REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-FEB-06 2G6T COMPND UNCHARACTERIZED PROTEIN, HOMOLOG HI1244 FROM COMPND 3 HAEMOPHILUS INFLUENZAE; COMPND 4 CHAIN: A, B; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; SOURCE 3 ORGANISM_TAXID: 1488; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 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 1 8 HET MSE A 153 8 HET MSE A 174 8 HET MSE A 219 8 HET MSE A 248 8 HET MSE A 280 8 HET MSE A 282 8 HET MSE A 294 8 HET MSE B 1 8 HET MSE B 153 8 HET MSE B 174 8 HET MSE B 219 8 HET MSE B 248 8 HET MSE B 280 8 HET MSE B 282 8 HET MSE B 294 8 >MET?A 1 -16.34 71.76 115.27 -18.05 75.40 115.22 -17.20 73.58 115.24 2 0 1000.00 -999 ? >TYR^A 2 -17.25 69.20 118.58 -15.53 67.35 117.41 -16.39 68.28 117.99 3 0 1000.00 -999 ? >LYS^A 3 -21.41 72.79 120.36 -25.48 73.64 116.88 -23.44 73.21 118.62 2 0 1000.00 -999 ? >CYH^A 4 -20.99 72.38 124.09 -18.48 71.50 123.29 -19.73 71.94 123.69 2 0 1000.00 -999 ? >LEU^A 5 -23.82 72.13 127.83 -25.85 72.50 127.25 -24.83 72.31 127.54 3 0 1000.00 -999 ? >ILE^A 6 -19.62 74.84 130.57 -18.26 75.41 130.56 -18.94 75.13 130.57 3 0 1000.00 -999 ? >TRP^A 7 -22.99 70.87 136.26 -25.66 68.18 135.24 -24.33 69.52 135.75 3 0 1000.00 -999 ? >GLY.A 8 -19.74 74.03 136.59 -19.91 74.46 135.91 -19.83 74.24 136.25 1 0 1000.00 -999 ? >VAL.A 9 -18.83 77.72 136.67 -20.77 78.40 135.98 -19.80 78.06 136.32 3 0 1000.00 -999 ? >ASN~A 10 -16.54 77.43 140.79 -18.16 78.19 141.91 -17.35 77.81 141.35 2 0 1000.00 -999 ? >ASP~A 11 -11.94 77.26 141.29 -12.10 78.44 143.03 -12.02 77.85 142.16 2 0 1000.00 -999 ? >GLU~A 12 -11.73 72.95 138.48 -10.53 71.48 137.54 -11.13 72.21 138.01 2 0 1000.00 -999 ? >TYR~A 13 -16.16 78.41 134.21 -17.10 80.14 132.22 -16.63 79.28 133.21 3 0 1000.00 -999 ? >THR~A 14 -12.53 80.55 135.25 -12.68 81.57 137.16 -12.61 81.06 136.21 2 0 1000.00 -999 ? >LEU~A 15 -8.81 77.76 136.62 -6.83 77.12 137.17 -7.82 77.44 136.90 3 0 1000.00 -999 ? >ALA~A 16 -9.81 77.04 132.23 -10.59 75.75 132.15 -10.20 76.39 132.19 2 0 1000.00 -999 ? >TYR~A 17 -12.72 82.21 130.56 -14.51 83.58 128.91 -13.61 82.89 129.74 3 0 1000.00 -999 ? >ASP~A 18 -7.06 81.83 129.09 -7.09 83.85 129.79 -7.08 82.84 129.44 2 0 1000.00 -999 ? >LYS~A 19 -8.01 77.87 127.11 -3.98 73.32 128.46 -5.99 75.60 127.78 2 0 1000.00 -999 ? >LEU~A 20 -12.82 78.12 127.29 -13.58 76.37 128.34 -13.20 77.24 127.82 3 0 1000.00 -999 ? >LEU~A 21 -10.81 82.50 125.05 -11.77 84.15 126.04 -11.29 83.32 125.54 3 0 1000.00 -999 ? >PHE~A 22 -6.04 78.95 122.26 -4.06 78.16 120.45 -5.05 78.56 121.35 3 0 1000.00 -999 ? >GLU~A 23 -9.67 74.86 123.28 -8.31 74.03 121.89 -8.99 74.44 122.58 2 0 1000.00 -999 ? >ILE~A 24 -13.99 79.77 121.25 -15.05 80.19 121.89 -14.52 79.98 121.57 3 0 1000.00 -999 ? >SER~A 25 -10.82 81.12 118.52 -8.51 81.04 119.27 -9.67 81.08 118.90 2 0 1000.00 -999 ? >LYS~A 26 -9.49 78.04 116.75 -6.01 74.47 120.08 -7.75 76.25 118.42 2 0 1000.00 -999 ? >GLY.A 27 -13.09 77.21 115.94 -12.61 76.73 116.41 -12.85 76.97 116.17 1 0 1000.00 -999 ? >ASN.A 28 -11.91 73.42 118.60 -10.21 73.22 117.37 -11.06 73.32 117.99 2 0 1000.00 -999 ? >LEU^A 29 -15.89 73.86 121.22 -15.20 74.37 123.21 -15.54 74.11 122.22 3 0 