REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-NOV-05 2F4N COMPND HYPOTHETICAL PROTEIN MJ1651; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; SOURCE 3 ORGANISM_TAXID: 2190; SOURCE 4 GENE: MJ1651; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR K.N.RAO,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX RESEARCH AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 31 8 HET MSE A 165 8 HET MSE A 202 8 HET MSE A 246 8 HET MSE B 31 8 HET MSE B 165 8 HET MSE B 202 8 HET MSE B 246 8 HET MSE C 31 8 HET MSE C 165 8 HET MSE C 202 5 HET MSE C 246 8 >ASP.A 9 29.62 70.70 60.30 31.24 69.56 61.03 30.43 70.13 60.67 2 0 1000.00 -999 ? >ASP.A 10 32.65 74.44 56.97 34.45 73.83 57.93 33.55 74.13 57.45 2 0 1000.00 -999 ? >ILE.A 11 32.32 68.68 56.35 32.51 68.06 55.86 32.41 68.37 56.11 3 0 1000.00 -999 ? >LEU.A 12 29.17 69.06 51.48 28.50 71.00 50.82 28.83 70.03 51.15 3 0 1000.00 -999 ? >ASP.A 13 27.54 65.36 55.71 26.21 66.73 56.66 26.88 66.04 56.19 2 0 1000.00 -999 ? >ILE^A 14 22.88 66.28 53.76 21.86 66.28 54.76 22.37 66.28 54.26 3 0 1000.00 -999 ? >ILE^A 15 23.39 64.56 48.45 23.70 63.80 47.29 23.54 64.18 47.87 3 0 1000.00 -999 ? >THR^A 16 18.73 65.32 48.59 17.99 67.11 49.54 18.36 66.21 49.07 2 0 1000.00 -999 ? >LEU^A 17 17.18 62.84 45.00 19.03 61.85 44.50 18.10 62.35 44.75 3 0 1000.00 -999 ? >THR^A 18 13.78 65.68 43.86 12.85 67.41 44.77 13.32 66.55 44.32 2 0 1000.00 -999 ? >THR^A 19 12.46 64.29 40.56 13.62 62.45 40.63 13.04 63.37 40.59 2 0 1000.00 -999 ? >ASP.A 20 8.95 64.62 37.35 10.26 64.72 35.71 9.61 64.67 36.53 2 0 1000.00 -999 ? >PHE.A 21 13.16 60.26 37.60 15.32 61.66 36.50 14.24 60.96 37.05 3 0 1000.00 -999 ? >GLY.A 22 8.07 58.35 39.97 8.94 58.19 39.94 8.51 58.27 39.96 1 0 1000.00 -999 ? >THR.A 23 8.76 54.92 41.42 8.44 55.25 43.54 8.60 55.09 42.48 2 0 1000.00 -999 ? >ASN.A 24 6.22 53.27 37.65 5.47 51.69 36.44 5.85 52.48 37.05 2 0 1000.00 -999 ? >GLU.A 25 10.35 53.30 34.53 8.24 53.16 34.69 9.29 53.23 34.61 2 0 1000.00 -999 ? >GLY~A 26 14.20 52.21 38.40 14.14 52.82 37.85 14.17 52.52 38.12 1 0 1000.00 -999 ? >TYR~A 27 14.34 56.17 35.32 13.28 55.41 32.85 13.81 55.79 34.09 3 0 1000.00 -999 ? >VAL~A 28 15.61 56.84 41.00 14.13 57.74 42.32 14.87 57.29 41.66 3 0 1000.00 -999 ? >GLY~A 29 17.40 53.73 42.22 17.60 54.25 41.59 17.50 53.99 41.91 1 0 1000.00 -999 ? >ALA~A 30 19.97 54.05 39.43 19.65 54.06 37.95 19.81 54.06 38.69 2 0 1000.00 -999 ? >MET?A 31 20.65 57.61 40.53 18.79 61.37 40.06 19.72 59.49 40.30 2 0 1000.00 -999 ? >LYS~A 32 21.17 56.68 44.20 15.85 56.37 47.59 18.51 56.52 45.89 2 0 1000.00 -999 ? >GLY~A 33 23.37 53.88 42.94 23.46 54.67 42.80 23.41 54.28 42.87 1 0 1000.00 -999 ? >ARG~A 34 26.51 58.05 37.67 25.93 55.97 35.49 26.22 57.01 36.58 2 0 1000.00 -999 ? >ILE~A 35 24.84 59.22 44.53 24.12 60.35 45.00 24.48 59.78 44.77 3 0 1000.00 -999 ? >LEU~A 36 25.93 54.62 46.60 24.50 55.17 48.14 25.22 54.90 47.37 3 0 1000.00 -999 ? >ASN~A 37 28.92 53.89 42.20 30.39 52.59 41.35 29.66 53.24 41.78 2 0 1000.00 -999 ? >ILE~A 38 30.75 58.75 42.78 30.85 59.76 41.76 30.80 59.25 42.27 3 0 1000.00 -999 ? >LEU~A 39 29.85 58.40 48.03 28.76 60.27 48.03 29.30 59.34 48.03 3 0 1000.00 -999 ? >LYS~A 40 32.64 54.83 47.94 31.03 48.87 49.31 31.83 51.85 48.62 2 0 1000.00 -999 ? >LYS~A 41 35.44 55.24 45.38 36.24 54.09 39.29 35.84 54.66 42.34 2 0 1000.00 -999 ? >TYR.A 42 36.44 59.61 45.67 36.95 59.83 42.93 36.69 59.72 44.30 3 0 1000.00 -999 ? >ASN.A 43 36.52 56.09 51.81 38.35 57.10 51.46 37.44 56.59 51.64 2 0 1000.00 -999 ? >LYS.A 44 33.14 59.70 51.44 32.07 64.61 53.40 32.60 62.15 52.42 2 0 1000.00 -999 ? >ASP.A 45 30.54 58.76 55.35 28.73 58.44 56.39 29.64 58.60 55.87 2 0 1000.00 -999 ? >ALA.A 46 27.08 61.04 53.18 27.24 61.84 51.90 27.16 61.44 52.54 2 0 1000.00 -999 ? >LYS^A 47 23.37 60.59 53.76 22.95 59.28 59.11 23.16 59.93 56.44 2 0 1000.00 -999 ? >ILE^A 48 21.22 59.48 49.69 21.66 59.12 48.36 21.44 59.30 49.03 3 0 1000.00 -999 ? >ILE^A 49 17.34 63.12 52.32 17.09 62.49 53.60 17.22 62.80 52.96 3 0 1000.00 -999 ? >ASP^A 50 13.72 60.59 48.77 14.85 59.10 47.84 14.28 59.84 48.31 2 0 1000.00 -999 ? >ILE^A 51 12.81 66.31 48.61 13.09 67.75 48.88 12.95 67.03 48.74 3 0 1000.00 -999 ? >SER^A 52 9.95 63.67 46.53 7.75 64.35 45.71 8.85 64.01 46.12 2 0 1000.00 -999 ? >HIS.A 53 11.89 60.36 43.83 13.89 60.60 44.41 12.89 60.48 44.12 3 0 1000.00 -999 ? >GLU.A 54 5.30 60.49 44.05 5.26 59.21 42.35 5.28 59.85 43.20 2 0 1000.00 -999 ? >ILE.A 55 7.95 66.59 40.82 7.74 67.81 41.57 7.84 67.20 41.19 3 0 1000.00 -999 ? >LYS.A 56 4.23 65.96 38.13 -0.16 65.74 40.72 2.04 65.85 39.42 2 0 1000.00 -999 ? >PRO.A 57 4.99 63.04 35.08 5.70 65.11 35.49 5.35 64.08 35.29 3 0 1000.00 -999 ? >PHE.A 58 7.72 66.68 31.21 8.44 64.27 29.96 8.08 65.47 30.58 3 0 1000.00 -999 ? >ASN~A 59 4.80 70.08 36.50 3.79 71.78 37.24 4.30 70.93 36.87 2 0 1000.00 -999 ? >ILE~A 60 9.86 73.58 36.18 10.28 74.28 35.04 10.07 73.93 35.61 3 0 1000.00 -999 ? >TYR~A 61 5.41 76.26 37.05 6.21 77.63 34.76 5.81 76.95 35.91 3 0 1000.00 -999 ? >HIS~A 62 4.55 69.59 41.62 4.08 68.06 42.99 4.32 68.82 42.30 3 0 1000.00 -999 ? >GLY~A 63 9.07 71.10 41.69 8.67 71.82 41.79 8.87 71.46 41.74 1 0 1000.00 -999 ? >ALA~A 64 10.01 74.69 42.53 9.74 75.85 41.62 9.87 75.27 42.07 2 0 1000.00 -999 ? >TYR~A 65 4.89 75.14 46.00 3.24 75.92 48.11 4.07 75.53 47.05 3 0 1000.00 -999 ? >VAL~A 66 8.31 71.50 46.75 8.03 69.32 46.43 8.17 70.41 46.59 3 0 1000.00 -999 ? >LEU~A 67 12.83 72.95 45.66 13.93 71.68 44.28 13.38 72.32 44.97 3 0 1000.00 -999 ? >LEU~A 68 9.97 76.82 47.95 9.55 78.79 48.74 9.76 77.81 48.34 3 0 1000.00 -999 ? >THR~A 69 9.01 73.97 51.15 6.94 73.30 51.14 7.97 73.64 51.15 2 0 1000.00 -999 ? >ALA~A 70 11.70 71.46 52.13 11.63 70.07 51.48 11.67 70.77 51.80 2 0 1000.00 -999 ? >ILE~A 71 15.80 73.17 50.05 16.77 73.02 48.95 16.29 73.09 49.50 3 0 1000.00 -999 ? >PRO~A 72 13.81 76.71 52.19 15.15 75.25 53.20 14.48 75.98 52.70 3 0 1000.00 -999 ? >TYR~A 73 12.48 73.56 57.05 10.27 75.28 57.11 11.38 74.42 57.08 3 0 1000.00 -999 ? >PHE~A 74 17.59 69.49 54.19 16.12 67.21 53.49 16.85 68.35 53.84 3 0 1000.00 -999 ? >PRO.A 75 21.93 70.26 57.76 20.93 72.07 56.93 21.43 71.17 57.34 3 0 1000.00 -999 ? >PRO.A 76 24.79 75.13 55.71 23.64 73.40 54.94 24.21 74.26 55.32 3 0 1000.00 -999 ? >SER.A 77 23.99 70.59 51.81 21.75 70.34 52.64 22.87 70.46 52.22 2 0 1000.00 -999 ? >VAL^A 78 23.81 69.42 48.21 25.41 68.60 47.01 24.61 69.01 47.61 3 0 1000.00 -999 ? >HIS^A 79 19.51 70.49 48.44 19.49 70.64 50.53 19.50 70.57 49.49 3 0 1000.00 -999 ? >VAL^A 80 19.90 67.48 43.12 21.17 66.00 42.16 20.53 66.74 42.64 3 0 1000.00 -999 ? >ALA^A 81 16.63 68.39 41.35 16.03 69.74 41.71 16.33 69.06 41.53 2 0 1000.00 -999 ? >VAL^A 82 15.73 66.86 38.02 17.13 65.46 37.11 16.43 66.16 37.57 3 0 1000.00 -999 ? >ILE.A 83 11.52 68.69 37.31 11.15 68.59 38.18 11.33 68.64 37.74 3 0 1000.00 -999 ? >ASP.A 84 14.39 69.92 32.88 14.96 70.78 31.04 14.67 70.35 31.96 2 0 1000.00 -999 ? >PRO.A 85 10.08 71.33 30.13 11.41 69.53 30.16 10.75 70.43 30.15 3 0 1000.00 -999 ? >THR.A 