REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-MAR-09 3GOR COMPND PUTATIVE METAL-DEPENDENT HYDROLASE; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR D.R.COOPER,K.GRELEWSKA,Z.S.DEREWENDA,INTEGRATED CENTER FOR AUTHOR 2 STRUCTURE AND FUNCTION INNOVATION (ISFI) HET MSE A 1 8 HET MSE A 19 8 HET MSE A 39 8 HET MSE A 48 8 HET MSE A 96 8 HET MSE A 115 8 HET MSE A 125 8 HET MSE A 142 8 HET MSE B 1 8 HET MSE B 19 8 HET MSE B 39 8 HET MSE B 48 8 HET MSE B 96 8 HET MSE B 115 8 HET MSE B 125 8 HET MSE B 142 8 HET MSE C 1 8 HET MSE C 19 8 HET MSE C 39 8 HET MSE C 48 8 HET MSE C 96 8 HET MSE C 115 8 HET MSE C 125 8 HET MSE C 142 8 HET MSE D 19 8 HET MSE D 39 8 HET MSE D 48 8 HET MSE D 96 8 HET MSE D 115 8 HET MSE D 125 8 HET MSE D 142 8 HET NI A 200 1 HET NI B 200 1 HET NI C 200 1 HET NI D 200 1 SITE 1 AC1 3 HIS A 47 HIS A 127 HIS A 131 SITE 1 AC2 5 SER B -2 HIS B 47 HIS B 127 HIS B 131 SITE 1 AC3 4 SER C -2 HIS C 47 HIS C 127 HIS C 131 SITE 1 AC4 4 SER A -2 HIS D 47 HIS D 127 HIS D 131 >SER.A -2 7.43 79.33 52.72 6.30 81.08 51.50 6.86 80.20 52.11 2 0 -36.38 -999 ? NI NI A 200s >ASN.A -1 6.42 76.12 55.42 7.13 77.36 57.03 6.78 76.74 56.23 2 0 29.75 -999 ? NI NI A 200 >ALA.A 0 7.31 73.25 51.53 8.45 72.92 50.58 7.88 73.08 51.06 2 0 33.97 -999 ? NI NI A 200 >MET?A 1 6.68 70.45 54.03 10.46 69.36 54.31 8.57 69.90 54.17 2 0 29.66 -999 ? NI NI A 200 >SER~A 2 4.18 72.22 56.26 2.65 71.93 54.39 3.42 72.08 55.33 2 0 30.15 -999 ? NI NI A 200 >ARG~A 3 9.72 69.83 59.22 12.74 69.64 59.45 11.23 69.74 59.34 2 0 25.34 -999 ? NI NI A 200 >ALA~A 4 4.36 72.75 61.72 4.23 74.26 61.78 4.30 73.51 61.75 2 0 24.15 -999 ? NI NI A 200 >LYS~A 5 1.01 71.75 60.25 -0.22 75.69 57.78 0.40 73.72 59.02 2 0 28.97 -999 ? NI NI A 200 >LYS~A 6 2.01 68.07 60.21 5.32 66.85 54.94 3.66 67.46 57.58 2 0 26.80 -999 ? NI NI B 200 >TRP~A 7 6.63 68.80 63.20 7.56 65.97 65.78 7.10 67.38 64.49 3 0 19.01 -999 ? NI NI A 200 >VAL~A 8 0.04 69.98 64.85 -0.78 71.98 64.77 -0.37 70.98 64.81 3 0 20.90 -999 ? NI NI A 200 >GLN~A 9 -2.70 65.60 61.47 -2.98 65.27 59.39 -2.84 65.44 60.43 2 0 21.26 -999 ? NI NI B 200 >TYR~A 10 2.18 63.33 65.46 3.43 61.20 66.77 2.81 62.27 66.12 3 0 16.71 -999 ? NI NI B 200 >PHE~A 11 -0.30 68.53 69.80 -1.14 69.69 72.21 -0.72 69.11 71.00 3 0 15.12 -999 ? NI NI A 200 >LEU~A 12 -4.78 67.75 67.09 -4.98 69.87 67.64 -4.88 68.81 67.37 3 0 19.96 -999 ? NI NI A 200 >SER~A 13 -4.60 63.23 66.96 -2.49 62.22 66.34 -3.55 62.73 66.65 2 0 15.32 -999 ? NI NI B 200 >HIS~A 14 -1.41 60.95 70.18 -0.72 59.16 69.35 -1.06 60.06 69.76 3 0 12.59 -999 ? NI NI B 200 >ARG~A 15 -4.36 67.73 74.71 -1.76 68.94 75.84 -3.06 68.34 75.28 2 0 12.26 -999 ? NI NI A 200 >HIS~A 16 -8.56 66.37 69.20 -8.61 68.26 68.30 -8.58 67.32 68.75 3 0 20.24 -999 ? NI NI B 200 >VAL~A 17 -8.23 61.80 72.97 -7.75 59.81 72.31 -7.99 60.81 72.64 3 0 13.66 -999 ? NI NI B 200 >THR~A 18 -6.55 63.17 76.09 -4.61 63.82 76.70 -5.58 63.49 76.40 2 0 12.39 -999 ? NI NI A 200 >MET?A 19 -9.25 65.80 76.25 -8.45 69.47 74.69 -8.85 67.63 75.47 2 0 18.01 -999 ? NI NI A 200 >GLU~A 20 -13.55 61.74 74.34 -13.70 60.78 72.45 -13.62 61.26 73.40 2 0 16.34 -999 ? NI NI B 200 >LEU~A 21 -9.29 60.67 78.75 -8.82 58.68 78.09 -9.05 59.68 78.42 3 0 14.64 -999 ? NI NI B 200 >ILE~A 22 -9.51 65.70 80.50 -8.53 66.69 80.79 -9.02 66.19 80.65 3 0 15.66 -999 ? NI NI A 200 >HIS~A 23 -14.36 66.92 78.44 -13.74 68.72 77.56 -14.05 67.82 78.00 3 0 21.34 -999 ? NI NI A 200 >LYS~A 24 -14.98 61.89 81.82 -15.10 59.52 76.99 -15.04 60.70 79.40 2 0 17.15 -999 ? NI NI B 200 >ILE~A 25 -11.81 63.26 85.18 -10.45 62.89 85.53 -11.13 63.07 85.36 3 0 17.39 -999 ? NI NI A 200 >ASP~A 26 -17.10 64.23 87.81 -17.14 62.19 88.37 -17.12 63.21 88.09 2 0 23.86 -999 ? NI NI A 200 >GLU~A 27 -15.40 69.21 90.03 -13.78 70.55 90.23 -14.59 69.88 90.13 2 0 22.60 -999 ? NI NI A 200 >ALA~A 28 -15.34 63.85 92.66 -16.65 63.07 92.66 -15.99 63.46 92.66 2 0 24.74 -999 ? NI NI A 200 >HIS~A 29 -13.88 59.90 90.16 -15.44 58.53 90.46 -14.66 59.22 90.31 3 0 22.29 -999 ? NI NI A 200 >TYR~A 30 -10.71 67.05 90.06 -11.74 68.74 88.10 -11.23 67.90 89.08 3 0 19.11 -999 ? NI NI A 200 >ASP.A 31 -8.11 63.58 94.92 -10.05 63.29 95.73 -9.08 63.43 95.33 2 0 20.63 -999 ? NI NI A 200 >TYR.A 32 -9.17 57.51 90.89 -8.85 54.84 90.18 -9.01 56.17 90.53 3 0 18.12 -999 ? NI NI A 200 >LYS.A 33 -5.27 57.25 92.38 -1.54 58.81 96.50 -3.41 58.03 94.44 2 0 16.08 -999 ? NI NI A 200 >PRO.A 34 -4.12 54.81 89.09 -4.93 54.41 91.14 -4.52 54.61 90.11 3 0 15.15 -999 ? NI NI A 200 >THR.A 35 -2.28 52.98 93.62 -0.53 52.67 92.35 -1.40 52.83 92.98 2 0 15.28 -999 ? NI NI A 200 >PRO.A 36 -1.47 52.46 97.79 -1.33 54.16 96.33 -1.40 53.31 97.06 3 0 18.57 -999 ? NI NI A 200 >THR.A 37 2.04 55.85 95.18 3.38 54.17 95.42 2.71 55.01 95.30 2 0 15.39 -999 ? NI NI A 200 >SER.A 38 0.51 57.08 91.91 -0.06 55.01 90.73 0.22 56.05 91.32 2 0 12.57 -999 ? NI NI A 200 >MET?A 39 -0.31 60.67 90.91 1.96 62.83 87.86 0.83 61.75 89.39 2 0 6.47 -999 ? NI NI A 200 >THR~A 40 -3.92 61.76 91.32 -4.06 63.43 92.66 -3.99 62.59 91.99 2 0 14.11 -999 ? NI NI A 200 >ALA~A 41 -5.97 62.05 88.14 -7.42 61.71 88.03 -6.69 61.88 88.08 2 0 14.48 -999 ? NI NI A 200 >LYS~A 42 -5.82 65.84 88.44 -7.78 71.29 90.95 -6.80 68.56 89.69 2 0 18.20 -999 ? NI NI A 200 >GLN~A 43 -1.43 65.75 91.41 -0.78 64.61 93.09 -1.11 65.18 92.25 2 0 12.46 -999 ? NI NI A 200 >LEU~A 44 -2.20 62.10 85.81 -1.39 60.60 84.46 -1.80 61.35 85.14 3 0 8.29 -999 ? NI NI A 200 >ALA~A 45 -3.77 65.56 83.61 -5.26 65.75 83.81 -4.51 65.65 83.71 2 0 11.78 -999 ? NI NI A 200 >THR~A 46 -2.18 68.76 84.78 -2.46 70.03 86.46 -2.32 69.40 85.62 2 0 11.82 -999 ? NI NI A 200 >HIS~A 47 3.13 65.62 84.45 5.00 65.00 83.72 4.06 65.31 84.09 3 0 -3.53 -999 ? NI NI A 200s >MET?A 48 0.51 66.45 80.71 -2.05 63.02 80.35 -0.77 64.73 80.53 2 0 8.52 -999 ? NI NI A 200 >LEU~A 49 -2.10 70.50 80.50 -4.14 69.92 80.05 -3.12 70.21 80.27 3 0 12.17 -999 ? NI NI A 200 >PHE~A 50 0.94 72.78 83.54 -1.22 74.09 84.70 -0.14 73.44 84.12 3 0 12.49 -999 ? NI NI A 200 >SER~A 51 4.81 69.61 80.39 4.25 67.27 80.02 4.53 68.44 80.20 2 0 5.72 -999 ? NI NI A 200 >PHE~A 52 2.85 68.64 74.66 3.44 67.87 72.07 3.14 68.26 73.37 3 0 11.41 -999 ? NI NI A 200 >TYR~A 53 2.69 75.71 77.73 3.11 78.45 77.60 2.90 77.08 77.67 3 0 15.65 -999 ? NI NI A 200 >ASN~A 54 7.45 73.20 79.45 6.84 74.35 81.15 7.15 73.77 80.30 2 0 11.83 -999 ? NI NI A 200 >PHE~A 55 8.46 69.00 75.65 9.73 66.90 76.98 9.10 67.95 76.32 3 0 8.95 -999 ? NI NI A 200 >ALA~A 56 6.45 73.59 72.67 4.94 73.67 72.49 5.70 73.63 72.58 2 0 15.17 -999 ? NI NI A 200 >ASN~A 57 7.16 77.17 75.80 7.22 79.24 76.24 7.19 78.21 76.02 2 0 17.89 -999 ? NI NI A 200 >THR~A 58 11.04 75.83 74.40 12.19 74.66 75.75 11.62 75.24 75.08 2 0 15.23 -999 ? NI NI A 200 >ALA~A 59 10.91 74.49 70.86 9.98 73.38 70.38 10.45 73.93 70.62 2 0 16.92 -999 ? NI NI A 200 >LYS~A 60 9.25 77.58 69.46 7.09 80.96 66.74 8.17 79.27 68.10 2 0 24.42 -999 ? NI NI A 200 >HIS~A 61 10.16 81.45 72.22 8.25 82.32 72.27 9.21 81.88 72.25 3 0 22.18 -999 ? NI NI A 200 >GLY.A 62 14.75 77.64 70.67 14.47 78.07 71.31 14.61 77.86 70.99 1 0 21.17 -999 ? NI NI A 200 >ASP~A 63 14.87 79.84 74.78 15.85 80.57 76.51 15.36 80.21 75.65 2 0 21.37 -999 ? NI NI A 200 >PRO~A 64 18.12 75.37 75.28 16.24 76.13 76.23 17.18 75.75 75.75 3 0 18.58 -999 ? NI NI A 200 >SER~A 65 15.90 77.81 79.81 15.80 80.13 79.11 15.85 78.97 79.46 2 0 20.33 -999 ? NI NI A 200 >LEU~A 66 