1000.00 -999 ? >SER^A 30 -18.75 77.11 121.12 -20.71 76.64 119.76 -19.73 76.87 120.44 2 0 1000.00 -999 ? >ILE^A 31 -19.85 78.21 125.67 -19.14 77.97 125.99 -19.50 78.09 125.83 3 0 1000.00 -999 ? >GLU^A 32 -24.50 75.32 122.58 -24.43 76.81 121.08 -24.47 76.06 121.83 2 0 1000.00 -999 ? >ALA^A 33 -25.14 77.53 127.92 -26.59 77.12 128.07 -25.86 77.33 128.00 2 0 1000.00 -999 ? >LEU^A 34 -23.13 78.19 132.06 -21.45 79.27 131.26 -22.29 78.73 131.66 3 0 1000.00 -999 ? >ILE^A 35 -25.31 72.93 133.60 -25.55 71.89 133.06 -25.43 72.41 133.33 3 0 1000.00 -999 ? >SER.A 36 -25.09 75.31 137.58 -24.04 76.97 139.01 -24.57 76.14 138.30 2 0 1000.00 -999 ? >LYS.A 37 -26.72 74.12 140.79 -28.30 71.65 145.35 -27.51 72.88 143.07 2 0 1000.00 -999 ? >ASP.A 38 -25.44 77.87 143.52 -24.37 76.19 144.20 -24.91 77.03 143.86 2 0 1000.00 -999 ? >LYS.A 39 -27.29 80.53 140.26 -29.45 76.99 137.79 -28.37 78.76 139.02 2 0 1000.00 -999 ? >TYR.A 40 -22.64 81.67 141.01 -21.70 79.26 142.05 -22.17 80.46 141.53 3 0 1000.00 -999 ? >ALA.A 41 -25.93 85.33 137.84 -24.75 86.05 137.22 -25.34 85.69 137.53 2 0 1000.00 -999 ? >LYS.A 42 -28.39 85.03 134.99 -30.23 87.74 138.51 -29.31 86.38 136.75 2 0 1000.00 -999 ? >TYR.A 43 -27.15 86.64 130.95 -29.64 86.61 129.68 -28.40 86.62 130.31 3 0 1000.00 -999 ? >ILE.A 44 -21.52 83.07 133.61 -21.07 83.41 135.01 -21.30 83.24 134.31 3 0 1000.00 -999 ? >ASP.A 45 -18.40 84.60 130.14 -17.08 84.59 131.78 -17.74 84.60 130.96 2 0 1000.00 -999 ? >GLY.A 46 -22.43 86.38 127.98 -22.29 85.70 128.37 -22.36 86.04 128.18 1 0 1000.00 -999 ? >LYS.A 47 -24.02 82.96 128.45 -22.50 81.77 123.49 -23.26 82.36 125.97 2 0 1000.00 -999 ? >GLU.A 48 -29.73 81.24 130.10 -31.56 81.54 129.11 -30.64 81.39 129.61 2 0 1000.00 -999 ? >VAL^A 49 -27.01 79.99 133.24 -25.97 80.43 135.09 -26.49 80.21 134.17 3 0 1000.00 -999 ? >ILE^A 50 -30.04 76.63 131.77 -28.84 76.57 130.89 -29.44 76.60 131.33 3 0 1000.00 -999 ? >ASP~A 51 -31.86 74.23 136.04 -31.62 73.58 138.02 -31.74 73.91 137.03 2 0 1000.00 -999 ? >LYS~A 52 -29.98 70.45 134.49 -29.93 66.12 138.74 -29.95 68.29 136.61 2 0 1000.00 -999 ? >THR~A 53 -33.72 70.39 133.93 -34.57 71.31 135.66 -34.15 70.85 134.79 2 0 1000.00 -999 ? >GLU~A 54 -32.75 75.00 132.19 -33.64 76.51 133.39 -33.20 75.75 132.79 2 0 1000.00 -999 ? >ILE~A 55 -29.82 69.96 129.85 -28.53 69.41 130.27 -29.17 69.68 130.06 3 0 1000.00 -999 ? >SER~A 56 -33.08 69.35 126.98 -35.14 69.43 128.24 -34.11 69.39 127.61 2 0 1000.00 -999 ? >ASN~A 57 -34.14 74.03 126.42 -35.74 73.58 127.76 -34.94 73.81 127.09 2 0 1000.00 -999 ? >TYR~A 58 -29.59 74.65 125.44 -30.30 76.95 126.86 -29.94 75.80 126.15 3 0 1000.00 -999 ? >PHE.A 60 -25.66 69.21 124.27 -26.76 67.23 125.90 -26.21 68.22 125.08 3 0 1000.00 -999 ? >ASP.A 61 -21.10 68.04 120.21 -21.86 68.46 118.29 -21.48 68.25 119.25 2 0 1000.00 -999 ? >TYR^A 62 -18.59 66.55 123.52 -17.61 64.93 121.47 -18.10 65.74 122.50 3 0 1000.00 -999 ? >ILE^A 63 -22.01 67.68 129.29 -23.22 68.53 129.77 -22.61 68.10 129.53 3 0 1000.00 -999 ? >ILE^A 64 -16.92 70.53 128.99 -15.94 70.90 128.09 -16.43 70.71 128.54 3 0 1000.00 -999 ? >ILE^A 65 -18.13 67.98 134.32 -18.83 67.24 134.58 -18.48 67.61 134.45 3 0 1000.00 -999 ? >PHE.A 66 -14.63 