86 14.54 69.22 27.60 14.85 67.75 26.01 14.69 68.48 26.81 2 0 1000.00 -999 ? >ARG.A 91 18.45 72.66 25.23 17.26 74.06 22.76 17.86 73.36 23.99 2 0 1000.00 -999 ? >SER^A 93 22.62 72.84 33.35 22.40 70.57 32.53 22.51 71.71 32.94 2 0 1000.00 -999 ? >ILE^A 94 23.28 76.04 36.50 22.31 77.02 36.09 22.80 76.53 36.29 3 0 1000.00 -999 ? >VAL^A 95 25.24 74.47 39.99 26.87 73.20 40.68 26.05 73.84 40.34 3 0 1000.00 -999 ? >ILE^A 96 22.64 77.68 42.35 21.54 78.58 42.04 22.09 78.13 42.19 3 0 1000.00 -999 ? >GLU^A 97 28.08 78.75 46.88 30.20 78.79 47.06 29.14 78.77 46.97 2 0 1000.00 -999 ? >THR^A 98 23.97 79.90 48.06 22.55 78.49 48.86 23.26 79.20 48.46 2 0 1000.00 -999 ? >SER.A 100 25.33 79.83 53.50 23.61 80.71 54.95 24.47 80.27 54.23 2 0 1000.00 -999 ? >GLY.A 101 27.06 77.23 51.36 26.31 77.27 51.29 26.69 77.25 51.33 1 0 1000.00 -999 ? >TYR.A 102 21.99 75.46 51.49 20.69 75.52 53.97 21.34 75.49 52.73 3 0 1000.00 -999 ? >TYR^A 103 26.96 73.50 46.54 29.41 74.84 46.75 28.19 74.17 46.65 3 0 1000.00 -999 ? >LEU^A 104 20.60 74.53 44.01 19.63 75.44 45.70 20.12 74.99 44.85 3 0 1000.00 -999 ? >VAL^A 105 22.19 71.06 41.19 23.86 69.67 41.21 23.03 70.37 41.20 3 0 1000.00 -999 ? >GLY^A 106 19.86 70.97 38.22 20.42 71.52 38.03 20.14 71.24 38.12 1 0 1000.00 -999 ? >PRO^A 107 16.60 71.43 35.43 18.73 72.09 35.53 17.66 71.76 35.48 3 0 1000.00 -999 ? >ASP.A 108 19.92 76.95 33.70 19.65 79.02 33.57 19.79 77.98 33.63 2 0 1000.00 -999 ? >ASN.A 109 14.43 75.37 33.12 14.16 73.86 34.61 14.29 74.61 33.87 2 0 1000.00 -999 ? >GLY.A 110 13.53 78.33 36.84 13.80 77.56 36.89 13.67 77.95 36.86 1 0 1000.00 -999 ? >LEU.A 111 14.19 73.85 38.54 13.63 71.96 39.42 13.91 72.91 38.98 3 0 1000.00 -999 ? >PHE~A 112 17.49 75.03 41.64 18.41 72.38 41.68 17.95 73.70 41.66 3 0 1000.00 -999 ? >THR~A 113 13.83 80.05 41.54 12.72 81.15 40.03 13.27 80.60 40.78 2 0 1000.00 -999 ? >TYR~A 114 9.64 79.64 44.23 7.61 79.75 42.30 8.63 79.70 43.26 3 0 1000.00 -999 ? >VAL~A 115 14.61 78.41 46.93 15.71 76.53 46.71 15.16 77.47 46.82 3 0 1000.00 -999 ? >ALA~A 116 17.54 80.32 45.41 17.89 80.37 43.91 17.71 80.35 44.66 2 0 1000.00 -999 ? >GLU~A 117 14.44 84.18 44.30 12.52 84.76 43.63 13.48 84.47 43.97 2 0 1000.00 -999 ? >LYS~A 118 15.31 82.62 49.92 11.18 80.56 54.22 13.25 81.59 52.07 2 0 1000.00 -999 ? >LEU~A 119 19.17 79.79 49.95 18.47 78.07 51.05 18.82 78.93 50.50 3 0 1000.00 -999 ? >GLY~A 120 20.51 84.06 48.52 20.55 83.25 48.32 20.53 83.65 48.42 1 0 1000.00 -999 ? >ILE^A 121 22.11 83.66 43.99 21.62 83.32 42.74 21.86 83.49 43.37 3 0 1000.00 -999 ? >ARG^A 123 30.87 81.09 43.88 32.42 78.68 42.79 31.64 79.88 43.33 2 0 1000.00 -999 ? >ILE^A 124 24.94 81.05 38.81 23.66 81.35 38.40 24.30 81.20 38.60 3 0 1000.00 -999 ? >ILE^A 125 29.17 76.96 38.78 29.63 77.23 39.44 29.40 77.09 39.11 3 0 1000.00 -999 ? >LYS^A 126 27.80 76.53 34.51 28.52 78.01 28.37 28.16 77.27 31.44 2 0 1000.00 -999 ? >ILE.A 127 26.94 71.74 34.49 26.40 70.71 35.31 26.67 71.23 34.90 3 0 1000.00 -999 ? >ASP.A 128 31.77 71.96 31.12 32.64 72.49 29.26 32.21 72.22 30.19 2 0 1000.00 -999 ? >GLU.A 129 32.12 68.84 26.93 32.55 68.88 24.86 32.34 68.86 25.90 2 0 1000.00 -999 ? >GLU.A 130 34.51 67.71 33.05 34.67 68.67 34.94 34.59 68.19 34.00 2 0 1000.00 -999 ? >ARG.A 131 30.38 66.44 34.29 31.48 68.04 36.66 30.93 67.24 35.47 2 0 1000.00 -999 ? >GLY~A 140 21.38 63.20 31.38 21.21 63.82 31.89 21.30 63.51 31.64 1 0 1000.00 -999 ? >ASP~A 142 23.52 58.89 35.16 22.24 57.32 35.86 22.88 58.10 35.51 2 0 1000.00 -999 ? >VAL~A 143 24.91 63.65 35.15 25.32 64.63 33.26 25.11 64.14 34.20 3 0 1000.00 -999 ? >TYR~A 144 21.35 67.02 36.84 20.42 68.63 34.75 20.89 67.82 35.79 3 0 1000.00 -999 ? >ALA~A 145 24.12 62.79 40.07 23.69 61.36 39.76 23.90 62.07 39.91 2 0 1000.00 -999 ? >VAL~A 146 27.85 62.69 39.40 29.02 61.85 37.78 28.44 62.27 38.59 3 0 1000.00 -999 ? >VAL~A 147 28.06 66.45 39.93 27.61 68.21 38.72 27.83 67.33 39.33 3 0 1000.00 -999 ? >GLY~A 148 26.18 66.29 43.21 26.82 65.85 42.97 26.50 66.07 43.09 1 0 1000.00 -999 ? >ALA~A 149 28.47 63.55 44.50 28.53 62.13 43.97 28.50 62.84 44.24 2 0 1000.00 -999 ? >GLU~A 150 33.03 66.46 41.41 33.05 67.36 39.48 33.04 66.91 40.45 2 0 1000.00 -999 ? >ILE~A 151 29.12 69.16 45.10 28.31 70.31 44.78 28.72 69.74 44.94 3 0 1000.00 -999 ? >LEU~A 152 29.37 64.97 48.40 27.42 64.91 49.28 28.39 64.94 48.84 3 0 1000.00 -999 ? >ILE~A 153 34.14 63.97 46.54 34.50 62.79 45.93 34.32 63.38 46.24 3 0 1000.00 -999 ? >ASN~A 154 35.59 68.75 45.63 36.48 67.34 44.33 36.03 68.05 44.98 2 0 1000.00 -999 ? >ASN~A 155 34.10 70.27 50.74 33.07 71.46 52.17 33.58 70.86 51.46 2 0 1000.00 -999 ? >GLY.A 156 32.47 72.53 46.74 32.58 71.79 46.38 32.53 72.16 46.56 1 0 1000.00 -999 ? >TYR.A 157 30.71 72.43 41.12 30.59 71.33 38.54 30.65 71.88 39.83 3 0 1000.00 -999 ? >ASP.A 158 35.49 75.34 40.61 35.98 74.82 42.62 35.73 75.08 41.62 2 0 1000.00 -999 ? >GLY.A 159 33.30 76.31 36.75 33.37 77.02 37.20 33.34 76.67 36.97 1 0 1000.00 -999 ? >GLU.A 160 31.31 78.79 32.26 31.30 78.79 30.14 31.30 78.79 31.20 2 0 1000.00 -999 ? >GLU.A 161 32.04 82.44 37.98 31.44 81.02 39.45 31.74 81.73 38.71 2 0 1000.00 -999 ? >LEU.A 162 25.86 81.54 34.92 25.56 81.24 32.79 25.71 81.39 33.86 3 0 1000.00 -999 ? >ASP.A 163 25.51 87.23 34.21 27.27 87.30 33.03 26.39 87.27 33.62 2 0 1000.00 -999 ? >GLU.A 164 21.47 88.06 35.34 21.62 88.50 37.42 21.55 88.28 36.38 2 0 1000.00 -999 ? >MET?A 165 19.60 82.48 35.40 18.66 81.09 39.38 19.13 81.79 37.39 2 0 1000.00 -999 ? >VAL.A 166 16.13 81.55 34.20 15.34 80.24 32.67 15.74 80.90 33.43 3 0 1000.00 -999 ? >LYS.A 167 13.53 82.56 36.74 15.75 86.35 40.78 14.64 84.46 38.76 2 0 1000.00 -999 ? >ILE.A 168 9.30 80.83 38.28 8.58 79.66 38.70 8.94 80.24 38.49 3 0 1000.00 -999 ? >ASP.A 169 7.49 85.83 35.66 6.73 87.78 36.09 7.11 86.80 35.88 2 0 1000.00 -999 ? >GLU.A 170 8.38 84.64 41.57 9.73 84.68 43.18 9.05 84.66 42.37 2 0 1000.00 -999 ? >THR.A 171 5.14 89.33 39.27 6.76 90.40 38.35 5.95 89.87 38.81 2 0 1000.00 -999 ? >LYS.A 173 -0.28 86.61 39.49 2.91 88.03 42.98 1.31 87.32 41.24 2 0 1000.00 -999 ? >ARG.A 174 1.67 82.38 36.21 4.47 82.04 34.94 3.07 82.21 35.57 2 0 1000.00 -999 ? >VAL^A 175 -1.84 79.56 40.08 -3.45 78.09 39.88 -2.65 78.82 39.98 3 0 1000.00 -999 ? >ILE^A 176 1.74 79.28 43.26 2.31 79.23 44.64 2.02 79.25 43.95 3 0 1000.00 -999 ? >HIS^A 177 1.73 73.49 44.27 1.67 71.62 45.21 1.70 72.55 44.74 3 0 1000.00 -999 ? >ILE^A 178 -2.81 71.97 41.96 -4.12 72.14 41.22 -3.47 72.06 41.59 3 0 1000.00 -999 ? >ASP.A 179 -3.50 71.26 47.36 -3.48 70.45 49.26 -3.49 70.85 48.31 2 0 1000.00 -999 ? >ARG.A 180 -2.05 65.24 50.09 -2.05 62.49 51.41 -2.05 63.86 50.75 2 0 1000.00 -999 ? >PHE.A 181 -6.19 67.76 50.49 -5.25 66.45 52.79 -5.72 67.11 51.64 3 0 1000.00 -999 ? >GLY.A 182 -7.28 69.91 44.93 -6.93 70.28 45.60 -7.11 70.09 45.26 1 0 1000.00 -999 ? >ASN.A 183 -5.98 73.35 48.10 -7.28 72.61 49.60 -6.63 72.98 48.85 2 0 1000.00 -999 ? >ILE^A 184 -6.59 76.74 43.55 -7.36 76.94 42.46 -6.97 76.84 43.01 3 0 1000.00 -999 ? >ILE^A 185 -1.20 77.14 46.18 -0.44 76.69 47.38 -0.82 76.92 46.78 