 -999 ? C5 MES D 501 >PHE.A 160 65.11 74.40 71.25 67.69 73.53 72.00 66.40 73.96 71.62 3 0 19.79 -999 ? O1S MES A 502 >GLU.A 161 61.29 76.91 76.94 60.49 75.68 78.40 60.89 76.29 77.67 2 0 11.44 -999 ? O1S MES A 502 >VAL.A 162 65.91 75.99 77.15 67.93 76.94 77.00 66.92 76.47 77.08 3 0 14.75 -999 ? O3S MES A 502 >PRO.A 163 66.55 72.73 80.20 65.33 74.60 79.91 65.94 73.66 80.06 3 0 14.00 -999 ? O1S MES A 502 >MET?A 164 64.50 76.89 83.48 60.36 76.89 85.03 62.43 76.89 84.26 2 0 6.45 -999 ? O1S MES A 502 >GLU~A 165 69.22 77.85 86.62 70.36 79.60 86.90 69.79 78.72 86.76 2 0 12.04 -999 ? O3S MES A 502 >PRO~A 166 68.26 73.13 88.30 66.57 74.59 88.56 67.41 73.86 88.43 3 0 12.62 -999 ? O2S MES A 502 >ILE~A 167 66.89 77.91 92.24 66.54 78.35 92.89 66.71 78.13 92.56 3 0 9.90 -999 ? O2S MES A 502 >THR~A 168 63.21 78.59 89.58 63.33 79.57 87.63 63.27 79.08 88.61 2 0 5.96 -999 ? O2S MES A 502 >ILE~A 169 61.76 74.00 89.01 61.63 72.77 88.13 61.70 73.38 88.57 3 0 9.87 -999 ? O1S MES A 502 >LEU~A 170 62.94 74.83 94.11 64.08 72.97 94.62 63.51 73.90 94.37 3 0 11.44 -999 ? O2S MES A 502 >ARG~A 171 61.68 82.39 93.30 64.42 82.32 91.88 63.05 82.36 92.59 2 0 6.29 -999 ? O2S MES A 502 >ASN~A 172 57.49 77.59 90.29 58.03 78.99 88.76 57.76 78.29 89.52 2 0 -3.62 -999 ? O1S MES A 502s >THR~A 173 56.18 75.90 94.45 57.07 74.26 95.68 56.63 75.08 95.07 2 0 10.93 -999 ? O2S MES A 502 >LEU~A 174 56.94 79.22 97.58 57.62 77.90 99.19 57.28 78.56 98.39 3 0 10.22 -999 ? O2S MES A 502 >ILE~A 175 52.06 81.50 94.79 50.75 81.83 94.56 51.40 81.67 94.68 3 0 9.04 -999 ? C8 MES A 502 >GLU~A 176 54.91 83.94 100.88 54.17 83.96 102.86 54.54 83.95 101.87 2 0 14.35 -999 ? O2S MES A 502 >GLU~A 177 58.21 82.50 99.96 59.06 83.99 101.20 58.64 83.25 100.58 2 0 11.97 -999 ? O2S MES A 502 >GLY~A 178 56.85 84.00 94.62 57.58 84.32 94.40 57.22 84.16 94.51 1 0 5.75 -999 ? O2S MES A 502 >GLY.A 179 56.34 81.81 92.79 56.39 82.41 92.22 56.37 82.11 92.50 1 0 -4.39 -999 ? O2S MES A 502s >SER.A 180 54.07 81.24 89.83 54.77 79.25 88.62 54.42 80.24 89.23 2 0 4.35 -999 ? O1S MES A 502 >GLY.A 181 52.41 78.70 92.07 52.76 78.44 91.45 52.58 78.57 91.76 1 0 7.91 -999 ? O1S MES A 502 >VAL.A 182 52.95 75.35 90.25 52.84 75.07 88.03 52.90 75.21 89.14 3 0 8.68 -999 ? O1S MES A 502 >PRO.A 183 51.37 71.49 91.53 53.32 72.55 91.70 52.35 72.02 91.62 3 0 12.30 -999 ? O1S MES A 502 >LEU.A 184 58.13 70.26 92.59 60.20 69.71 92.75 59.16 69.99 92.67 3 0 13.42 -999 ? O2S MES A 502 >LYS~A 185 57.10 67.86 88.77 53.31 69.96 84.33 55.21 68.91 86.55 2 0 13.37 -999 ? O1S MES A 502 >ARG~A 186 61.08 63.22 91.92 62.91 62.02 94.06 61.99 62.62 92.99 2 0 12.75 -999 ? O2S MES C 504 >GLU~A 187 58.67 64.82 83.98 56.97 65.58 85.04 57.82 65.20 84.51 2 0 16.85 -999 ? O1S MES A 502 >LYS~A 188 60.82 68.47 84.71 57.81 68.85 80.23 59.32 68.66 82.47 2 0 15.16 -999 ? O1S MES A 502 >TYR~A 189 63.91 69.57 90.05 65.98 70.54 91.73 64.95 70.06 90.89 3 0 14.42 -999 ? O2S MES A 502 >LEU~A 190 65.28 64.85 86.85 65.66 63.69 88.77 65.47 64.27 87.81 3 0 17.89 -999 ? O2S MES C 504 >GLU~A 191 63.39 66.79 81.78 62.37 67.01 79.92 62.88 66.90 80.85 2 0 17.61 -999 ? O1S MES A 502 >SER~A 192 66.42 71.02 84.25 65.90 73.05 85.38 66.16 72.04 84.81 2 0 12.54 -999 ? O1S MES A 502 >VAL~A 193 69.25 69.61 86.44 69.37 68.65 88.41 69.31 69.13 87.43 3 0 17.52 -999 ? O2S MES A 502 >GLU~A 194 71.09 65.62 81.95 72.17 64.21 83.10 71.63 64.91 82.53 2 0 23.58 -999 ? O1S MES A 502 >PHE~A 195 70.23 72.87 80.16 71.03 75.05 78.51 70.63 73.96 79.34 3 0 17.12 -999 ? O3S MES A 502 >TRP~A 196 68.99 74.62 84.15 70.66 77.89 82.76 69.82 76.26 83.45 3 0 13.69 -999 ? O3S MES A 502 >LYS.A 197 74.89 70.79 85.69 74.58 66.05 84.89 74.74 68.42 85.29 2 0 22.67 -999 ? O2S MES C 504 >GLU.A 198 75.75 70.29 80.86 76.10 68.71 79.49 75.92 69.50 80.18 2 0 24.07 -999 ? O3S MES A 502 >HIS^A 199 74.53 74.59 79.86 74.55 73.21 78.28 74.54 73.90 79.07 3 0 20.08 -999 ? O3S MES A 502 >ALA^A 200 75.96 78.71 83.61 77.18 78.98 84.45 76.57 78.85 84.03 2 0 18.88 -999 ? O3S MES A 502 >ILE^A 201 73.31 82.64 84.22 72.14 83.22 84.72 72.72 82.93 84.47 3 0 13.83 -999 ? O3S MES A 502 >VAL^A 202 76.75 84.93 82.16 78.01 84.89 80.44 77.38 84.91 81.30 3 0 19.10 -999 ? O3S MES A 502 >SER.A 203 76.33 88.00 84.28 76.48 89.40 86.22 76.41 88.70 85.25 2 0 18.12 -999 ? O3S MES A 502 >SER.A 204 75.64 91.52 83.32 77.26 93.41 83.74 76.45 92.46 83.53 2 0 20.61 -999 ? O3S MES A 502 >SER.B 0 43.24 53.00 86.91 44.67 54.69 87.99 43.96 53.85 87.45 2 0 21.77 -999 ? C6 MES B 503 >LYS.B 1 43.09 50.35 84.18 38.15 49.19 81.08 40.62 49.77 82.63 2 0 19.03 -999 ? C6 MES B 503 >LEU.B 2 45.92 46.51 83.49 46.43 45.50 85.35 46.18 46.00 84.42 3 0 19.16 -999 ? C6 MES B 503 >LEU.B 3 49.34 48.86 80.18 49.98 50.84 80.71 49.66 49.85 80.45 3 0 13.73 -999 ? C6 MES B 503 >GLY^B 4 47.88 46.68 76.85 48.42 47.32 76.98 48.15 47.00 76.92 1 0 11.88 -999 ? C6 MES B 503 >VAL^B 5 50.53 46.37 74.16 52.48 45.32 74.40 51.50 45.85 74.28 3 0 10.07 -999 ? O1 MES B 503 >ASN.B 6 50.07 49.24 70.37 49.62 49.76 68.37 49.84 49.50 69.37 2 0 -3.19 -999 ? O1 MES B 503s >SER~B 7 51.26 45.62 67.78 50.05 46.57 65.87 50.65 46.10 66.82 2 0 5.29 -999 ? O1 MES B 503 >PHE~B 8 54.60 50.78 66.39 56.53 52.42 65.14 55.56 51.60 65.76 3 0 -3.73 -999 ? C3 MES B 503s >ALA~B 9 55.78 47.47 70.07 55.28 47.76 71.51 55.53 47.61 70.79 2 0 8.07 -999 ? O1 MES B 503 >LEU~B 10 55.08 42.93 68.41 53.23 42.30 69.55 54.16 42.62 68.98 3 0 10.19 -999 ? O1 MES B 503 >ARG~B 11 57.68 47.58 64.48 59.21 50.01 65.55 58.44 48.79 65.01 2 0 7.61 -999 ? C3 MES B 503 >GLN~B 12 60.36 47.80 70.46 60.69 49.55 71.68 60.52 48.67 71.07 2 0 10.24 -999 ? O1S MES B 503 >PHE~B 13 59.43 41.94 72.84 58.64 43.28 75.06 59.04 42.61 73.95 3 0 14.61 -999 ? O1 MES B 503 >VAL~B 14 63.13 40.73 67.94 62.05 40.19 66.18 62.59 40.46 67.06 3 0 16.43 -999 ? O1 MES B 503 >GLU.B 15 69.01 40.19 69.06 70.38 38.70 69.58 69.70 39.44 69.32 2 0 23.45 -999 ? O1S MES B 503 >GLY.B 16 68.11 43.32 65.41 67.68 43.54 65.99 67.89 43.43 65.70 1 0 18.25 -999 ? O1S MES B 503 >TYR.B 17 63.95 47.24 67.91 62.61 49.50 68.27 63.28 48.37 68.09 3 0 11.37 -999 ? O1S MES B 503 >ARG.B 18 68.32 49.95 62.24 70.58 48.03 61.54 69.45 48.99 61.89 2 0 17.72 -999 ? O1S MES B 503 >GLY.B 19 66.96 50.73 69.43 67.09 49.87 69.39 67.02 50.30 69.41 1 0 12.91 -999 ? O1S MES B 503 >SER.B 20 65.89 49.18 72.75 65.69 51.28 74.03 65.79 50.23 73.39 2 0 13.53 -999 ? O1S MES B 503 >TYR.B 21 66.83 43.15 71.66 66.62 40.39 71.72 66.73 41.77 71.69 3 0 19.33 -999 ? O1S MES B 503 >ILE.B 22 62.41 43.94 75.46 62.42 44.89 76.49 62.41 44.42 75.97 3 0 16.79 -999 ? C5 MES B 503 >PRO.B 23 67.25 41.38 76.71 65.37 40.85 75.47 66.31 41.11 76.09 3 0 21.25 -999 ? O1S MES B 503 >ARG.B 24 67.75 37.38 79.73 68.93 34.58 80.18 68.34 35.98 79.96 2 0 28.69 -999 ? O1 MES B 503 >MET?B 25 60.99 37.49 77.30 60.04 40.34 80.10 60.51 38.91 78.70 2 0 20.27 -999 ? O1 MES B 503 >SER~B 26 57.69 37.52 75.47 55.85 36.42 76.63 56.77 36.97 76.05 2 0 19.27 -999 ? O1 MES B 503 >PRO~B 27 55.91 40.32 72.63 56.09 40.16 74.93 56.00 40.24 73.78 3 0 14.80 -999 ? O1 MES B 503 >TYR~B 28 51.13 37.64 77.92 48.98 37.49 79.71 50.06 37.56 78.82 3 0 19.04 -999 ? O1 MES B 503 >GLU~B 29 57.51 37.10 81.05 56.62 36.70 82.95 57.07 36.90 82.00 2 0 23.31 -999 ? O1 MES B 503 >PHE~B 30 57.71 44.00 78.59 58.44 46.68 78.98 58.08 45.34 78.78 3 0 15.77 -999 ? C5 MES B 503 >LEU~B 31 52.02 43.15 78.99 50.18 44.36 78.73 51.10 43.75 78.86 3 0 14.94 -999 ? C6 MES B 503 >ARG~B 32 52.20 37.30 84.56 54.69 37.22 86.36 53.45 37.26 85.46 2 0 25.19 -999 ? O1 MES B 503 >ASN~B 33 56.94 42.21 84.50 57.42 40.16 84.81 57.18 41.19 84.66 2 0 22.91 -999 ? C6 MES B 503 >VAL~B 34 54.64 46.17 83.89 