11.49 78.33 77.86 11.31 80.36 77.05 11.40 79.34 77.46 3 0 18.32 -999 ? NI NI A 200 >PHE~A 67 12.20 71.83 79.28 11.12 69.29 79.37 11.66 70.56 79.33 3 0 10.30 -999 ? NI NI A 200 >ARG~A 68 13.12 70.98 84.99 15.76 69.59 84.36 14.44 70.28 84.67 2 0 11.99 -999 ? NI NI A 200 >GLN~A 69 8.44 79.26 82.89 8.12 80.52 81.21 8.28 79.89 82.05 2 0 18.05 -999 ? NI NI A 200 >LYS.A 70 7.24 76.91 86.55 3.87 76.25 90.67 5.56 76.58 88.61 2 0 15.82 -999 ? NI NI A 200 >ILE.A 71 3.01 76.48 84.31 2.50 76.17 83.03 2.75 76.32 83.67 3 0 14.07 -999 ? NI NI A 200 >GLU.A 72 1.22 80.11 90.15 2.50 80.90 91.63 1.86 80.51 90.89 2 0 20.53 -999 ? NI NI A 200 >GLU.A 73 -3.61 78.09 84.87 -3.46 80.04 84.08 -3.53 79.06 84.48 2 0 19.85 -999 ? NI NI A 200 >PRO.A 74 -4.87 81.55 88.20 -4.80 79.34 88.65 -4.83 80.45 88.43 3 0 21.58 -999 ? NI NI A 200 >GLU.A 75 -8.85 76.76 84.75 -10.30 78.28 85.08 -9.58 77.52 84.92 2 0 22.73 -999 ? NI NI A 200 >THR.A 76 -8.82 74.64 89.13 -9.93 75.07 90.96 -9.37 74.86 90.04 2 0 21.79 -999 ? NI NI A 200 >ASN~A 77 -12.56 74.02 86.07 -13.62 72.92 84.56 -13.09 73.47 85.32 2 0 22.27 -999 ? NI NI A 200 >LEU~A 78 -9.59 69.11 84.93 -7.81 67.95 85.11 -8.70 68.53 85.02 3 0 16.04 -999 ? NI NI A 200 >ALA~A 79 -11.55 70.76 81.49 -13.04 70.50 81.38 -12.30 70.63 81.44 2 0 20.71 -999 ? NI NI A 200 >LYS~A 80 -11.15 74.51 81.11 -10.94 79.83 81.51 -11.04 77.17 81.31 2 0 24.21 -999 ? NI NI A 200 >LEU~A 81 -6.95 73.57 83.20 -5.13 74.16 84.22 -6.04 73.87 83.71 3 0 16.52 -999 ? NI NI A 200 >ALA~A 82 -7.20 71.52 79.29 -8.03 70.25 79.26 -7.61 70.89 79.28 2 0 16.41 -999 ? NI NI A 200 >GLU~A 83 -11.16 73.01 77.14 -12.82 72.41 75.99 -11.99 72.71 76.56 2 0 22.35 -999 ? NI NI A 200 >THR~A 84 -6.77 76.66 77.44 -6.76 78.12 79.03 -6.76 77.39 78.24 2 0 20.45 -999 ? NI NI A 200 >TYR~A 85 -2.18 75.27 79.48 -1.15 77.20 81.16 -1.67 76.23 80.32 3 0 15.83 -999 ? NI NI A 200 >THR~A 86 -4.23 72.82 74.34 -5.38 71.10 73.81 -4.81 71.96 74.08 2 0 16.87 -999 ? NI NI A 200 >GLU~A 87 -6.12 78.10 71.59 -6.23 77.40 69.59 -6.17 77.75 70.59 2 0 23.34 -999 ? NI NI A 200 >LYS~A 88 -1.71 77.69 73.67 -0.56 80.50 78.88 -1.13 79.10 76.28 2 0 19.44 -999 ? NI NI A 200 >THR~A 89 0.31 74.61 72.77 0.73 72.79 73.84 0.52 73.70 73.31 2 0 14.58 -999 ? NI NI A 200 >ARG~A 90 -4.61 74.21 67.28 -4.02 77.01 66.20 -4.32 75.61 66.74 2 0 24.20 -999 ? NI NI A 200 >GLN~A 91 -2.51 79.54 68.57 -3.64 81.01 69.61 -3.07 80.28 69.09 2 0 24.63 -999 ? NI NI A 200 >LEU~A 92 3.62 77.25 70.93 4.17 78.43 72.66 3.89 77.84 71.79 3 0 18.91 -999 ? NI NI A 200 >ILE~A 93 3.21 73.39 67.44 3.28 72.03 67.70 3.24 72.71 67.57 3 0 18.52 -999 ? NI NI A 200 >GLU~A 94 -0.44 76.22 63.15 -2.15 77.38 62.79 -1.29 76.80 62.97 2 0 26.21 -999 ? NI NI A 200 >SER~A 95 3.83 79.42 64.47 4.51 79.99 66.71 4.17 79.70 65.59 2 0 23.74 -999 ? NI NI A 200 >MET?A 96 7.07 77.60 63.74 7.94 74.76 66.82 7.51 76.18 65.28 2 0 20.19 -999 ? NI NI A 200 >SER.A 97 8.98 77.73 60.45 11.27 78.51 60.69 10.12 78.12 60.57 2 0 27.75 -999 ? NI NI A 200 >ASP.A 98 10.14 74.14 57.42 8.09 73.80 56.98 9.11 73.97 57.20 2 0 28.26 -999 ? NI NI A 200 >ASP~A 99 14.69 76.71 59.23 15.53 76.46 57.31 15.11 76.58 58.27 2 0 30.55 -999 ? NI NI A 200 >ASP~A 100 11.73 76.46 63.92 11.69 78.56 63.62 11.71 77.51 63.77 2 0 25.59 -999 ? NI NI A 200 >PHE~A 101 10.01 71.72 62.93 7.43 72.48 63.58 8.72 72.10 63.25 3 0 21.93 -999 ? NI NI A 200 >ASP~A 102 16.61 71.90 61.02 15.57 70.76 59.61 16.09 71.33 60.32 2 0 26.40 -999 ? NI NI A 200 >ARG.A 103 16.95 77.28 67.05 13.90 77.14 67.02 15.42 77.21 67.03 2 0 22.85 -999 ? NI NI A 200 >THR^A 104 19.78 72.28 67.62 21.69 71.31 67.55 20.74 71.80 67.58 2 0 23.53 -999 ? NI NI A 200 >LEU^A 105 17.47 72.11 71.75 15.57 73.10 71.46 16.52 72.60 71.60 3 0 18.30 -999 ? NI NI A 200 >ASP^A 106 22.55 73.67 74.17 24.23 73.06 75.27 23.39 73.37 74.72 2 0 22.26 -999 ? NI NI A 200 >LEU~A 107 18.71 69.61 76.13 16.88 70.47 75.35 17.80 70.04 75.74 3 0 15.58 -999 ? NI NI A 200 >THR~A 108 22.92 68.84 78.38 24.94 68.79 77.62 23.93 68.81 78.00 2 0 20.51 -999 ? NI NI A 200 >ALA~A 109 21.98 70.60 81.61 21.75 72.10 81.75 21.87 71.35 81.68 2 0 18.33 -999 ? NI NI A 200 >ILE~A 110 17.55 69.62 80.72 16.41 70.55 80.75 16.98 70.09 80.74 3 0 13.36 -999 ? NI NI A 200 >PHE~A 111 16.60 65.95 78.07 13.96 66.79 78.14 15.28 66.37 78.11 3 0 11.01 -999 ? NI NI A 200 >GLY~A 112 22.55 65.57 79.42 22.02 65.60 78.79 22.28 65.59 79.10 1 0 17.08 -999 ? NI NI A 200 >THR.A 113 22.59 65.89 75.64 21.31 64.39 74.73 21.95 65.14 75.19 2 0 17.36 -999 ? NI NI A 200 >GLN^A 114 23.99 69.69 72.72 24.92 71.31 71.71 24.45 70.50 72.22 2 0 23.55 -999 ? NI NI A 200 >MET?A 115 19.16 67.36 70.28 16.08 65.78 72.72 17.62 66.57 71.50 2 0 14.59 -999 ? NI NI A 200 >SER^A 116 17.37 68.60 67.19 16.19 66.94 65.86 16.78 67.77 66.53 2 0 20.25 -999 ? NI NI A 200 >THR~A 117 14.11 70.44 67.82 13.45 72.49 67.67 13.78 71.47 67.74 2 0 19.55 -999 ? NI NI A 200 >ALA~A 118 12.31 67.65 65.99 12.53 67.26 64.53 12.42 67.45 65.26 2 0 19.98 -999 ? NI NI A 200 >GLN~A 119 15.82 63.75 67.32 17.93 63.59 67.53 16.87 63.67 67.43 2 0 19.41 -999 ? NI NI A 200 >PHE~A 120 12.88 69.23 72.54 12.17 70.57 74.87 12.53 69.90 73.71 3 0 13.34 -999 ? NI NI A 200 >LEU~A 121 8.73 68.17 68.73 8.06 70.22 68.89 8.40 69.20 68.81 3 0 15.68 -999 ? NI NI A 200 >GLN~A 122 9.51 61.37 68.33 7.53 61.27 67.47 8.52 61.32 67.90 2 0 15.53 -999 ? NI NI A 200 >LEU~A 123 11.34 63.83 73.61 11.98 63.14 75.56 11.66 63.48 74.59 3 0 10.03 -999 ? NI NI A 200 >ALA~A 124 7.18 65.54 73.96 6.94 66.95 73.47 7.06 66.24 73.71 2 0 10.37 -999 ? NI NI A 200 >MET?A 125 4.83 63.34 71.93 2.60 64.73 69.87 3.71 64.04 70.90 2 0 13.62 -999 ? NI NI A 200 >ASP~A 126 7.67 59.73 73.40 8.33 59.19 71.44 8.00 59.46 72.42 2 0 12.16 -999 ? NI NI A 200 >HIS~A 127 6.18 63.35 78.73 5.84 64.01 80.69 6.01 63.68 79.71 3 0 -3.32 -999 ? NI NI A 200s >GLU~A 128 0.05 63.60 74.74 -0.93 65.21 75.74 -0.44 64.41 75.24 2 0 10.32 -999 ? NI NI A 200 >ILE~A 129 1.95 58.61 73.36 2.04 58.18 72.07 2.00 58.40 72.72 3 0 11.75 -999 ? NI NI A 200 >HIS~A 130 4.66 57.47 79.45 5.11 56.64 81.32 4.89 57.05 80.38 3 0 6.26 -999 ? NI NI A 200 >HIS~A 131 2.23 61.07 81.45 3.87 61.15 82.75 3.05 61.11 82.10 3 0 -3.49 -999 ? NI NI A 200s >LYS~A 132 -2.39 59.13 78.07 -3.06 58.72 73.08 -2.73 58.92 75.58 2 0 10.96 -999 ? NI NI B 200 >GLY~A 133 -1.85 55.39 78.32 -1.96 55.97 78.92 -1.91 55.68 78.62 1 0 10.26 -999 ? NI NI B 200 >GLN~A 134 0.54 56.02 82.67 1.96 56.82 84.03 1.25 56.42 83.35 2 0 7.24 -999 ? NI NI A 200 >LEU~A 135 -4.97 59.30 81.16 -6.07 61.04 81.81 -5.52 60.17 81.48 3 0 11.94 -999 ? NI NI A 200 >PHE~A 136 -6.80 54.96 77.75 -7.74 55.95 75.34 -7.27 55.46 76.54 3 0 9.73 -999 ? NI NI B 200 >VAL~A 137 -6.13 52.98 83.25 -4.56 51.59 83.79 -5.34 52.29 83.52 3 0 12.83 -999 ? NI NI B 200 >TYR~A 138 -5.49 57.43 86.45 -3.13 57.93 87.84 -4.31 57.68 87.14 3 0 12.29 -999 ? NI NI A 200 >VAL~A 139 -10.50 56.37 83.83 -11.13 57.66 82.22 -10.81 57.02 83.02 3 0 16.27 -999 ? NI NI B 200 >ARG~A 140 -10.03 50.35 80.85 -12.49 49.25 79.39 -11.26 49.80 80.12 2 0 11.82 -999 ? NI NI B 200 >GLY~A 141 -10.65 52.46 87.34 -11.20 52.94 86.96 -10.92 52.70 87.15 1 0 17.81 -999 ? NI NI B 200 >MET?A 142 -13.19 55.20 88.01 -11.66 58.98 86.89 -12.43 57.09 87.45 2 0 18.56 -999 ? NI NI A 200 >GLY~A 143 -15.72 52.99 86.27 -15.36 53.45 85.75 -15.54 53.22 86.01 1 0 19.65 -999 ? NI NI B 200 >HIS.A 144 -15.89 56.83 83.07 -16.38 58.41 84.37 -16.14 57.62 83.72 3 0 19.91 -999 ? NI NI B 200 >THR.A 145 -16.04 51.54 80.12 -16.77 49.57 80.60 -16.40 50.56 80.36 2 0 15.96 -999 ? NI NI B 200 >ASP.A 146 -18.16 53.92 76.51 -18.58 55.66 77.63 -18.37 54.79 77.07 2 0 17.84 -999 ? NI NI B 200 >LEU.A 147 -12.20 54.17 76.71 -12.20 54.52 78.87 -12.20 54.35 77.79 3 0 12.34 -999 ? NI NI B 200 >PRO.A 148 -12.13 58.28 74.12 -12.40 56.19 73.38 -12.26 57.24 73.75 3 0 12.86 -999 ? NI NI B 200 >LEU.A 149 -9.48 54.69 69.01 -10.14 53.15 67.67 -9.81 53.92 68.34 3 0 9.18 -999 ? NI NI B 200 >PHE.A 150 -4.03 54.50 71.36 -2.23 53.73 69.39 -3.13 54.11 70.37 3 0 6.37 -999 ? NI NI B 200 >VAL.A 151 -5.56 57.93 68.87 -4.15 57.58 67.26 -4.85 57.76 68.06 3 0 10.55 -999 ? NI NI B 200 >LYS.A 152 -7.89 59.81 66.50 -11.71 62.19 69.69 -9.80 61.00 68.10 2 0 16.50 -999 ? NI NI B 200 >ARG.A 153 -4.97 56.08 61.96 -6.43 54.70 64.31 -5.70 55.39 63.14 2 0 10.34 -999 ? NI NI B 200 >GLY.A 154 -8.25 61.07 59.69 -7.47 61.22 59.89 -7.86 61.14 59.79 1 0 18.34 -999 ? NI NI B 200 >SER.B -2 28.20 58.92 53.43 29.42 57.50 51.81 28.81 58.21 52.62 2 0 -39.20 -999 ? NI NI A 200s >ASN.B -1 23.88 58.09 55.59 22.69 59.63 54.72 23.29 58.86 55.15 2 0 32.83 -999 ? NI NI A 200 >ALA.B 0 26.44 57.11 59.25 26.72 57.89 60.54 26.58 57.50 59.89 2 0 30.79 -999 ? NI NI A 200 >MET?B 1 23.17 55.18 59.67 22.16 55.64 63.80 22.67 55.41 61.74 2 0 25.92 -999 ? NI NI A 200 >SER~B 2 20.29 53.92 57.52 20.33 51.55 58.05 20.31 52.74 57.78 2 0 27.83 -999 ? NI NI B 200 >ARG~B 3 14.06 56.61 56.15 12.03 57.62 54.12 13.05 57.11 55.14 2 0 25.45 -999 ? NI NI B 200 >ALA~B 4 16.18 51.26 59.37 16.68 50.03 58.62 16.43 50.64 59.00 2 0 24.26 -999 ? NI NI B 200 >LYS~B 5 18.95 51.72 61.92 22.69 49.67 59.70 20.82 50.69 60.81 2 0 29.01 -999 ? NI NI B 200 >LYS~B 6 17.37 54.94 63.20 19.03 59.80 59.49 18.20 57.37 61.35 2 0 26.88 -999 ? NI NI A 200 >TRP~B 7 12.59 54.31 60.51 9.27 55.36 62.33 10.93 54.84 61.42 3 0 19.13 -999 ? NI NI B 200 >VAL~B 8 15.52 50.31 65.33 16.59 48.53 64.76 16.06 49.42 65.05 3 0 20.88 -999 ? NI NI B 200 >GLN~B 9 18.48 54.68 68.57 20.12 55.99 68.22 19.30 55.33 68.40 2 0 21.37 -999 ? NI NI A 200 >TYR~B 10 11.91 55.83 67.69 9.59 57.14 68.46 10.75 56.49 68.08 3 0 16.71 -999 ? NI NI A 200 >PHE~B 11 11.59 48.66 68.20 10.61 46.19 69.04 11.10 47.42 68.62 3 0 15.11 -999 ? NI NI B 200 >LEU~B 12 16.05 49.32 70.94 16.37 47.30 70.13 16.21 48.31 70.54 3 0 19.95 -999 ? NI NI B 200 >SER~B 13 14.74 52.94 73.33 13.71 54.76 72.05 14.23 53.85 72.69 2 0 15.43 -999 ? NI NI A 200 >HIS~B 14 9.82 53.99 73.40 9.52 56.05 73.58 9.67 55.02 73.49 3 0 12.63 -999 ? NI NI A 200 >ARG~B 15 10.04 45.33 73.45 8.03 44.62 71.23 9.03 44.97 72.34 2 0 12.19 -999 ? NI NI B 200 >HIS~B 16 16.31 48.03 75.32 17.56 47.01 73.98 16.94 47.52 74.65 3 0 20.37 -999 ? NI NI A 200 >VAL~B 17 11.93 49.62 78.99 11.59 51.67 79.54 11.76 50.64 79.27 3 0 13.78 -999 ? NI NI A 200 >THR~B 18 8.97 47.39 78.14 7.56 47.19 76.57 8.26 47.29 77.36 2 0 12.34 -999 ? NI NI B 200 >MET?B 19 11.21 44.40 78.72 13.10 42.66 75.50 12.15 43.53 77.11 2 0 18.03 -999 ? NI NI B 200 >GLU~B 20 14.03 47.21 83.50 15.27 48.94 83.46 14.65 48.07 83.48 2 0 16.53 -999 ? NI NI A 200 >LEU~B 21 7.87 47.00 82.54 7.55 49.08 83.06 7.71 48.04 82.80 3 0 14.72 -999 ? NI NI A 200 >ILE~B 22 8.10 42.08 80.54 7.57 41.47 79.36 7.83 41.77 79.95 3 0 15.51 -999 ? NI NI B 200 >HIS~B 23 12.88 40.70 82.69 13.70 39.97 80.89 13.29 40.34 81.79 3 0 21.21 -999 ? NI NI B 200 >LYS~B 24 9.26 42.57 87.22 12.30 47.00 86.86 10.78 44.78 87.04 2 0 17.33 -999 ? NI NI A 200 >ILE~B 25 5.24 40.70 85.31 4.06 41.20 84.63 4.65 40.95 84.97 3 0 17.23 -999 ? NI NI B 200 >ASP~B 26 6.64 36.81 89.65 5.66 38.07 91.03 6.15 37.44 90.34 2 0 23.71 -999 ? NI NI B 200 >GLU~B 27 5.41 32.29 86.41 4.69 31.66 84.52 5.05 31.97 85.46 2 0 22.38 -999 ? NI NI B 200 >ALA~B 28 1.85 35.06 90.33 2.38 35.25 91.74 2.11 35.15 91.03 2 0 24.55 -999 ? NI NI B 200 >HIS~B 29 1.73 39.93 90.54 2.04 40.35 92.58 1.89 40.14 91.56 3 0 22.14 -999 ? NI NI B 200 >TYR~B 30 1.99 35.45 84.14 4.56 34.92 83.19 3.28 35.18 83.67 3 0 18.87 -999 ? NI NI B 200 >ASP.B 31 -4.19 36.30 85.93 -3.75 35.48 87.83 -3.97 35.89 86.88 2 0 20.44 -999 ? NI NI B 200 >TYR.B 32 -2.26 42.90 88.67 -2.68 45.46 89.68 -2.47 44.18 89.17 3 0 18.01 -999 ? NI NI B 200 >LYS.B 33 -5.76 43.53 86.49 -10.60 41.32 84.26 -8.18 42.43 85.37 2 0 15.84 -999 ? NI NI B 200 >PRO.B 34 -4.59 47.57 85.80 -5.80 46.52 87.38 -5.20 47.04 86.59 3 0 15.10 -999 ? NI NI B 200 >THR.B 35 -9.66 47.15 87.08 -9.80 48.65 85.50 -9.73 47.90 86.29 2 0 15.20 -999 ? NI NI B 200 >PRO.B 36 -13.45 45.56 88.31 -11.96 45.08 86.72 -12.70 45.32 87.51 3 0 18.47 -999 ? NI NI B 200 >THR.B 37 -12.58 45.46 82.84 -14.02 47.07 82.86 -13.30 46.27 82.85 2 0 15.30 -999 ? NI NI B 200 >SER.B 38 -8.84 45.78 82.10 -8.21 47.85 83.23 -8.53 46.81 82.66 2 0 12.48 -999 ? NI NI B 200 >MET?B 39 -6.60 43.28 80.33 -4.96 43.97 76.39 -5.78 43.63 78.36 2 0 6.32 -999 ? NI NI B 200 >THR~B 40 -4.48 41.04 82.51 -4.94 38.99 82.16 -4.71 40.01 82.34 2 0 13.87 -999 ? NI NI B 200 >ALA~B 41 -0.79 41.89 82.73 0.07 41.76 83.94 -0.36 41.83 83.33 2 0 14.29 -999 ? NI NI B 200 >LYS~B 42 -0.04 38.83 80.63 0.81 32.61 79.92 0.39 35.72 80.27 2 0 17.97 -999 ? NI NI B 200 >GLN~B 43 -4.87 38.69 78.46 -6.83 38.88 79.25 -5.85 38.79 78.85 2 0 12.22 -999 ? NI NI B 200 >LEU~B 44 -1.18 44.30 79.08 -1.18 46.47 78.82 -1.18 45.38 78.95 3 0 8.17 -999 ? NI NI B 200 >ALA~B 45 2.34 42.33 77.48 3.17 41.64 78.56 2.76 41.98 78.02 2 0 11.62 -999 ? NI NI B 200 >THR~B 46 1.46 39.69 74.92 0.69 37.70 75.01 1.07 38.70 74.97 2 0 11.61 -999 ? NI NI B 200 >HIS~B 47 -2.32 44.06 72.61 -3.01 45.53 71.28 -2.67 44.79 71.94 3 0 -3.28 -999 ? NI NI B 200s >MET?B 48 2.27 44.59 72.76 3.09 46.65 76.43 2.68 45.62 74.59 2 0 8.43 -999 ? NI NI B 200 >LEU~B 49 5.15 40.72 72.30 6.50 40.76 74.00 5.83 40.74 73.15 3 0 12.01 -999 ? NI NI B 200 >PHE~B 50 1.72 38.28 69.89 2.48 35.92 71.14 2.10 37.10 70.52 3 0 12.29 -999 ? NI NI B 200 >SER~B 51 0.90 43.69 67.67 0.80 45.53 69.27 0.85 44.61 68.47 2 0 5.59 -999 ? NI NI B 200 >PHE~B 52 6.11 46.95 67.55 7.46 49.17 66.60 6.79 48.06 67.08 3 0 11.42 -999 ? NI NI B 200 >TYR~B 53 5.87 39.71 64.84 6.55 37.82 62.93 6.21 38.76 63.88 3 0 15.52 -999 ? NI NI B 200 >ASN~B 54 1.06 42.27 63.35 0.50 40.26 63.78 0.78 41.26 63.57 2 0 11.69 -999 ? NI NI B 200 >PHE~B 55 2.13 47.92 63.57 -0.21 49.23 64.29 0.96 48.58 63.93 3 0 8.99 -999 ? NI NI B 200 >ALA~B 56 6.88 45.34 61.37 7.97 44.90 62.38 7.43 45.12 61.88 2 0 15.17 -999 ? NI NI B 200 >ASN~B 57 5.14 41.06 59.99 5.35 39.25 58.92 5.24 40.15 59.45 2 0 17.80 -999 ? NI NI B 200 >THR~B 58 3.51 44.14 57.35 1.44 44.66 57.67 2.48 44.40 57.51 2 0 15.18 -999 ? NI NI B 200 >ALA~B 59 5.87 47.06 56.90 6.47 47.85 58.03 6.17 47.46 57.46 2 0 16.96 -999 ? NI NI B 200 >LYS~B 60 8.80 44.88 55.88 13.10 43.02 54.59 10.95 43.95 55.24 2 0 24.39 -999 ? NI NI B 200 >HIS~B 61 7.28 40.65 54.05 8.62 39.33 54.98 7.95 39.99 54.52 3 0 22.13 -999 ? NI NI B 200 >GLY.B 62 4.69 45.94 52.21 4.51 45.18 52.40 4.60 45.56 52.30 1 0 21.21 -999 ? NI NI B 200 >ASP~B 63 2.13 42.03 52.39 0.47 40.85 51.86 1.30 41.44 52.13 2 0 21.35 -999 ? NI NI B 200 >PRO~B 64 -1.46 46.27 52.66 -0.86 44.56 53.98 -1.16 45.41 53.32 3 0 18.61 -999 ? NI NI B 200 >SER~B 65 -2.88 41.19 54.60 -1.65 39.74 53.09 -2.27 40.47 53.85 2 0 20.31 -999 ? NI NI B 200 >LEU~B 66 1.32 40.56 56.78 2.59 39.33 