3 0 1000.00 -999 ? >THR^A 186 -1.74 81.29 44.01 -3.42 82.55 44.48 -2.58 81.92 44.24 2 0 1000.00 -999 ? >ASN.A 187 2.45 83.21 42.75 1.78 84.63 41.32 2.12 83.92 42.03 2 0 1000.00 -999 ? >ILE.A 188 -1.64 86.31 45.84 -2.80 87.10 45.54 -2.22 86.70 45.69 3 0 1000.00 -999 ? >THR.A 194 -3.48 91.29 50.42 -3.96 89.19 50.43 -3.72 90.24 50.42 2 0 1000.00 -999 ? >PHE.A 195 -6.32 94.70 50.97 -7.10 95.40 48.35 -6.71 95.05 49.66 3 0 1000.00 -999 ? >THR.A 200 -16.36 88.16 50.49 -18.35 87.49 49.92 -17.35 87.82 50.20 2 0 1000.00 -999 ? >ILE^A 201 -12.08 87.61 48.27 -10.61 87.79 48.46 -11.34 87.70 48.36 3 0 1000.00 -999 ? >MET?A 202 -14.19 88.02 44.29 -17.26 90.23 42.31 -15.72 89.13 43.30 2 0 1000.00 -999 ? >ILE^A 203 -10.85 84.88 43.03 -9.67 84.41 43.77 -10.26 84.65 43.40 3 0 1000.00 -999 ? >LYS^A 204 -11.40 85.92 38.54 -9.63 88.88 33.42 -10.52 87.40 35.98 2 0 1000.00 -999 ? >ILE^A 205 -9.71 81.65 37.29 -9.40 80.54 38.12 -9.56 81.09 37.70 3 0 1000.00 -999 ? >ASN.A 209 -8.96 77.39 26.36 -10.34 77.47 27.99 -9.65 77.43 27.18 2 0 1000.00 -999 ? >GLY.A 210 -8.92 81.88 27.32 -9.33 81.29 27.74 -9.13 81.58 27.53 1 0 1000.00 -999 ? >ILE.A 211 -12.80 79.69 29.34 -13.99 78.80 29.20 -13.39 79.24 29.27 3 0 1000.00 -999 ? >ILE^A 214 -16.19 85.61 37.97 -16.14 87.07 37.74 -16.16 86.34 37.85 3 0 1000.00 -999 ? >ILE^A 215 -15.35 81.67 42.22 -14.18 80.79 42.06 -14.76 81.23 42.14 3 0 1000.00 -999 ? >LYS^A 216 -16.81 84.39 45.30 -22.14 87.66 44.02 -19.47 86.03 44.66 2 0 1000.00 -999 ? >CYH^A 217 -14.53 83.43 48.20 -12.59 82.21 46.55 -13.56 82.82 47.38 2 0 1000.00 -999 ? >PHE^A 219 -9.42 86.49 53.45 -6.76 86.68 54.29 -8.09 86.58 53.87 3 0 1000.00 -999 ? >VAL.A 220 -10.90 83.10 56.36 -12.25 81.47 55.85 -11.57 82.29 56.10 3 0 1000.00 -999 ? >SER.A 222 -8.99 77.88 58.79 -8.52 77.67 61.16 -8.75 77.78 59.98 2 0 1000.00 -999 ? >TYR.A 223 -8.04 74.15 55.42 -5.56 74.62 54.21 -6.80 74.38 54.81 3 0 1000.00 -999 ? >PHE.A 224 -12.29 72.77 60.39 -10.96 70.32 60.76 -11.63 71.54 60.58 3 0 1000.00 -999 ? >GLU.A 226 -16.48 81.08 55.94 -18.24 82.13 56.48 -17.36 81.60 56.21 2 0 1000.00 -999 ? >LYS.A 227 -18.00 75.09 54.76 -17.58 71.75 60.10 -17.79 73.42 57.43 2 0 1000.00 -999 ? >ASN.A 229 -19.52 79.42 49.78 -19.72 80.41 51.67 -19.62 79.92 50.72 2 0 1000.00 -999 ? >PHE.A 230 -15.33 77.79 46.00 -15.57 75.76 44.09 -15.45 76.77 45.04 3 0 1000.00 -999 ? >ILE^A 231 -12.81 79.15 52.15 -12.95 78.02 53.02 -12.88 78.59 52.58 3 0 1000.00 -999 ? >CYH^A 232 -9.46 81.40 50.26 -10.19 84.06 49.69 -9.82 82.73 49.98 2 0 1000.00 -999 ? >LEU^A 233 -7.08 80.71 53.92 -7.02 78.58 53.51 -7.05 79.64 53.72 3 0 1000.00 -999 ? >ILE^A 234 -2.28 83.18 54.25 -2.31 83.87 53.77 -2.29 83.53 54.01 3 0 1000.00 -999 ? >ASN.A 235 -1.45 77.53 52.71 -0.21 78.06 51.08 -0.83 77.80 51.90 2 0 1000.00 -999 ? >SER.A 236 1.57 77.27 55.77 1.62 75.01 54.84 1.60 76.14 55.30 2 0 1000.00 -999 ? >GLU.A 237 4.49 76.34 51.60 3.19 74.93 52.52 3.84 75.64 52.06 2 0 1000.00 -999 ? >GLY.A 238 2.43 82.00 53.07 2.20 81.55 52.49 2.32 81.77 52.78 1 0 1000.00 -999 ? >PHE.A 239 2.36 81.51 48.24 5.07 81.83 47.49 3.71 81.67 47.87 3 0 1000.00 -999 ? >LEU^A 240 -3.78 84.14 48.41 -5.80 84.89 48.64 -4.79 84.51 48.53 3 0 1000.00 -999 ? >GLU^A 241 -4.76 77.05 49.07 -3.94 75.62 50.40 -4.35 76.33 49.74 2 0 1000.00 -999 ? >ILE^A 242 -8.95 78.96 45.89 -9.65 79.77 44.93 -9.30 79.37 45.41 3 0 1000.00 -999 ? >SER^A 243 -10.29 75.58 48.70 -9.96 73.85 50.41 -10.12 74.71 49.55 2 0 1000.00 -999 ? >LYS.A 244 -13.67 73.94 49.25 -17.97 73.61 50.18 -15.82 73.78 49.71 2 0 1000.00 -999 ? >PHE.A 245 -15.86 71.23 54.42 -16.14 69.24 56.38 -16.00 70.23 55.40 3 0 1000.00 -999 ? >MET?A 246 -13.82 68.24 51.96 -12.92 66.32 54.72 -13.37 67.28 53.34 2 0 1000.00 -999 ? >ASP.A 247 -15.07 69.50 47.64 -15.96 68.58 45.95 -15.51 69.04 46.80 2 0 1000.00 -999 ? >ASN~A 248 -11.17 68.20 44.32 -9.29 68.33 43.32 -10.23 68.26 43.82 2 0 1000.00 -999 ? >ALA~A 249 -11.62 73.04 44.18 -11.01 74.21 44.95 -11.31 73.63 44.57 2 0 1000.00 -999 ? >SER~A 250 -9.16 72.37 41.36 -7.12 71.57 40.31 -8.14 71.97 40.84 2 0 1000.00 -999 ? >LEU~A 252 -15.16 72.30 42.04 -16.17 71.00 43.45 -15.67 71.65 42.75 3 0 1000.00 -999 ? >LEU~A 253 -12.55 76.01 39.71 -13.48 77.21 41.24 -13.01 76.61 40.47 3 0 1000.00 -999 ? >ASN~A 254 -12.03 73.27 35.03 -11.62 71.75 33.61 -11.83 72.51 34.32 2 0 1000.00 -999 ? >VAL.A 255 -8.13 75.20 37.28 -8.16 76.99 38.53 -8.14 76.10 37.90 3 0 1000.00 -999 ? >ASP.A 256 -4.49 73.45 34.99 -2.70 72.32 34.82 -3.59 72.88 34.90 2 0 1000.00 -999 ? >TYR.A 257 0.50 73.65 37.79 1.14 72.11 40.03 0.82 72.88 38.91 3 0 1000.00 -999 ? >LEU.A 258 0.44 78.49 34.13 2.56 78.15 34.40 1.50 78.32 34.27 3 0 1000.00 -999 ? >ASP.A 259 -5.25 79.38 35.63 -5.78 77.73 34.40 -5.51 78.55 35.02 2 0 1000.00 -999 ? >GLU^A 260 -3.00 84.96 33.65 -3.08 86.63 32.31 -3.04 85.79 32.98 2 0 1000.00 -999 ? >ILE^A 261 -4.96 84.63 40.26 -6.01 83.77 40.76 -5.48 84.20 40.51 3 0 1000.00 -999 ? >ILE^A 263 -7.97 89.63 44.10 -7.85 89.14 45.47 -7.91 89.39 44.79 3 0 1000.00 -999 ? >GLU^A 264 -12.23 91.16 40.64 -12.50 91.25 38.53 -12.37 91.21 39.58 2 0 1000.00 -999 ? >ILE.B 11 22.95 53.62 72.43 24.37 53.80 72.50 23.66 53.71 72.46 3 0 1000.00 -999 ? >LEU.B 12 17.95 56.46 70.97 16.25 56.00 72.25 17.10 56.23 71.61 3 0 1000.00 -999 ? >ASP.B 13 20.71 53.51 66.77 22.64 53.75 66.00 21.67 53.63 66.38 2 0 1000.00 -999 ? >ILE^B 14 16.33 53.53 64.33 16.78 52.90 63.99 16.55 53.22 64.16 3 0 1000.00 -999 ? >ILE^B 15 14.49 58.98 64.30 14.33 60.37 63.96 14.41 59.68 64.13 3 0 1000.00 -999 ? >THR^B 16 11.18 56.57 61.96 10.55 54.64 62.75 10.86 55.61 62.35 2 0 1000.00 -999 ? >LEU^B 17 9.07 59.79 59.36 10.35 61.38 60.10 9.71 60.58 59.73 3 0 1000.00 -999 ? >THR^B 18 4.92 57.87 59.58 4.13 55.94 60.12 4.52 56.90 59.85 2 0 1000.00 -999 ? >THR^B 19 2.62 60.58 58.24 4.17 61.92 57.48 3.40 61.25 57.86 2 0 1000.00 -999 ? >ASP.B 20 -1.75 61.26 56.79 -2.06 63.07 57.79 -1.91 62.17 57.29 2 0 1000.00 -999 ? >PHE.B 21 2.87 65.06 56.10 3.07 65.93 58.75 2.97 65.50 57.43 3 0 1000.00 -999 ? >GLY.B 22 1.87 62.36 50.94 2.51 62.75 51.40 2.19 62.56 51.17 1 0 1000.00 -999 ? >THR.B 23 4.79 63.04 48.62 5.75 61.12 48.46 5.27 62.08 48.54 2 0 1000.00 -999 ? >ASN.B 24 1.50 65.52 46.09 0.99 66.67 44.35 1.25 66.10 45.22 2 0 1000.00 -999 ? >GLU.B 25 2.01 69.48 49.49 0.63 68.56 48.15 1.32 69.02 48.82 2 0 1000.00 -999 ? >GLY~B 26 7.45 68.82 50.44 6.81 68.88 50.94 7.13 68.85 50.69 1 0 1000.00 -999 ? >TYR~B 27 3.85 69.23 53.92 1.88 70.96 52.95 2.87 70.10 53.43 3 0 1000.00 -999 ? >VAL~B 28 7.98 65.21 54.64 7.59 63.12 54.12 7.78 64.16 54.38 3 0 1000.00 -999 ? >GLY~B 29 11.22 66.55 53.21 10.74 66.86 53.82 10.98 66.70 53.51 1 0 1000.00 -999 ? >ALA~B 30 11.03 69.55 55.53 9.83 70.48 55.66 10.43 70.02 55.60 2 0 1000.00 -999 ? >MET?B 31 10.58 67.24 58.50 7.28 65.37 60.10 8.93 66.31 59.30 2 0 1000.00 -999 ? >LYS~B 32 13.66 65.24 57.54 12.53 60.63 53.30 13.10 62.93 55.42 2 0 1000.00 -999 ? >GLY~B 33 15.52 68.53 57.17 15.11 68.25 57.84 15.32 68.39 57.50 1 0 1000.00 -999 ? >ARG~B 