55.03 47.49 82.22 54.83 46.83 83.05 3 0 17.63 -999 ? C6 MES B 503 >ASN~B 35 50.00 44.96 84.36 49.27 45.75 82.54 49.64 45.36 83.45 2 0 17.08 -999 ? C6 MES B 503 >ASN~B 36 52.82 42.79 88.40 51.52 41.07 87.91 52.17 41.93 88.16 2 0 23.98 -999 ? C6 MES B 503 >TYR~B 37 56.64 48.66 88.53 58.23 50.55 89.85 57.43 49.60 89.19 3 0 22.51 -999 ? C2 MES C 504 >ILE~B 38 50.78 49.69 86.94 50.37 50.17 85.76 50.57 49.93 86.35 3 0 19.50 -999 ? C6 MES B 503 >ILE~B 39 49.15 46.03 90.71 48.32 44.84 90.55 48.74 45.44 90.63 3 0 24.77 -999 ? C6 MES B 503 >GLU~B 40 52.94 45.11 93.48 54.26 43.66 92.67 53.60 44.38 93.07 2 0 24.84 -999 ? C2 MES C 504 >ASN~B 41 55.20 50.89 92.15 56.37 49.25 92.88 55.78 50.07 92.51 2 0 20.28 -999 ? C2 MES C 504 >ASN.B 42 50.37 53.69 92.33 49.57 52.02 93.41 49.97 52.85 92.87 2 0 22.43 -999 ? C2 MES C 504 >PRO.B 43 54.00 53.46 87.69 53.35 54.78 89.37 53.68 54.12 88.53 3 0 21.47 -999 ? C5 MES B 503 >THR.B 44 53.10 58.82 87.93 53.71 60.66 88.95 53.40 59.74 88.44 2 0 21.12 -999 ? O2S MES C 504 >LEU.B 45 50.09 59.14 84.27 49.35 57.89 82.74 49.72 58.51 83.50 3 0 17.11 -999 ? C5 MES B 503 >VAL^B 46 53.72 61.72 82.75 55.91 62.03 83.24 54.82 61.88 82.99 3 0 16.87 -999 ? O2S MES B 503 >ASP^B 47 51.50 64.94 79.86 52.33 66.36 81.11 51.92 65.65 80.49 2 0 16.75 -999 ? O2S MES B 503 >GLY.B 48 54.13 63.33 76.47 53.53 63.88 76.55 53.83 63.60 76.51 1 0 11.13 -999 ? O2S MES B 503 >TYR.B 49 54.68 64.11 71.18 53.61 62.31 69.38 54.14 63.21 70.28 3 0 6.15 -999 ? O2S MES B 503 >ALA.B 50 50.47 65.40 72.70 50.21 64.77 71.31 50.34 65.09 72.00 2 0 8.91 -999 ? O2S MES B 503 >ASP.B 51 45.80 65.46 74.52 44.74 65.28 72.62 45.27 65.37 73.57 2 0 13.15 -999 ? O2S MES B 503 >PHE.B 52 47.66 61.30 70.89 49.42 62.27 68.93 48.54 61.78 69.91 3 0 7.37 -999 ? O2S MES B 503 >CYH^B 53 50.61 60.25 74.57 53.41 60.07 73.92 52.01 60.16 74.24 2 0 7.63 -999 ? O2S MES B 503 >LYS^B 54 51.76 59.47 78.13 48.27 63.28 79.47 50.01 61.38 78.80 2 0 15.05 -999 ? O2S MES B 503 >HIS^B 55 56.40 59.49 78.34 56.92 60.23 76.44 56.66 59.86 77.39 3 0 11.28 -999 ? O2S MES B 503 >ILE^B 56 54.67 54.93 83.52 53.64 54.08 83.75 54.15 54.51 83.64 3 0 16.67 -999 ? C5 MES B 503 >PHE^B 57 59.96 57.93 83.12 59.80 59.72 80.96 59.88 58.82 82.04 3 0 16.19 -999 ? O1S MES B 503 >ILE^B 58 59.04 51.32 85.10 58.10 51.02 85.16 58.57 51.17 85.13 3 0 19.43 -999 ? C5 MES B 503 >PRO^B 59 62.03 50.69 89.22 62.54 50.89 86.99 62.29 50.79 88.11 3 0 21.74 -999 ? C2 MES C 504 >ASN.B 60 65.79 48.53 83.49 66.00 47.15 81.86 65.89 47.84 82.67 2 0 20.85 -999 ? O1S MES B 503 >PHE.B 61 61.03 44.28 84.69 59.03 44.35 82.69 60.03 44.32 83.69 3 0 20.83 -999 ? C5 MES B 503 >THR.B 62 64.74 43.24 81.95 63.60 44.23 80.43 64.17 43.73 81.19 2 0 20.26 -999 ? C5 MES B 503 >GLU.B 63 68.79 40.33 81.14 69.88 40.92 82.89 69.34 40.62 82.01 2 0 26.86 -999 ? O1S MES B 503 >ALA.B 64 67.54 45.54 77.96 66.17 46.21 77.84 66.85 45.87 77.90 2 0 18.69 -999 ? O1S MES B 503 >LYS.B 65 70.71 47.63 77.45 73.59 42.41 75.75 72.15 45.02 76.60 2 0 24.64 -999 ? O1S MES B 503 >GLN.B 66 72.72 53.51 77.47 74.67 54.35 77.61 73.70 53.93 77.54 2 0 21.85 -999 ? O1S MES B 503 >SER.B 67 70.42 52.02 73.44 68.19 52.71 73.41 69.30 52.36 73.42 2 0 14.61 -999 ? O1S MES B 503 >ILE^B 68 70.61 56.83 73.13 69.69 57.70 72.90 70.15 57.27 73.02 3 0 15.51 -999 ? O1S MES B 503 >VAL^B 69 75.15 56.76 72.83 76.71 55.38 72.45 75.93 56.07 72.64 3 0 20.79 -999 ? O1S MES B 503 >LYS^B 70 76.64 60.30 72.68 76.80 65.18 73.60 76.72 62.74 73.14 2 0 23.36 -999 ? O1S MES B 503 >ILE.B 71 77.88 61.45 68.02 77.32 61.14 66.66 77.60 61.30 67.34 3 0 21.91 -999 ? O1S MES B 503 >THR.B 72 82.17 62.10 69.81 82.66 60.79 71.45 82.42 61.45 70.63 2 0 27.27 -999 ? O1S MES B 503 >ASN.B 73 86.28 63.96 68.06 85.80 66.01 67.65 86.04 64.99 67.85 2 0 31.03 -999 ? O1S MES B 503 >GLU.B 74 89.17 59.24 68.41 89.33 57.60 67.08 89.25 58.42 67.74 2 0 33.22 -999 ? O1S MES B 503 >ASN~B 75 82.50 56.81 68.98 81.06 58.28 69.69 81.78 57.54 69.33 2 0 25.18 -999 ? O1S MES B 503 >GLU~B 76 82.08 61.58 63.62 83.23 63.39 63.73 82.65 62.49 63.67 2 0 27.92 -999 ? O3S MES D 501 >LYS~B 77 83.85 56.79 62.38 88.11 56.17 65.40 85.98 56.48 63.89 2 0 32.02 -999 ? O1S MES B 503 >TYR~B 78 83.26 53.19 65.41 85.94 52.69 66.09 84.60 52.94 65.75 3 0 28.78 -999 ? O1S MES B 503 >ILE~B 79 78.12 57.13 62.28 76.85 57.39 62.82 77.48 57.26 62.55 3 0 21.71 -999 ? O1S MES B 503 >LYS^B 80 76.44 53.51 59.81 74.90 48.89 56.88 75.67 51.20 58.35 2 0 22.58 -999 ? O1S MES B 503 >THR^B 81 73.84 55.26 57.56 75.05 56.77 56.60 74.45 56.02 57.08 2 0 21.32 -999 ? O1S MES B 503 >GLY^B 82 70.97 53.97 55.31 70.64 54.47 55.85 70.81 54.22 55.58 1 0 18.79 -999 ? O1S MES B 503 >TYR^B 83 67.21 55.64 52.37 67.98 58.24 51.75 67.59 56.94 52.06 3 0 16.72 -999 ? O2S MES D 501 >ILE^B 84 66.12 51.80 58.08 67.08 50.68 58.01 66.60 51.24 58.05 3 0 14.60 -999 ? O1S MES B 503 >SER.B 85 61.62 51.46 57.38 60.93 49.45 56.26 61.27 50.46 56.82 2 0 12.65 -999 ? C3 MES B 503 >ARG.B 86 59.52 54.25 62.97 56.83 55.62 63.47 58.17 54.94 63.22 2 0 -2.86 -999 ? O3S MES B 503s >ARG.B 87 54.58 49.74 61.24 52.34 51.82 61.09 53.46 50.78 61.17 2 0 -3.91 -999 ? C3 MES B 503s >ASP.B 88 56.24 45.71 55.65 57.71 44.28 56.18 56.97 44.99 55.91 2 0 13.47 -999 ? C3 MES B 503 >GLU.B 89 51.95 48.10 56.93 51.94 47.14 58.82 51.94 47.62 57.87 2 0 7.96 -999 ? C2 MES B 503 >GLU.B 90 55.67 53.21 58.39 56.47 53.92 60.22 56.07 53.57 59.31 2 0 5.65 -999 ? O3S MES B 503 >ILE.B 91 58.23 55.39 52.68 57.22 56.46 52.29 57.72 55.93 52.49 3 0 12.37 -999 ? O3S MES B 503 >PRO.B 92 62.29 52.98 52.36 61.42 53.78 54.17 61.86 53.38 53.26 3 0 13.81 -999 ? O3S MES B 503 >VAL^B 93 63.93 56.91 55.83 62.49 57.57 57.38 63.21 57.24 56.61 3 0 11.55 -999 ? O3S MES B 503 >LEU^B 94 68.29 59.03 55.39 70.42 59.31 55.01 69.36 59.17 55.20 3 0 16.61 -999 ? O2S MES D 501 >SER^B 95 69.00 56.90 59.40 67.13 55.42 59.51 68.07 56.16 59.46 2 0 13.08 -999 ? O1S MES B 503 >ARG^B 96 73.74 60.06 62.34 74.47 62.77 63.47 74.11 61.41 62.90 2 0 19.44 -999 ? O1S MES B 503 >TRP^B 97 73.01 50.91 63.05 71.94 51.79 59.34 72.48 51.35 61.19 3 0 18.08 -999 ? O1S MES B 503 >PHE.B 98 77.08 54.17 67.40 78.26 56.69 67.87 77.67 55.43 67.63 3 0 21.64 -999 ? O1S MES B 503 >PRO.B 99 77.32 49.66 62.75 76.24 49.54 64.71 76.78 49.60 63.73 3 0 22.12 -999 ? O1S MES B 503 >SER~B 102 81.10 48.60 66.82 79.17 50.02 67.07 80.13 49.31 66.95 2 0 24.10 -999 ? O1S MES B 503 >PRO~B 103 85.02 50.00 68.11 83.04 49.58 69.10 84.03 49.79 68.60 3 0 28.92 -999 ? O1S MES B 503 >PRO~B 104 80.78 53.39 68.97 81.14 51.93 70.65 80.96 52.66 69.81 3 0 25.45 -999 ? O1S MES B 503 >ALA~B 105 78.22 49.34 71.47 77.48 48.79 70.28 77.85 49.07 70.88 2 0 23.22 -999 ? O1S MES B 503 >SER~B 106 80.59 46.74 73.05 82.88 47.61 72.90 81.73 47.18 72.97 2 0 29.11 -999 ? O1S MES B 503 >GLN~B 107 81.59 50.71 75.41 83.61 50.68 74.63 82.60 50.69 75.02 2 0 29.40 -999 ? O1S MES B 503 >LEU.B 108 76.00 49.47 75.94 76.18 51.42 74.84 76.09 50.45 75.39 3 0 22.87 -999 ? O1S MES B 503 >ILE.B 109 75.79 47.15 81.19 76.85 47.55 82.19 76.32 47.35 81.69 3 0 27.12 -999 ? O1S MES B 503 >LYS.B 110 71.58 46.96 81.24 67.76 44.80 85.14 69.67 45.88 83.19 2 0 25.24 -999 ? O1S MES B 503 >SER.B 111 69.91 50.40 81.44 67.68 50.40 80.63 68.80 50.40 81.03 2 0 19.50 -999 ? O1S MES B 503 >LYS.B 112 68.64 51.76 84.77 69.29 54.05 89.39 68.97 52.91 87.08 2 0 19.53 -999 ? C3 MES C 504 >TYR^B 113 65.34 54.69 85.03 66.33 55.80 87.40 65.84 55.25 86.21 3 0 21.67 -999 ? C3 MES C 504 >LEU^B 114 61.68 50.62 81.05 62.48 48.59 80.75 62.08 49.60 80.90 3 0 17.36 -999 ? O1S MES B 503 >ASP^B 115 61.28 56.03 78.81 59.87 57.41 77.94 60.57 56.72 78.37 2 0 12.14 -999 ? O1S MES B 503 >ILE^B 116 56.64 52.20 79.50 56.39 51.05 80.00 56.52 51.62 79.75 3 0 13.67 -999 ? C5 MES B 503 >ILE^B 117 56.26 55.79 74.72 56.90 56.84 73.97 56.58 56.32 74.34 3 0 7.99 -999 ? O1S MES B 503 >LEU^B 118 51.01 54.92 77.21 51.55 53.79 78.86 51.28 54.35 78.04 3 0 10.90 -999 ? C5 MES B 503 >TYR^B 119 50.31 56.53 71.11 52.36 57.93 69.73 51.34 57.23 70.42 3 0 -4.69 -999 ? C5 MES B 503s >SER^B 120 45.39 56.32 74.06 44.37 58.07 72.70 44.88 57.20 73.38 2 0 9.78 -999 ? C6 MES B 503 >LYS~B 121 43.17 53.55 72.79 37.92 50.93 74.95 40.54 52.24 73.87 2 0 14.97 -999 ? C6 MES B 503 >GLU~B 122 39.83 56.99 72.43 40.35 57.80 74.34 40.09 57.39 73.38 2 0 13.39 -999 ? C6 MES B 503 >GLN~B 123 47.35 58.29 68.76 47.07 59.68 67.15 47.21 58.99 67.95 2 0 7.15 -999 ? C7 MES B 503 >CYH~B 124 45.62 53.75 68.26 47.33 52.84 70.26 46.47 53.29 69.26 2 0 4.49 -999 ? C6 MES B 503 >GLU~B 125 40.39 52.44 68.41 39.01 53.28 69.76 39.70 52.86 69.08 2 0 11.80 -999 ? C6 MES B 503 >LYS~B 126 42.64 56.42 64.72 43.96 62.60 64.89 43.30 59.51 64.81 2 0 11.13 -999 ? O2S MES B 503 >GLU~B 127 47.78 56.42 64.34 49.60 56.14 65.36 48.69 56.28 64.85 2 0 -3.12 -999 ? C7 MES B 503s >SER~B 129 41.64 53.17 60.60 39.67 54.76 60.49 40.66 53.97 60.55 2 0 12.48 -999 ? C2 MES B 503 >MET?B 131 46.83 52.47 57.78 49.27 54.49 57.66 48.05 53.48 57.72 2 0 7.76 -999 ? C2 MES B 503 >CYH.B 133 46.21 47.38 59.71 46.67 49.50 61.25 46.44 48.44 60.48 2 0 6.34 -999 ? C2 MES B 503 >CYH.B 134 45.13 44.17 61.39 42.22 44.30 61.77 43.68 44.24 61.58 2 0 12.19 -999 ? O1 MES B 503 >LEU.B 135 48.95 44.36 63.88 49.92 44.52 61.88 49.43 44.44 62.88 3 0 8.19 -999 ? O1 MES B 503 >GLN.B 136 47.13 39.33 66.01 45.20 38.71 65.38 46.16 39.02 65.70 2 0 14.25 -999 ? O1 MES B 503 >ASP.B 137 46.59 44.78 70.69 46.54 46.43 69.36 46.57 45.61 70.02 2 0 7.52 -999 ? O1 MES B 503 >ILE^B 138 50.21 41.71 73.78 50.54 40.29 73.45 50.38 41.00 73.62 3 0 13.11 -999 ? O1 MES B 503 >LEU^B 139 44.66 42.05 75.79 43.42 43.50 74.61 44.04 42.78 75.20 3 0 14.40 -999 ? O1 MES B 503 >ASP.B 140 46.97 42.22 80.89 47.69 41.29 82.65 47.33 41.76 81.77 2 0 19.63 -999 ? C6 MES B 503 >ASP.B 141 44.38 37.08 81.31 45.22 35.80 79.78 44.80 36.44 80.55 2 0 21.70 -999 ? O1 MES B 503 >ARG.B 142 46.08 40.15 86.24 49.11 40.77 86.36 47.60 40.46 86.30 2 0 22.83 -999 ? C6 MES B 503 >GLU.B 143 42.70 46.35 81.49 40.85 46.55 82.49 41.78 46.45 81.99 2 0 19.26 -999 ? C6 MES B 503 >LYS.B 144 40.66 43.24 77.86 41.55 37.91 77.96 41.10 40.57 77.91 2 0 20.40 -999 ? O1 MES B 503 >ASN.B 145 38.29 47.19 77.71 37.67 49.16 77.20 37.98 48.17 77.45 2 0 16.76 -999 ? C6 MES B 503 >PRO.B 146 44.18 47.38 77.38 42.39 48.53 78.03 43.28 47.96 77.70 3 0 13.76 -999 ? C6 MES B 503 >ASP.B 147 42.23 53.85 79.03 40.39 53.54 79.93 41.31 53.69 79.48 2 0 16.35 -999 ? C6 MES B 503 >TRP^B 148 46.17 55.12 80.16 46.52 58.28 77.82 46.35 56.70 78.99 3 0 13.16 -999 ? C6 MES B 503 >TYR^B 149 46.74 50.02 73.57 44.30 48.65 73.36 45.52 49.34 73.47 3 0 8.85 -999 ? C6 MES B 503 >ILE^B 150 53.19 49.34 75.89 53.99 48.76 76.83 53.59 49.05 76.36 3 0 10.51 -999 ? C6 MES B 503 >ILE^B 151 53.05 52.94 70.96 52.89 54.01 70.60 52.97 53.47 70.78 3 0 3.86 -999 ? C5 MES B 503 >SER^B 152 57.28 51.98 72.57 58.92 53.62 71.85 58.10 52.80 72.21 2 0 7.02 -999 ? O1S MES B 503 >ILE^B 153 60.04 49.64 75.58 59.78 48.48 75.95 59.91 49.06 75.77 3 0 12.83 -999 ? C5 MES B 503 >LYS^B 154 63.15 53.10 75.66 61.58 55.03 71.09 62.36 54.06 73.38 2 0 7.48 -999 ? O1S MES B 503 >ALA^B 155 65.86 51.47 77.74 66.42 50.05 77.48 66.14 50.76 77.61 2 0 16.67 -999 ? O1S MES B 503 >GLN^B 156 65.42 55.89 79.44 64.46 57.75 78.94 64.94 56.82 79.19 2 0 15.08 -999 ? O1S MES B 503 >ASN.B 157 71.08 55.78 82.34 71.88 53.92 81.77 71.48 54.85 82.06 2 0 22.24 -999 ? O1S MES B 503 >GLU.B 158 67.45 60.24 80.57 69.14 59.46 79.58 68.30 59.85 80.08 2 0 18.69 -999 ? O1S MES B 503 >SER.B 159 64.10 59.10 84.43 64.64 59.81 86.67 64.37 59.46 85.55 2 0 20.23 -999 ? O2S MES C 504 >PHE.B 160 64.70 63.55 82.21 67.44 64.06 81.75 66.07 63.80 81.98 3 0 19.69 -999 ? O1S MES B 503 >GLU.B 161 60.07 62.39 76.46 58.41 63.55 75.81 59.24 62.97 76.14 2 0 11.49 -999 ? O2S MES B 503 >VAL.B 162 64.63 62.07 75.88 66.64 61.10 75.67 65.64 61.58 75.77 3 0 14.11 -999 ? O1S MES B 503 >PRO.B 163 65.04 65.48 73.24 63.90 63.60 73.22 64.47 64.54 73.23 3 0 13.13 -999 ? O1S MES B 503 >MET?B 164 62.15 61.81 69.75 57.99 62.55 68.71 60.07 62.18 69.23 2 0 6.13 -999 ? O2S MES B 503 >GLU~B 165 66.11 60.03 65.96 66.67 58.02 65.65 66.39 59.03 65.81 2 0 10.62 -999 ? O1S MES B 503 >PRO~B 166 65.97 65.07 64.50 64.01 63.99 64.44 64.99 64.53 64.47 3 0 11.76 -999 ? O1S MES B 503 >ILE~B 167 62.83 60.82 60.57 63.29 60.20 60.88 63.06 60.51 60.73 3 0 9.60 -999 ? O1S MES B 503 >THR~B 168 59.73 60.88 63.79 59.95 59.50 65.54 59.84 60.19 64.67 2 0 -4.63 -999 ? O1S MES B 503s >ILE~B 169 59.47 65.62 64.74 59.37 66.79 65.78 59.42 66.21 65.26 3 0 9.56 -999 ? O2S MES B 503 >LEU~B 170 59.72 64.74 59.45 60.93 66.08 58.24 60.32 65.41 58.84 3 0 11.34 -999 ? O3S MES B 503 >ARG~B 171 56.99 57.81 59.50 59.62 57.17 60.96 58.31 57.49 60.23 2 0 6.02 -999 ? O3S MES B 503 >ASN~B 172 54.51 63.02 63.90 54.82 61.49 65.35 54.66 62.26 64.63 2 0 -3.42 -999 ? O2S MES B 503s >THR.B 173 53.10 65.27 60.01 54.26 66.82 58.97 53.68 66.05 59.49 2 0 10.99 -999 ? O3S MES B 503 >LEU.B 174 52.39 62.31 56.46 53.53 63.66 55.10 52.96 62.99 55.78 3 0 10.48 -999 ? O3S MES B 503 >ILE.B 175 47.73 60.08 59.89 46.64 60.48 60.33 47.18 60.28 60.11 3 0 9.02 -999 ? C7 MES B 503 >GLU.B 177 53.19 58.99 54.43 53.21 57.42 52.98 53.20 58.20 53.70 2 0 11.52 -999 ? O3S MES B 503 >GLY.B 178 52.01 56.86 59.61 52.63 56.51 59.74 52.32 56.68 59.67 1 0 -5.51 -999 ? O3S MES B 503s >GLY.B 179 52.34 59.25 61.29 52.20 58.62 61.92 52.27 58.93 61.61 1 0 -4.37 -999 ? O3S MES B 503s >SER.B 180 50.59 60.13 64.55 51.60 61.76 66.08 51.09 60.95 65.32 2 0 -4.25 -999 ? O2S MES B 503s >GLY.B 181 49.19 63.14 62.67 49.58 63.24 63.33 49.39 63.19 63.00 1 0 7.86 -999 ? O2S MES B 503 >VAL.B 182 50.48 66.14 64.60 51.23 66.19 66.58 50.86 66.17 65.59 3 0 8.51 -999 ? O2S MES B 503 >PRO.B 183 49.15 69.99 62.79 51.06 68.81 63.08 50.11 69.40 62.94 3 0 12.28 -999 ? O2S MES B 503 >LEU.B 184 56.06 70.39 61.70 58.28 70.22 61.59 57.17 70.31 61.65 3 0 13.27 -999 ? O2S MES B 503 >LYS~B 185 56.07 72.43 65.85 52.07 71.89 70.61 54.07 72.16 68.23 2 0 14.29 -999 ? O2S MES B 503 >ARG~B 186 59.45 76.43 61.72 62.12 77.23 60.35 60.79 76.83 61.03 2 0 13.17 -999 ? C5 MES D 501 >GLU~B 187 58.38 74.65 70.07 56.71 74.74 68.73 57.54 74.70 69.40 2 0 16.74 -999 ? O2S MES B 503 >LYS~B 188 59.88 70.64 69.07 55.38 67.50 68.31 57.63 69.07 68.69 2 0 9.41 -999 ? O2S MES B 503 >TYR~B 189 62.23 69.65 63.44 63.78 68.43 61.45 63.00 69.04 62.45 3 0 14.38 -999 ? O1S MES B 503 >LEU~B 190 64.75 73.58 66.56 64.85 74.56 64.55 64.80 74.07 65.55 3 0 17.96 -999 ? O2S MES D 501 >GLU~B 191 64.08 70.03 72.66 62.33 69.97 73.88 63.20 70.00 73.27 2 0 16.03 -999 ? O2S MES B 503 >SER~B 192 65.07 67.29 68.97 64.14 65.69 67.25 64.61 66.49 68.11 2 0 11.82 -999 ? O1S MES B 503 >VAL~B 193 67.82 68.27 66.42 67.99 69.17 64.34 67.90 68.72 65.38 3 0 16.62 -999 ? O1S MES B 503 >GLU~B 194 70.60 71.60 70.86 71.60 72.85 69.51 71.10 72.22 70.19 2 0 22.33 -999 ? O1S MES B 503 >PHE~B 195 68.89 64.47 72.44 69.47 62.04 73.86 69.18 63.26 73.15 3 0 15.96 -999 ? O1S MES B 503 >TRP~B 196 66.88 63.32 68.47 67.95 59.71 69.54 67.41 61.51 69.01 3 0 12.42 -999 ? O1S MES B 503 >LYS~B 197 72.96 65.98 66.35 74.52 71.53 67.73 73.74 68.76 67.04 2 0 23.45 -999 ? O1S MES B 503 >GLU.B 198 74.57 66.05 71.13 74.05 68.11 71.36 74.31 67.08 71.24 2 0 21.65 -999 ? O1S MES B 503 >HIS^B 199 72.88 62.25 72.19 