55.38 1.96 39.95 56.08 3 0 18.31 -999 ? NI NI B 200 >PHE~B 67 -2.04 44.92 60.51 -2.16 46.51 62.79 -2.10 45.72 61.65 3 0 10.30 -999 ? NI NI B 200 >ARG~B 68 -7.09 42.80 62.40 -8.60 45.06 61.01 -7.84 43.93 61.71 2 0 11.99 -999 ? NI NI B 200 >GLN~B 69 -0.39 36.00 60.44 1.44 35.83 59.36 0.52 35.91 59.90 2 0 17.92 -999 ? NI NI B 200 >LYS.B 70 -3.10 35.46 63.98 -4.39 32.66 68.36 -3.75 34.06 66.17 2 0 15.57 -999 ? NI NI B 200 >ILE.B 71 0.96 35.66 66.56 2.14 36.43 66.64 1.55 36.04 66.60 3 0 13.88 -999 ? NI NI B 200 >GLU.B 72 -1.36 29.09 67.96 -3.00 28.09 67.12 -2.18 28.59 67.54 2 0 20.30 -999 ? NI NI B 200 >GLU.B 73 4.89 31.99 70.78 5.96 30.94 69.30 5.42 31.46 70.04 2 0 19.64 -999 ? NI NI B 200 >PRO.B 74 4.07 27.04 70.96 3.09 28.55 72.31 3.58 27.80 71.63 3 0 21.36 -999 ? NI NI B 200 >GLU.B 75 7.70 31.40 75.35 8.77 29.60 75.69 8.23 30.50 75.52 2 0 22.51 -999 ? NI NI B 200 >THR.B 76 3.75 30.69 78.11 3.17 29.01 79.37 3.46 29.85 78.74 2 0 21.54 -999 ? NI NI B 200 >ASN~B 77 8.09 31.62 80.10 9.54 32.90 80.98 8.82 32.26 80.54 2 0 22.09 -999 ? NI NI B 200 >LEU~B 78 5.82 37.04 80.25 4.28 38.38 79.68 5.05 37.71 79.97 3 0 15.82 -999 ? NI NI B 200 >ALA~B 79 10.03 36.98 79.54 10.91 36.77 80.75 10.47 36.87 80.15 2 0 20.53 -999 ? NI NI B 200 >LYS~B 80 11.14 34.39 76.98 12.23 30.13 74.00 11.68 32.26 75.49 2 0 23.98 -999 ? NI NI B 200 >LEU~B 81 6.83 35.34 75.15 5.16 34.92 73.86 6.00 35.13 74.50 3 0 16.29 -999 ? NI NI B 200 >ALA~B 82 9.36 38.95 75.10 9.50 39.69 76.43 9.43 39.32 75.76 2 0 16.28 -999 ? NI NI B 200 >GLU~B 83 13.73 37.71 76.40 15.40 38.28 77.55 14.57 38.00 76.97 2 0 22.20 -999 ? NI NI B 200 >THR~B 84 11.98 36.14 71.18 11.16 34.15 70.96 11.57 35.14 71.07 2 0 20.25 -999 ? NI NI B 200 >TYR~B 85 7.31 37.60 69.32 5.99 35.49 68.09 6.65 36.54 68.70 3 0 15.63 -999 ? NI NI B 200 >THR~B 86 11.72 41.61 70.32 12.32 42.86 71.94 12.02 42.24 71.13 2 0 16.80 -999 ? NI NI B 200 >GLU~B 87 16.41 38.39 67.77 17.78 39.99 67.51 17.10 39.19 67.64 2 0 23.25 -999 ? NI NI B 200 >LYS~B 88 12.13 39.01 65.47 8.31 34.33 64.97 10.22 36.67 65.22 2 0 19.29 -999 ? NI NI B 200 >THR~B 89 10.73 42.54 65.40 9.14 43.48 66.47 9.93 43.01 65.93 2 0 14.51 -999 ? NI NI B 200 >ARG~B 90 17.67 44.25 67.27 18.95 42.84 64.88 18.31 43.55 66.07 2 0 24.16 -999 ? NI NI B 200 >GLN~B 91 16.98 40.08 63.20 17.26 38.00 63.57 17.12 39.04 63.39 2 0 24.53 -999 ? NI NI B 200 >LEU~B 92 10.93 42.54 60.79 9.65 40.86 60.36 10.29 41.70 60.58 3 0 18.85 -999 ? NI NI B 200 >ILE~B 93 12.71 47.28 61.99 12.07 48.20 62.81 12.39 47.74 62.40 3 0 18.53 -999 ? NI NI B 200 >GLU~B 94 18.92 46.25 61.53 20.52 45.00 62.03 19.72 45.62 61.78 2 0 26.20 -999 ? NI NI B 200 >SER~B 95 16.30 44.42 57.03 14.37 42.97 57.03 15.33 43.70 57.03 2 0 23.73 -999 ? NI NI B 200 >MET?B 96 14.41 47.27 55.39 10.69 48.07 57.45 12.55 47.67 56.42 2 0 20.18 -999 ? NI NI B 200 >SER.B 97 15.82 49.56 52.72 14.51 49.56 50.66 15.16 49.56 51.69 2 0 27.80 -999 ? NI NI B 200 >ASP.B 98 16.41 54.37 52.76 17.84 54.20 54.30 17.12 54.28 53.53 2 0 28.34 -999 ? NI NI B 200 >ASP~B 99 13.07 52.88 48.60 13.92 54.40 47.43 13.50 53.64 48.01 2 0 30.61 -999 ? NI NI B 200 >ASP~B 100 11.23 49.58 52.65 12.06 48.08 51.39 11.65 48.83 52.02 2 0 25.63 -999 ? NI NI B 200 >PHE~B 101 11.61 53.23 56.22 12.86 51.45 57.96 12.24 52.34 57.09 3 0 22.01 -999 ? NI NI B 200 >ASP~B 102 9.23 56.21 50.55 10.58 57.53 51.45 9.90 56.87 51.00 2 0 26.51 -999 ? NI NI B 200 >ARG.B 103 6.02 48.90 49.46 7.80 48.04 51.79 6.91 48.47 50.62 2 0 22.90 -999 ? NI NI B 200 >THR^B 104 2.49 53.38 50.38 1.12 54.77 49.49 1.81 54.07 49.94 2 0 23.64 -999 ? NI NI B 200 >LEU^B 105 0.69 50.51 53.68 2.32 49.30 54.44 1.50 49.90 54.06 3 0 18.40 -999 ? NI NI B 200 >ASP^B 106 -3.70 49.60 49.93 -5.71 50.00 49.43 -4.70 49.80 49.68 2 0 22.35 -999 ? NI NI B 200 >LEU~B 107 -4.07 50.46 55.76 -2.15 49.63 56.32 -3.11 50.04 56.04 3 0 15.71 -999 ? NI NI B 200 >THR~B 108 -8.48 51.18 53.91 -9.09 52.29 52.18 -8.78 51.74 53.04 2 0 20.62 -999 ? NI NI B 200 >ALA~B 109 -9.85 47.76 54.78 -9.41 46.46 54.15 -9.63 47.11 54.46 2 0 18.40 -999 ? NI NI B 200 >ILE~B 110 -6.86 47.59 58.32 -5.95 46.48 58.64 -6.41 47.03 58.48 3 0 13.41 -999 ? NI NI B 200 >PHE~B 111 -5.35 51.56 60.11 -3.62 50.03 61.63 -4.48 50.80 60.87 3 0 11.13 -999 ? NI NI B 200 >GLY~B 112 -9.96 53.03 56.41 -9.15 53.19 56.55 -9.56 53.11 56.48 1 0 17.20 -999 ? NI NI B 200 >THR.B 113 -7.07 54.87 54.81 -6.06 56.10 56.26 -6.57 55.48 55.53 2 0 17.55 -999 ? NI NI B 200 >GLN^B 114 -4.61 53.96 50.57 -3.93 53.54 48.60 -4.27 53.75 49.58 2 0 23.68 -999 ? NI NI B 200 >MET?B 115 -0.57 55.54 54.58 -1.13 54.51 58.72 -0.85 55.03 56.65 2 0 14.70 -999 ? NI NI B 200 >SER^B 116 3.19 55.68 54.10 4.45 57.32 55.41 3.82 56.50 54.75 2 0 20.43 -999 ? NI NI B 200 >THR~B 117 5.16 52.86 55.69 6.22 51.15 54.97 5.69 52.01 55.33 2 0 19.64 -999 ? NI NI B 200 >ALA~B 118 6.82 55.45 57.94 7.66 56.62 57.48 7.24 56.03 57.71 2 0 20.12 -999 ? NI NI B 200 >GLN~B 119 2.58 58.88 58.01 1.13 59.58 56.62 1.85 59.23 57.31 2 0 19.61 -999 ? NI NI B 200 >PHE~B 120 1.94 50.83 59.01 0.98 48.29 59.64 1.46 49.56 59.32 3 0 13.42 -999 ? NI NI B 200 >LEU~B 121 6.98 52.39 61.34 7.83 50.52 60.72 7.40 51.45 61.03 3 0 15.74 -999 ? NI NI B 200 >GLN~B 122 4.90 58.13 64.42 6.69 58.06 65.62 5.79 58.10 65.02 2 0 15.73 -999 ? NI NI B 200 >LEU~B 123 0.49 53.99 63.60 -1.56 53.62 64.21 -0.54 53.80 63.90 3 0 10.21 -999 ? NI NI B 200 >ALA~B 124 3.18 51.10 65.85 4.05 50.17 65.04 3.62 50.63 65.45 2 0 10.41 -999 ? NI NI B 200 >MET?B 125 5.48 53.13 68.08 8.67 52.39 68.19 7.07 52.76 68.14 2 0 13.60 -999 ? NI NI B 200 >ASP~B 126 1.64 56.06 68.52 2.59 57.74 67.61 2.12 56.90 68.07 2 0 12.36 -999 ? NI NI B 200 >HIS~B 127 -0.49 49.90 69.57 -1.58 48.22 70.20 -1.03 49.06 69.88 3 0 -3.39 -999 ? NI NI B 200s >GLU~B 128 6.22 49.89 72.47 6.53 47.80 72.69 6.38 48.85 72.58 2 0 10.30 -999 ? NI NI B 200 >ILE~B 129 4.76 55.13 73.42 5.56 56.16 73.12 5.16 55.65 73.27 3 0 11.91 -999 ? NI NI B 200 >HIS~B 130 -1.80 53.58 74.24 -3.72 53.34 75.05 -2.76 53.46 74.64 3 0 6.43 -999 ? NI NI B 200 >HIS~B 131 -0.84 48.87 74.75 -2.78 48.61 73.98 -1.81 48.74 74.37 3 0 -3.48 -999 ? NI NI B 200s >LYS~B 132 3.87 50.76 78.03 7.99 53.62 76.97 5.93 52.19 77.50 2 0 10.98 -999 ? NI NI A 200 >GLY~B 133 2.28 53.70 79.82 2.05 52.89 79.79 2.17 53.30 79.80 1 0 10.21 -999 ? NI NI A 200 >GLN~B 134 -2.21 51.61 79.28 -3.86 50.70 78.33 -3.04 51.16 78.80 2 0 7.31 -999 ? NI NI B 200 >LEU~B 135 3.12 48.16 81.00 3.76 46.12 81.03 3.44 47.14 81.01 3 0 11.86 -999 ? NI NI B 200 >PHE~B 136 5.50 52.83 83.51 8.16 53.07 82.79 6.83 52.95 83.15 3 0 9.75 -999 ? NI NI A 200 >VAL~B 137 0.38 51.51 86.17 -1.37 52.80 85.97 -0.50 52.15 86.07 3 0 12.80 -999 ? NI NI A 200 >TYR~B 138 -1.09 46.53 84.31 -3.39 46.15 82.78 -2.24 46.34 83.54 3 0 12.14 -999 ? NI NI B 200 >VAL~B 139 3.51 47.23 87.70 5.47 46.89 86.86 4.49 47.06 87.28 3 0 16.29 -999 ? NI NI A 200 >ARG~B 140 3.78 53.65 89.63 5.98 54.51 91.57 4.88 54.08 90.60 2 0 11.93 -999 ? NI NI A 200 >GLY~B 141 -0.19 48.26 91.28 0.57 47.93 91.29 0.19 48.09 91.28 1 0 17.82 -999 ? NI NI A 200 >MET?B 142 1.61 44.95 91.90 2.65 43.17 88.22 2.13 44.06 90.06 2 0 18.42 -999 ? NI NI B 200 >GLY~B 143 3.76 46.88 94.32 4.09 46.89 93.61 3.93 46.88 93.97 1 0 19.64 -999 ? NI NI A 200 >HIS~B 144 7.39 45.53 91.16 7.16 43.44 91.08 7.27 44.48 91.12 3 0 20.00 -999 ? NI NI A 200 >THR~B 145 8.22 51.18 93.20 7.73 52.21 95.02 7.97 