34 13.44 71.92 62.77 15.23 73.00 60.51 14.34 72.46 61.64 2 0 1000.00 -999 ? >ILE~B 35 14.86 65.20 61.97 14.18 63.99 62.23 14.52 64.60 62.10 3 0 1000.00 -999 ? >LEU~B 36 18.65 66.26 58.75 19.15 64.47 57.68 18.90 65.37 58.22 3 0 1000.00 -999 ? >ASN~B 37 18.69 71.09 61.00 19.81 72.90 60.92 19.25 71.99 60.96 2 0 1000.00 -999 ? >ILE~B 38 17.91 68.96 65.67 16.88 69.11 66.65 17.40 69.04 66.16 3 0 1000.00 -999 ? >LEU~B 39 20.74 64.91 63.99 19.19 63.57 64.68 19.97 64.24 64.33 3 0 1000.00 -999 ? >LYS~B 41 24.17 70.59 65.49 21.43 75.91 67.69 22.80 73.25 66.59 2 0 1000.00 -999 ? >TYR~B 42 22.69 68.86 69.67 21.03 70.94 70.56 21.86 69.90 70.12 3 0 1000.00 -999 ? >ASN.B 43 28.31 66.01 66.80 29.77 64.88 65.74 29.04 65.45 66.27 2 0 1000.00 -999 ? >LYS.B 44 24.42 62.95 66.80 22.68 58.51 69.42 23.55 60.73 68.11 2 0 1000.00 -999 ? >ASP.B 45 25.70 59.33 63.86 25.54 58.41 61.95 25.62 58.87 62.90 2 0 1000.00 -999 ? >ALA.B 46 21.15 58.47 63.59 20.08 59.18 64.40 20.62 58.82 63.99 2 0 1000.00 -999 ? >LYS^B 47 19.27 56.79 60.78 23.24 53.33 59.25 21.25 55.06 60.02 2 0 1000.00 -999 ? >ILE^B 48 15.91 59.60 58.86 15.48 61.00 58.95 15.70 60.30 58.91 3 0 1000.00 -999 ? >ILE^B 49 13.68 54.14 59.06 14.46 53.27 58.18 14.07 53.70 58.62 3 0 1000.00 -999 ? >ASP^B 50 10.30 56.33 54.97 10.80 58.35 54.66 10.55 57.34 54.82 2 0 1000.00 -999 ? >ILE^B 51 6.88 53.53 58.78 6.53 52.77 60.01 6.71 53.15 59.40 3 0 1000.00 -999 ? >SER^B 52 4.90 55.22 55.31 2.60 54.78 54.70 3.75 55.00 55.00 2 0 1000.00 -999 ? >HIS.B 53 5.94 59.74 54.44 7.43 59.93 55.89 6.69 59.83 55.17 3 0 1000.00 -999 ? >GLU.B 54 2.04 56.49 50.47 2.07 58.52 49.81 2.06 57.50 50.14 2 0 1000.00 -999 ? >ILE.B 55 -1.31 57.31 56.95 -1.43 56.02 57.65 -1.37 56.67 57.30 3 0 1000.00 -999 ? >LYS.B 56 -5.00 58.05 54.28 -6.38 52.73 53.43 -5.69 55.39 53.85 2 0 1000.00 -999 ? >PRO.B 57 -5.23 62.15 52.87 -5.39 61.11 54.84 -5.31 61.63 53.86 3 0 1000.00 -999 ? >PHE.B 58 -7.67 64.25 57.88 -7.07 66.63 56.53 -7.37 65.44 57.21 3 0 1000.00 -999 ? >ASN~B 59 -7.36 57.36 58.14 -8.72 55.77 58.52 -8.04 56.57 58.33 2 0 1000.00 -999 ? >ILE~B 60 -6.13 58.10 64.09 -7.00 58.85 64.95 -6.56 58.47 64.52 3 0 1000.00 -999 ? >TYR~B 61 -9.36 54.20 63.03 -11.04 55.43 64.88 -10.20 54.82 63.96 3 0 1000.00 -999 ? >HIS~B 62 -4.34 53.77 56.78 -3.08 53.36 55.16 -3.71 53.57 55.97 3 0 1000.00 -999 ? >GLY~B 63 -2.05 54.95 60.83 -2.55 54.35 61.11 -2.30 54.65 60.97 1 0 1000.00 -999 ? >ALA~B 64 -2.55 52.91 64.00 -3.84 52.85 64.81 -3.19 52.88 64.40 2 0 1000.00 -999 ? >TYR~B 65 -3.69 47.87 60.56 -3.63 45.17 59.89 -3.66 46.52 60.23 3 0 1000.00 -999 ? >VAL~B 66 0.56 50.46 60.00 1.08 51.53 58.14 0.82 51.00 59.07 3 0 1000.00 -999 ? >LEU~B 67 2.04 52.47 64.22 2.69 54.54 64.08 2.37 53.50 64.15 3 0 1000.00 -999 ? >LEU~B 68 -0.12 47.63 64.99 -0.78 45.88 66.09 -0.45 46.76 65.54 3 0 1000.00 -999 ? >THR~B 69 2.69 46.20 61.77 1.74 45.69 59.88 2.22 45.95 60.82 2 0 1000.00 -999 ? >ALA~B 70 6.10 47.86 61.50 6.27 49.10 60.61 6.18 48.48 61.06 2 0 1000.00 -999 ? >ILE~B 71 6.68 50.03 65.82 6.57 51.28 66.53 6.63 50.66 66.18 3 0 1000.00 -999 ? >PRO~B 72 5.39 45.93 67.03 7.49 46.39 66.46 6.44 46.16 66.75 3 0 1000.00 -999 ? >TYR~B 73 8.86 43.28 62.75 6.84 41.36 62.96 7.85 42.32 62.86 3 0 1000.00 -999 ? >PHE~B 74 12.10 49.45 63.43 11.63 50.39 60.86 11.86 49.92 62.15 3 0 1000.00 -999 ? >PRO.B 75 16.89 48.17 66.16 14.95 47.44 67.03 15.92 47.80 66.60 3 0 1000.00 -999 ? >PRO.B 76 15.62 48.37 71.95 14.95 49.37 70.08 15.28 48.87 71.01 3 0 1000.00 -999 ? >SER.B 77 14.38 53.32 68.71 13.40 52.10 66.91 13.89 52.71 67.81 2 0 1000.00 -999 ? >VAL^B 78 12.39 56.51 68.16 13.15 58.39 68.90 12.77 57.45 68.53 3 0 1000.00 -999 ? >HIS^B 79 9.21 54.14 66.36 10.63 52.60 66.32 9.92 53.37 66.34 3 0 1000.00 -999 ? >VAL^B 80 7.52 59.86 65.01 8.59 61.77 64.86 8.06 60.82 64.94 3 0 1000.00 -999 ? >ALA^B 81 3.96 59.55 63.74 3.21 58.34 64.28 3.58 58.94 64.01 2 0 1000.00 -999 ? >VAL^B 82 2.10 62.64 62.57 3.17 64.52 62.37 2.63 63.58 62.47 3 0 1000.00 -999 ? >ILE.B 83 -1.84 60.57 61.43 -1.73 59.53 60.83 -1.78 60.05 61.13 3 0 1000.00 -999 ? >ASP.B 84 -3.63 64.94 64.49 -4.97 65.26 66.11 -4.30 65.10 65.30 2 0 1000.00 -999 ? >PRO.B 85 -8.59 63.83 63.14 -7.07 65.15 62.19 -7.83 64.49 62.67 3 0 1000.00 -999 ? >THR.B 86 -7.03 69.01 63.40 -7.58 69.14 65.50 -7.30 69.07 64.45 2 0 1000.00 -999 ? >SER^B 93 0.35 65.54 72.05 1.42 67.69 71.69 0.89 66.62 71.87 2 0 1000.00 -999 ? >ILE^B 94 1.81 61.99 74.62 0.55 61.22 74.75 1.18 61.60 74.68 3 0 1000.00 -999 ? >VAL^B 95 5.85 61.10 74.05 7.84 61.97 74.12 6.84 61.54 74.09 3 0 1000.00 -999 ? >ILE^B 96 4.30 56.58 74.49 3.04 55.93 74.51 3.67 56.25 74.50 3 0 1000.00 -999 ? >THR^B 98 7.78 51.51 76.26 7.38 50.36 74.46 7.58 50.93 75.36 2 0 1000.00 -999 ? >LYS.B 99 8.89 48.83 78.71 5.13 45.03 81.92 7.01 46.93 80.32 2 0 1000.00 -999 ? >SER.B 100 11.77 47.85 76.41 11.52 45.54 75.76 11.65 46.69 76.09 2 0 1000.00 -999 ? >GLY.B 101 12.73 51.48 75.81 12.26 51.15 75.30 12.50 51.31 75.56 1 0 1000.00 -999 ? >TYR.B 102 10.43 50.35 71.30 11.28 47.91 70.21 10.85 49.13 70.76 3 0 1000.00 -999 ? >TYR^B 103 11.65 57.34 73.65 12.83 57.39 76.19 12.24 57.36 74.92 3 0 1000.00 -999 ? >LEU^B 104 5.50 56.14 70.63 5.53 53.99 70.30 5.52 55.07 70.47 3 0 1000.00 -999 ? >VAL^B 105 6.41 60.74 69.42 8.03 62.18 69.20 7.22 61.46 69.31 3 0 1000.00 -999 ? >GLY^B 106 3.08 62.11 68.22 3.09 62.23 69.01 3.09 62.17 68.61 1 0 1000.00 -999 ? >PRO^B 107 -0.97 62.64 66.86 0.17 63.16 68.69 -0.40 62.90 67.78 3 0 1000.00 -999 ? >ASP.B 108 -2.65 62.71 73.12 -3.36 61.46 74.66 -3.00 62.08 73.89 2 0 1000.00 -999 ? >ASN.B 109 -5.87 61.57 68.50 -4.31 61.23 67.08 -5.09 61.40 67.79 2 0 1000.00 -999 ? >GLY.B 110 -5.33 56.95 69.74 -4.74 57.33 69.35 -5.03 57.14 69.55 1 0 1000.00 -999 ? >LEU.B 111 -1.84 57.80 66.53 -0.97 57.85 64.54 -1.40 57.82 65.54 3 0 1000.00 -999 ? >PHE~B 112 1.64 56.09 69.17 3.49 57.58 67.66 2.57 56.84 68.41 3 0 1000.00 -999 ? >THR~B 113 -3.16 52.56 70.86 -5.29 52.65 71.07 -4.23 52.61 70.97 2 0 1000.00 -999 ? >TYR~B 114 -3.98 49.02 67.41 -6.51 49.61 66.36 -5.24 49.32 66.89 3 0 1000.00 -999 ? >VAL~B 115 1.47 49.70 69.14 2.86 51.25 68.48 2.17 50.48 68.81 3 0 1000.00 -999 ? >ALA~B 116 1.38 50.91 72.78 0.47 52.02 73.29 0.93 51.46 73.03 2 0 1000.00 -999 ? >LYS~B 118 1.84 45.50 72.13 2.04 40.75 69.65 1.94 43.13 70.89 2 0 1000.00 -999 ? >LEU~B 119 5.94 47.93 72.66 7.16 47.47 70.95 6.55 47.70 71.80 3 0 1000.00 -999 ? >GLY~B 120 3.84 47.91 76.86 4.05 48.46 76.34 3.95 48.18 76.60 1 0 1000.00 -999 ? >ILE^B 121 2.06 52.07 78.54 1.07 53.05 78.13 1.56 52.56 78.33 3 0 1000.00 -999 ? >LYS^B 122 6.14 52.40 80.84 12.40 52.34 81.56 9.27 52.37 81.20 2 0 1000.00 -999 ? >ARG^B 123 9.32 56.72 81.81 10.98 59.03 80.68 10.15 57.87 81.25 2 0 1000.00 -999 ? >ILE^B 124 1.95 58.65 79.29 0.71 58.19 78.69 1.33 58.42 78.99 3 0 1000.00 -999 ? >ILE^B 125 6.67 62.32 79.00 7.20 61.74 79.30 6.94 62.03 79.15 3 0 1000.00 -999 ? >LYS^B 126 3.27 65.29 77.94 -1.26 69.61 78.89 1.00 67.45 78.41 2 0 1000.00 -999 ? >ILE.B 127 5.00 67.25 