73.27 63.61 73.74 73.08 62.93 72.97 3 0 19.11 -999 ? O1S MES B 503 >ALA^B 200 72.88 58.11 67.97 73.97 57.82 66.92 73.42 57.96 67.44 2 0 17.87 -999 ? O1S MES B 503 >ILE^B 201 69.48 54.63 68.18 68.74 54.34 67.60 69.11 54.48 67.89 3 0 13.32 -999 ? O1S MES B 503 >VAL.B 202 72.69 51.58 68.96 74.28 51.21 70.44 73.49 51.40 69.70 3 0 18.56 -999 ? O1S MES B 503 >SER.B 203 71.51 48.72 66.75 71.14 47.54 64.71 71.32 48.13 65.73 2 0 17.85 -999 ? O1S MES B 503 >SER.B 204 70.11 45.37 67.81 71.17 43.17 67.81 70.64 44.27 67.81 2 0 20.52 -999 ? O1S MES B 503 >SER.C 0 64.74 59.78 130.25 66.08 59.30 132.25 65.41 59.54 131.25 2 0 23.16 -999 ? C6 MES C 504 >LEU.C 2 68.75 55.74 126.07 69.22 55.34 128.17 68.99 55.54 127.12 3 0 19.48 -999 ? C6 MES C 504 >LEU.C 3 69.16 58.83 121.86 68.96 60.86 122.36 69.06 59.84 122.11 3 0 13.87 -999 ? C6 MES C 504 >GLY^C 4 68.31 56.06 118.91 68.41 56.77 118.95 68.36 56.41 118.93 1 0 11.69 -999 ? O1 MES C 504 >VAL^C 5 70.07 56.56 115.63 72.17 56.43 115.30 71.12 56.50 115.47 3 0 10.07 -999 ? O1 MES C 504 >ASN.C 6 66.96 58.38 112.42 65.71 58.19 110.70 66.34 58.29 111.56 2 0 -3.26 -999 ? O1 MES C 504s >SER~C 7 69.10 55.53 109.45 67.17 55.36 108.02 68.13 55.44 108.74 2 0 5.81 -999 ? C2 MES C 504 >PHE~C 8 68.75 61.38 107.20 69.16 63.63 105.63 68.95 62.50 106.41 3 0 -3.61 -999 ? C3 MES C 504s >ALA~C 9 72.51 59.64 110.33 72.32 59.76 111.87 72.42 59.70 111.10 2 0 8.10 -999 ? O1 MES C 504 >LEU~C 10 73.68 55.19 108.77 73.05 53.81 110.34 73.37 54.50 109.56 3 0 10.50 -999 ? O1 MES C 504 >ARG~C 11 72.59 59.93 104.16 72.69 62.93 104.87 72.64 61.43 104.52 2 0 7.47 -999 ? C8 MES C 504 >GLN~C 12 76.26 62.25 109.12 75.99 63.89 110.47 76.13 63.07 109.79 2 0 10.45 -999 ? O3S MES C 504 >PHE~C 13 79.11 56.77 111.57 78.29 57.69 114.06 78.70 57.23 112.82 3 0 14.79 -999 ? O1 MES C 504 >VAL~C 14 81.09 57.00 105.57 79.80 55.94 104.04 80.45 56.47 104.81 3 0 16.17 -999 ? C3 MES C 504 >GLU.C 15 86.72 59.61 104.60 88.74 59.03 104.03 87.73 59.32 104.32 2 0 23.70 -999 ? C3 MES C 504 >GLY.C 16 83.25 61.35 101.75 82.90 61.34 102.47 83.07 61.35 102.11 1 0 18.38 -999 ? O3S MES C 504 >TYR.C 17 78.74 62.99 105.74 76.49 64.52 106.34 77.61 63.75 106.04 3 0 11.51 -999 ? O3S MES C 504 >ARG.C 18 80.25 67.58 100.14 81.48 65.98 97.84 80.86 66.78 98.99 2 0 17.41 -999 ? O3S MES C 504 >GLY.C 19 79.94 67.74 106.43 80.44 67.04 106.32 80.19 67.39 106.37 1 0 13.13 -999 ? O3S MES C 504 >SER.C 20 80.72 66.25 109.81 79.92 67.99 111.31 80.32 67.12 110.56 2 0 13.76 -999 ? O3S MES C 504 >TYR.C 21 84.07 61.28 108.05 85.29 58.75 108.08 84.68 60.02 108.06 3 0 19.43 -999 ? C3 MES C 504 >ILE.C 22 81.33 60.16 113.18 80.37 60.21 113.86 80.85 60.18 113.52 3 0 16.65 -999 ? O1 MES C 504 >PRO.C 23 86.84 60.59 112.86 85.27 59.17 112.05 86.06 59.88 112.46 3 0 21.41 -999 ? O3S MES C 504 >ARG.C 24 90.24 56.75 112.64 90.72 58.78 110.37 90.48 57.76 111.50 2 0 25.69 -999 ? O3S MES C 504 >MET?C 25 83.83 54.47 115.28 82.47 57.02 118.60 83.15 55.75 116.94 2 0 20.48 -999 ? O1 MES C 504 >SER~C 26 80.62 52.49 114.55 79.88 50.91 116.25 80.25 51.70 115.40 2 0 19.39 -999 ? O1 MES C 504 >PRO~C 27 76.66 52.90 112.79 77.78 53.82 114.55 77.22 53.36 113.67 3 0 15.15 -999 ? O1 MES C 504 >TYR~C 28 75.75 49.62 118.90 74.55 48.57 121.24 75.15 49.10 120.07 3 0 19.17 -999 ? O1 MES C 504 >GLU~C 29 82.13 53.21 119.76 83.10 52.44 121.47 82.62 52.83 120.62 2 0 23.69 -999 ? O1 MES C 504 >PHE~C 30 78.02 58.49 117.55 77.65 61.27 117.78 77.83 59.88 117.67 3 0 15.74 -999 ? O1 MES C 504 >LEU~C 31 74.00 55.00 119.69 71.94 55.09 120.31 72.97 55.05 120.00 3 0 14.96 -999 ? O1 MES C 504 >ARG~C 32 78.16 50.90 124.64 78.08 48.02 123.54 78.12 49.46 124.09 2 0 23.52 -999 ? O1 MES C 504 >ASN~C 33 80.02 57.42 123.47 81.58 56.01 123.47 80.80 56.72 123.47 2 0 22.74 -999 ? O1 MES C 504 >VAL~C 34 76.04 59.48 123.64 75.04 60.57 121.95 75.54 60.02 122.79 3 0 17.65 -999 ? O1 MES C 504 >ASN~C 35 72.93 56.22 125.60 71.41 56.37 124.12 72.17 56.30 124.86 2 0 17.26 -999 ? O1 MES C 504 >ASN~C 36 77.67 56.34 128.46 77.54 54.22 128.08 77.61 55.28 128.27 2 0 24.00 -999 ? O1 MES C 504 >TYR~C 37 77.44 63.24 127.75 77.89 65.97 128.34 77.67 64.61 128.04 3 0 23.05 -999 ? C5 MES C 504 >ILE~C 38 71.89 60.87 128.05 70.80 61.07 127.19 71.35 60.97 127.62 3 0 19.72 -999 ? C6 MES C 504 >ILE~C 39 73.01 57.42 132.08 72.58 56.15 132.05 72.80 56.79 132.07 3 0 24.86 -999 ? C6 MES C 504 >GLU~C 40 77.87 58.88 133.06 79.76 58.56 132.21 78.82 58.72 132.63 2 0 27.87 -999 ? O1 MES C 504 >ASN~C 41 76.48 64.67 131.76 78.52 64.09 131.99 77.50 64.38 131.87 2 0 26.80 -999 ? C5 MES C 504 >ASN~C 42 71.25 65.41 133.90 69.14 65.80 133.84 70.19 65.61 133.87 2 0 25.35 -999 ? C5 MES C 504 >PRO.C 43 72.59 65.36 128.21 72.28 66.80 129.92 72.44 66.08 129.06 3 0 21.67 -999 ? C5 MES C 504 >THR.C 44 69.84 70.17 128.64 69.65 72.31 129.15 69.75 71.24 128.89 2 0 22.52 -999 ? O1S MES C 504 >LEU.C 45 66.30 68.23 126.20 65.92 66.47 125.08 66.11 67.35 125.64 3 0 17.21 -999 ? C5 MES C 504 >VAL^C 46 67.21 72.31 123.65 68.92 73.72 123.55 68.06 73.01 123.60 3 0 17.19 -999 ? O1S MES C 504 >ASP^C 47 63.24 74.17 121.65 61.66 73.46 122.88 62.45 73.82 122.26 2 0 16.56 -999 ? O1S MES C 504 >GLY.C 48 65.01 73.10 117.56 64.28 73.38 117.85 64.64 73.24 117.70 1 0 11.40 -999 ? O1S MES C 504 >TYR.C 49 63.43 73.58 112.34 62.94 71.31 110.83 63.19 72.45 111.59 3 0 6.61 -999 ? O1S MES C 504 >ALA.C 50 59.99 72.77 115.19 59.75 71.93 113.90 59.87 72.35 114.54 2 0 9.08 -999 ? O1S MES C 504 >ASP.C 51 56.90 70.93 118.58 55.51 69.86 117.33 56.21 70.39 117.95 2 0 13.38 -999 ? O1S MES C 504 >PHE.C 52 59.15 67.59 114.26 59.65 69.07 111.90 59.40 68.33 113.08 3 0 7.45 -999 ? O1S MES C 504 >CYH^C 53 63.19 68.56 116.74 65.33 69.70 115.32 64.26 69.13 116.03 2 0 7.95 -999 ? O1S MES C 504 >LYS^C 54 65.61 68.93 119.70 60.99 69.99 122.74 63.30 69.46 121.22 2 0 15.59 -999 ? O1S MES C 504 >HIS^C 55 69.59 71.15 118.46 69.19 71.84 116.51 69.39 71.49 117.49 3 0 11.37 -999 ? O3S MES C 504 >ILE^C 56 71.91 66.69 123.27 71.60 65.76 124.54 71.75 66.23 123.91 3 0 16.75 -999 ? C5 MES C 504 >PHE^C 57 74.49 72.11 122.00 72.68 73.38 120.26 73.58 72.74 121.13 3 0 16.39 -999 ? O3S MES C 504 >ILE^C 58 77.68 66.11 123.78 77.12 64.84 124.36 77.40 65.47 124.07 3 0 19.82 -999 ? C5 MES C 504 >PRO^C 59 81.51 68.06 126.72 81.13 67.84 124.49 81.32 67.95 125.60 3 0 23.50 -999 ? O3S MES C 504 >ASN.C 60 83.68 66.65 120.02 84.12 65.26 118.51 83.90 65.95 119.26 2 0 20.85 -999 ? O3S MES C 504 >PHE.C 61 82.23 61.22 122.63 79.75 60.53 121.50 80.99 60.88 122.06 3 0 20.89 -999 ? O1 MES C 504 >THR.C 62 85.17 61.52 118.64 83.30 61.98 117.53 84.23 61.75 118.09 2 0 20.29 -999 ? O3S MES C 504 >ALA.C 64 85.39 64.48 114.11 83.89 64.40 114.31 84.64 64.44 114.21 2 0 18.80 -999 ? O3S MES C 504 >LYS.C 65 86.80 67.74 112.72 91.74 66.42 109.06 89.27 67.08 110.89 2 0 25.02 -999 ? O3S MES C 504 >GLN.C 66 85.69 73.77 112.05 86.98 75.47 112.10 86.33 74.62 112.08 2 0 22.19 -999 ? O3S MES C 504 >SER.C 67 83.27 70.97 109.22 80.89 70.41 108.94 82.08 70.69 109.08 2 0 14.46 -999 ? O3S MES C 504 >ILE^C 68 81.12 75.21 109.16 79.90 75.53 109.35 80.51 75.37 109.25 3 0 15.87 -999 ? O3S MES C 504 >VAL^C 69 84.68 77.46 107.33 86.52 77.38 106.03 85.60 77.42 106.68 3 0 21.18 -999 ? O3S MES C 504 >LYS^C 70 84.17 81.22 106.94 82.78 86.75 107.75 83.48 83.99 107.35 2 0 24.92 -999 ? O3S MES C 504 >ILE.C 71 83.36 82.21 102.14 82.65 81.50 100.96 83.01 81.85 101.55 3 0 22.25 -999 ? O3S MES C 504 >THR.C 72 86.92 85.14 102.69 88.65 84.53 103.82 87.79 84.83 103.25 2 0 27.80 -999 ? O3S MES C 504 >ASN.C 73 88.71 88.38 99.52 87.10 89.74 99.02 87.90 89.06 99.27 2 0 30.76 -999 ? O2S MES A 502 >ASN~C 75 