73.18 133.53 -13.29 73.31 131.10 -13.96 73.24 132.32 3 0 1000.00 -999 ? >ASN.A 67 -16.96 70.03 139.24 -17.33 69.77 141.32 -17.14 69.90 140.28 2 0 1000.00 -999 ? >GLU.A 69 -13.09 68.19 144.55 -14.19 69.64 143.45 -13.64 68.92 144.00 2 0 1000.00 -999 ? >TYR~A 71 -15.85 64.33 136.69 -16.17 63.23 134.14 -16.01 63.78 135.41 3 0 1000.00 -999 ? >SER~A 72 -18.22 61.65 139.28 -16.26 60.49 140.05 -17.24 61.07 139.67 2 0 1000.00 -999 ? >ASP~A 73 -21.54 63.48 142.26 -20.82 62.30 143.82 -21.18 62.89 143.04 2 0 1000.00 -999 ? >ILE~A 74 -21.42 66.49 137.82 -21.23 67.91 137.83 -21.33 67.20 137.83 3 0 1000.00 -999 ? >LYS~A 75 -21.48 62.61 135.59 -19.10 59.36 132.00 -20.29 60.98 133.80 2 0 1000.00 -999 ? >ASN~A 76 -24.23 60.13 138.77 -22.63 58.84 139.31 -23.43 59.48 139.04 2 0 1000.00 -999 ? >GLU~A 77 -26.46 64.73 139.40 -26.08 66.64 140.18 -26.27 65.69 139.79 2 0 1000.00 -999 ? >ALA~A 78 -25.81 63.60 133.63 -24.40 63.68 133.09 -25.10 63.64 133.36 2 0 1000.00 -999 ? >LEU~A 79 -25.61 58.77 133.60 -23.72 58.06 132.81 -24.66 58.42 133.20 3 0 1000.00 -999 ? >LEU~A 81 -30.15 64.11 132.81 -31.18 65.85 133.56 -30.66 64.98 133.19 3 0 1000.00 -999 ? >GLY.A 82 -30.67 60.39 129.91 -30.03 60.85 130.06 -30.35 60.62 129.98 1 0 1000.00 -999 ? >ILE.A 83 -26.74 63.07 129.01 -26.40 64.46 128.95 -26.57 63.77 128.98 3 0 1000.00 -999 ? >PRO~A 84 -25.74 60.02 124.90 -25.72 59.66 127.09 -25.73 59.84 125.99 3 0 1000.00 -999 ? >GLU~A 85 -19.76 57.69 129.53 -18.94 55.85 130.13 -19.35 56.77 129.83 2 0 1000.00 -999 ? >ARG~A 86 -21.27 58.86 121.51 -21.36 61.72 120.50 -21.32 60.29 121.01 2 0 1000.00 -999 ? >LYS.A 87 -21.06 63.12 125.47 -26.08 64.76 122.67 -23.57 63.94 124.07 2 0 1000.00 -999 ? >ILE^A 88 -20.18 62.89 130.17 -21.52 63.49 130.69 -20.85 63.19 130.43 3 0 1000.00 -999 ? >LEU^A 89 -15.57 65.93 127.93 -15.56 65.24 125.88 -15.57 65.58 126.91 3 0 1000.00 -999 ? >ASN.A 90 -12.83 64.82 132.73 -12.65 64.85 134.87 -12.74 64.83 133.80 2 0 1000.00 -999 ? >GLY~A 91 -12.84 69.25 131.38 -12.38 68.71 131.67 -12.61 68.98 131.52 1 0 1000.00 -999 ? >LYS~A 92 -9.85 68.94 133.67 -9.09 63.55 136.80 -9.47 66.25 135.24 2 0 1000.00 -999 ? >PHE~A 93 -8.69 64.91 130.71 -8.85 62.72 132.43 -8.77 63.82 131.57 3 0 1000.00 -999 ? >PHE~A 94 -10.24 72.11 128.40 -12.09 72.50 126.33 -11.17 72.30 127.37 3 0 1000.00 -999 ? >PHE~A 95 -6.57 72.50 133.43 -8.79 74.07 134.13 -7.68 73.28 133.78 3 0 1000.00 -999 ? >ILE~A 96 -3.64 67.91 128.72 -3.56 67.22 129.08 -3.60 67.57 128.90 3 0 1000.00 -999 ? >SER.A 97 0.19 70.43 128.16 2.47 70.31 127.43 1.33 70.37 127.80 2 0 1000.00 -999 ? >ASN.A 98 0.45 70.53 123.38 2.11 71.82 123.28 1.28 71.18 123.33 2 0 1000.00 -999 ? >PHE.A 99 -6.56 70.64 125.61 -9.20 69.74 125.45 -7.88 70.19 125.53 3 0 1000.00 -999 ? >ASP~A 100 -5.64 70.79 120.17 -6.75 71.21 118.44 -6.19 71.00 119.31 2 0 1000.00 -999 ? >PHE~A 101 -12.56 70.57 122.16 -14.96 69.43 123.01 -13.76 70.00 122.59 3 0 1000.00 -999 ? >LYS~A 102 -10.38 68.90 117.99 -9.93 70.07 111.83 -10.15 69.49 114.91 2 0 1000.00 -999 ? >ARG~A 103 -3.94 67.39 117.48 -2.85 70.22 117.04 -3.40 68.80 117.26 2 0 1000.00 -999 ? >TYR~A 104 -9.40 65.62 124.24 -9.98 64.27 126.61 -9.69 64.94 125.43 3 0 1000.00 -999 ? >CYH~A 105 -12.30 64.66 120.44 -13.98 66.64 121.39 -13.14 65.65 120.91 2 0 1000.00 -999 ? >LYS~A 106 -10.93 62.98 117.32 -6.19 62.57 113.19 -8.56 62.77 115.25 2 0 1000.00 -999 ? >LEU~A 107 -8.07 60.65 120.42 -6.06 61.16 119.88 -7.07 60.91 120.15 3 0 1000.00 -999 ? >ILE~A 108 -13.11 61.02 122.26 -13.68 61.44 123.56 -13.40 61.23 122.91 3 0 1000.00 -999 ? >GLU~A 109 -16.18 61.86 118.35 -17.62 60.88 119.58 -16.90 61.37 118.96 2 0 1000.00 -999 ? >ASN~A 110 -11.92 57.75 115.30 -11.07 56.19 114.12 -11.50 56.97 114.71 2 0 1000.00 -999 ? >PRO.A 111 -13.50 54.92 120.06 -11.66 55.77 119.18 -12.58 55.34 119.62 3 0 1000.00 -999 ? >ILE.A 112 -6.44 56.23 120.21 -5.71 57.44 120.22 -6.07 56.83 120.21 3 0 1000.00 -999 ? >THR^A 113 -6.55 51.73 120.46 -6.99 50.05 119.19 -6.77 50.89 119.83 2 0 1000.00 -999 ? >ILE^A 114 -2.41 52.78 122.74 -1.70 53.92 123.30 -2.05 53.35 123.02 3 0 1000.00 -999 ? >ILE^A 115 -0.56 48.21 119.99 -0.97 47.15 119.14 -0.77 47.68 119.57 3 0 1000.00 -999 ? >SER^A 116 2.61 48.94 123.43 2.01 49.78 125.66 2.31 49.36 124.55 2 0 1000.00 -999 ? >ASP.A 117 6.73 46.49 123.96 7.65 48.41 123.81 7.19 47.45 123.88 2 0 1000.00 -999 ? >ASP.A 118 6.31 48.82 128.51 6.54 50.57 127.34 6.42 49.69 127.92 2 0 1000.00 -999 ? >CYH~A 119 2.66 49.97 130.24 3.08 48.65 132.68 2.87 49.31 131.46 2 0 1000.00 -999 ? >TRP~A 120 4.85 55.72 127.07 2.75 56.63 123.86 3.80 56.17 125.46 3 0 1000.00 -999 ? >GLY~A 121 -0.20 52.82 126.42 -0.04 52.84 127.20 -0.12 52.83 126.81 1 0 1000.00 -999 ? >GLY~A 122 -2.15 52.30 129.61 -1.62 52.92 129.40 -1.89 52.61 129.51 1 0 1000.00 -999 ? >LEU~A 123 0.94 55.55 131.40 2.07 54.66 133.02 1.50 55.11 132.21 3 0 1000.00 -999 ? >VAL~A 124 -1.17 57.60 128.18 -0.12 57.86 126.31 -0.65 57.73 127.24 3 0 1000.00 -999 ? >SER~A 125 -4.81 56.51 128.11 -5.41 54.69 126.65 -5.11 55.60 127.38 2 0 1000.00 -999 ? >SER~A 126 -5.17 57.52 131.76 -4.67 55.51 132.98 -4.92 56.51 132.37 2 0 1000.00 -999 ? >TYR~A 127 -1.52 62.41 130.56 -0.51 64.99 130.17 -1.01 63.70 130.36 3 0 1000.00 -999 ? >LEU~A 128 -5.71 61.32 127.23 -4.01 62.04 126.10 -4.86 61.68 126.67 3 0 1000.00 -999 ? >GLY~A 129 -8.85 60.13 130.44 -8.55 59.86 129.72 -8.70 59.99 130.08 1 0 1000.00 -999 ? >PHE.A 130 -8.38 58.76 125.57 -8.09 61.05 123.96 -8.23 59.90 124.76 3 0 1000.00 -999 ? >PHE.A 132 -7.34 50.90 129.75 -5.88 52.22 131.74 -6.61 51.56 130.74 3 0 1000.00 -999 ? >ASN.A 133 -10.18 51.20 123.05 -12.10 51.89 123.60 -11.14 51.54 123.32 2 0 1000.00 -999 ? >SER.A 134 -6.84 47.70 123.94 -4.49 47.67 123.44 -5.67 47.69 123.69 2 0 1000.00 -999 ? >PRO.A 135 -5.25 43.63 123.66 -5.83 45.05 125.26 -5.54 44.34 124.46 3 0 1000.00 -999 ? >PHE.A 136 -1.32 45.46 123.90 -1.52 43.68 121.75 -1.42 44.57 122.82 3 0 1000.00 -999 ? >ILE.A 137 -3.83 47.24 130.32 -3.95 48.71 130.36 -3.89 47.97 130.34 3 0 1000.00 -999 ? >ASN.A 138 -1.17 45.52 133.82 -1.97 47.19 134.86 -1.57 46.36 134.34 2 0 1000.00 -999 ? >PHE^A 139 0.99 42.51 129.13 -0.07 42.66 126.53 0.46 42.58 127.83 3 0 1000.00 -999 ? >TYR^A 140 7.47 43.59 130.44 8.95 41.94 132.14 8.21 42.76 131.29 3 0 1000.00 -999 ? >ILE.A 141 5.92 41.32 124.87 5.52 41.38 123.48 5.72 41.35 124.18 3 0 1000.00 -999 ? >HIS~A 142 11.35 