73.82 5.64 66.92 72.56 5.32 67.09 73.19 3 0 1000.00 -999 ? >GLU.B 129 2.99 75.39 75.38 4.30 75.96 76.96 3.64 75.67 76.17 2 0 1000.00 -999 ? >GLU.B 130 9.60 72.98 75.36 10.92 71.93 76.63 10.26 72.45 75.99 2 0 1000.00 -999 ? >ARG.B 131 9.52 72.33 71.51 10.77 69.97 73.01 10.14 71.15 72.26 2 0 1000.00 -999 ? >ARG~B 141 4.05 72.61 60.57 1.93 74.82 60.68 2.99 73.71 60.63 2 0 1000.00 -999 ? >ASP~B 142 7.95 71.91 62.84 7.99 71.82 60.72 7.97 71.86 61.78 2 0 1000.00 -999 ? >VAL~B 143 7.18 70.10 67.19 5.90 70.76 68.80 6.54 70.43 67.99 3 0 1000.00 -999 ? >TYR~B 144 4.68 65.79 66.31 2.05 66.12 67.24 3.36 65.95 66.77 3 0 1000.00 -999 ? >ALA~B 145 10.22 66.38 64.46 10.40 67.19 63.19 10.31 66.78 63.82 2 0 1000.00 -999 ? >VAL~B 146 12.23 68.41 66.97 12.49 70.54 67.48 12.36 69.48 67.23 3 0 1000.00 -999 ? >VAL~B 147 11.09 66.36 69.97 9.28 66.25 71.16 10.19 66.31 70.56 3 0 1000.00 -999 ? >GLY~B 148 12.10 63.19 68.13 12.56 63.85 68.30 12.33 63.52 68.21 1 0 1000.00 -999 ? >ALA~B 149 15.59 64.46 67.37 15.89 65.69 66.53 15.74 65.08 66.95 2 0 1000.00 -999 ? >ILE~B 151 13.94 61.42 72.02 12.74 60.77 72.56 13.34 61.09 72.29 3 0 1000.00 -999 ? >LEU~B 152 18.14 61.06 68.51 17.52 59.64 67.00 17.83 60.35 67.76 3 0 1000.00 -999 ? >ILE~B 153 20.67 64.79 71.03 21.03 65.94 70.30 20.85 65.36 70.67 3 0 1000.00 -999 ? >ASN~B 154 18.58 63.96 75.57 18.90 66.02 75.15 18.74 64.99 75.36 2 0 1000.00 -999 ? >ASN.B 155 20.17 58.67 74.86 20.03 56.56 74.52 20.10 57.61 74.69 2 0 1000.00 -999 ? >GLY.B 156 15.65 59.86 76.22 15.83 60.59 75.81 15.74 60.23 76.01 1 0 1000.00 -999 ? >TYR.B 157 11.16 63.71 76.00 9.80 66.11 75.53 10.48 64.91 75.77 3 0 1000.00 -999 ? >GLY.B 159 8.71 65.96 81.32 8.68 65.27 81.78 8.70 65.61 81.55 1 0 1000.00 -999 ? >GLU^B 160 2.86 66.53 83.37 1.41 68.07 83.44 2.13 67.30 83.41 2 0 1000.00 -999 ? >GLU^B 161 5.97 61.33 84.90 7.15 60.65 83.28 6.56 60.99 84.09 2 0 1000.00 -999 ? >MET?B 165 -3.88 58.45 76.98 -1.49 55.37 75.07 -2.68 56.91 76.03 2 0 1000.00 -999 ? >VAL.B 166 -6.66 58.53 74.38 -7.56 60.13 73.19 -7.11 59.33 73.78 3 0 1000.00 -999 ? >LYS.B 167 -7.29 54.96 73.25 -5.80 51.06 77.54 -6.55 53.01 75.39 2 0 1000.00 -999 ? >ILE.B 168 -8.43 52.90 68.99 -8.18 52.98 67.56 -8.30 52.94 68.27 3 0 1000.00 -999 ? >ASP.B 169 -13.49 51.88 71.72 -14.71 50.56 72.85 -14.10 51.22 72.29 2 0 1000.00 -999 ? >THR.B 171 -14.23 46.30 72.71 -14.68 47.55 74.42 -14.45 46.92 73.57 2 0 1000.00 -999 ? >LYS.B 172 -16.65 46.86 69.86 -20.68 51.10 67.40 -18.67 48.98 68.63 2 0 1000.00 -999 ? >LYS.B 173 -15.98 44.78 66.72 -12.27 41.94 68.59 -14.12 43.36 67.66 2 0 1000.00 -999 ? >ARG.B 174 -14.63 50.11 65.36 -13.51 52.04 67.46 -14.07 51.07 66.41 2 0 1000.00 -999 ? >VAL^B 175 -13.61 47.29 60.34 -14.19 47.46 58.25 -13.90 47.38 59.29 3 0 1000.00 -999 ? >ILE^B 176 -9.20 46.55 62.00 -7.89 45.80 62.16 -8.54 46.17 62.08 3 0 1000.00 -999 ? >HIS^B 177 -5.89 48.55 57.46 -4.49 49.13 56.02 -5.19 48.84 56.74 3 0 1000.00 -999 ? >ILE^B 178 -9.73 49.12 53.75 -11.05 49.26 53.15 -10.39 49.19 53.45 3 0 1000.00 -999 ? >ASP.B 179 -5.96 45.39 51.65 -4.79 44.10 52.80 -5.38 44.74 52.23 2 0 1000.00 -999 ? >ARG.B 180 -1.17 46.52 47.60 0.96 47.60 45.69 -0.10 47.06 46.64 2 0 1000.00 -999 ? >PHE.B 181 -4.63 43.45 47.35 -1.94 42.77 46.85 -3.29 43.11 47.10 3 0 1000.00 -999 ? >GLY.B 182 -9.56 46.31 49.21 -9.10 45.69 49.51 -9.33 46.00 49.36 1 0 1000.00 -999 ? >ASN.B 183 -8.27 42.55 52.08 -7.67 41.31 50.45 -7.97 41.93 51.26 2 0 1000.00 -999 ? >ILE^B 184 -13.08 43.99 54.85 -14.39 44.43 54.68 -13.74 44.21 54.77 3 0 1000.00 -999 ? >ILE^B 185 -8.03 44.24 58.15 -6.57 43.89 58.10 -7.30 44.07 58.13 3 0 1000.00 -999 ? >THR^B 186 -11.46 43.22 61.19 -12.78 41.70 61.95 -12.12 42.46 61.57 2 0 1000.00 -999 ? >ASN^B 187 -12.07 44.25 65.89 -12.03 46.32 66.18 -12.05 45.29 66.03 2 0 1000.00 -999 ? >ILE^B 188 -12.67 39.31 65.06 -13.92 38.76 64.95 -13.29 39.03 65.01 3 0 1000.00 -999 ? >LYS^B 189 -8.31 38.25 66.57 -7.19 41.83 70.30 -7.75 40.04 68.43 2 0 1000.00 -999 ? >LYS.B 190 -7.62 34.57 65.94 -6.37 30.08 63.86 -6.99 32.32 64.90 2 0 1000.00 -999 ? >GLU~B 192 -10.84 37.40 70.14 -11.36 39.47 70.11 -11.10 38.44 70.12 2 0 1000.00 -999 ? >VAL~B 193 -12.84 32.94 66.54 -12.25 32.99 64.43 -12.55 32.96 65.49 3 0 1000.00 -999 ? >THR.B 194 -13.99 29.32 66.77 -16.11 29.41 67.03 -15.05 29.37 66.90 2 0 1000.00 -999 ? >TYR.B 197 -9.40 26.09 58.97 -7.20 27.80 59.27 -8.30 26.94 59.12 3 0 1000.00 -999 ? >TYR.B 198 -11.90 24.20 54.64 -9.23 24.22 53.79 -10.56 24.21 54.22 3 0 1000.00 -999 ? >ASP.B 199 -16.97 26.48 59.08 -16.46 24.70 60.10 -16.72 25.59 59.59 2 0 1000.00 -999 ? >THR^B 200 -19.48 28.88 56.37 -20.92 28.88 54.75 -20.20 28.88 55.56 2 0 1000.00 -999 ? >ILE^B 201 -18.26 32.74 58.93 -17.31 33.12 59.99 -17.78 32.93 59.46 3 0 1000.00 -999 ? >MET?B 202 -22.31 34.62 58.31 -26.58 34.27 58.76 -24.44 34.44 58.53 2 0 1000.00 -999 ? >ILE^B 203 -19.48 38.49 58.11 -18.05 38.60 58.23 -18.77 38.55 58.17 3 0 1000.00 -999 ? >LYS^B 204 -23.18 41.08 59.29 -28.99 41.86 61.87 -26.08 41.47 60.58 2 0 1000.00 -999 ? >ILE^B 205 -20.95 44.63 57.20 -19.58 44.74 56.66 -20.27 44.68 56.93 3 0 1000.00 -999 ? >HIS.B 207 -22.42 50.21 55.31 -22.34 48.53 54.06 -22.38 49.37 54.68 3 0 1000.00 -999 ? >LYS.B 208 -22.32 54.23 59.67 -18.95 56.73 56.13 -20.64 55.48 57.90 2 0 1000.00 -999 ? >ASN.B 209 -25.20 55.88 56.19 -23.44 57.03 55.78 -24.32 56.45 55.99 2 0 1000.00 -999 ? >GLY.B 210 -27.65 52.65 58.70 -27.19 52.44 58.13 -27.42 52.54 58.42 1 0 1000.00 -999 ? >GLU^B 212 -27.50 44.98 58.61 -28.59 44.72 60.41 -28.05 44.85 59.51 2 0 1000.00 -999 ? >LYS^B 213 -25.29 44.01 54.72 -23.17 47.25 49.72 -24.23 45.63 52.22 2 0 1000.00 -999 ? >ILE^B 214 -26.43 39.59 55.98 -27.21 39.07 57.07 -26.82 39.33 56.52 3 0 1000.00 -999 ? >ILE^B 215 -21.52 38.64 53.08 -20.45 39.60 53.15 -20.99 39.12 53.12 3 0 1000.00 -999 ? >LYS^B 216 -21.63 34.36 53.72 -27.23 31.60 52.44 -24.43 32.98 53.08 2 0 1000.00 -999 ? >CYH^B 217 -17.90 33.65 53.87 -17.33 36.29 54.52 -17.62 34.97 54.20 2 0 1000.00 -999 ? >LYS^B 218 -15.83 30.53 53.97 -18.09 25.55 51.03 -16.96 28.04 52.50 2 0 1000.00 -999 ? >PHE^B 219 -12.19 30.47 58.98 -10.03 30.88 60.72 -11.11 30.68 59.85 3 0 1000.00 -999 ? >VAL.B 220 -10.04 29.37 54.70 -10.55 30.06 52.70 -10.29 29.72 53.70 3 0 1000.00 -999 ? >SER.B 222 -5.17 31.12 51.72 -5.11 29.47 49.94 -5.14 30.29 50.83 2 0 1000.00 -999 ? >TYR.B 223 -5.19 35.93 50.02 -4.52 37.66 52.13 -4.85 36.80 51.07 3 0 1000.00 -999 ? >GLU.B 225 -7.74 27.66 49.57 -7.44 27.04 51.57 -7.59 27.35 50.57 2 0 1000.00 -999 ? >GLU.B 226 -13.70 28.34 49.77 -15.31 27.08 49.19 -14.50 27.71 49.48 2 0 1000.00 -999 ? >LYS.B 227 -12.28 31.71 44.62 -6.94 30.04 41.58 -9.61 30.87 43.10 2 0 1000.00 -999 ? >ASN.B 228 -16.79 30.50 43.30 -15.88 29.23 41.84 -16.34 29.87 42.57 2 0 1000.00 -999 ? >ASN.B 229 -18.24 32.49 47.64 -19.91 33.64 48.35 -19.07 33.06 47.99 2 0 1000.00 -999 ? >PHE.B 230 -17.59 37.87 49.56 -18.42 40.17 48.17 -18.01 39.02 48.86 3 0 1000.00 -999 ? >ILE^B 231 -12.43 33.60 51.32 -11.46 33.40 