89.69 80.54 101.47 87.97 81.07 102.60 88.83 80.80 102.03 2 0 25.46 -999 ? O3S MES C 504 >GLU~C 76 85.85 83.30 96.03 84.54 84.89 95.76 85.19 84.10 95.89 2 0 26.69 -999 ? O2S MES A 502 >LYS~C 77 88.89 80.42 94.88 92.49 82.28 93.48 90.69 81.35 94.18 2 0 32.54 -999 ? O3S MES C 504 >TYR~C 78 91.11 77.11 97.61 93.77 77.96 97.29 92.44 77.54 97.45 3 0 29.11 -999 ? O3S MES C 504 >ILE~C 79 83.94 77.89 96.57 82.93 77.72 97.69 83.44 77.81 97.13 3 0 21.89 -999 ? O3S MES C 504 >LYS^C 80 83.53 73.79 94.41 83.37 68.66 92.47 83.45 71.22 93.44 2 0 22.11 -999 ? O3S MES C 504 >THR^C 81 79.92 73.80 93.10 79.85 75.72 91.98 79.88 74.76 92.54 2 0 21.54 -999 ? O3S MES C 504 >GLY^C 82 77.47 71.15 91.86 77.09 71.52 92.46 77.28 71.34 92.16 1 0 18.76 -999 ? O2S MES C 504 >TYR^C 83 72.57 70.69 90.47 71.61 73.21 89.74 72.09 71.95 90.11 3 0 17.34 -999 ? O2S MES A 502 >ILE^C 84 75.59 66.52 95.57 76.28 65.31 94.91 75.94 65.91 95.24 3 0 14.95 -999 ? O2S MES C 504 >SER.C 85 71.62 64.52 96.50 70.34 63.56 94.66 70.98 64.04 95.58 2 0 12.57 -999 ? O2S MES C 504 >ARG.C 86 70.18 66.60 102.59 67.53 66.43 104.11 68.86 66.51 103.35 2 0 -2.92 -999 ? O2S MES C 504s >ARG.C 87 67.76 60.10 101.99 65.09 60.95 103.18 66.42 60.53 102.58 2 0 3.79 -999 ? C3 MES C 504 >ASP.C 88 69.27 56.63 96.47 71.09 55.77 95.78 70.18 56.20 96.12 2 0 13.89 -999 ? C3 MES C 504 >GLU.C 89 65.05 58.37 99.21 66.24 56.68 99.59 65.64 57.52 99.40 2 0 8.78 -999 ? C2 MES C 504 >GLU.C 90 66.50 63.27 99.41 67.29 64.69 100.68 66.89 63.98 100.04 2 0 5.87 -999 ? O2S MES C 504 >ILE.C 91 65.36 66.08 93.28 64.11 66.72 93.18 64.74 66.40 93.23 3 0 12.24 -999 ? O2S MES C 504 >PRO.C 92 69.93 65.68 91.49 69.24 66.46 93.49 69.58 66.07 92.49 3 0 13.76 -999 ? O2S MES C 504 >VAL^C 93 70.35 70.35 94.79 69.63 70.97 96.78 69.99 70.66 95.78 3 0 11.32 -999 ? O2S MES C 504 >LEU^C 94 72.53 74.54 93.24 74.07 75.80 92.09 73.30 75.17 92.67 3 0 16.87 -999 ? O2S MES A 502 >SER^C 95 75.54 73.14 96.55 74.43 70.95 97.04 74.98 72.05 96.79 2 0 13.05 -999 ? O3S MES C 504 >ARG^C 96 78.97 78.46 97.99 78.42 81.25 99.14 78.69 79.86 98.56 2 0 19.58 -999 ? O3S MES C 504 >TRP^C 97 83.04 70.40 98.02 80.21 70.28 95.25 81.62 70.34 96.64 3 0 18.33 -999 ? O3S MES C 504 >PHE^C 98 86.11 75.35 101.36 85.91 78.11 101.35 86.01 76.73 101.35 3 0 22.00 -999 ? O3S MES C 504 >PRO.C 99 86.76 70.93 96.79 86.69 70.60 99.03 86.72 70.77 97.91 3 0 22.15 -999 ? O3S MES C 504 >LYS.C 100 88.88 67.79 101.51 87.67 67.24 105.63 88.27 67.51 103.57 2 0 20.89 -999 ? O3S MES C 504 >ASP.C 101 92.52 68.07 98.36 91.41 66.29 97.85 91.96 67.18 98.10 2 0 26.30 -999 ? O3S MES C 504 >SER~C 102 91.86 72.40 99.64 89.61 72.95 100.55 90.74 72.68 100.10 2 0 24.31 -999 ? O3S MES C 504 >PRO~C 103 95.07 75.41 99.79 93.74 74.36 101.24 94.40 74.89 100.51 3 0 29.27 -999 ? O3S MES C 504 >PRO~C 104 90.14 76.99 102.00 91.40 75.79 103.35 90.77 76.39 102.68 3 0 25.88 -999 ? O3S MES C 504 >ALA~C 105 90.45 72.22 104.90 89.64 71.28 103.96 90.05 71.75 104.43 2 0 23.32 -999 ? O3S MES C 504 >SER~C 106 94.11 71.32 105.62 95.42 73.10 104.66 94.76 72.21 105.14 2 0 29.22 -999 ? O3S MES C 504 >GLN~C 107 93.28 75.51 107.77 94.07 77.24 106.69 93.67 76.38 107.23 2 0 28.89 -999 ? O3S MES C 504 >LEU.C 108 89.83 71.60 109.80 88.44 72.96 108.78 89.13 72.28 109.29 3 0 22.89 -999 ? O3S MES C 504 >ILE.C 109 92.28 70.26 114.79 93.24 71.17 115.42 92.76 70.71 115.10 3 0 27.32 -999 ? O3S MES C 504 >LYS.C 110 88.91 67.99 116.13 88.31 64.50 121.39 88.61 66.24 118.76 2 0 25.99 -999 ? O3S MES C 504 >SER.C 111 85.89 70.18 116.98 83.71 69.15 116.78 84.80 69.66 116.88 2 0 19.52 -999 ? O3S MES C 504 >LYS.C 112 85.13 71.22 120.58 88.91 73.20 123.01 87.02 72.21 121.79 2 0 27.78 -999 ? O3S MES C 504 >TYR^C 113 80.92 72.24 122.03 81.67 74.23 123.85 81.29 73.24 122.94 3 0 22.17 -999 ? O3S MES C 504 >LEU^C 114 78.86 66.41 119.13 80.42 65.16 118.32 79.64 65.79 118.73 3 0 17.40 -999 ? O3S MES C 504 >ASP^C 115 75.01 70.51 117.32 72.88 70.82 117.39 73.94 70.67 117.36 2 0 12.36 -999 ? O3S MES C 504 >ILE^C 116 73.52 65.08 119.40 74.03 64.09 120.02 73.78 64.58 119.71 3 0 14.08 -999 ? C5 MES C 504 >ILE^C 117 70.04 67.37 115.03 69.98 68.34 114.13 70.01 67.86 114.58 3 0 8.12 -999 ? O3S MES C 504 >LEU^C 118 66.67 64.58 118.95 67.97 63.90 120.51 67.32 64.24 119.73 3 0 11.07 -999 ? C5 MES C 504 >TYR^C 119 63.72 64.71 113.30 64.13 66.79 111.47 63.92 65.75 112.39 3 0 -4.36 -999 ? C5 MES C 504s >SER^C 120 60.66 62.65 117.50 58.41 63.03 116.57 59.54 62.84 117.03 2 0 9.32 -999 ? C6 MES C 504 >LYS~C 121 59.69 59.03 116.98 56.50 54.62 119.89 58.10 56.82 118.43 2 0 14.83 -999 ? C6 MES C 504 >GLU~C 122 54.49 61.19 116.99 52.96 62.72 117.16 53.72 61.95 117.08 2 0 13.66 -999 ? C6 MES C 504 >GLN~C 123 59.79 64.51 112.01 58.37 65.42 110.73 59.08 64.97 111.37 2 0 6.98 -999 ? C6 MES C 504 >CYH~C 124 60.64 59.85 111.88 63.11 60.01 113.16 61.87 59.93 112.52 2 0 4.33 -999 ? C6 MES C 504 >GLU~C 125 56.79 56.05 113.29 55.98 56.15 115.29 56.38 56.10 114.29 2 0 11.51 -999 ? C6 MES C 504 >LYS~C 126 55.72 60.31 109.39 54.23 66.37 108.78 54.98 63.34 109.08 2 0 10.39 -999 ? O1S MES C 504 >GLU~C 127 59.90 63.00 107.34 61.76 63.85 107.87 60.83 63.42 107.61 2 0 -3.02 -999 ? C7 MES C 504s >SER~C 129 55.84 56.44 105.53 54.33 57.42 107.17 55.08 56.93 106.35 2 0 10.87 -999 ? C6 MES C 504 >ILE~C 130 55.93 60.75 103.22 55.39 62.00 103.32 55.66 61.38 103.27 3 0 10.09 -999 ? C7 MES C 504 >MET?C 131 59.30 58.17 101.41 60.99 61.11 100.44 60.14 59.64 100.93 2 0 7.78 -999 ? C3 MES C 504 >ASN~C 132 58.54 54.07 100.32 56.54 54.56 100.04 57.54 54.32 100.18 2 0 12.66 -999 ? C2 MES C 504 >LEU.C 135 68.24 52.26 106.11 68.95 51.72 104.21 68.59 51.99 105.15 3 0 9.66 -999 ? C2 MES C 504 >GLN.C 136 69.01 48.21 111.27 69.20 46.14 111.85 69.11 47.17 111.56 2 0 15.47 -999 ? O1 MES C 504 >ASP.C 137 66.42 52.64 113.45 65.28 54.06 112.40 65.85 53.35 112.93 2 0 7.57 -999 ? O1 MES C 504 >ILE.C 138 71.88 52.21 115.26 72.62 51.10 114.83 72.25 51.65 115.04 3 0 13.23 -999 ? O1 MES C 504 >LEU.C 139 67.88 49.89 118.85 65.94 50.55 118.03 66.91 50.22 118.44 3 0 14.41 -999 ? O1 MES C 504 >ASP.C 140 70.80 52.05 123.17 72.37 51.82 124.66 71.59 51.94 123.92 2 0 19.70 -999 ? O1 MES C 504 >ASP.C 141 71.62 46.63 124.27 71.50 44.67 123.58 71.56 45.65 123.92 2 0 22.81 -999 ? O1 MES C 504 >ARG.C 142 72.16 51.04 128.76 74.51 52.89 128.03 73.33 51.96 128.40 2 0 22.92 -999 ? O1 MES C 504 >GLU.C 143 65.12 53.47 124.83 63.42 52.61 125.79 64.27 53.04 125.31 2 0 18.84 -999 ? C6 MES C 504 >ASN.C 145 60.36 51.54 122.35 58.73 52.26 121.11 59.54 51.90 121.73 2 0 16.04 -999 ? C6 MES C 504 >PRO.C 146 64.61 54.92 120.19 63.16 54.85 121.89 63.88 54.89 121.04 3 0 13.58 -999 ? C6 MES C 504 >ASP.C 147 60.64 59.42 123.24 59.64 58.19 124.64 60.14 58.80 123.94 2 0 16.35 -999 ? C6 MES C 504 >TRP^C 148 62.75 62.24 122.79 61.49 65.35 120.72 62.12 63.79 121.75 3 0 12.78 -999 ? C6 MES C 504 >TYR^C 149 64.84 57.67 116.43 63.60 55.19 116.86 64.22 56.43 116.64 3 0 9.01 -999 ? O1 MES C 504 >ILE^C 150 70.97 60.51 116.62 72.29 60.63 117.29 71.63 60.57 116.95 3 0 10.62 -999 ? O1 MES C 504 >ILE^C 151 67.84 63.03 112.06 67.27 63.82 111.91 67.56 63.43 111.98 3 0 4.11 -999 ? C5 MES C 504 >SER^C 152 72.18 64.61 112.33 72.42 66.83 111.12 72.30 65.72 111.72 2 0 6.93 -999 ? O3S MES C 504 >ILE^C 153 76.44 64.12 114.33 76.62 63.10 114.74 76.53 63.61 114.53 3 0 12.86 -999 ? O3S MES C 504 >LYS^C 154 77.33 68.65 113.68 74.00 69.22 109.50 75.66 68.93 111.59 2 0 7.73 -999 ? O3S MES C 504 >ALA^C 155 81.00 68.82 114.67 82.04 67.95 113.97 81.52 68.39 114.32 2 0 16.69 -999 ? O3S MES C 504 >GLN^C 156 78.84 72.60 116.55 76.91 73.56 116.36 77.87 73.08 116.46 2 0 14.92 -999 ? O3S MES C 504 >ASN.C 157 84.40 75.65 117.46 85.97 74.40 116.79 85.19 75.03 117.12 2 0 22.50 -999 ? O3S MES C 504 >GLU.C 158 78.59 77.55 117.73 79.57 76.69 116.07 79.08 77.12 116.90 2 0 18.03 -999 ? O3S MES C 504 >SER.C 159 77.74 75.22 121.93 77.55 76.49 123.98 77.64 75.86 122.96 2 0 21.88 -999 ? O3S MES C 504 >PHE.C 160 75.18 78.95 119.75 76.84 80.70 118.36 76.01 79.82 119.05 3 0 19.39 -999 ? O3S MES C 504 >GLU.C 161 70.44 75.80 115.58 68.36 75.46 115.54 69.40 75.63 115.56 2 0 11.62 -999 ? O3S MES C 504 >VAL.C 162 74.21 77.07 113.82 76.21 76.60 112.85 75.21 76.83 113.33 3 0 13.92 -999 ? O3S MES C 504 >PRO.C 163 72.10 80.17 111.34 72.09 77.95 111.62 72.09 79.06 111.48 3 0 13.33 -999 ? O3S MES C 504 >MET?C 164 70.65 75.10 108.71 66.51 73.62 108.91 68.58 74.36 108.81 2 0 6.27 -999 ? O3S MES C 504 >GLU~C 165 73.76 75.01 104.01 74.78 73.37 103.15 74.27 74.19 103.58 2 0 10.58 -999 ? O3S MES C 504 >PRO~C 166 70.41 79.44 102.97 69.50 77.47 103.35 69.95 78.45 103.16 3 0 11.94 -999 ? O3S MES C 504 >ILE~C 167 69.28 73.95 99.74 68.90 73.51 99.16 69.09 73.73 99.45 3 0 9.63 -999 ? O2S MES C 504 >THR~C 168 67.35 72.54 103.65 68.65 71.59 105.05 68.00 72.06 104.35 2 0 4.82 -999 ? O3S MES C 504 >ILE~C 169 64.95 76.57 105.11 64.96 77.63 106.10 64.96 77.10 105.61 3 0 9.77 -999 ? O2S MES C 504 >LEU~C 170 64.01 75.67 99.93 64.04 77.55 98.94 64.02 76.61 99.44 3 0 11.09 -999 ? O2S MES C 504 >ARG~C 171 65.59 68.29 100.35 68.54 69.09 100.89 67.07 68.69 100.62 2 0 5.97 -999 ? O2S MES C 504 >ASN~C 172 61.95 71.89 105.56 63.47 70.83 106.62 62.71 71.36 106.09 2 0 -3.98 -999 ? O1S MES C 504s >THR~C 173 58.44 72.74 102.50 58.88 74.61 101.44 58.66 73.67 101.97 2 0 10.37 -999 ? O2S MES C 504 >LEU~C 174 58.80 69.59 99.03 58.25 70.94 97.30 58.53 70.26 98.17 3 0 10.23 -999 ? O2S MES C 504 >ILE~C 175 56.71 65.98 103.57 56.02 65.23 104.36 56.36 65.60 103.97 3 0 8.80 -999 ? C7 MES C 504 >GLU~C 176 55.68 63.54 98.23 53.86 64.14 98.89 54.77 63.84 98.56 2 0 13.38 -999 ? C7 MES C 504 >GLU~C 177 59.92 66.86 96.63 59.97 65.68 94.88 59.95 66.27 95.76 2 0 11.85 -999 ? O2S MES C 504 >GLY~C 178 61.67 65.46 101.56 62.47 65.24 101.56 62.07 65.35 101.56 1 0 5.50 -999 ? O2S MES C 504 >GLY.C 179 61.16 67.36 103.64 61.54 66.83 104.14 61.35 67.09 103.89 1 0 -4.33 -999 ? O2S MES C 504s >SER.C 180 60.05 67.23 107.26 60.81 69.31 108.27 60.43 68.27 107.77 2 0 -4.31 -999 ? O1S MES C 504s >GLY.C 181 58.22 69.41 106.10 57.65 69.31 106.69 57.93 69.36 106.40 1 0 6.92 -999 ? O1S MES C 504 >VAL.C 182 57.40 72.88 107.39 58.01 73.14 109.46 57.70 73.01 108.42 3 0 9.00 -999 ? O1S MES C 504 >PRO.C 183 54.59 75.94 107.67 56.04 75.34 106.07 55.31 75.64 106.87 3 0 12.55 -999 ? O1S MES C 504 >LEU.C 184 59.24 78.81 103.61 60.83 80.10 102.88 60.03 79.46 103.25 3 0 13.32 -999 ? O2S MES C 504 >LYS~C 185 59.53 81.10 107.60 59.02 79.31 113.52 59.27 80.21 110.56 2 0 14.49 -999 ? O1S MES C 504 >ARG~C 186 59.30 87.14 103.67 60.65 88.80 101.42 59.97 87.97 102.54 2 0 13.13 -999 ? C5 MES A 502 >TYR~C 189 65.06 81.49 103.41 66.44 81.18 101.03 65.75 81.33 102.22 3 0 14.38 -999 ? O2S MES C 504 >LEU~C 190 66.16 86.46 106.00 65.17 87.39 104.24 65.66 86.92 105.12 3 0 17.74 -999 ? O2S MES A 502 >GLU~C 191 67.49 84.79 111.37 66.75 83.96 113.22 67.12 84.38 112.30 2 0 17.45 -999 ? O3S MES C 504 >SER~C 192 70.19 81.27 107.50 69.96 79.44 106.00 70.08 80.36 106.75 2 0 12.28 -999 ? O3S MES C 504 >VAL~C 193 71.15 83.24 104.33 70.32 84.14 102.50 70.74 83.69 103.41 3 0 16.95 -999 ? O3S MES C 504 >GLU~C 194 72.93 88.33 107.02 73.09 88.75 104.88 73.01 88.54 105.95 2 0 21.98 -999 ? O2S MES A 502 >PHE~C 195 75.89 80.90 109.40 77.96 79.19 110.32 76.92 80.05 109.86 3 0 16.25 -999 ? O3S MES C 504 >TRP~C 196 73.68 78.48 106.44 76.60 75.83 106.45 75.14 77.16 106.44 3 0 12.67 -999 ? O3S MES C 504 >LYS~C 197 76.70 83.76 102.71 72.78 88.60 101.91 74.74 86.18 102.31 2 0 19.72 -999 ? O2S MES A 502 >GLU.C 198 79.71 86.13 105.10 78.10 86.69 106.34 78.90 86.41 105.72 2 0 22.16 -999 ? O3S MES C 504 >HIS^C 199 80.02 80.69 107.72 80.40 82.13 109.20 80.21 81.41 108.46 3 0 19.26 -999 ? O3S MES C 504 >ALA^C 200 80.79 76.74 103.42 81.56 76.80 102.11 81.18 76.77 102.77 2 0 18.06 -999 ? O3S MES C 504 >ILE^C 201 79.81 71.93 104.46 78.57 71.44 103.66 79.19 71.68 104.06 3 0 13.36 -999 ? O3S MES C 504 >VAL^C 202 84.16 71.25 104.26 86.13 71.71 105.03 85.14 71.48 104.65 3 0 18.88 -999 ? O3S MES C 504 >SER.C 203 83.73 67.91 102.52 83.69 66.29 100.72 83.71 67.10 101.62 2 0 18.08 -999 ? O3S MES C 504 >SER.C 204 84.62 64.42 103.73 86.27 62.70 103.17 85.45 63.56 103.45 2 0 20.44 -999 ? O3S MES C 504 >LEU.D 2 65.78 84.53 27.76 66.76 84.97 25.89 66.27 84.75 26.83 3 0 19.52 -999 ? C2 MES D 501 >LEU.D 3 66.18 81.18 31.93 65.88 79.08 31.23 66.03 80.13 31.58 3 0 13.88 -999 ? C3 MES D 501 >GLY^D 4 65.88 84.26 34.93 65.93 83.41 34.88 65.90 83.83 34.91 1 0 12.03 -999 ? C2 MES D 501 >VAL^D 5 67.69 83.05 38.07 69.85 82.45 37.99 68.77 82.75 38.03 3 0 10.41 -999 ? O1 MES D 501 >ASN.D 6 64.81 81.35 41.60 63.70 81.60 43.40 64.25 81.48 42.50 2 0 -3.37 -999 ? O1 MES D 501s >SER~D 7 67.56 83.68 44.43 65.89 84.29 46.19 66.72 83.98 45.31 2 0 5.74 -999 ? O1 MES D 501 >PHE~D 8 66.61 77.77 46.50 66.86 75.58 48.24 66.73 76.68 47.37 3 0 -3.71 -999 ? C5 MES D 501s >ALA~D 9 70.35 79.01 43.13 70.15 78.93 41.58 70.25 78.97 42.36 2 0 8.46 -999 ? C3 MES D 501 >LEU~D 10 72.28 83.25 44.66 71.72 84.85 43.40 72.00 84.05 44.03 3 0 10.50 -999 ? O1 MES D 501 >ARG~D 11 70.99 78.23 49.22 70.59 75.34 48.24 70.79 76.79 48.73 2 0 7.84 -999 ? C5 MES D 501 >GLN~D 12 73.59 75.89 43.71 72.98 74.42 42.33 73.28 75.16 43.02 2 0 10.44 -999 ? O3S MES D 501 >PHE~D 13 76.79 81.06 41.53 75.43 80.40 39.24 76.11 80.73 40.39 3 0 14.52 -999 ? O1 MES D 501 >VAL~D 14 79.39 80.00 47.07 78.74 81.17 48.74 79.06 80.58 47.91 3 0 16.27 -999 ? C5 MES D 501 >GLU.D 15 84.56 76.68 47.46 86.67 77.08 47.56 85.62 76.88 47.51 2 0 23.57 -999 ? C5 MES D 501 >GLY.D 16 81.21 75.06 50.36 80.74 75.17 49.74 80.97 75.11 50.05 1 0 18.37 -999 ? O3S MES D 501 >TYR.D 17 75.96 74.46 47.16 73.53 73.49 46.51 74.75 73.97 46.83 3 0 11.37 -999 ? O3S MES D 501 >ARG.D 18 77.12 69.59 52.56 79.32 70.31 54.51 78.22 69.95 53.53 2 0 18.01 -999 ? O3S MES D 501 >GLY.D 19 76.81 69.70 45.86 77.29 70.35 46.01 77.05 70.03 45.94 1 0 13.63 -999 ? O3S MES D 501 >SER.D 20 77.27 71.25 42.54 75.92 69.97 40.90 76.59 70.61 41.72 2 0 13.77 -999 ? O3S MES D 501 >TYR.D 21 81.60 75.50 44.15 83.09 77.79 44.26 82.35 76.64 44.21 3 0 19.41 -999 ? O3S MES D 501 >ILE.D 22 78.43 77.15 39.63 77.51 77.02 38.39 77.97 77.09 39.01 3 0 16.55 -999 ? C3 MES D 501 >PRO.D 23 83.99 75.97 40.20 82.63 77.79 40.27 83.31 76.88 40.23 3 0 21.16 -999 ? O3S MES D 501 >ARG.D 24 87.84 80.67 40.15 88.37 77.76 40.92 88.11 79.21 40.53 2 0 25.98 -999 ? O3S MES D 501 >MET?D 25 81.71 82.69 37.34 79.62 80.72 34.19 80.66 81.71 35.76 2 0 20.42 -999 ? C3 MES D 501 >SER~D 26 79.06 85.14 38.49 78.83 86.94 36.84 78.95 86.04 37.67 2 0 19.90 -999 ? O1 MES D 501 >PRO~D 27 75.47 84.61 40.91 76.05 84.32 38.75 75.76 84.46 39.83 3 0 15.20 -999 ? O1 MES D 501 >TYR~D 28 74.25 89.03 34.84 73.10 90.24 32.60 73.68 89.63 33.72 3 0 19.23 -999 ? O1 MES D 501 >GLU~D 29 79.91 84.51 33.06 82.05 84.88 33.08 80.98 84.70 33.07 2 0 23.79 -999 ? O1 MES D 501 >PHE~D 30 75.34 79.82 35.44 74.09 77.25 35.24 74.71 78.54 35.34 3 0 15.49 -999 ? C3 MES D 501 >LEU~D 31 71.80 84.29 33.85 69.63 84.54 33.62 70.71 84.41 33.73 3 0 15.29 -999 ? C2 MES D 501 >ARG~D 32 76.06 87.85 28.46 78.67 86.34 27.69 77.36 87.09 28.08 2 0 25.12 -999 ? O1 MES D 501 >ASN~D 33 76.82 81.01 29.61 78.67 81.99 29.50 77.75 81.50 29.55 2 0 22.72 -999 ? C3 MES D 501 >VAL~D 34 