39.76 126.71 10.99 38.89 128.59 11.17 39.32 127.65 3 0 1000.00 -999 ? >ASN~A 143 12.94 44.02 121.68 12.69 46.05 122.26 12.82 45.03 121.97 2 0 1000.00 -999 ? >ASP~A 145 8.55 37.98 122.05 9.42 36.14 122.54 8.98 37.06 122.29 2 0 1000.00 -999 ? >TYR~A 146 6.57 44.24 120.93 4.53 46.16 120.76 5.55 45.20 120.85 3 0 1000.00 -999 ? >ILE~A 147 10.03 42.67 116.27 10.08 42.99 115.50 10.05 42.83 115.88 3 0 1000.00 -999 ? >LYS~A 148 7.27 39.12 115.90 9.06 34.03 118.64 8.16 36.58 117.27 2 0 1000.00 -999 ? >PHE~A 149 1.95 40.88 118.58 -0.71 41.69 118.83 0.62 41.28 118.70 3 0 1000.00 -999 ? >LEU~A 150 4.28 44.58 115.34 4.04 45.93 117.00 4.16 45.26 116.17 3 0 1000.00 -999 ? >GLU~A 151 6.92 41.79 111.82 8.81 40.98 111.33 7.87 41.39 111.58 2 0 1000.00 -999 ? >ASN~A 152 2.22 37.36 112.28 0.68 36.00 111.71 1.45 36.68 111.99 2 0 1000.00 -999 ? >MET?A 153 -0.99 40.31 114.60 -2.38 44.27 115.42 -1.68 42.29 115.01 2 0 1000.00 -999 ? >ASP~A 154 -5.07 38.80 112.45 -5.09 40.76 111.65 -5.08 39.78 112.05 2 0 1000.00 -999 ? >TYR~A 155 -0.96 33.54 114.07 -0.05 31.20 115.30 -0.51 32.37 114.68 3 0 1000.00 -999 ? >TYR~A 156 0.95 35.98 117.70 3.44 34.81 117.17 2.20 35.40 117.43 3 0 1000.00 -999 ? >LEU~A 157 -5.29 38.81 117.86 -4.70 40.79 118.44 -5.00 39.80 118.15 3 0 1000.00 -999 ? >GLU~A 158 -7.29 34.80 115.32 -7.42 34.06 113.34 -7.36 34.43 114.33 2 0 1000.00 -999 ? >GLN~A 159 -2.21 31.19 118.94 -3.08 31.25 117.01 -2.65 31.22 117.98 2 0 1000.00 -999 ? >GLU.A 160 -6.88 29.88 125.15 -7.17 27.90 125.81 -7.03 28.89 125.48 2 0 1000.00 -999 ? >LEU.A 161 -4.06 33.83 127.10 -2.76 35.31 128.01 -3.41 34.57 127.56 3 0 1000.00 -999 ? >VAL.A 163 -0.13 30.00 131.12 -0.12 28.73 132.89 -0.13 29.37 132.00 3 0 1000.00 -999 ? >GLN.A 165 5.80 31.82 136.18 7.69 32.78 136.15 6.75 32.30 136.17 2 0 1000.00 -999 ? >GLU.A 166 -0.20 29.77 138.96 -1.67 30.01 137.45 -0.93 29.89 138.21 2 0 1000.00 -999 ? >GLY.A 167 3.41 33.52 139.58 3.12 32.87 139.89 3.27 33.20 139.73 1 0 1000.00 -999 ? >ASN~A 168 4.73 32.35 143.81 4.78 32.25 145.94 4.76 32.30 144.87 2 0 1000.00 -999 ? >VAL~A 169 4.29 36.68 145.51 2.31 37.25 146.22 3.30 36.96 145.86 3 0 1000.00 -999 ? >TYR~A 170 4.94 34.27 149.67 2.53 34.88 150.94 3.73 34.57 150.31 3 0 1000.00 -999 ? >SER~A 171 9.40 34.69 145.38 8.25 33.21 143.88 8.83 33.95 144.63 2 0 1000.00 -999 ? >CYH~A 172 8.47 37.89 143.60 9.76 39.71 145.31 9.11 38.80 144.45 2 0 1000.00 -999 ? >THR.A 173 7.40 35.70 140.68 7.85 33.64 140.33 7.63 34.67 140.51 2 0 1000.00 -999 ? >MET?A 174 4.92 37.33 138.32 6.68 40.13 135.63 5.80 38.73 136.98 2 0 1000.00 -999 ? >PRO.A 175 0.83 36.22 137.99 2.65 35.89 136.75 1.74 36.06 137.37 3 0 1000.00 -999 ? >LYS^A 176 3.50 34.92 132.71 8.16 35.84 134.60 5.83 35.38 133.66 2 0 1000.00 -999 ? >GLY^A 177 1.42 34.15 129.66 2.23 34.25 129.48 1.82 34.20 129.57 1 0 1000.00 -999 ? >SER^A 178 1.94 32.61 126.25 3.07 30.72 125.23 2.51 31.67 125.74 2 0 1000.00 -999 ? >LEU^A 179 0.19 34.61 122.53 -1.76 35.42 122.99 -0.79 35.01 122.76 3 0 1000.00 -999 ? >GLY.A 180 1.77 30.99 119.87 1.60 30.58 120.66 1.69 30.79 120.27 1 0 1000.00 -999 ? >THR.A 181 3.22 27.49 119.94 2.30 25.91 118.84 2.76 26.70 119.39 2 0 1000.00 -999 ? >GLY.A 182 6.21 