50.44 -11.94 33.50 50.88 3 0 1000.00 -999 ? >CYH^B 232 -12.33 35.25 55.36 -14.03 34.08 57.18 -13.18 34.66 56.27 2 0 1000.00 -999 ? >LEU^B 233 -8.01 33.81 55.80 -7.16 35.17 54.34 -7.59 34.49 55.07 3 0 1000.00 -999 ? >ILE^B 234 -6.09 34.41 60.79 -6.62 34.41 61.45 -6.36 34.41 61.12 3 0 1000.00 -999 ? >ASN.B 235 -4.15 38.99 57.56 -4.78 40.38 59.04 -4.46 39.68 58.30 2 0 1000.00 -999 ? >SER.B 236 -0.21 38.04 58.91 0.46 39.69 57.25 0.13 38.87 58.08 2 0 1000.00 -999 ? >GLU.B 237 -0.49 42.67 61.07 -0.08 42.52 59.00 -0.29 42.59 60.03 2 0 1000.00 -999 ? >GLY.B 238 -3.54 37.83 63.49 -3.82 38.39 63.07 -3.68 38.11 63.28 1 0 1000.00 -999 ? >PHE^B 239 -6.35 41.75 63.41 -5.26 43.46 65.35 -5.80 42.60 64.38 3 0 1000.00 -999 ? >LEU^B 240 -11.23 37.66 61.35 -12.83 36.56 60.42 -12.03 37.11 60.88 3 0 1000.00 -999 ? >GLU^B 241 -8.47 40.47 55.35 -6.50 40.47 54.54 -7.48 40.47 54.94 2 0 1000.00 -999 ? >ILE^B 242 -14.01 40.15 54.65 -15.38 40.28 54.91 -14.69 40.22 54.78 3 0 1000.00 -999 ? >SER^B 243 -11.52 38.90 50.95 -9.40 38.65 49.74 -10.46 38.78 50.35 2 0 1000.00 -999 ? >LYS.B 244 -12.60 38.15 47.37 -14.34 36.39 43.62 -13.47 37.27 45.50 2 0 1000.00 -999 ? >PHE.B 245 -9.25 34.57 43.55 -7.16 33.79 41.86 -8.20 34.18 42.70 3 0 1000.00 -999 ? >MET?B 246 -8.82 38.88 42.38 -6.11 37.66 40.89 -7.47 38.27 41.64 2 0 1000.00 -999 ? >ASP.B 247 -12.80 40.90 43.67 -14.13 41.83 42.34 -13.46 41.37 43.01 2 0 1000.00 -999 ? >ASN~B 248 -11.65 45.72 45.34 -11.18 47.26 46.74 -11.41 46.49 46.04 2 0 1000.00 -999 ? >ALA~B 249 -14.23 43.24 48.71 -13.85 42.30 49.86 -14.04 42.77 49.28 2 0 1000.00 -999 ? >SER~B 250 -14.21 46.75 50.10 -13.30 48.80 50.97 -13.76 47.77 50.54 2 0 1000.00 -999 ? >LEU~B 252 -17.58 43.73 46.30 -16.83 42.78 44.50 -17.20 43.25 45.40 3 0 1000.00 -999 ? >LEU~B 253 -19.04 44.83 51.04 -19.22 42.69 51.16 -19.13 43.76 51.10 3 0 1000.00 -999 ? >ASN~B 254 -20.57 49.91 49.75 -20.64 52.03 49.65 -20.60 50.97 49.70 2 0 1000.00 -999 ? >VAL.B 255 -17.43 48.86 53.40 -17.24 47.01 54.54 -17.33 47.93 53.97 3 0 1000.00 -999 ? >ASP.B 256 -16.03 53.10 54.83 -14.60 54.65 55.17 -15.32 53.88 55.00 2 0 1000.00 -999 ? >TYR.B 257 -10.92 52.85 57.68 -8.40 52.31 56.58 -9.66 52.58 57.13 3 0 1000.00 -999 ? >LEU.B 258 -15.45 53.12 61.79 -13.88 54.07 62.88 -14.66 53.59 62.33 3 0 1000.00 -999 ? >ASP.B 259 -18.42 49.12 58.63 -18.57 50.60 57.13 -18.50 49.86 57.88 2 0 1000.00 -999 ? >GLU^B 260 -20.71 48.90 64.58 -22.50 49.71 65.37 -21.60 49.30 64.98 2 0 1000.00 -999 ? >ILE^B 261 -17.50 43.32 62.20 -17.34 43.01 60.77 -17.42 43.16 61.48 3 0 1000.00 -999 ? >GLU^B 262 -23.15 40.77 65.17 -25.15 41.32 65.57 -24.15 41.04 65.37 2 0 1000.00 -999 ? >ILE.B 263 -18.84 36.72 63.41 -17.60 36.13 62.97 -18.22 36.42 63.19 3 0 1000.00 -999 ? >GLU.B 264 -24.42 35.96 62.59 -25.80 37.51 63.00 -25.11 36.74 62.80 2 0 1000.00 -999 ? >ILE.C 11 33.49 45.56 53.68 33.12 46.42 54.81 33.30 45.99 54.24 3 0 1000.00 -999 ? >LEU.C 12 28.61 43.58 51.84 28.60 42.23 50.16 28.61 42.90 51.00 3 0 1000.00 -999 ? >ASP.C 13 28.83 49.21 53.27 29.35 49.81 51.31 29.09 49.51 52.29 2 0 1000.00 -999 ? >ILE^C 14 24.97 49.32 49.75 24.95 50.56 48.98 24.96 49.94 49.36 3 0 1000.00 -999 ? >ILE^C 15 21.14 45.86 52.17 20.21 45.35 53.14 20.67 45.61 52.65 3 0 1000.00 -999 ? >THR^C 16 18.60 47.58 48.56 19.51 47.67 46.61 19.06 47.62 47.58 2 0 1000.00 -999 ? >LEU^C 17 14.19 47.04 50.03 14.72 46.14 51.91 14.45 46.59 50.97 3 0 1000.00 -999 ? >THR^C 18 12.53 46.20 45.82 13.25 46.32 43.76 12.89 46.26 44.79 2 0 1000.00 -999 ? >THR^C 19 8.98 44.97 46.50 8.84 45.44 48.63 8.91 45.20 47.56 2 0 1000.00 -999 ? >ASP.C 20 4.91 43.94 44.40 4.55 42.11 45.40 4.73 43.02 44.90 2 0 1000.00 -999 ? >PHE.C 21 5.84 44.37 50.24 7.09 41.90 50.62 6.46 43.14 50.43 3 0 1000.00 -999 ? >GLY.C 22 3.49 49.44 48.30 3.91 49.03 48.99 3.70 49.23 48.64 1 0 1000.00 -999 ? >THR.C 23 3.21 51.56 51.45 4.69 53.01 50.79 3.95 52.28 51.12 2 0 1000.00 -999 ? >ASN.C 24 -1.61 50.97 51.33 -3.56 51.57 51.96 -2.59 51.27 51.64 2 0 1000.00 -999 ? >GLU.C 25 -1.08 46.94 54.39 -2.26 47.77 52.84 -1.67 47.35 53.62 2 0 1000.00 -999 ? >GLY~C 26 3.51 48.55 57.18 3.38 47.93 56.72 3.44 48.24 56.95 1 0 1000.00 -999 ? >TYR~C 27 3.31 44.19 54.61 0.82 42.98 55.00 2.07 43.58 54.81 3 0 1000.00 -999 ? >VAL~C 28 8.11 47.60 54.11 8.46 48.77 52.27 8.28 48.19 53.19 3 0 1000.00 -999 ? >GLY~C 29 8.69 49.16 57.53 8.64 48.35 57.34 8.67 48.76 57.44 1 0 1000.00 -999 ? >ALA~C 30 8.71 45.79 59.31 7.58 44.76 59.30 8.15 45.28 59.30 2 0 1000.00 -999 ? >MET?C 31 11.26 44.62 56.79 11.59 43.49 52.69 11.42 44.05 54.74 2 0 1000.00 -999 ? >LYS~C 32 13.49 47.64 57.39 11.74 52.44 53.60 12.61 50.04 55.49 2 0 1000.00 -999 ? >GLY~C 33 13.25 47.22 61.15 13.43 46.64 60.57 13.34 46.93 60.86 1 0 1000.00 -999 ? >ARG~C 34 12.97 40.45 61.21 12.23 37.74 62.39 12.60 39.10 61.80 2 0 1000.00 -999 ? >ILE~C 35 17.17 44.67 57.60 17.49 44.65 56.22 17.33 44.66 56.91 3 0 1000.00 -999 ? >LEU~C 36 17.27 48.18 61.47 17.71 49.74 60.03 17.49 48.96 60.75 3 0 1000.00 -999 ? >ASN~C 37 16.15 44.11 64.62 16.17 43.22 66.55 16.16 43.67 65.59 2 0 1000.00 -999 ? >ILE~C 38 19.57 41.15 61.98 19.40 39.93 61.29 19.49 40.54 61.63 3 0 1000.00 -999 ? >LEU~C 39 21.95 45.75 61.09 22.52 45.45 59.03 22.24 45.60 60.06 3 0 1000.00 -999 ? >LYS~C 40 22.32 46.42 65.51 20.20 51.30 68.99 21.26 48.86 67.25 2 0 1000.00 -999 ? >LYS.C 41 22.92 43.03 67.15 19.98 37.76 69.04 21.45 40.40 68.10 2 0 1000.00 -999 ? >TYR.C 42 25.48 40.42 64.50 24.17 38.00 65.11 24.83 39.21 64.80 3 0 1000.00 -999 ? >ASN.C 43 27.90 46.88 66.41 29.24 45.38 67.08 28.57 46.13 66.75 2 0 1000.00 -999 ? >LYS.C 44 27.22 46.10 61.55 29.66 45.88 56.85 28.44 45.99 59.20 2 0 1000.00 -999 ? >ASP.C 45 27.69 50.67 60.22 26.98 52.50 59.41 27.34 51.58 59.82 2 0 1000.00 -999 ? >ALA.C 46 25.02 49.57 56.54 24.67 48.13 56.19 24.85 48.85 56.37 2 0 1000.00 -999 ? >LYS^C 47 22.84 51.65 54.26 24.95 56.43 54.73 23.90 54.04 54.49 2 0 1000.00 -999 ? >ILE^C 48 18.30 50.19 54.63 17.46 49.30 55.40 17.88 49.75 55.01 3 0 1000.00 -999 ? >ILE^C 49 19.44 51.96 48.95 19.86 53.35 49.02 19.65 52.66 48.99 3 0 1000.00 -999 ? >ASP^C 50 13.85 52.69 49.20 12.76 51.74 50.73 13.30 52.22 49.97 2 0 1000.00 -999 ? >ILE^C 51 15.27 49.79 44.23 16.13 49.13 43.22 15.70 49.46 43.72 3 0 1000.00 -999 ? >SER^C 52 10.98 50.82 44.63 9.40 50.72 42.81 10.19 50.77 43.72 2 0 1000.00 -999 ? >HIS.C 53 9.06 49.51 48.65 10.88 49.07 49.59 9.97 49.29 49.12 3 0 1000.00 -999 ? >GLU.C 54 5.33 52.58 44.29 3.86 52.15 45.76 4.60 52.36 45.03 2 0 1000.00 -999 ? >ILE.C 55 7.19 45.93 41.79 8.09 45.86 40.56 7.64 45.90 41.18 3 0 1000.00 -999 ? >LYS.C 56 2.82 45.81 40.29 3.62 48.67 35.69 3.22 47.24 37.99 2 0 1000.00 -999 ? >PRO.C 57 0.05 44.59 43.37 1.70 43.61 42.21 0.88 44.10 42.79 3 0 1000.00 -999 ? >PHE.C 58 0.95 38.87 42.67 -0.48 39.04 45.09 0.23 38.95 43.88 3 0 1000.00 -999 ? >ASN~C 59 3.90 42.38 37.62 4.24 42.56 35.52 4.07 42.47 36.57 2 0 1000.00 -999 ? >ILE~C 60 8.36 38.21 38.11 8.05 36.82 37.99 8.20 37.52 38.05 3 0 1000.00 -999 ? >TYR~C 61 7.26 39.53 