51.70 94.11 2 0 16.11 -999 ? NI NI A 200 >ASP~B 146 12.89 50.63 92.12 12.76 48.54 91.86 12.83 49.59 91.99 2 0 18.03 -999 ? NI NI A 200 >LEU~B 147 9.26 52.24 87.63 7.72 50.81 88.20 8.49 51.52 87.91 3 0 12.47 -999 ? NI NI A 200 >PRO~B 148 12.35 50.48 84.32 12.44 52.44 85.41 12.40 51.46 84.87 3 0 13.02 -999 ? NI NI A 200 >LEU~B 149 13.58 56.90 82.47 14.57 58.59 83.35 14.07 57.75 82.91 3 0 9.39 -999 ? NI NI A 200 >PHE~B 150 8.55 57.53 79.41 8.75 59.77 77.76 8.65 58.65 78.59 3 0 6.42 -999 ? NI NI A 200 >VAL~B 151 12.34 55.71 77.71 12.60 57.33 76.24 12.47 56.52 76.97 3 0 10.66 -999 ? NI NI A 200 >LYS~B 152 16.02 54.74 77.50 16.61 49.97 80.21 16.31 52.35 78.85 2 0 16.71 -999 ? NI NI A 200 >ARG~B 153 18.69 60.06 78.43 16.83 61.33 76.36 17.76 60.70 77.40 2 0 12.65 -999 ? NI NI A 200 >GLY~B 154 19.61 55.02 73.87 18.82 54.89 74.08 19.21 54.96 73.97 1 0 17.97 -999 ? NI NI A 200 >SER~C -2 2.40 -11.52 23.65 1.44 -13.15 22.13 1.92 -12.33 22.89 2 0 -38.22 -999 ? NI NI D 200s >ASN~C -1 1.14 -7.08 25.19 2.63 -5.57 24.93 1.89 -6.33 25.06 2 0 31.53 -999 ? NI NI D 200 >ALA~C 0 0.40 -8.97 29.27 1.24 -8.68 30.51 0.82 -8.83 29.89 2 0 29.20 -999 ? NI NI D 200 >MET?C 1 -2.37 -6.33 29.29 -1.83 -5.42 33.45 -2.10 -5.88 31.37 2 0 26.10 -999 ? NI NI D 200 >SER~C 2 -3.67 -3.24 27.48 -5.97 -2.72 28.08 -4.82 -2.98 27.78 2 0 28.24 -999 ? NI NI C 200 >ARG~C 3 0.01 2.19 25.55 1.41 3.78 23.35 0.71 2.99 24.45 2 0 25.73 -999 ? NI NI C 200 >ALA~C 4 -5.56 1.62 29.03 -6.90 1.39 28.38 -6.23 1.50 28.71 2 0 24.58 -999 ? NI NI C 200 >LYS~C 5 -5.66 -1.04 31.73 -8.68 -4.24 29.81 -7.17 -2.64 30.77 2 0 29.33 -999 ? NI NI C 200 >LYS~C 6 -2.13 -0.20 32.85 2.01 -3.21 29.12 -0.06 -1.71 30.99 2 0 26.97 -999 ? NI NI D 200 >TRP~C 7 -1.70 4.44 29.82 0.19 7.51 31.39 -0.76 5.98 30.60 3 0 19.43 -999 ? NI NI C 200 >VAL~C 8 -6.07 2.84 34.93 -8.09 2.18 34.47 -7.08 2.51 34.70 3 0 21.23 -999 ? NI NI C 200 >GLN~C 9 -2.45 -0.85 38.25 -1.60 -2.77 37.97 -2.02 -1.81 38.11 2 0 21.39 -999 ? NI NI D 200 >TYR~C 10 0.23 5.15 36.88 2.11 7.13 37.44 1.17 6.14 37.16 3 0 16.78 -999 ? NI NI D 200 >PHE~C 11 -6.63 7.25 37.54 -8.74 8.85 38.40 -7.69 8.05 37.97 3 0 15.43 -999 ? NI NI C 200 >LEU~C 12 -6.97 2.94 40.58 -9.03 3.06 39.85 -8.00 3.00 40.21 3 0 20.25 -999 ? NI NI C 200 >SER~C 13 -3.06 3.47 42.77 -1.05 3.94 41.49 -2.05 3.70 42.13 2 0 15.35 -999 ? NI NI D 200 >HIS~C 14 -0.83 7.99 42.50 1.25 7.79 42.60 0.21 7.89 42.55 3 0 12.63 -999 ? NI NI D 200 >ARG~C 15 -9.30 9.89 42.74 -9.58 11.85 40.39 -9.44 10.87 41.57 2 0 12.49 -999 ? NI NI C 200 >HIS~C 16 -8.13 3.31 44.97 -9.45 2.25 43.74 -8.79 2.78 44.36 3 0 20.31 -999 ? NI NI D 200 >VAL~C 17 -5.39 7.36 48.33 -3.26 7.24 48.75 -4.32 7.30 48.54 3 0 13.69 -999 ? NI NI D 200 >THR~C 18 -6.85 10.71 47.31 -6.76 12.04 45.63 -6.80 11.37 46.47 2 0 12.51 -999 ? NI NI C 200 >MET?C 19 -10.27 9.35 48.08 -12.47 7.79 45.03 -11.37 8.57 46.56 2 0 18.15 -999 ? NI NI C 200 >GLU~C 20 -8.02 6.20 53.00 -6.67 4.56 53.02 -7.34 5.38 53.01 2 0 16.41 -999 ? NI NI D 200 >LEU~C 21 -6.79 12.15 51.64 -4.67 11.98 52.07 -5.73 12.07 51.85 3 0 14.60 -999 ? NI NI D 200 >ILE~C 22 -11.69 13.00 49.75 -12.18 13.58 48.56 -11.94 13.29 49.15 3 0 15.62 -999 ? NI NI C 200 >HIS~C 23 -14.10 8.86 52.25 -15.06 8.13 50.53 -14.58 8.49 51.39 3 0 21.33 -999 ? NI NI C 200 >LYS~C 24 -11.22 12.20 56.46 -7.71 8.12 56.26 -9.46 10.16 56.36 2 0 17.20 -999 ? NI NI D 200 >ILE~C 25 -12.14 16.41 54.36 -11.37 17.38 53.60 -11.76 16.89 53.98 3 0 17.23 -999 ? NI NI C 200 >ASP~C 26 -16.08 16.28 58.87 -14.56 17.01 60.15 -15.32 16.65 59.51 2 0 23.67 -999 ? NI NI C 200 >GLU~C 27 -20.28 18.39 55.64 -20.80 19.13 53.72 -20.54 18.76 54.68 2 0 22.38 -999 ? NI NI C 200 >ALA~C 28 -16.59 21.39 59.26 -16.46 20.87 60.68 -16.52 21.13 59.97 2 0 24.45 -999 ? NI NI C 200 >HIS~C 29 -11.82 20.31 59.35 -11.41 20.03 61.39 -11.62 20.17 60.37 3 0 22.04 -999 ? NI NI C 200 >TYR~C 30 -16.49 20.76 53.09 -17.68 18.37 52.35 -17.08 19.57 52.72 3 0 18.87 -999 ? NI NI C 200 >ASP~C 31 -14.07 26.63 54.43 -14.89 26.53 56.38 -14.48 26.58 55.40 2 0 20.29 -999 ? NI NI C 200 >TYR~C 32 -8.06 23.32 57.15 -5.44 23.16 58.07 -6.75 23.24 57.61 3 0 17.87 -999 ? NI NI C 200 >LYS~C 33 -6.67 26.43 54.73 -7.73 31.55 52.22 -7.20 28.99 53.48 2 0 15.62 -999 ? NI NI C 200 >PRO~C 34 -3.05 24.28 54.03 -3.72 25.80 55.53 -3.39 25.04 54.78 3 0 14.91 -999 ? NI NI C 200 >THR~C 35 -2.17 29.36 54.97 -0.76 29.06 53.36 -1.47 29.21 54.16 2 0 14.97 -999 ? NI NI C 200 >PRO~C 36 -2.76 33.50 55.96 -3.66 32.05 54.50 -3.21 32.77 55.23 3 0 18.20 -999 ? NI NI C 200 >THR~C 37 -3.27 32.33 50.57 -1.36 33.34 50.48 -2.32 32.83 50.53 2 0 15.02 -999 ? NI NI C 200 >SER~C 38 -3.89 28.58 50.10 -2.01 27.51 51.22 -2.95 28.05 50.66 2 0 12.22 -999 ? NI NI C 200 >MET?C 39 -6.92 26.91 48.53 -6.77 24.96 44.67 -6.85 25.94 46.60 2 0 6.11 -999 ? NI NI C 200 >THR~C 40 -9.53 25.56 50.91 -11.44 26.46 50.55 -10.48 26.01 50.73 2 0 13.70 -999 ? NI NI C 200 >ALA~C 41 -9.60 21.81 51.34 -9.89 21.08 52.62 -9.74 21.44 51.98 2 0 14.22 -999 ? NI NI C 200 >LYS~C 42 -12.84 21.69 49.35 -19.11 22.36 48.84 -15.97 22.02 49.10 2 0 17.96 -999 ? NI NI C 200 >GLN~C 43 -11.87 26.24 46.88 -11.17 28.14 47.52 -11.52 27.19 47.20 2 0 12.02 -999 ? NI NI C 200 >LEU~C 44 -7.30 21.36 47.60 -5.21 20.78 47.32 -6.25 21.07 47.46 3 0 8.09 -999 ? NI NI C 200 >ALA~C 45 -10.15 18.35 46.32 -11.01 17.81 47.46 -10.58 18.08 46.89 2 0 11.67 -999 ? NI NI C 200 >THR~C 46 -12.57 19.71 43.77 -14.33 20.92 43.85 -13.45 20.32 43.81 2 0 11.67 -999 ? NI NI C 200 >HIS~C 47 -7.55 22.12 41.10 -6.02 22.38 39.69 -6.78 22.25 40.40 3 0 -3.38 -999 ? NI NI C 200s >MET?C 48 -8.11 17.57 41.52 -6.13 16.55 45.26 -7.12 17.06 43.39 2 0 8.51 -999 ? NI NI C 200 >LEU~C 49 -12.59 15.68 41.38 -12.83 14.43 43.14 -12.71 15.06 42.26 3 0 12.23 -999 ? NI NI C 200 >PHE~C 50 -14.21 19.48 38.79 -16.64 19.40 40.15 -15.43 19.44 39.47 3 0 12.43 -999 ? NI NI C 200 >SER~C 51 -8.85 18.80 36.38 -6.99 18.53 37.95 -7.92 18.67 37.16 2 0 5.89 -999 ? NI NI C 200 >PHE~C 52 -6.97 12.97 36.55 -5.21 11.05 35.65 -6.09 12.01 36.10 3 0 11.73 -999 ? NI NI C 200 >TYR~C 53 -14.03 14.77 33.98 -16.14 14.48 32.19 -15.08 14.63 33.09 3 0 15.80 -999 ? NI NI C 200 >ASN~C 54 -10.42 18.71 32.12 -12.23 19.77 32.57 -11.33 19.24 32.35 2 0 11.91 -999 ? NI NI C 200 >PHE~C 55 -5.22 16.29 32.28 -3.34 18.30 32.82 -4.28 17.30 32.55 3 0 9.31 -999 ? NI NI C 200 >ALA~C 56 -8.97 12.20 30.50 -9.59 11.32 31.58 -9.28 11.76 31.04 2 0 15.48 -999 ? NI NI C 200 >ASN~C 57 -12.72 14.86 29.07 -14.57 15.03 28.08 -13.65 14.95 28.58 2 0 18.06 -999 ? NI NI C 200 >THR~C 58 -9.48 15.52 26.27 -8.45 17.41 26.39 -8.97 16.47 26.33 2 0 15.50 -999 ? NI NI C 200 >ALA~C 59 -7.26 12.48 25.94 -6.60 11.77 27.12 -6.93 12.12 26.53 2 0 17.25 -999 ? NI NI C 200 >LYS~C 60 -10.10 10.12 25.17 -12.98 6.33 24.21 -11.54 8.23 24.69 2 0 24.72 -999 ? NI NI C 200 >HIS~C 61 -13.89 12.50 23.31 -15.45 11.59 24.37 -14.67 12.04 23.84 3 0 22.43 -999 ? NI NI C 200 >GLY~C 62 -8.21 13.62 21.17 -8.89 14.02 21.39 -8.55 13.82 21.28 1 0 21.50 -999 ? NI NI C 200 >ASP~C 63 -11.36 17.06 21.28 -12.13 18.93 20.67 -11.74 18.00 20.98 2 0 21.58 -999 ? NI NI C 200 >PRO~C 64 -6.37 19.51 21.22 -8.10 19.40 22.63 -7.24 19.46 21.92 3 0 18.81 -999 ? NI NI C 200 >SER~C 65 -10.86 22.23 23.17 -12.62 21.31 21.78 -11.74 21.77 22.48 2 0 20.49 -999 ? NI NI C 200 >LEU~C 66 -12.55 18.46 25.76 -14.09 17.42 24.56 -13.32 17.94 25.16 3 0 18.50 -999 ? NI NI C 200 >PHE~C 67 -7.22 20.88 29.04 -5.56 20.77 31.26 -6.39 20.83 30.15 3 0 10.51 -999 ? NI NI C 200 >ARG~C 68 -7.97 26.41 30.64 -5.48 27.22 29.07 -6.73 26.82 29.85 2 0 12.04 -999 ? NI NI C 200 >GLN~C 69 -16.30 21.48 29.27 -16.96 19.69 28.33 -16.63 20.58 28.80 2 0 18.15 -999 ? NI NI C 200 >LYS~C 70 -16.01 24.45 32.62 -18.23 26.67 36.97 -17.12 25.56 34.80 2 0 15.60 -999 ? NI NI C 200 >ILE~C 71 -16.68 20.66 35.47 -16.22 19.32 35.61 -16.45 19.99 35.54 3 0 14.03 -999 ? NI NI C 200 >GLU~C 72 -22.46 24.58 36.87 -23.07 26.36 35.93 -22.76 25.47 36.40 2 0 20.37 -999 ? NI NI C 200 >GLU~C 73 -21.05 17.99 40.04 -22.38 17.12 38.66 -21.72 17.55 39.35 2 0 19.80 -999 ? NI NI C 200 >PRO~C 74 -25.64 20.04 40.24 -23.88 20.68 41.51 -24.76 20.36 40.88 3 0 21.46 -999 ? NI NI C 200 >GLU~C 75 -22.14 15.71 44.81 -24.13 15.15 45.26 -23.14 15.43 45.03 2 0 22.64 -999 ? NI NI C 200 >THR~C 76 -21.75 19.86 47.30 -23.16 20.92 48.55 -22.45 20.40 47.93 2 0 21.54 -999 ? NI NI C 200 >ASN~C 77 -21.84 15.56 49.57 -20.92 13.90 50.52 -21.38 14.73 50.04 2 0 22.19 -999 ? NI NI C 200 >LEU~C 78 -16.04 16.45 49.43 -14.38 17.58 48.73 -15.21 17.02 49.08 3 0 15.89 -999 ? NI NI C 200 >ALA~C 79 -17.14 12.34 49.01 -17.53 11.62 50.29 -17.33 11.98 49.65 2 0 20.65 -999 ? NI NI C 200 >LYS~C 80 -20.02 11.74 46.59 -24.53 11.53 43.78 -22.27 11.64 45.18 2 0 24.16 -999 ? NI NI C 200 >LEU~C 81 -18.15 15.58 44.46 -18.21 17.21 43.09 -18.18 16.40 43.77 3 0 16.46 -999 ? NI NI C 200 >ALA~C 82 -15.23 12.22 44.48 -14.48 11.98 45.78 -14.85 12.10 45.13 2 0 16.43 -999 ? NI NI C 200 >GLU~C 83 -17.44 8.38 46.12 -17.26 6.70 47.37 -17.35 7.54 46.75 2 0 22.39 -999 ? NI NI C 200 >THR~C 84 -18.73 10.16 40.84 -20.51 11.38 40.62 -19.62 10.77 40.73 2 0 20.49 -999 ? NI NI C 200 >TYR~C 85 -16.27 14.19 38.62 -18.03 15.91 37.33 -17.15 15.05 37.98 3 0 15.84 -999 ? NI NI C 200 >THR~C 86 -13.40 9.00 39.82 -12.27 8.22 41.45 -12.84 8.61 40.64 2 0 17.04 -999 ? NI NI C 200 >GLU~C 87 -17.78 5.09 37.70 -16.57 3.35 37.51 -17.17 4.22 37.61 2 0 23.54 -999 ? NI NI C 200 >LYS~C 88 -16.20 8.93 35.11 -19.84 13.76 34.42 -18.02 11.35 34.77 2 0 19.51 -999 ? NI NI C 200 >THR~C 89 -12.45 9.40 34.87 -11.11 10.78 35.77 -11.78 10.09 35.32 2 0 14.82 -999 ? NI NI C 200 >ARG~C 90 -12.43 2.42 37.16 -14.20 1.36 34.89 -13.31 1.89 36.03 2 0 24.47 -999 ? NI NI C 200 >GLN~C 91 -16.44 3.86 33.17 -18.52 4.10 33.57 -17.48 3.98 33.37 2 0 24.83 -999 ? NI NI C 200 >LEU~C 92 -12.66 8.94 30.29 -14.00 10.58 29.78 -13.33 9.76 30.04 3 0 19.14 -999 ? NI NI C 200 >ILE~C 93 -8.48 6.13 31.49 -7.40 6.53 32.26 -7.94 6.33 31.88 3 0 18.87 -999 ? NI NI C 200 >GLU~C 94 -10.99 0.35 31.45 -12.60 -0.85 32.09 -11.80 -0.25 31.77 2 0 26.52 -999 ? NI NI C 200 >SER~C 95 -12.31 3.05 26.84 -13.24 5.28 26.70 -12.77 4.17 26.77 2 0 24.05 -999 ? NI NI C 200 >MET?C 96 -9.14 4.08 25.02 -7.40 7.54 26.88 -8.27 5.81 25.95 2 0 20.50 -999 ? NI NI C 200 >SER~C 97 -7.38 1.99 22.39 -7.15 3.11 20.25 -7.26 2.55 21.32 2 0 28.12 -999 ? NI NI C 200 >ASP~C 98 -2.87 0.25 22.37 -3.31 -1.00 24.02 -3.09 -0.38 23.19 2 0 28.65 -999 ? NI NI C 200 >ASP~C 99 -3.67 3.58 18.01 -2.47 2.28 16.86 -3.07 2.93 17.44 2 0 30.94 -999 ? NI NI C 200 >ASP~C 100 -6.27 6.43 22.00 -7.96 5.93 20.84 -7.11 6.18 21.42 2 0 25.92 -999 ? NI NI C 200 >PHE~C 101 -2.66 5.37 25.54 -4.60 4.67 27.39 -3.63 5.02 26.46 3 0 22.33 -999 ? NI NI C 200 >ASP~C 102 0.60 6.60 19.64 1.59 5.02 20.61 1.09 5.81 20.13 2 0 26.78 -999 ? NI NI C 200 >ARG~C 103 -5.77 11.45 18.45 -6.93 10.07 20.95 -6.35 10.76 19.70 2 0 23.19 -999 ? NI NI C 200 >THR^C 104 -0.54 13.82 19.05 1.13 14.74 17.98 0.29 14.28 18.51 2 0 23.92 -999 ? NI NI C 200 >LEU^C 105 -2.74 16.46 22.30 -4.29 15.23 23.18 -3.52 15.84 22.74 3 0 18.63 -999 ? NI NI C 200 >ASP^C 106 -2.68 20.69 18.28 -1.82 22.51 17.62 -2.25 21.60 17.95 2 0 22.50 -999 ? NI NI C 200 >LEU~C 107 -1.54 21.21 24.05 -2.81 19.61 24.80 -2.18 20.41 24.43 3 0 15.85 -999 ? NI NI C 200 >THR~C 108 0.16 25.18 21.87 1.30 25.40 20.05 0.73 25.29 20.96 2 0 20.73 -999 ? NI NI C 200 >ALA~C 109 -2.80 27.42 22.72 -4.22 27.25 22.16 -3.51 27.33 22.44 2 0 18.48 -999 ? NI NI C 200 >ILE~C 110 -3.55 24.77 26.44 -4.84 24.17 26.88 -4.20 24.47 26.66 3 0 13.53 -999 ? NI NI C 200 >PHE~C 111 0.01 22.46 28.26 -1.84 21.23 29.90 -0.92 21.85 29.08 3 0 11.30 -999 ? NI NI C 200 >GLY~C 112 2.38 26.32 24.20 2.35 25.52 24.39 2.36 25.92 24.29 1 0 17.27 -999 ? NI NI C 200 >THR~C 113 3.40 22.97 22.76 4.41 21.78 24.25 3.91 22.38 23.51 2 0 17.68 -999 ? NI NI C 200 >GLN^C 114 1.75 20.53 18.75 1.14 19.86 16.83 1.44 20.20 17.79 2 0 23.85 -999 ? NI NI C 200 >MET?C 115 2.46 16.51 22.98 1.67 17.49 27.08 2.06 17.00 25.03 2 0 14.91 -999 ? NI NI C 200 >SER^C 116 1.69 12.80 22.75 2.99 11.29 24.15 2.34 12.05 23.45 2 0 20.63 -999 ? NI NI C 200 >THR~C 117 -1.47 11.68 24.55 -3.43 11.01 23.93 -2.45 11.35 24.24 2 0 19.94 -999 ? NI NI C 200 >ALA~C 118 0.73 9.57 26.84 1.65 8.45 26.38 1.19 9.01 26.61 2 0 20.42 -999 ? NI NI C 200 >GLN~C 119 5.09 12.85 26.57 6.07 13.98 25.04 5.58 13.41 25.80 2 0 19.82 -999 ? NI NI C 200 >PHE~C 120 -2.52 15.48 27.66 -4.71 17.08 28.28 -3.62 16.28 27.97 3 0 13.71 -999 ? NI NI C 200 >LEU~C 121 -2.14 10.36 30.26 -4.22 9.97 29.78 -3.18 10.17 30.02 3 0 16.09 -999 ? NI NI C 200 >GLN~C 122 4.04 11.17 33.12 3.61 9.53 34.43 3.82 10.35 33.78 2 0 15.99 -999 ? NI NI C 200 >LEU~C 123 1.07 16.41 32.07 1.20 18.50 32.57 1.14 17.45 32.32 3 0 10.43 -999 ? NI NI C 200 >ALA~C 124 -2.30 14.65 34.57 -3.43 13.96 33.86 -2.87 14.31 34.21 2 0 10.74 -999 ? NI NI C 200 >MET?C 125 -0.79 12.06 36.88 -2.30 9.11 37.27 -1.54 10.58 37.08 2 0 13.95 -999 ? NI NI C 200 >ASP~C 126 3.01 15.09 37.08 4.35 13.71 36.18 3.68 14.40 36.63 2 0 12.54 -999 ? NI NI C 200 >HIS~C 127 -2.44 18.75 38.05 -3.79 20.25 38.65 -3.12 19.50 38.35 3 0 -3.67 -999 ? NI NI C 200s >GLU~C 128 -3.97 12.41 41.41 -6.05 12.68 41.73 -5.01 12.54 41.57 2 0 10.52 -999 ? NI NI C 200 >ILE~C 129 1.52 12.65 42.09 2.33 11.59 41.84 1.93 12.12 41.97 3 0 11.99 -999 ? NI NI D 200 >HIS~C 130 1.65 19.39 42.59 1.91 21.36 43.23 1.78 20.38 42.91 3 0 6.41 -999 ? NI NI C 200 >HIS~C 131 -3.11 19.64 43.22 -2.93 21.53 42.33 -3.02 20.59 42.77 3 0 -3.49 -999 ? NI NI C 200s >LYS~C 132 -2.33 14.81 46.77 -0.61 10.14 45.88 -1.47 12.48 46.33 2 0 10.96 -999 ? NI NI D 200 >GLY~C 133 0.98 15.73 48.39 0.24 16.15 48.37 0.61 15.94 48.38 1 0 10.14 -999 ? NI NI D 200 >GLN~C 134 0.03 20.58 47.60 -0.49 22.34 46.55 -0.23 21.46 47.07 2 0 7.15 -999 ? NI NI C 200 >LEU~C 135 -4.57 16.34 49.75 -6.72 16.25 49.87 -5.65 16.30 49.81 3 0 11.89 -999 ? NI NI C 200 >PHE~C 136 -0.56 13.06 52.33 -1.01 10.37 51.77 -0.78 11.71 52.05 3 0 9.67 -999 ? NI NI D 200 >VAL~C 137 -0.45 18.48 54.66 1.25 19.83 54.33 0.40 19.16 54.49 3 0 12.67 -999 ? NI NI D 200 >TYR~C 138 -4.98 21.05 52.83 -4.83 23.26 51.14 -4.91 22.15 51.98 3 0 12.03 -999 ? NI NI C 200 >VAL~C 139 -5.33 16.61 56.48 -6.16 14.72 55.79 -5.74 15.67 56.13 3 0 16.17 -999 ? NI NI D 200 >ARG~C 140 0.94 14.91 58.29 1.31 12.67 60.34 1.13 13.79 59.32 2 0 11.75 -999 ? NI NI D 200 >GLY~C 141 -3.29 20.13 59.80 -3.82 19.49 59.85 -3.56 19.81 59.83 1 0 17.69 -999 ? NI NI D 200 >MET?C 142 -6.89 19.25 60.59 -9.04 18.45 57.01 -7.97 18.85 58.80 2 0 18.36 -999 ? NI NI C 200 >GLY~C 143 -5.52 16.83 63.13 -5.59 16.47 62.45 -5.56 16.65 62.79 1 0 19.54 -999 ? NI NI D 200 >HIS~C 144 -7.77 13.45 60.22 -9.73 14.19 60.17 -8.75 13.82 60.19 3 0 19.83 -999 ? NI NI D 200 >THR~C 145 -2.41 11.43 62.17 -1.23 11.77 63.94 -1.82 11.60 63.06 2 0 15.94 -999 ? NI NI D 200 >ASP~C 146 -4.14 7.01 61.45 -6.13 7.62 61.21 -5.13 7.31 61.33 2 0 17.86 -999 ? NI NI D 200 >LEU~C 147 -1.86 9.82 56.69 -2.84 11.69 57.18 -2.35 10.75 56.93 3 0 12.31 -999 ? NI NI D 200 >PRO~C 148 -4.43 7.06 53.62 -2.53 6.54 54.68 -3.48 6.80 54.15 3 0 12.89 -999 ? NI NI D 200 >LEU~C 149 1.42 4.18 51.74 2.84 2.87 52.66 2.13 3.52 52.20 3 0 9.31 -999 ? NI NI D 200 >PHE~C 150 3.09 8.70 48.33 5.17 7.89 46.68 4.13 8.30 47.51 3 0 6.42 -999 ? NI NI D 200 >VAL~C 151 0.38 5.37 46.92 1.81 4.62 45.45 1.09 5.00 46.19 3 0 10.65 -999 ? NI NI D 200 >LYS~C 152 -1.44 2.01 47.00 -6.08 2.84 49.84 -3.76 2.42 48.42 2 0 16.57 -999 ? NI NI D 200 >SER~D 2 18.06 7.63 24.46 19.90 8.36 25.89 18.98 7.99 25.17 2 0 28.11 -999 ? NI NI D 200 >ARG~D 3 14.08 3.50 27.91 13.03 0.67 28.26 13.55 2.08 28.08 2 0 25.54 -999 ? NI NI D 200 >ALA~D 4 18.41 7.95 30.10 19.92 7.66 30.11 19.16 7.81 30.11 2 0 24.36 -999 ? NI NI D 200 >LYS~D 5 18.32 11.40 28.53 22.40 11.36 25.99 20.36 11.38 27.26 2 0 29.08 -999 ? NI NI D 200 >LYS~D 6 14.52 11.43 28.56 12.33 8.35 23.44 13.42 9.89 26.00 2 0 27.06 -999 ? NI NI C 200 >TRP~D 7 13.97 6.91 31.73 11.05 6.90 34.37 12.51 6.90 33.05 3 0 19.21 -999 ? NI NI D 200 >VAL~D 8 16.96 12.99 33.09 19.11 13.23 33.00 18.03 13.11 33.04 3 0 21.00 -999 ? NI NI D 200 >GLN~D 9 13.46 16.71 29.62 13.16 16.99 27.52 13.31 16.85 28.57 2 0 21.59 -999 ? NI NI C 200 >TYR~D 10 10.01 12.76 33.85 7.65 12.20 35.24 8.83 12.48 34.54 3 0 16.92 -999 ? NI NI C 200 >PHE~D 11 15.77 13.90 38.03 17.18 14.52 40.37 16.47 14.21 39.20 3 0 15.21 -999 ? NI NI D 200 >LEU~D 12 16.14 18.20 35.00 18.27 17.79 35.59 17.20 17.99 35.30 3 0 20.03 -999 ? NI NI D 200 >SER~D 13 11.80 19.38 35.05 10.23 17.60 34.45 11.02 18.49 34.75 2 0 15.66 -999 ? NI NI C 200 >HIS~D 14 8.79 17.09 38.39 6.86 16.86 37.61 7.83 16.98 38.00 3 0 12.83 -999 ? NI NI C 200 >ARG~D 15 16.18 18.24 42.77 16.69 15.47 43.97 16.43 16.85 43.37 2 0 12.29 -999 ? NI NI D 200 >HIS~D 16 15.92 22.40 37.07 17.74 21.91 36.17 16.83 22.15 36.62 3 0 20.58 -999 ? NI NI C 200 >VAL~D 17 11.52 23.49 40.89 9.45 23.53 40.29 10.49 23.51 40.59 3 0 13.97 -999 ? NI NI C 200 >THR~D 18 12.43 21.64 44.08 12.54 19.61 44.73 12.49 20.62 44.41 2 0 12.37 -999 ? NI NI D 200 >MET?D 19 15.73 23.52 44.12 18.98 21.65 42.57 17.35 22.59 43.34 2 0 17.92 -999 ? NI NI D 200 >GLU~D 20 12.97 28.68 42.02 12.05 29.02 40.15 12.51 28.85 41.08 2 0 16.73 -999 ? NI NI C 200 >LEU~D 21 10.87 25.05 46.62 8.79 25.13 46.00 9.83 25.09 46.31 3 0 14.87 -999 ? NI NI C 200 >ILE~D 22 15.77 23.96 48.33 16.45 22.76 48.66 16.11 23.36 48.50 3 0 15.53 -999 ? NI NI D 200 >HIS~D 23 18.25 28.20 46.06 19.80 27.08 45.18 19.03 27.64 45.62 3 0 21.24 -999 ? NI NI D 200 >LYS~D 24 13.65 30.32 49.44 11.31 30.91 44.64 12.48 30.61 47.04 2 0 17.48 -999 ? NI NI C 200 >ILE~D 25 14.16 27.03 52.93 13.45 25.83 53.36 13.80 26.43 53.15 3 0 17.21 -999 ? NI NI D 200 >ASP~D 26 16.59 31.96 55.32 14.66 32.57 55.89 15.63 32.27 55.60 2 0 23.67 -999 ? NI NI D 200 >GLU~D 27 20.97 29.06 57.56 21.82 27.14 57.81 21.39 28.10 57.69 2 0 22.39 -999 ? NI NI D 200 >ALA~D 28 15.83 30.57 60.22 15.43 32.03 60.15 15.63 31.30 60.19 2 0 24.50 -999 ? NI NI D 200 >HIS~D 29 11.59 30.13 57.84 10.69 32.01 58.06 11.14 31.07 57.95 3 0 22.07 -999 ? NI NI D 200 >TYR~D 30 17.60 25.13 57.81 19.47 25.56 55.79 18.53 25.35 56.80 3 0 18.88 -999 ? NI NI D 200 >ASP~D 31 13.68 23.77 62.82 13.95 25.74 63.55 13.81 24.76 63.18 2 0 20.38 -999 ? NI NI D 200 >TYR~D 32 8.03 26.32 58.79 5.35 26.70 58.15 6.69 26.51 58.47 3 0 17.93 -999 ? NI NI D 200 >LYS~D 33 6.74 22.73 60.48 7.33 18.81 64.73 7.03 20.77 62.61 2 0 15.82 -999 ? NI NI D 200 >PRO~D 34 4.03 22.12 57.24 3.90 23.11 59.25 3.97 22.62 58.24 3 0 14.97 -999 ? NI NI D 200 >THR~D 35 1.84 21.04 61.86 1.03 19.40 60.67 1.43 20.22 61.26 2 0 15.11 -999 ? NI NI D 200 >PRO~D 36 1.19 20.57 66.06 2.76 19.92 64.60 1.97 20.24 65.33 3 0 18.37 -999 ? NI NI D 200 >THR~D 37 3.45 16.17 63.59 1.48 15.36 63.87 2.46 15.76 63.73 2 0 15.20 -999 ? NI NI D 200 >SER~D 38 4.98 17.19 60.25 3.15 18.22 59.04 4.07 17.71 59.65 2 0 12.36 -999 ? NI NI D 200 >MET?D 39 8.62 16.94 59.18 10.06 14.11 56.25 9.34 15.53 57.72 2 0 6.30 -999 ? NI NI D 200 >THR~D 40 10.69 20.10 59.44 12.35 19.80 60.74 11.52 19.95 60.09 2 0 13.83 -999 ? NI NI D 200 >ALA~D 41 11.45 21.87 56.17 11.51 23.36 55.97 11.48 22.61 56.07 2 0 14.27 -999 ? NI NI D 200 >LYS~D 42 15.06 20.72 56.45 20.91 21.20 58.80 17.98 20.96 57.62 2 0 18.00 -999 ? NI NI D 200 >GLN~D 43 13.86 16.62 59.59 12.60 16.40 61.29 13.23 16.51 60.44 2 0 12.20 -999 ? NI NI D 200 >LEU~D 44 10.43 18.15 53.97 8.72 17.70 52.71 9.57 17.93 53.34 3 0 8.10 -999 ? NI NI D 200 >ALA~D 45 14.16 18.63 51.69 14.75 20.01 51.78 14.46 19.32 51.73 2 0 11.64 -999 ? NI NI D 200 >THR~D 46 16.82 16.25 52.91 18.18 16.23 54.56 17.50 16.24 53.74 2 0 11.67 -999 ? NI NI D 200 >HIS~D 47 12.34 12.01 52.86 11.22 10.36 52.22 11.78 11.19 52.54 3 0 -3.38 -999 ? NI NI D 200s >MET?D 48 13.76 14.14 49.00 11.07 17.47 48.55 12.42 15.81 48.78 2 0 8.35 -999 ? NI NI D 200 >LEU~D 49 18.39 15.53 48.60 18.39 17.64 48.08 18.39 16.58 48.34 3 0 12.11 -999 ? NI NI D 200 >PHE~D 50 19.82 12.07 51.78 21.67 13.85 52.83 20.75 12.96 52.30 3 0 12.38 -999 ? NI NI D 200 >SER~D 51 15.62 9.11 48.80 13.54 10.31 48.47 14.58 9.71 48.64 2 0 5.75 -999 ? NI NI D 200 >PHE~D 52 15.10 11.04 43.01 14.12 10.59 40.46 14.61 10.82 41.73 3 0 11.53 -999 ? NI NI D 200 >TYR~D 53 22.01 9.37 46.05 24.52 8.21 45.88 23.27 8.79 45.97 3 0 15.65 -999 ? NI NI D 200 >ASN~D 54 18.32 5.57 47.97 19.65 5.90 49.61 18.98 5.73 48.79 2 0 11.85 -999 ? NI NI D 200 >PHE~D 55 13.93 5.61 44.25 11.58 5.05 45.64 12.76 5.33 44.94 3 0 9.12 -999 ? NI NI D 200 >ALA~D 56 18.83 6.16 41.14 19.31 7.57 40.85 19.07 6.86 41.00 2 0 15.30 -999 ? NI NI D 200 >ASN~D 57 22.16 4.63 44.29 24.13 3.98 44.71 23.15 4.30 44.50 2 0 17.94 -999 ? NI NI D 200 >THR~D 58 19.75 1.19 43.08 18.31 0.45 44.47 19.03 0.82 43.77 2 0 15.34 -999 ? NI NI D 200 >ALA~D 59 18.43 1.52 39.55 17.58 2.68 39.07 18.01 2.10 39.31 2 0 17.04 -999 ? NI NI D 200 >LYS~D 60 21.84 2.23 38.05 25.67 3.27 35.21 23.76 2.75 36.63 2 0 24.54 -999 ? NI NI D 200 >HIS~D 61 25.36 0.43 40.82 26.74 2.01 40.77 26.05 1.22 40.80 3 0 22.26 -999 ? NI NI D 200 >GLY~D 62 20.41 -3.02 39.50 20.92 -2.84 40.12 20.67 -2.93 39.81 1 0 21.32 -999 ? NI NI D 200 >ASP~D 63 22.58 -3.58 43.58 23.06 -4.66 45.33 22.82 -4.12 44.45 2 0 21.48 -999 ? NI NI D 200 >PRO~D 64 17.40 -5.47 44.27 18.65 -3.82 45.13 18.02 -4.64 44.70 3 0 18.72 -999 ? NI NI D 200 >SER~D 65 20.44 -3.80 48.68 22.70 -4.40 47.97 21.57 -4.10 48.33 2 0 20.43 -999 ? NI NI D 200 >LEU~D 66 22.12 0.24 46.53 24.11 -0.21 45.71 23.11 0.02 46.12 3 0 18.39 -999 ? NI NI D 200 >PHE~D 67 15.69 1.37 48.05 13.53 3.12 48.09 14.61 2.25 48.07 3 0 10.40 -999 ? NI NI D 200 >ARG~D 68 14.76 0.97 53.80 12.70 -1.23 53.30 13.73 -0.13 53.55 2 0 12.08 -999 ? NI NI D 200 >GLN~D 69 23.95 3.10 51.42 25.22 3.00 49.71 24.59 3.05 50.57 2 0 18.04 -999 ? NI NI D 200 >LYS~D 70 22.07 5.05 55.03 22.47 8.63 58.98 22.27 6.84 57.00 2 0 15.65 -999 ? NI NI D 200 >ILE~D 71 22.78 9.12 52.60 22.61 9.63 51.29 22.70 9.37 51.94 3 0 13.99 -999 ? NI NI D 200 >GLU~D 72 26.90 10.09 58.33 27.33 8.70 59.86 27.12 9.39 59.10 2 0 20.39 -999 ? NI NI D 200 >GLU~D 73 26.17 15.08 52.86 27.99 14.38 52.06 27.08 14.73 52.46 2 