26.59 117.82 6.13 27.27 118.29 6.17 26.93 118.06 1 0 1000.00 -999 ? >ASP.A 183 10.87 27.75 117.20 10.41 27.46 115.15 10.64 27.60 116.18 2 0 1000.00 -999 ? >ASN.A 184 6.81 31.17 115.81 5.33 29.66 115.58 6.07 30.41 115.70 2 0 1000.00 -999 ? >LYS.A 185 5.73 31.24 120.62 5.44 27.88 125.60 5.58 29.56 123.11 2 0 1000.00 -999 ? >ILE^A 186 4.34 35.58 121.78 5.27 36.50 121.46 4.80 36.04 121.62 3 0 1000.00 -999 ? >ILE^A 187 6.79 35.05 126.94 7.13 34.31 126.86 6.96 34.68 126.90 3 0 1000.00 -999 ? >LEU^A 188 1.97 38.15 127.91 1.08 38.76 126.05 1.52 38.46 126.98 3 0 1000.00 -999 ? >ASN^A 189 6.43 39.61 131.49 7.77 38.55 130.20 7.10 39.08 130.85 2 0 1000.00 -999 ? >PHE^A 190 0.16 38.89 132.46 -0.82 37.67 130.16 -0.33 38.28 131.31 3 0 1000.00 -999 ? >ASN.A 191 4.67 43.21 136.00 4.35 45.20 135.33 4.51 44.21 135.66 2 0 1000.00 -999 ? >HIS.A 192 -1.55 45.66 137.75 -3.12 46.60 138.78 -2.33 46.13 138.26 3 0 1000.00 -999 ? >GLN.A 193 -3.64 40.77 136.16 -5.37 41.14 137.31 -4.50 40.96 136.73 2 0 1000.00 -999 ? >ALA.A 194 -1.91 38.44 141.10 -2.95 38.39 142.21 -2.43 38.42 141.66 2 0 1000.00 -999 ? >SER~A 195 -2.72 35.19 139.27 -5.09 34.72 139.36 -3.91 34.96 139.31 2 0 1000.00 -999 ? >PHE~A 196 -2.26 32.60 133.67 -3.03 32.16 131.02 -2.64 32.38 132.34 3 0 1000.00 -999 ? >ALA~A 197 -6.20 33.39 135.43 -6.95 32.57 136.46 -6.58 32.98 135.95 2 0 1000.00 -999 ? >GLU~A 198 -7.01 36.73 138.96 -6.33 37.57 140.79 -6.67 37.15 139.87 2 0 1000.00 -999 ? >ALA~A 199 -4.74 38.29 133.79 -3.25 38.00 133.71 -4.00 38.14 133.75 2 0 1000.00 -999 ? >ASN~A 201 -10.27 37.41 133.41 -10.15 35.63 134.55 -10.21 36.52 133.98 2 0 1000.00 -999 ? >ASP~A 202 -7.66 41.64 132.18 -8.37 42.19 134.10 -8.02 41.92 133.14 2 0 1000.00 -999 ? >TRP~A 203 -6.03 37.46 125.98 -3.36 39.70 124.17 -4.70 38.58 125.08 3 0 1000.00 -999 ? >ASP~A 204 -9.71 36.62 126.18 -9.68 35.46 127.95 -9.69 36.04 127.07 2 0 1000.00 -999 ? >GLU~A 205 -13.63 41.86 128.94 -13.91 42.19 131.01 -13.77 42.02 129.97 2 0 1000.00 -999 ? >ARG~A 206 -8.84 46.04 129.08 -6.88 45.24 131.28 -7.86 45.64 130.18 2 0 1000.00 -999 ? >THR~A 208 -12.49 42.54 121.89 -13.93 41.92 123.38 -13.21 42.23 122.63 2 0 1000.00 -999 ? >ARG~A 209 -12.55 47.56 125.66 -12.25 47.31 128.69 -12.40 47.44 127.18 2 0 1000.00 -999 ? >ILE~A 210 -8.63 45.53 118.77 -7.14 45.79 118.86 -7.89 45.66 118.82 3 0 1000.00 -999 ? >ASN.A 211 -10.75 50.79 117.46 -11.08 52.24 115.92 -10.91 51.51 116.69 2 0 1000.00 -999 ? >ASN.A 214 -8.32 54.96 115.31 -7.15 56.57 116.09 -7.74 55.76 115.70 2 0 1000.00 -999 ? >LEU^A 215 -4.00 50.61 115.19 -4.70 48.60 115.50 -4.35 49.61 115.34 3 0 1000.00 -999 ? >PHE^A 216 -0.25 55.49 118.57 2.08 57.03 118.81 0.92 56.26 118.69 3 0 1000.00 -999 ? >VAL^A 217 1.66 51.35 117.65 1.89 49.60 116.42 1.77 50.47 117.04 3 0 1000.00 -999 ? >LYS^A 218 4.51 52.17 119.99 7.03 52.09 125.24 5.77 52.13 122.62 2 0 1000.00 -999 ? >MET?A 219 7.68 50.28 120.78 9.79 47.34 118.45 8.73 48.81 119.62 2 0 1000.00 -999 ? >LEU^A 220 10.45 51.29 124.40 12.37 51.86 125.20 11.41 51.57 124.80 3 0 1000.00 -999 ? >ILE.A 221 14.46 49.88 120.39 14.62 49.05 119.20 14.54 49.46 119.79 3 0 1000.00 -999 ? >LYS.A 222 16.83 50.78 124.60 15.77 49.80 129.79 