33.22 6.88 36.78 33.02 7.07 38.15 33.12 3 0 1000.00 -999 ? >HIS~C 62 6.69 46.47 37.17 6.53 48.43 37.88 6.61 47.45 37.52 3 0 1000.00 -999 ? >GLY~C 63 10.34 43.84 38.85 10.45 43.73 38.04 10.40 43.78 38.45 1 0 1000.00 -999 ? >ALA~C 64 12.97 42.25 36.63 12.74 41.10 35.66 12.85 41.67 36.15 2 0 1000.00 -999 ? >TYR~C 65 12.26 46.98 32.67 13.13 48.75 30.67 12.69 47.86 31.67 3 0 1000.00 -999 ? >VAL~C 66 13.36 47.79 37.50 12.11 48.72 39.03 12.73 48.26 38.26 3 0 1000.00 -999 ? >LEU~C 67 16.09 44.19 39.34 15.33 43.53 41.27 15.71 43.86 40.30 3 0 1000.00 -999 ? >LEU~C 68 17.44 45.29 34.23 18.44 45.16 32.31 17.94 45.23 33.27 3 0 1000.00 -999 ? >THR~C 69 17.66 49.55 35.52 16.04 50.79 34.79 16.85 50.17 35.15 2 0 1000.00 -999 ? >ALA~C 70 18.86 50.40 39.04 17.90 50.46 40.22 18.38 50.43 39.63 2 0 1000.00 -999 ? >ILE~C 71 20.97 46.25 40.53 20.84 45.07 41.34 20.91 45.66 40.94 3 0 1000.00 -999 ? >PRO~C 72 22.88 46.54 36.36 23.55 47.71 38.13 23.21 47.12 37.25 3 0 1000.00 -999 ? >TYR~C 73 23.55 52.60 37.11 23.06 52.36 34.37 23.31 52.48 35.74 3 0 1000.00 -999 ? >PHE~C 74 23.21 50.29 43.82 20.73 51.38 44.58 21.97 50.84 44.20 3 0 1000.00 -999 ? >PRO.C 75 28.48 50.75 45.71 28.17 49.77 43.72 28.33 50.26 44.72 3 0 1000.00 -999 ? >PRO.C 76 31.27 45.74 43.93 29.28 46.46 44.65 30.28 46.10 44.29 3 0 1000.00 -999 ? >SER.C 77 26.35 45.23 47.46 25.37 47.10 46.28 25.86 46.16 46.87 2 0 1000.00 -999 ? >VAL^C 78 23.28 43.23 48.49 23.24 42.00 50.27 23.26 42.62 49.38 3 0 1000.00 -999 ? >HIS^C 79 21.05 44.57 45.03 22.49 46.08 44.78 21.77 45.33 44.90 3 0 1000.00 -999 ? >VAL^C 80 16.65 41.92 48.23 16.23 41.39 50.31 16.44 41.65 49.27 3 0 1000.00 -999 ? >ALA^C 81 13.82 41.76 45.69 14.22 41.65 44.24 14.02 41.71 44.97 2 0 1000.00 -999 ? >VAL^C 82 10.50 40.33 46.83 10.24 40.06 48.98 10.37 40.19 47.90 3 0 1000.00 -999 ? >ILE.C 83 8.05 40.56 42.84 8.27 41.45 42.66 8.16 41.00 42.75 3 0 1000.00 -999 ? >ASP.C 84 7.26 35.28 44.38 7.26 33.31 43.59 7.26 34.29 43.99 2 0 1000.00 -999 ? >PRO.C 85 3.74 34.72 40.56 3.49 35.37 42.68 3.62 35.05 41.62 3 0 1000.00 -999 ? >THR.C 86 3.36 31.98 44.72 4.27 30.17 44.02 3.81 31.07 44.37 2 0 1000.00 -999 ? >SER^C 93 14.50 30.81 47.31 12.76 31.14 48.95 13.63 30.98 48.13 2 0 1000.00 -999 ? >ILE^C 94 18.31 31.41 44.83 17.78 31.12 43.47 18.04 31.27 44.15 3 0 1000.00 -999 ? >VAL^C 95 21.12 33.88 46.75 22.14 34.21 48.67 21.63 34.04 47.71 3 0 1000.00 -999 ? >ILE^C 96 22.19 35.35 42.26 21.63 35.34 40.96 21.91 35.35 41.61 3 0 1000.00 -999 ? >GLU^C 97 28.54 35.67 45.45 30.43 34.75 45.73 29.48 35.21 45.59 2 0 1000.00 -999 ? >THR^C 98 27.90 37.90 41.21 27.05 39.77 40.49 27.48 38.84 40.85 2 0 1000.00 -999 ? >SER.C 100 32.17 41.24 41.27 32.73 42.71 39.44 32.45 41.98 40.35 2 0 1000.00 -999 ? >GLY.C 101 30.61 40.38 44.59 30.13 40.66 44.08 30.37 40.52 44.33 1 0 1000.00 -999 ? >TYR.C 102 26.81 43.33 42.57 27.80 45.68 41.45 27.30 44.51 42.01 3 0 1000.00 -999 ? >TYR^C 103 25.86 38.34 47.88 28.20 36.92 48.43 27.03 37.63 48.15 3 0 1000.00 -999 ? >LEU^C 104 20.60 38.65 43.35 21.57 39.86 41.86 21.08 39.26 42.61 3 0 1000.00 -999 ? >VAL^C 105 18.37 37.65 47.33 18.97 37.61 49.43 18.67 37.63 48.38 3 0 1000.00 -999 ? >GLY^C 106 14.86 36.61 46.51 15.36 35.96 46.33 15.11 36.28 46.42 1 0 1000.00 -999 ? >PRO^C 107 11.25 35.90 44.37 12.90 34.60 45.10 12.07 35.25 44.73 3 0 1000.00 -999 ? >ASP.C 108 14.68 30.35 42.50 15.07 29.06 40.85 14.88 29.71 41.67 2 0 1000.00 -999 ? >ASN.C 109 9.94 32.94 40.36 10.09 34.99 40.99 10.02 33.97 40.67 2 0 1000.00 -999 ? >GLY.C 110 13.07 34.57 37.03 12.96 34.91 37.75 13.02 34.74 37.39 1 0 1000.00 -999 ? >LEU.C 111 12.53 37.94 40.42 12.22 39.96 41.12 12.37 38.95 40.77 3 0 1000.00 -999 ? >PHE~C 112 17.33 38.41 41.27 16.84 39.45 43.82 17.09 38.93 42.55 3 0 1000.00 -999 ? >THR~C 113 16.98 37.17 35.20 15.75 36.03 33.84 16.36 36.60 34.52 2 0 1000.00 -999 ? >TYR~C 114 15.98 41.21 32.53 13.48 40.52 31.44 14.73 40.87 31.99 3 0 1000.00 -999 ? >VAL~C 115 20.22 41.72 36.47 19.93 41.73 38.64 20.08 41.72 37.55 3 0 1000.00 -999 ? >ALA~C 116 21.89 38.34 36.95 21.13 37.02 37.14 21.51 37.68 37.05 2 0 1000.00 -999 ? >GLU~C 117 21.24 36.88 32.22 19.84 36.90 30.62 20.54 36.89 31.42 2 0 1000.00 -999 ? >LYS~C 118 24.37 41.76 33.31 24.20 45.35 29.37 24.29 43.55 31.34 2 0 1000.00 -999 ? >LEU~C 119 25.80 41.30 37.89 25.28 43.16 38.86 25.54 42.23 38.37 3 0 1000.00 -999 ? >GLY~C 120 27.40 37.70 35.60 26.98 37.90 36.31 27.19 37.80 35.96 1 0 1000.00 -999 ? >ILE^C 121 25.63 33.63 37.58 24.35 33.02 37.82 24.99 33.33 37.70 3 0 1000.00 -999 ? >ARG^C 123 29.73 30.97 45.03 28.80 30.70 47.94 29.27 30.83 46.49 2 0 1000.00 -999 ? >ILE^C 124 22.63 29.83 41.83 21.73 29.98 40.78 22.18 29.90 41.30 3 0 1000.00 -999 ? >ILE^C 125 23.76 29.77 47.64 24.61 29.85 47.53 24.18 29.81 47.58 3 0 1000.00 -999 ? >ILE.C 127 17.47 30.18 50.82 17.27 31.58 51.24 17.37 30.88 51.03 3 0 1000.00 -999 ? >GLU.C 129 12.45 26.81 53.31 12.26 28.91 53.18 12.36 27.86 53.24 2 0 1000.00 -999 ? >GLU.C 130 18.26 28.05 57.99 20.30 27.65 57.66 19.28 27.85 57.83 2 0 1000.00 -999 ? >ARG.C 131 16.51 31.18 57.26 19.22 31.26 55.80 17.87 31.22 56.53 2 0 1000.00 -999 ? >GLY~C 140 8.84 34.80 53.44 8.48 35.44 53.83 8.66 35.12 53.64 1 0 1000.00 -999 ? >ASP~C 142 10.89 37.25 58.32 10.74 35.15 58.23 10.82 36.20 58.27 2 0 1000.00 -999 ? >VAL~C 143 13.50 35.21 55.35 13.21 33.12 54.74 13.36 34.17 55.04 3 0 1000.00 -999 ? >TYR~C 144 13.23 36.94 50.53 12.09 34.90 48.97 12.66 35.92 49.75 3 0 1000.00 -999 ? >ALA~C 145 15.15 40.23 55.08 14.07 40.75 56.00 14.61 40.49 55.54 2 0 1000.00 -999 ? >VAL~C 146 17.11 38.07 57.52 16.52 36.73 59.11 16.82 37.40 58.32 3 0 1000.00 -999 ? >VAL~C 147 19.13 36.47 54.74 18.77 34.81 53.37 18.95 35.64 54.06 3 0 1000.00 -999 ? >GLY~C 148 20.07 39.92 53.48 20.18 39.65 54.26 20.13 39.78 53.87 1 0 1000.00 -999 ? >ALA~C 149 21.26 41.37 56.78 20.40 41.57 58.02 20.83 41.47 57.40 2 0 1000.00 -999 ? >GLU~C 150 23.29 35.59 57.68 22.45 33.71 57.23 22.87 34.65 57.45 2 0 1000.00 -999 ? >ILE~C 151 24.46 38.55 52.73 24.27 38.04 51.39 24.37 38.29 52.06 3 0 1000.00 -999 ? >LEU~C 152 25.03 43.14 55.64 24.43 44.81 54.41 24.73 43.98 55.02 3 0 1000.00 -999 ? >ILE~C 153 26.23 40.12 59.73 25.53 40.05 60.89 25.88 40.09 60.31 3 0 1000.00 -999 ? >ASN~C 154 28.75 36.51 57.06 27.84 35.81 58.85 28.29 36.16 57.95 2 0 1000.00 -999 ? >ASN~C 155 31.46 40.25 54.15 31.83 41.93 52.89 31.64 41.09 53.52 2 0 1000.00 -999 ? >GLY.C 156 29.01 36.61 51.95 28.51 36.67 52.62 28.76 36.64 52.28 1 0 1000.00 -999 ? >TYR.C 157 24.36 33.09 51.81 22.13 32.03 53.15 23.25 32.56 52.48 3 0 1000.00 -999 ? >ASP.C 158 28.24 29.18 52.85 30.10 30.15 52.49 29.17 29.67 52.67 2 0 1000.00 -999 ? >GLY.C 159 24.87 26.70 51.25 25.45 26.72 50.64 25.16 26.71 50.95 1 0 1000.00 -999 ? >LEU^C 162 21.00 25.95 42.69 19.25 25.48 41.49 20.13 25.71 42.09 3 0 1000.00 -999 ? >ASP.C 163 23.06 23.30 38.18 24.51 21.91 38.78 23.78 22.61 38.48 2 0 1000.00 -999 ? >GLU.C 164 21.36 25.37 35.04 22.91 26.67 34.40 22.14 26.02 34.72 2 0 1000.00 -999 ? >MET?C 165 17.79 