0 19.74 -999 ? NI NI D 200 >PRO~D 74 29.92 15.43 56.16 27.79 16.01 56.59 28.86 15.72 56.37 3 0 21.44 -999 ? NI NI D 200 >GLU~D 75 26.33 20.47 52.52 28.18 21.45 52.76 27.26 20.96 52.64 2 0 22.57 -999 ? NI NI D 200 >THR~D 76 24.37 21.19 56.92 25.14 22.22 58.67 24.76 21.70 57.79 2 0 21.61 -999 ? NI NI D 200 >ASN~D 77 24.76 24.80 53.69 23.98 26.09 52.20 24.37 25.45 52.94 2 0 22.13 -999 ? NI NI D 200 >LEU~D 78 19.17 23.29 52.71 17.57 21.91 52.97 18.37 22.60 52.84 3 0 15.86 -999 ? NI NI D 200 >ALA~D 79 21.23 24.59 49.18 21.39 26.08 49.02 21.31 25.34 49.10 2 0 20.59 -999 ? NI NI D 200 >LYS~D 80 24.73 23.15 48.80 29.78 21.48 49.17 27.25 22.31 48.99 2 0 24.07 -999 ? NI NI D 200 >LEU~D 81 22.75 19.41 51.08 22.80 17.56 52.13 22.78 18.49 51.60 3 0 16.38 -999 ? NI NI D 200 >ALA~D 82 20.73 20.11 47.17 19.73 21.25 47.13 20.23 20.68 47.15 2 0 16.32 -999 ? NI NI D 200 >GLU~D 83 23.20 23.41 44.85 23.05 25.12 43.63 23.12 24.26 44.24 2 0 22.26 -999 ? NI NI D 200 >THR~D 84 25.49 18.19 45.29 26.94 17.89 46.85 26.21 18.04 46.07 2 0 20.38 -999 ? NI NI D 200 >TYR~D 85 22.93 14.25 47.56 24.56 12.80 49.27 23.75 13.53 48.42 3 0 15.74 -999 ? NI NI D 200 >THR~D 86 21.04 16.67 42.33 19.70 18.22 41.75 20.37 17.44 42.04 2 0 16.86 -999 ? NI NI D 200 >GLU~D 87 26.60 16.93 39.49 25.92 17.16 37.48 26.26 17.04 38.49 2 0 23.36 -999 ? NI NI D 200 >LYS~D 88 25.02 12.92 41.74 27.55 11.25 47.00 26.28 12.08 44.37 2 0 19.41 -999 ? NI NI D 200 >THR~D 89 21.49 11.78 40.96 19.65 11.90 42.09 20.57 11.84 41.52 2 0 14.61 -999 ? NI NI D 200 >ARG~D 90 22.34 16.40 35.26 24.87 15.05 34.18 23.61 15.72 34.72 2 0 24.28 -999 ? NI NI D 200 >GLN~D 91 26.90 13.00 36.65 28.66 13.70 37.62 27.78 13.35 37.13 2 0 24.63 -999 ? NI NI D 200 >LEU~D 92 23.09 7.79 39.24 24.13 7.00 41.00 23.61 7.40 40.12 3 0 18.99 -999 ? NI NI D 200 >ILE~D 93 19.43 9.15 35.79 18.13 9.49 36.09 18.78 9.32 35.94 3 0 18.63 -999 ? NI NI D 200 >GLU~D 94 23.07 11.66 31.32 24.66 12.98 30.88 23.87 12.32 31.10 2 0 26.31 -999 ? NI NI D 200 >SER~D 95 25.01 6.72 32.81 25.42 6.01 35.10 25.21 6.37 33.95 2 0 23.83 -999 ? NI NI D 200 >MET?D 96 22.34 4.08 32.24 19.45 4.14 35.44 20.89 4.11 33.84 2 0 20.29 -999 ? NI NI D 200 >SER~D 97 21.88 2.09 29.04 22.00 -0.31 29.39 21.94 0.89 29.22 2 0 27.89 -999 ? NI NI D 200 >ASP~D 98 18.07 1.84 26.08 18.28 3.89 25.57 18.18 2.87 25.82 2 0 28.43 -999 ? NI NI D 200 >ASP~D 99 19.32 -3.18 28.06 18.79 -3.98 26.19 19.05 -3.58 27.13 2 0 30.74 -999 ? NI NI D 200 >ASP~D 100 19.95 -0.07 32.62 21.97 -0.61 32.31 20.96 -0.34 32.47 2 0 25.72 -999 ? NI NI D 200 >PHE~D 101 15.86 2.84 31.58 17.30 5.17 32.10 16.58 4.00 31.84 3 0 22.13 -999 ? NI NI D 200 >ASP~D 102 14.22 -3.60 29.98 13.36 -2.34 28.54 13.79 -2.97 29.26 2 0 26.61 -999 ? NI NI D 200 >ARG~D 103 19.39 -5.18 35.97 20.10 -2.21 35.80 19.74 -3.70 35.88 2 0 23.02 -999 ? NI NI D 200 >THR^D 104 13.82 -6.50 36.70 12.37 -8.06 36.74 13.09 -7.28 36.72 2 0 23.72 -999 ? NI NI D 200 >LEU^D 105 14.34 -4.05 40.71 15.84 -2.52 40.33 15.09 -3.29 40.52 3 0 18.49 -999 ? NI NI D 200 >ASP^D 106 14.54 -9.27 43.37 13.52 -10.68 44.57 14.03 -9.98 43.97 2 0 22.43 -999 ? NI NI D 200 >LEU~D 107 11.73 -4.40 45.21 13.02 -2.90 44.34 12.38 -3.65 44.77 3 0 15.75 -999 ? NI NI D 200 >THR~D 108 9.87 -8.15 47.63 9.26 -10.09 46.97 9.57 -9.12 47.30 2 0 20.69 -999 ? NI NI D 200 >ALA~D 109 11.89 -7.60 50.80 13.40 -7.77 50.91 12.65 -7.68 50.85 2 0 18.45 -999 ? NI NI D 200 >ILE~D 110 12.15 -3.11 49.72 13.36 -2.27 49.70 12.75 -2.69 49.71 3 0 13.51 -999 ? NI NI D 200 >PHE~D 111 8.81 -1.28 47.06 10.35 1.03 46.98 9.58 -0.13 47.02 3 0 11.21 -999 ? NI NI D 200 >GLY~D 112 6.85 -6.83 48.67 7.02 -6.36 48.01 6.93 -6.60 48.34 1 0 17.25 -999 ? NI NI D 200 >THR~D 113 7.06 -7.13 44.90 5.97 -5.52 43.95 6.52 -6.32 44.42 2 0 17.58 -999 ? NI NI D 200 >GLN^D 114 10.28 -9.63 42.03 11.56 -11.00 41.05 10.92 -10.31 41.54 2 0 23.74 -999 ? NI NI D 200 >MET?D 115 9.30 -4.45 39.37 8.64 -0.90 41.59 8.97 -2.67 40.48 2 0 14.85 -999 ? NI NI D 200 >SER^D 116 10.93 -3.17 36.20 9.66 -1.61 34.83 10.29 -2.39 35.52 2 0 20.47 -999 ? NI NI D 200 >THR~D 117 13.60 -0.54 36.67 15.74 -0.50 36.48 14.67 -0.52 36.57 2 0 19.75 -999 ? NI NI D 200 >ALA~D 118 11.37 1.89 34.76 10.90 1.71 33.31 11.14 1.80 34.04 2 0 20.23 -999 ? NI NI D 200 >GLN~D 119 6.70 -0.37 36.29 5.94 -2.34 36.61 6.32 -1.36 36.45 2 0 19.67 -999 ? NI NI D 200 >PHE~D 120 12.87 1.16 41.35 14.40 1.58 43.63 13.64 1.37 42.49 3 0 13.52 -999 ? NI NI D 200 >LEU~D 121 12.94 5.28 37.35 15.09 5.38 37.47 14.01 5.33 37.41 3 0 15.88 -999 ? NI NI D 200 >GLN~D 122 6.18 6.42 37.04 6.61 8.29 36.09 6.39 7.35 36.57 2 0 15.77 -999 ? NI NI D 200 >LEU~D 123 8.12 4.17 42.38 7.33 3.83 44.38 7.72 4.00 43.38 3 0 10.28 -999 ? NI NI D 200 >ALA~D 124 10.93 7.72 42.51 12.35 7.51 42.00 11.64 7.61 42.25 2 0 10.59 -999 ? NI NI D 200 >MET?D 125 9.45 10.51 40.42 11.30 12.15 38.31 10.37 11.33 39.36 2 0 13.72 -999 ? NI NI D 200 >ASP~D 126 5.18 8.82 42.07 4.43 8.25 40.13 4.81 8.54 41.10 2 0 12.40 -999 ? NI NI D 200 >HIS~D 127 9.19 9.45 47.29 9.94 9.72 49.23 9.56 9.59 48.26 3 0 -3.49 -999 ? NI NI D 200s >GLU~D 128 11.02 15.10 43.02 12.83 15.70 43.98 11.93 15.40 43.50 2 0 10.34 -999 ? NI NI D 200 >ILE~D 129 5.66 14.60 41.76 5.23 14.60 40.50 5.44 14.60 41.13 3 0 11.89 -999 ? NI NI D 200 >HIS~D 130 3.95 12.57 48.01 3.09 12.39 49.91 3.52 12.48 48.96 3 0 6.33 -999 ? NI NI D 200 >HIS~D 131 8.15 14.00 49.87 7.77 12.45 51.23 7.96 13.22 50.55 3 0 -3.43 -999 ? NI NI D 200s >LYS~D 132 7.47 18.81 46.27 7.13 19.37 41.22 7.30 19.09 43.74 2 0 11.16 -999 ? NI NI C 200 >GLY~D 133 3.72 19.30 46.59 4.33 19.29 47.17 4.02 19.30 46.88 1 0 10.29 -999 ? NI NI C 200 >GLN~D 134 3.78 17.04 51.05 4.19 15.53 52.49 3.98 16.29 51.77 2 0 7.16 -999 ? NI NI D 200 >LEU~D 135 8.40 21.43 49.23 10.38 21.98 49.82 9.39 21.70 49.52 3 0 11.85 -999 ? NI NI D 200 >PHE~D 136 4.65 24.18 45.78 5.80 24.71 43.29 5.22 24.44 44.53 3 0 9.91 -999 ? NI NI C 200 >VAL~D 137 2.70 24.31 51.37 0.96 23.21 51.99 1.83 23.76 51.68 3 0 12.81 -999 ? NI NI C 200 >TYR~D 138 6.87 22.58 54.51 6.71 20.25 56.01 6.79 21.41 55.26 3 0 12.08 -999 ? NI NI D 200 >VAL~D 139 7.15 27.60 51.70 8.53 27.82 50.03 7.84 27.71 50.87 3 0 16.41 -999 ? NI NI C 200 >ARG~D 140 1.16 28.67 48.78 0.75 31.28 47.23 0.96 29.98 48.01 2 0 11.93 -999 ? NI NI C 200 >GLY~D 141 3.53 28.95 55.23 4.13 29.34 54.81 3.83 29.15 55.02 1 0 17.82 -999 ? NI NI C 200 >MET?D 142 6.87 30.69 55.76 10.03 28.07 54.68 8.45 29.38 55.22 2 0 18.31 -999 ? NI NI D 200 >GLY~D 143 5.43 33.64 53.91 5.75 33.14 53.40 5.59 33.39 53.66 1 0 19.74 -999 ? NI NI C 200 >HIS~D 144 9.08 32.61 50.69 10.75 32.69 51.95 9.91 32.65 51.32 3 0 20.10 -999 ? NI NI C 200 >THR~D 145 3.97 34.12 47.78 2.29 35.39 48.26 3.13 34.76 48.02 2 0 16.14 -999 ? NI NI C 200 >ASP~D 146 6.75 35.39 44.07 8.55 35.33 45.15 7.65 35.36 44.61 2 0 18.13 -999 ? NI NI C 200 >LEU~D 147 5.35 29.59 44.54 5.71 29.53 46.69 5.53 29.56 45.62 3 0 12.58 -999 ? NI NI C 200 >PRO~D 148 9.25 28.26 41.93 7.27 29.05 41.19 8.26 28.66 41.56 3 0 13.21 -999 ? NI NI C 200 >LEU~D 149 4.90 26.47 36.98 3.61 27.51 35.61 4.26 26.99 36.30 3 0 9.58 -999 ? NI NI C 200 >PHE~D 150 3.29 21.41 39.55 2.00 19.79 37.67 2.64 20.60 38.61 3 0 6.62 -999 ? NI NI C 200 >VAL~D 151 6.98 21.82 36.96 6.22 20.49 35.41 6.60 21.15 36.18 3 0 10.89 -999 ? NI NI C 200 >LYS~D 152 9.39 23.47 34.47 12.83 26.63 37.47 11.11 25.05 35.97 2 0 16.94 -999 ? NI NI C 200