16.30 50.29 127.19 2 0 1000.00 -999 ? >ASP.A 223 20.41 47.86 123.40 19.21 46.36 122.55 19.81 47.11 122.98 2 0 1000.00 -999 ? >ASP.A 224 23.21 49.74 119.55 23.75 50.14 117.57 23.48 49.94 118.56 2 0 1000.00 -999 ? >ASN~A 225 18.82 46.44 118.10 18.22 44.67 117.09 18.52 45.55 117.60 2 0 1000.00 -999 ? >GLU~A 226 20.09 49.86 111.65 21.30 51.39 110.83 20.70 50.63 111.24 2 0 1000.00 -999 ? >LEU~A 228 15.01 45.76 116.33 14.18 44.25 117.59 14.60 45.01 116.96 3 0 1000.00 -999 ? >VAL~A 229 14.59 49.50 114.26 15.50 51.26 115.13 15.04 50.38 114.69 3 0 1000.00 -999 ? >ARG~A 231 12.48 42.44 112.09 12.11 39.68 113.32 12.30 41.06 112.70 2 0 1000.00 -999 ? >PHE~A 232 9.07 49.52 114.93 6.90 50.92 116.01 7.98 50.22 115.47 3 0 1000.00 -999 ? >ASP~A 233 11.45 51.85 110.25 11.10 53.75 109.37 11.28 52.80 109.81 2 0 1000.00 -999 ? >ASN~A 234 9.76 47.62 107.46 11.45 48.35 106.42 10.61 47.98 106.94 2 0 1000.00 -999 ? >LEU.A 235 5.27 47.80 111.13 5.45 46.33 112.71 5.36 47.06 111.92 3 0 1000.00 -999 ? >PRO.A 236 1.68 46.44 108.36 3.09 48.09 107.88 2.39 47.26 108.12 3 0 1000.00 -999 ? >TYR.A 237 1.01 48.82 112.11 0.40 46.19 112.83 0.71 47.51 112.47 3 0 1000.00 -999 ? >ASN.A 239 -0.95 55.86 113.30 -0.88 57.62 114.47 -0.92 56.74 113.89 2 0 1000.00 -999 ? >LYS^A 240 3.36 54.18 114.74 5.26 52.61 110.07 4.31 53.39 112.41 2 0 1000.00 -999 ? >VAL^A 241 6.34 55.42 116.79 6.25 56.85 118.44 6.30 56.14 117.62 3 0 1000.00 -999 ? >CYH^A 242 9.52 53.93 118.25 11.64 52.07 118.01 10.58 53.00 118.13 2 0 1000.00 -999 ? >PHE^A 243 9.50 56.07 122.74 6.94 57.14 122.98 8.22 56.61 122.86 3 0 1000.00 -999 ? >HIS.A 244 16.75 54.29 119.07 18.23 52.81 118.86 17.49 53.55 118.97 3 0 1000.00 -999 ? >PRO.A 245 18.35 54.42 123.48 17.76 56.26 122.42 18.06 55.34 122.95 3 0 1000.00 -999 ? >LYS.A 246 19.68 58.24 119.65 21.89 53.19 118.67 20.78 55.72 119.16 2 0 1000.00 -999 ? >PRO.A 247 20.14 61.27 116.61 18.67 59.68 117.08 19.40 60.47 116.84 3 0 1000.00 -999 ? >MET?A 248 17.84 57.49 113.48 19.23 54.45 114.71 18.54 55.97 114.10 2 0 1000.00 -999 ? >LYS.A 249 17.31 57.82 109.75 20.83 55.86 111.93 19.07 56.84 110.84 2 0 1000.00 -999 ? >TYR.A 250 15.37 53.54 110.55 17.58 52.04 109.67 16.48 52.79 110.11 3 0 1000.00 -999 ? >SER.A 252 9.27 56.21 112.87 9.78 53.87 112.80 9.52 55.04 112.83 2 0 1000.00 -999 ? >VAL.A 253 12.08 56.69 115.40 14.13 55.99 115.50 13.11 56.34 115.45 3 0 1000.00 -999 ? >ALA.A 254 11.61 59.36 118.10 10.70 59.11 119.30 11.15 59.24 118.70 2 0 1000.00 -999 ? >PHE.A 255 16.84 61.34 119.82 18.95 62.78 121.01 17.89 62.06 120.42 3 0 1000.00 -999 ? >PHE~A 256 11.81 62.20 123.68 9.28 61.30 122.86 10.55 61.75 123.27 3 0 1000.00 -999 ? >PRO~A 257 16.53 66.23 121.32 16.57 64.96 123.14 16.55 65.60 122.23 3 0 1000.00 -999 ? >ARG~A 258 12.97 67.78 128.76 12.92 70.84 128.63 12.94 69.31 128.69 2 0 1000.00 -999 ? >TYR~A 259 16.35 59.99 127.48 17.54 57.65 128.45 16.95 58.82 127.96 3 0 1000.00 -999 ? >ILE~A 260 20.63 62.52 125.81 21.30 61.22 125.58 20.96 61.87 125.70 3 0 1000.00 -999 ? >TRP~A 261 20.77 68.80 129.57 18.74 68.93 132.93 19.76 68.86 131.25 3 0 1000.00 -999 ? >ARG~A 262 15.28 62.72 133.68 13.66 60.15 133.37 14.47 61.43 133.53 2 0 1000.00 -999 ? >CYH~A 