29.10 37.97 19.32 33.11 37.83 18.55 31.11 37.90 2 0 1000.00 -999 ? >VAL.C 166 14.46 29.94 36.39 12.44 29.60 37.14 13.45 29.77 36.77 3 0 1000.00 -999 ? >LYS.C 167 14.96 32.50 33.61 20.62 33.03 31.66 17.79 32.76 32.63 2 0 1000.00 -999 ? >ILE.C 168 12.28 36.25 31.99 11.43 37.36 32.45 11.86 36.80 32.22 3 0 1000.00 -999 ? >ASP.C 169 11.63 32.66 27.48 12.09 32.23 25.48 11.86 32.44 26.48 2 0 1000.00 -999 ? >GLU.C 170 15.64 37.29 28.37 17.54 37.93 29.10 16.59 37.61 28.74 2 0 1000.00 -999 ? >THR.C 171 14.32 34.82 22.89 15.00 32.78 23.17 14.66 33.80 23.03 2 0 1000.00 -999 ? >LYS.C 172 10.55 35.13 22.78 5.56 31.89 24.87 8.05 33.51 23.82 2 0 1000.00 -999 ? >LYS.C 173 9.90 38.64 21.42 14.41 39.15 21.60 12.15 38.89 21.51 2 0 1000.00 -999 ? >ARG.C 174 7.05 37.28 26.01 7.82 35.41 28.34 7.44 36.34 27.17 2 0 1000.00 -999 ? >VAL^C 175 6.32 43.13 25.85 4.58 44.39 25.81 5.45 43.76 25.83 3 0 1000.00 -999 ? >ILE^C 176 10.34 44.30 28.44 11.80 44.54 28.86 11.07 44.42 28.65 3 0 1000.00 -999 ? >HIS^C 177 8.51 47.95 32.17 8.03 49.29 33.71 8.27 48.62 32.94 3 0 1000.00 -999 ? >ILE^C 178 3.51 48.87 30.50 2.21 48.70 29.84 2.86 48.78 30.17 3 0 1000.00 -999 ? >ASP.C 179 6.39 53.79 30.07 8.22 54.84 30.19 7.30 54.32 30.13 2 0 1000.00 -999 ? >ARG.C 180 6.37 58.06 35.26 5.82 60.32 37.24 6.09 59.19 36.25 2 0 1000.00 -999 ? >PHE.C 181 5.29 58.82 30.42 6.72 60.89 31.62 6.01 59.85 31.02 3 0 1000.00 -999 ? >GLY.C 182 2.04 53.94 28.96 2.83 54.12 28.78 2.43 54.03 28.87 1 0 1000.00 -999 ? >ASN.C 183 6.30 54.00 26.64 6.16 56.07 26.18 6.23 55.04 26.41 2 0 1000.00 -999 ? >ILE^C 184 4.44 49.19 24.29 3.38 48.58 23.73 3.91 48.88 24.01 3 0 1000.00 -999 ? >ILE^C 185 9.58 48.59 27.44 9.68 49.38 27.74 9.63 48.99 27.59 3 0 1000.00 -999 ? >THR^C 186 9.72 45.35 24.08 9.67 44.91 21.95 9.69 45.13 23.01 2 0 1000.00 -999 ? >ASN^C 187 11.88 40.97 24.10 11.14 39.94 25.79 11.51 40.45 24.95 2 0 1000.00 -999 ? >ILE^C 188 13.24 43.99 19.87 12.62 43.89 18.68 12.93 43.94 19.28 3 0 1000.00 -999 ? >ASP.C 191 21.20 43.56 17.97 22.51 44.59 19.29 21.85 44.08 18.63 2 0 1000.00 -999 ? >PHE.C 195 13.88 48.26 11.35 12.78 48.05 13.94 13.33 48.16 12.65 3 0 1000.00 -999 ? >ASP.C 199 12.39 52.71 8.00 14.33 52.89 7.19 13.36 52.80 7.60 2 0 1000.00 -999 ? >THR^C 200 8.11 52.82 8.64 6.36 53.79 7.84 7.24 53.31 8.24 2 0 1000.00 -999 ? >ILE^C 201 8.81 49.32 11.89 9.67 49.37 11.91 9.24 49.35 11.90 3 0 1000.00 -999 ? >ILE^C 203 4.66 46.73 15.35 5.51 47.14 16.38 5.08 46.94 15.87 3 0 1000.00 -999 ? >ILE^C 205 0.68 43.65 19.32 1.14 44.62 20.33 0.91 44.14 19.82 3 0 1000.00 -999 ? >HIS.C 207 -3.88 41.73 22.42 -3.68 43.67 21.65 -3.78 42.70 22.03 3 0 1000.00 -999 ? >ASN.C 209 -7.93 37.94 24.21 -7.24 39.41 22.80 -7.58 38.68 23.50 2 0 1000.00 -999 ? >GLY.C 210 -5.86 35.79 20.79 -5.92 36.59 20.88 -5.89 36.19 20.84 1 0 1000.00 -999 ? >ILE.C 211 -7.64 40.07 19.26 -8.87 40.85 19.19 -8.26 40.46 19.22 3 0 1000.00 -999 ? >GLU^C 212 -3.36 38.24 15.80 -1.75 37.26 14.81 -2.55 37.75 15.30 2 0 1000.00 -999 ? >LYS^C 213 -3.27 44.22 16.17 -6.76 46.81 20.86 -5.02 45.52 18.51 2 0 1000.00 -999 ? >ILE^C 214 -1.28 45.10 11.98 -0.78 44.12 10.96 -1.03 44.61 11.47 3 0 1000.00 -999 ? >ILE^C 215 0.29 49.82 15.13 0.68 49.72 16.49 0.48 49.77 15.81 3 0 1000.00 -999 ? >CYH^C 217 5.41 52.99 13.44 4.84 51.90 15.93 5.13 52.44 14.68 2 0 1000.00 -999 ? >LYS^C 218 7.99 55.60 12.62 7.30 61.55 10.42 7.64 58.58 11.52 2 0 1000.00 -999 ? >PHE^C 219 13.48 53.05 14.02 15.74 52.39 15.53 14.61 52.72 14.78 3 0 1000.00 -999 ? >VAL.C 220 12.86 57.67 15.37 11.01 58.60 15.99 11.93 58.14 15.68 3 0 1000.00 -999 ? >SER.C 222 13.44 60.96 20.30 13.16 63.12 19.26 13.30 62.04 19.78 2 0 1000.00 -999 ? >TYR.C 223 9.98 59.84 24.00 10.76 57.55 25.41 10.37 58.69 24.71 3 0 1000.00 -999 ? >PHE.C 224 10.23 65.92 22.04 10.65 66.07 24.82 10.44 66.00 23.43 3 0 1000.00 -999 ? >GLU.C 225 12.20 63.65 16.51 13.93 62.62 15.83 13.07 63.13 16.17 2 0 1000.00 -999 ? >LYS.C 227 4.01 63.72 17.03 5.85 69.52 18.32 4.93 66.62 17.68 2 0 1000.00 -999 ? >ASN.C 228 1.02 62.94 13.35 1.53 64.99 13.07 1.27 63.96 13.21 2 0 1000.00 -999 ? >PHE^C 230 0.88 54.38 17.40 -1.59 54.30 18.72 -0.36 54.34 18.06 3 0 1000.00 -999 ? >ILE^C 231 7.29 57.22 17.51 7.35 58.50 18.11 7.32 57.86 17.81 3 0 1000.00 -999 ? >CYH^C 232 9.12 53.33 18.21 9.62 51.74 15.92 9.37 52.53 17.07 2 0 1000.00 -999 ? >LEU^C 233 12.72 55.39 19.89 11.56 56.30 21.48 12.14 55.85 20.69 3 0 1000.00 -999 ? >ILE^C 234 17.00 52.42 21.01 17.06 51.84 20.43 17.03 52.13 20.72 3 0 1000.00 -999 ? >ASN.C 235 13.93 53.10 26.06 14.05 51.06 26.63 13.99 52.08 26.34 2 0 1000.00 -999 ? >SER.C 236 17.72 54.36 27.75 16.24 55.04 29.53 16.98 54.70 28.64 2 0 1000.00 -999 ? >GLU.C 237 16.71 50.15 30.76 15.91 52.03 31.31 16.31 51.09 31.04 2 0 1000.00 -999 ? >GLY.C 238 18.63 49.64 24.90 17.90 49.56 25.20 18.26 49.60 25.05 1 0 1000.00 -999 ? >PHE^C 239 15.05 46.72 26.14 16.37 44.88 27.80 15.71 45.80 26.97 3 0 1000.00 -999 ? >LEU^C 240 12.51 48.05 20.03 11.68 48.60 18.11 12.09 48.33 19.07 3 0 1000.00 -999 ? >GLU^C 241 9.27 52.48 24.70 9.98 53.98 26.03 9.62 53.23 25.37 2 0 1000.00 -999 ? >ILE^C 242 5.40 50.92 20.93 4.68 50.06 20.00 5.04 50.49 20.46 3 0 1000.00 -999 ? >SER^C 243 5.18 55.41 22.21 5.83 57.47 23.36 5.50 56.44 22.79 2 0 1000.00 -999 ? >LYS.C 244 2.57 58.00 21.28 -0.23 60.41 18.33 1.17 59.21 19.81 2 0 1000.00 -999 ? >PHE.C 245 3.97 64.05 21.24 4.81 66.57 22.16 4.39 65.31 21.70 3 0 1000.00 -999 ? >MET?C 246 1.60 62.96 25.00 3.18 65.60 26.35 2.39 64.28 25.68 2 0 1000.00 -999 ? >ASP.C 247 -1.25 59.61 23.77 -3.36 59.36 24.02 -2.31 59.48 23.90 2 0 1000.00 -999 ? >ASN~C 248 -1.61 56.01 27.72 -1.15 54.25 28.81 -1.38 55.13 28.26 2 0 1000.00 -999 ? >ALA~C 249 0.31 53.76 23.92 1.71 53.49 23.38 1.01 53.62 23.65 2 0 1000.00 -999 ? >SER~C 250 -0.55 50.76 26.10 -0.66 51.04 28.52 -0.61 50.90 27.31 2 0 1000.00 -999 ? >LYS~C 251 -4.11 51.94 26.77 -5.81 54.38 32.41 -4.96 53.16 29.59 2 0 1000.00 -999 ? >LEU~C 252 -3.95 54.07 22.41 -4.31 56.20 22.42 -4.13 55.13 22.42 3 0 1000.00 -999 ? >LEU~C 253 -2.32 49.40 21.23 -1.46 50.44 19.56 -1.89 49.92 20.39 3 0 1000.00 -999 ? >ASN~C 254 -6.20 47.20 24.42 -7.25 46.49 26.13 -6.72 46.84 25.27 2 0 1000.00 -999 ? >VAL.C 255 -1.46 46.17 25.25 0.22 46.23 23.89 -0.62 46.20 24.57 3 0 1000.00 -999 ? >ASP.C 256 -1.57 43.26 28.90 -1.51 43.06 31.02 -1.54 43.16 29.96 2 0 1000.00 -999 ? >TYR.C 257 3.66 43.42 31.96 4.95 45.52 33.30 4.31 44.47 32.63 3 0 1000.00 -999 ? >LEU.C 258 3.42 38.41 28.69 4.76 37.74 30.26 4.09 38.07 29.48 3 0 1000.00 -999 ? >ASP.C 259 1.08 41.59 24.19 -0.87 41.62 25.04 0.10 41.61 24.62 2 0 1000.00 -999 ? >GLU^C 260 3.06 36.37 21.98 2.38 34.52 21.19 2.72 35.44 21.59 2 0 1000.00 -999 ? >ILE^C 261 6.40 42.23 19.95 5.64 43.45 19.78 6.02 42.84 19.86 3 0 1000.00 -999 ? >GLU^C 262 6.03 38.84 13.87 4.73 37.31 13.22 5.38 38.07 13.55 2 0 1000.00 -999 ? >ILE^C 263 9.42 43.79 13.72 10.21 44.89 14.13 9.82 44.34 13.93 3 0 1000.00 -999 ? >GLU^C 264 5.20 42.58 10.02 3.51 41.32 9.75 4.36 41.95 9.88 2 0 1000.00 -999 ?