72.64 79.61 29.38 71.74 78.41 31.04 72.19 79.01 30.21 3 0 17.55 -999 ? C3 MES D 501 >ASN~D 35 69.96 83.47 27.95 68.45 83.51 29.49 69.20 83.49 28.72 2 0 17.39 -999 ? C2 MES D 501 >ASN~D 36 74.42 82.66 24.95 74.79 84.74 25.19 74.60 83.70 25.07 2 0 24.24 -999 ? C3 MES D 501 >TYR~D 37 73.01 76.05 25.21 72.74 73.39 24.44 72.88 74.72 24.82 3 0 22.62 -999 ? C3 MES D 501 >ILE~D 38 68.02 79.31 25.46 66.93 79.21 26.43 67.47 79.26 25.94 3 0 19.52 -999 ? C3 MES D 501 >ILE~D 39 69.59 82.81 21.64 69.38 84.31 21.49 69.49 83.56 21.56 3 0 24.97 -999 ? C3 MES D 501 >GLU~D 40 73.92 80.61 19.98 75.82 80.64 20.95 74.87 80.62 20.47 2 0 27.46 -999 ? C3 MES D 501 >ASN~D 41 71.27 75.02 21.03 73.37 75.28 20.74 72.32 75.15 20.89 2 0 26.44 -999 ? C3 MES D 501 >ASN~D 42 65.79 76.17 19.72 63.68 76.19 20.16 64.73 76.18 19.94 2 0 24.62 -999 ? C3 MES D 501 >PRO.D 43 68.01 74.70 24.94 67.06 73.71 23.16 67.53 74.20 24.05 3 0 21.52 -999 ? C3 MES D 501 >THR.D 44 64.11 70.72 24.39 63.53 68.79 23.53 63.82 69.76 23.96 2 0 22.53 -999 ? O1S MES D 501 >LEU.D 45 61.24 72.91 27.70 61.55 74.66 29.00 61.40 73.78 28.35 3 0 16.79 -999 ? C3 MES D 501 >VAL^D 46 61.86 68.56 29.51 63.48 67.08 29.50 62.67 67.82 29.51 3 0 16.84 -999 ? O1S MES D 501 >GLY.D 48 59.88 67.80 35.65 59.14 67.54 35.38 59.51 67.67 35.51 1 0 11.07 -999 ? O1S MES D 501 >TYR.D 49 58.74 67.12 40.91 58.79 69.34 42.62 58.77 68.23 41.77 3 0 6.17 -999 ? O1S MES D 501 >ALA.D 50 55.23 68.55 38.55 55.13 69.31 39.88 55.18 68.93 39.22 2 0 8.88 -999 ? O1S MES D 501 >ASP.D 51 52.41 70.74 35.19 50.90 71.60 36.44 51.66 71.17 35.82 2 0 13.78 -999 ? O1S MES D 501 >PHE.D 52 55.32 73.68 39.78 55.68 72.06 42.05 55.50 72.87 40.92 3 0 7.37 -999 ? O1S MES D 501 >CYH^D 53 58.99 72.32 36.96 61.06 70.82 38.06 60.02 71.57 37.51 2 0 7.74 -999 ? O1S MES D 501 >LYS^D 54 61.08 71.91 33.78 56.33 71.15 31.51 58.70 71.53 32.65 2 0 14.97 -999 ? O1S MES D 501 >HIS^D 55 64.71 68.96 34.33 64.22 68.11 36.18 64.47 68.53 35.25 3 0 11.57 -999 ? O1S MES D 501 >ILE^D 56 67.46 73.20 29.73 67.21 74.37 28.81 67.34 73.79 29.27 3 0 16.60 -999 ? C3 MES D 501 >PHE^D 57 69.38 67.49 30.73 67.79 66.37 32.70 68.58 66.93 31.72 3 0 16.38 -999 ? O3S MES D 501 >ILE^D 58 73.09 72.90 29.16 72.78 74.32 29.07 72.94 73.61 29.12 3 0 19.18 -999 ? C3 MES D 501 >PRO^D 59 76.23 70.59 25.38 76.08 70.71 27.65 76.16 70.65 26.51 3 0 23.52 -999 ? O3S MES D 501 >ASN.D 60 79.14 70.97 31.94 80.15 71.97 33.51 79.65 71.47 32.72 2 0 20.98 -999 ? O3S MES D 501 >PHE.D 61 78.46 76.93 30.15 76.66 78.05 31.98 77.56 77.49 31.07 3 0 20.37 -999 ? C3 MES D 501 >THR.D 62 81.64 75.73 33.44 79.98 75.67 34.90 80.81 75.70 34.17 2 0 20.17 -999 ? C3 MES D 501 >ALA.D 64 81.83 72.55 37.86 80.39 73.04 37.98 81.11 72.79 37.92 2 0 18.82 -999 ? O3S MES D 501 >GLN.D 66 80.34 63.28 39.38 81.22 61.37 39.07 80.78 62.32 39.22 2 0 22.16 -999 ? O3S MES D 501 >SER.D 67 78.80 66.05 42.40 76.77 67.24 41.78 77.78 66.64 42.09 2 0 14.98 -999 ? O3S MES D 501 >ILE^D 68 75.89 62.36 42.45 74.64 62.44 42.47 75.27 62.40 42.46 3 0 16.00 -999 ? O3S MES D 501 >VAL^D 69 79.28 59.36 43.56 80.89 59.37 45.13 80.08 59.36 44.35 3 0 21.28 -999 ? O3S MES D 501 >LYS^D 70 78.14 55.71 43.78 75.87 50.89 42.32 77.00 53.30 43.05 2 0 25.25 -999 ? O3S MES D 501 >ILE.D 71 77.56 54.46 48.53 77.07 54.99 49.72 77.32 54.72 49.13 3 0 22.75 -999 ? O3S MES D 501 >THR.D 72 80.53 51.06 47.45 82.10 51.47 45.96 81.32 51.26 46.70 2 0 28.12 -999 ? O3S MES D 501 >ASN.D 73 81.95 47.25 50.03 80.33 46.14 50.85 81.14 46.69 50.44 2 0 30.77 -999 ? O1S MES B 503 >ASN~D 75 84.11 54.83 48.61 82.16 54.74 47.59 83.14 54.78 48.10 2 0 25.84 -999 ? O3S MES D 501 >LYS~D 77 83.91 54.67 55.39 89.52 53.96 56.45 86.71 54.31 55.92 2 0 33.58 -999 ? O3S MES D 501 >TYR~D 78 86.07 57.57 52.45 88.48 56.20 52.19 87.28 56.88 52.32 3 0 29.13 -999 ? O3S MES D 501 >ILE~D 79 79.28 58.22 54.40 78.34 58.71 53.38 78.81 58.46 53.89 3 0 22.18 -999 ? O3S MES D 501 >LYS^D 80 79.97 62.08 56.84 82.01 66.54 59.91 80.99 64.31 58.38 2 0 23.80 -999 ? O3S MES D 501 >THR^D 81 76.49 62.64 58.32 76.17 60.81 59.46 76.33 61.73 58.89 2 0 21.55 -999 ? O1S MES B 503 >GLY^D 82 74.71 65.61 60.02 74.24 65.37 59.43 74.47 65.49 59.72 1 0 18.79 -999 ? O2S MES D 501 >TYR^D 83 70.32 66.83 62.06 69.00 64.41 62.71 69.66 65.62 62.39 3 0 16.52 -999 ? O1S MES B 503 >ILE^D 84 73.00 70.03 56.32 74.42 70.31 56.50 73.71 70.17 56.41 3 0 14.62 -999 ? O3S MES D 501 >SER.D 85 69.67 73.41 56.51 68.89 74.49 58.61 69.28 73.95 57.56 2 0 13.00 -999 ? O2S MES D 501 >ARG.D 86 66.73 72.79 51.33 64.52 72.89 49.20 65.63 72.84 50.26 2 0 -3.06 -999 ? O2S MES D 501s >ARG.D 87 66.02 78.82 51.68 63.16 78.54 50.59 64.59 78.68 51.14 2 0 -3.49 -999 ? C6 MES D 501s >ASP.D 88 68.95 81.54 57.36 71.02 82.01 57.11 69.99 81.78 57.23 2 0 13.37 -999 ? C6 MES D 501 >GLU.D 89 65.12 80.85 54.43 66.05 82.65 54.67 65.59 81.75 54.55 2 0 9.04 -999 ? C6 MES D 501 >GLU.D 90 64.26 75.66 54.20 64.69 74.47 52.51 64.48 75.06 53.35 2 0 5.87 -999 ? O2S MES D 501 >ILE.D 91 63.70 72.72 60.06 62.43 72.36 60.26 63.07 72.54 60.16 3 0 12.28 -999 ? O2S MES D 501 >PRO.D 92 68.35 72.11 61.38 67.41 71.75 59.46 67.88 71.93 60.42 3 0 13.86 -999 ? O2S MES D 501 >VAL^D 93 67.59 67.74 58.01 66.57 68.20 56.11 67.08 67.97 57.06 3 0 11.29 -999 ? O2S MES D 501 >LEU^D 94 69.21 63.35 59.04 70.43 61.74 59.74 69.82 62.54 59.39 3 0 16.34 -999 ? O1S MES B 503 >SER^D 95 71.95 64.30 55.37 71.16 66.65 55.19 71.56 65.48 55.28 2 0 12.99 -999 ? O2S MES D 501 >ARG^D 96 74.08 58.60 53.46 73.33 55.94 52.23 73.71 57.27 52.85 2 0 20.22 -999 ? O3S MES D 501 >TRP^D 97 79.83 65.88 53.35 77.64 66.46 56.60 78.73 66.17 54.98 3 0 18.70 -999 ? O3S MES D 501 >PHE^D 98 81.52 60.55 49.50 80.94 57.77 49.34 81.23 59.16 49.42 3 0 22.46 -999 ? O3S MES D 501 >PRO.D 99 83.84 64.17 54.08 83.21 64.91 52.08 83.52 64.54 53.08 3 0 22.64 -999 ? O3S MES D 501 >ASP.D 101 89.77 67.07 51.72 90.51 69.11 51.00 90.14 68.09 51.36 2 0 27.66 -999 ? O3S MES D 501 >SER~D 102 87.84 62.55 50.97 85.63 61.99 50.20 86.73 62.27 50.59 2 0 24.85 -999 ? O3S MES D 501 >PRO~D 103 90.31 58.94 50.34 89.07 60.31 49.08 89.69 59.62 49.71 3 0 29.43 -999 ? O3S MES D 501 >PRO~D 104 85.15 58.29 48.42 86.47 59.49 47.06 85.81 58.89 47.74 3 0 26.22 -999 ? O3S MES D 501 >ALA~D 105 86.10 63.32 45.97 85.94 64.23 47.17 86.02 63.77 46.57 2 0 23.97 -999 ? O3S MES D 501 >SER~D 106 89.70 63.76 44.82 90.97 64.57 46.73 90.34 64.17 45.77 2 0 28.63 -999 ? O3S MES D 501 >GLN~D 107 87.96 59.97 42.76 87.69 57.80 42.72 87.83 58.88 42.74 2 0 28.56 -999 ? O3S MES D 501 >LEU.D 108 85.16 64.26 41.10 83.99 62.64 42.03 84.58 63.45 41.57 3 0 23.44 -999 ? O3S MES D 501 >LYS.D 110 84.38 68.67 35.15 83.86 72.84 30.43 84.12 70.75 32.79 2 0 25.79 -999 ? O3S MES D 501 >SER.D 111 81.03 67.03 34.60 79.36 68.57 35.37 80.19 67.80 34.98 2 0 19.64 -999 ? O3S MES D 501 >TYR^D 113 75.37 66.35 29.88 75.65 64.80 27.58 75.51 65.58 28.73 3 0 22.35 -999 ? O3S MES D 501 >LEU^D 114 74.72 72.07 33.56 76.44 73.03 34.59 75.58 72.55 34.07 3 0 17.15 -999 ? O3S MES D 501 >ASP^D 115 70.28 68.55 35.49 68.07 68.24 35.47 69.17 68.40 35.48 2 0 12.46 -999 ? O3S MES D 501 >ILE^D 116 69.64 74.38 33.66 70.40 75.08 33.38 70.02 74.73 33.52 3 0 13.78 -999 ? C3 MES D 501 >ILE^D 117 66.17 72.18 38.26 65.87 70.96 39.16 66.02 71.57 38.71 3 0 8.00 -999 ? O3S MES D 501 >LEU^D 118 63.18 75.68 34.64 64.67 76.24 33.17 63.93 75.96 33.90 3 0 11.01 -999 ? C3 MES D 501 >TYR^D 119 60.31 75.61 40.49 60.38 73.36 42.08 60.35 74.49 41.28 3 0 -4.89 -999 ? O1S MES D 501s >SER^D 120 57.57 78.73 36.70 55.33 77.97 37.45 56.45 78.35 37.07 2 0 9.95 -999 ? C2 MES D 501 >LYS~D 121 57.18 82.38 37.65 55.96 88.38 35.77 56.57 85.38 36.71 2 0 14.47 -999 ? C2 MES D 501 >GLU~D 122 52.37 79.72 38.35 50.29 79.07 38.17 51.33 79.39 38.26 2 0 13.40 -999 ? C2 MES D 501 >GLN~D 123 56.67 76.51 42.11 55.29 75.59 43.47 55.98 76.05 42.79 2 0 7.00 -999 ? O1S MES D 501 >CYH~D 124 58.37 81.00 42.50 60.50 80.33 40.81 59.44 80.67 41.65 2 0 4.57 -999 ? C2 MES D 501 >GLU~D 125 53.84 84.94 42.76 53.00 84.96 40.81 53.42 84.95 41.79 2 0 11.54 -999 ? C2 MES D 501 >LYS~D 126 53.72 81.24 45.38 50.40 76.02 45.13 52.06 78.63 45.25 2 0 11.34 -999 ? O1S MES D 501 >GLU~D 127 57.55 77.79 46.49 59.30 76.60 46.20 58.43 77.20 46.34 2 0 -3.38 -999 ? C8 MES D 501s >SER~D 129 54.53 84.66 49.44 52.48 83.64 48.54 53.50 84.15 48.99 2 0 11.16 -999 ? C2 MES D 501 >ILE~D 130 54.34 80.30 51.74 53.59 79.71 51.51 53.96 80.01 51.63 3 0 9.81 -999 ? C6 MES D 501 >MET?D 131 58.26 82.06 53.12 59.16 78.71 53.53 58.71 80.39 53.32 2 0 7.25 -999 ? C6 MES D 501 >ASN~D 132 57.99 86.41 54.03 56.28 87.64 53.82 57.13 87.03 53.93 2 0 12.66 -999 ? C6 MES D 501 >LEU.D 135 67.02 86.97 48.39 68.74 87.04 49.77 67.88 87.01 49.08 3 0 9.66 -999 ? O1 MES D 501 >GLN.D 136 67.94 91.83 45.05 67.15 93.23 43.69 67.54 92.53 44.37 2 0 14.58 -999 ? O1 MES D 501 >ASP.D 137 65.24 87.15 40.73 63.76 86.03 41.83 64.50 86.59 41.28 2 0 7.73 -999 ? O1 MES D 501 >ILE.D 138 70.52 86.85 38.54 71.73 87.62 39.03 71.13 87.24 38.79 3 0 13.43 -999 ? O1 MES D 501 >LEU.D 139 66.61 90.00 35.56 64.58 89.50 36.20 65.59 89.75 35.88 3 0 14.58 -999 ? O1 MES D 501 >ASP.D 140 68.93 87.79 30.92 70.17 87.94 29.15 69.55 87.86 30.04 2 0 19.99 -999 ? C2 MES D 501 >ASP.D 141 70.45 93.15 29.94 71.46 94.23 31.45 70.95 93.69 30.70 2 0 22.37 -999 ? O1 MES D 501 >ARG.D 142 70.23 89.19 25.22 71.80 86.53 25.70 71.02 87.86 25.46 2 0 22.94 -999 ? C2 MES D 501 >GLU.D 143 63.06 87.37 29.72 61.39 88.07 28.63 62.22 87.72 29.17 2 0 18.72 -999 ? C2 MES D 501 >ASN.D 145 58.76 90.07 32.15 57.16 90.23 33.56 57.96 90.15 32.85 2 0 16.76 -999 ? C2 MES D 501 >PRO.D 146 62.40 85.93 34.18 60.91 86.29 32.57 61.66 86.11 33.38 3 0 13.63 -999 ? C2 MES D 501 >ASP.D 147 57.46 82.31 31.34 56.23 83.81 30.49 56.85 83.06 30.92 2 0 16.26 -999 ? C2 MES D 501 >TRP^D 148 59.27 78.98 31.25 57.59 76.08 33.30 58.43 77.53 32.28 3 0 13.07 -999 ? C3 MES D 501 >TYR^D 149 62.67 82.77 37.66 61.60 85.34 37.44 62.14 84.06 37.55 3 0 9.02 -999 ? C2 MES D 501 >ILE^D 150 68.11 78.88 36.83 69.31 78.61 36.05 68.71 78.75 36.44 3 0 10.47 -999 ? C3 MES D 501 >ILE^D 151 64.83 76.68 41.42 63.89 75.99 41.61 64.36 76.34 41.51 3 0 3.88 -999 ? C3 MES D 501 >SER^D 152 68.94 74.53 40.82 69.36 72.56 42.22 69.15 73.54 41.52 2 0 7.12 -999 ? O3S MES D 501 >ILE^D 153 72.86 74.45 38.34 73.36 75.54 37.95 73.11 75.00 38.15 3 0 12.77 -999 ? C3 MES D 501 >LYS^D 154 73.11 69.76 38.73 70.91 70.49 43.05 72.01 70.13 40.89 2 0 8.34 -999 ? O3S MES D 501 >ALA^D 155 76.61 69.08 37.35 77.86 69.73 37.99 77.23 69.40 37.67 2 0 16.81 -999 ? O3S MES D 501 >GLN^D 156 73.84 65.82 35.32 71.80 65.32 35.67 72.82 65.57 35.49 2 0 15.27 -999 ? O3S MES D 501 >ASN.D 157 78.40 61.90 33.80 80.03 62.40 35.07 79.21 62.15 34.43 2 0 22.39 -999 ? O3S MES D 501 >GLU.D 158 73.14 61.24 34.39 74.67 60.36 35.56 73.90 60.80 34.98 2 0 19.68 -999 ? O3S MES D 501 >SER.D 159 71.76 63.91 29.90 72.05 62.60 27.87 71.91 63.26 28.89 2 0 22.57 -999 ? O3S MES D 501 >PHE.D 160 69.02 60.49 31.93 70.65 58.41 32.81 69.83 59.45 32.37 3 0 20.10 -999 ? O3S MES D 501 >GLU.D 161 65.10 65.10 34.45 63.84 64.40 32.88 64.47 64.75 33.66 2 0 15.30 -999 ? O1S MES D 501 >VAL.D 162 68.54 62.04 38.27 70.62 61.93 39.05 69.58 61.99 38.66 3 0 14.35 -999 ? O3S MES D 501 >PRO.D 163 66.78 59.10 40.91 66.55 61.33 40.60 66.66 60.21 40.75 3 0 13.87 -999 ? O3S MES D 501 >MET?D 164 65.75 64.13 43.81 61.83 66.19 44.18 63.79 65.16 43.99 2 0 6.43 -999 ? O1S MES D 501 >GLU~D 165 69.28 63.41 47.78 70.62 64.03 49.22 69.95 63.72 48.50 2 0 11.50 -999 ? O3S MES D 501 >PRO~D 166 65.41 59.53 49.35 64.79 61.66 49.17 65.10 60.60 49.26 3 0 12.02 -999 ? O2S MES D 501 >ILE~D 167 65.21 65.22 52.88 66.18 65.76 53.30 65.69 65.49 53.09 3 0 9.21 -999 ? O2S MES D 501 >THR~D 168 63.55 66.79 49.24 64.94 67.38 47.62 64.25 67.09 48.43 2 0 5.54 -999 ? O3S MES D 501 >ILE~D 169 60.35 63.31 47.91 60.03 62.37 46.76 60.19 62.84 47.34 3 0 9.42 -999 ? O2S MES D 501 >LEU~D 170 59.94 64.00 53.25 59.74 61.95 53.91 59.84 62.97 53.58 3 0 10.91 -999 ? O2S MES D 501 >ARG~D 171 62.44 71.29 53.29 65.09 70.04 52.39 63.76 70.67 52.84 2 0 5.87 -999 ? O2S MES D 501 >ASN~D 172 58.11 68.53 47.98 59.58 69.49 46.74 58.84 69.01 47.36 2 0 -3.49 -999 ? O1S MES D 501s >THR.D 173 54.92 68.11 51.37 54.54 66.26 52.39 54.73 67.19 51.88 2 0 10.35 -999 ? O2S MES D 501 >LEU.D 174 56.03 70.97 54.88 55.28 69.61 56.47 55.66 70.29 55.67 3 0 10.07 -999 ? O2S MES D 501 >ILE.D 175 54.14 74.99 50.65 53.54 75.75 49.97 53.84 75.37 50.31 3 0 8.76 -999 ? C8 MES D 501 >GLU.D 176 54.57 77.69 56.60 52.85 78.79 56.07 53.71 78.24 56.34 2 0 13.23 -999 ? C6 MES D 501 >GLU.D 177 58.86 73.15 57.70 60.04 74.69 58.52 59.45 73.92 58.11 2 0 11.04 -999 ? O2S MES D 501 >GLY.D 178 59.46 75.53 52.53 60.15 75.09 52.56 59.81 75.31 52.55 1 0 6.20 -999 ? C8 MES D 501 >GLY.D 179 59.35 72.94 49.83 58.82 73.54 50.01 59.09 73.24 49.92 1 0 -3.24 -999 ? O2S MES D 501s >SER.D 180 57.17 73.23 46.77 57.15 71.13 45.56 57.16 72.18 46.17 2 0 -4.19 -999 ? O1S MES D 501s >GLY.D 181 53.92 71.97 48.25 54.26 71.59 47.69 54.09 71.78 47.97 1 0 7.69 -999 ? O1S MES D 501 >VAL.D 182 53.24 68.71 46.38 53.57 68.17 44.31 53.40 68.44 45.34 3 0 8.70 -999 ? O1S MES D 501 >PRO.D 183 49.92 65.86 46.62 51.81 66.27 47.77 50.87 66.06 47.20 3 0 12.18 -999 ? O1S MES D 501 >LEU.D 184 54.48 62.00 49.83 55.94 60.38 50.14 55.21 61.19 49.99 3 0 12.93 -999 ? O2S MES D 501 >LYS~D 185 53.67 60.00 45.83 52.23 62.38 40.81 52.95 61.19 43.32 2 0 14.26 -999 ? O1S MES D 501 >ARG~D 186 53.39 54.40 49.70 53.48 52.68 52.24 53.43 53.54 50.97 2 0 12.58 -999 ? C3 MES B 503 >GLU~D 187 53.77 54.93 42.67 52.55 56.19 43.91 53.16 55.56 43.29 2 0 18.44 -999 ? O1S MES D 501 >LYS~D 188 58.18 58.49 43.15 58.69 62.62 38.97 58.44 60.56 41.06 2 0 12.10 -999 ? O1S MES D 501 >TYR~D 189 59.69 58.54 49.27 61.11 58.53 51.58 60.40 58.53 50.42 3 0 13.86 -999 ? O2S MES D 501 >LEU~D 190 59.92 53.49 46.67 58.60 53.04 48.32 59.26 53.27 47.50 3 0 17.97 -999 ? O3S MES B 503 >GLU~D 191 60.56 55.43 40.87 59.53 56.53 39.34 60.05 55.98 40.11 2 0 17.16 -999 ? O1S MES D 501 >SER~D 192 64.30 58.05 44.68 63.70 59.66 46.31 64.00 58.86 45.49 2 0 12.68 -999 ? O2S MES D 501 >VAL~D 193 65.09 55.75 47.58 64.27 55.04 49.48 64.68 55.40 48.53 3 0 16.95 -999 ? O2S MES D 501 >GLU~D 194 65.59 50.69 44.98 64.25 50.19 46.59 64.92 50.44 45.79 2 0 21.43 -999 ? O3S MES B 503 >PHE~D 195 69.60 57.54 42.29 71.79 58.93 41.18 70.69 58.24 41.73 3 0 16.64 -999 ? O3S MES D 501 >TRP~D 196 68.40 60.14 45.65 71.88 62.02 45.37 70.14 61.08 45.51 3 0 13.28 -999 ? O3S MES D 501 >LYS~D 197 70.46 54.01 48.69 66.96 50.57 51.01 68.71 52.29 49.85 2 0 19.37 -999 ? O3S MES B 503 >GLU.D 198 72.96 52.30 45.04 72.60 50.28 44.97 72.78 51.29 45.01 2 0 24.10 -999 ? O3S MES D 501 >HIS^D 199 73.95 56.81 43.43 73.56 55.37 41.94 73.76 56.09 42.69 3 0 19.72 -999 ? O3S MES D 501 >ALA^D 200 75.97 60.24 47.82 76.88 59.81 48.98 76.43 60.03 48.40 2 0 18.69 -999 ? O3S MES D 501 >ILE^D 201 75.59 65.13 47.49 74.77 65.90 48.16 75.18 65.51 47.83 3 0 13.74 -999 ? O3S MES D 501 >VAL^D 202 80.03 65.31 47.18 81.77 64.57 46.04 80.90 64.94 46.61 3 0 19.01 -999 ? O3S MES D 501 >SER.D 203 80.49 68.45 49.25 81.05 69.74 51.20 80.77 69.10 50.23 2 0 18.47 -999 ? O3S MES D 501 >SER.D 204 81.93 71.80 48.11 82.84 72.42 50.25 82.38 72.11 49.18 2 0 19.77 -999 ? O3S MES D 501