263 20.63 61.02 131.90 19.71 58.83 130.40 20.17 59.93 131.15 2 0 1000.00 -999 ? >ILE~A 264 24.78 62.96 131.31 24.96 63.11 129.79 24.87 63.03 130.55 3 0 1000.00 -999 ? >ASN~A 265 22.61 67.40 133.16 24.27 67.64 131.88 23.44 67.52 132.52 2 0 1000.00 -999 ? >TYR~A 266 17.03 65.59 136.56 14.82 65.98 138.25 15.92 65.79 137.41 3 0 1000.00 -999 ? >ALA.A 267 20.67 66.11 139.69 20.71 67.37 140.54 20.69 66.74 140.12 2 0 1000.00 -999 ? >ALA.A 268 17.75 64.37 141.40 16.53 65.08 141.98 17.14 64.73 141.69 2 0 1000.00 -999 ? >ARG.A 269 20.95 60.85 136.57 23.58 62.36 136.20 22.27 61.61 136.38 2 0 1000.00 -999 ? >THR.A 270 16.78 58.43 139.29 15.02 57.24 138.81 15.90 57.83 139.05 2 0 1000.00 -999 ? >SER.A 271 18.83 56.54 136.68 18.88 54.51 135.34 18.85 55.52 136.01 2 0 1000.00 -999 ? >ASN.A 272 22.69 57.05 134.16 23.57 55.13 133.86 23.13 56.09 134.01 2 0 1000.00 -999 ? >SER.A 273 19.56 54.88 131.20 20.69 53.17 132.48 20.12 54.03 131.84 2 0 1000.00 -999 ? >ASN~A 274 15.40 54.64 133.63 15.38 56.67 134.28 15.39 55.66 133.95 2 0 1000.00 -999 ? >LEU~A 275 14.99 55.25 127.51 14.39 56.36 125.76 14.69 55.81 126.63 3 0 1000.00 -999 ? >GLU~A 276 11.60 51.60 131.08 13.54 52.22 131.64 12.57 51.91 131.36 2 0 1000.00 -999 ? >GLN~A 277 11.40 56.61 135.09 11.23 58.71 134.70 11.31 57.66 134.89 2 0 1000.00 -999 ? >TYR~A 278 12.42 60.65 129.45 12.24 63.27 128.51 12.33 61.96 128.98 3 0 1000.00 -999 ? >THR~A 279 8.71 57.92 128.20 9.64 56.36 127.04 9.17 57.14 127.62 2 0 1000.00 -999 ? >MET?A 280 6.18 56.83 130.80 6.44 52.60 131.37 6.31 54.71 131.09 2 0 1000.00 -999 ? >ASP~A 281 7.73 60.31 133.65 7.44 61.73 135.16 7.58 61.02 134.41 2 0 1000.00 -999 ? >MET?A 282 4.02 62.46 131.42 1.98 60.18 130.02 3.00 61.32 130.72 2 0 1000.00 -999 ? >SER~A 283 5.97 65.27 133.09 5.59 64.91 135.46 5.78 65.09 134.27 2 0 1000.00 -999 ? >TRP~A 284 10.16 62.84 133.49 13.05 65.52 133.67 11.60 64.18 133.58 3 0 1000.00 -999 ? >LEU~A 285 5.89 62.04 127.79 5.54 60.60 126.24 5.71 61.32 127.01 3 0 1000.00 -999 ? >GLU~A 286 4.47 67.34 129.74 3.09 68.17 131.10 3.78 67.76 130.42 2 0 1000.00 -999 ? >LYS~A 287 8.02 68.44 127.49 9.69 68.87 133.45 8.85 68.66 130.47 2 0 1000.00 -999 ? >SER~A 288 9.53 66.33 124.76 11.43 65.26 125.78 10.48 65.80 125.27 2 0 1000.00 -999 ? >CYH~A 289 6.48 65.98 122.52 5.52 63.42 122.74 6.00 64.70 122.63 2 0 1000.00 -999 ? >ASP~A 290 2.60 67.98 120.64 0.57 68.48 120.58 1.58 68.23 120.61 2 0 1000.00 -999 ? >ILE~A 291 0.76 63.43 124.18 0.93 62.78 125.39 0.85 63.10 124.79 3 0 1000.00 -999 ? >LEU~A 292 -3.00 66.06 121.67 -4.59 65.84 123.11 -3.80 65.95 122.39 3 0 1000.00 -999 ? >LYS~A 293 -0.58 65.71 117.93 2.44 69.32 114.43 0.93 67.52 116.18 2 0 1000.00 -999 ? >MET?A 294 1.45 62.51 118.01 3.90 60.15 120.58 2.67 61.33 119.29 2 0 1000.00 -999 ? >LEU~A 295 -2.35 60.17 119.94 -1.81 59.11 121.73 -2.08 59.64 120.83 3 0 1000.00 -999 ? >CYH~A 296 -3.58 61.94 116.00 -5.25 63.70 117.33 -4.41 62.82 116.66 2 0 1000.00 -999 ? >GLY.A 297 -0.97 60.73 113.56 -1.04 61.49 113.76 -1.00 61.11 113.66 1 0 1000.00 -999 ? >GLU.A 298 -1.73 65.70 113.22 -2.35 67.51 114.12 -2.04 66.61 113.67 2 0 1000.00 -999 ? >GLU.A 299 3.94 64.18 109.66 4.88 64.37 107.79 4.41 64.27 108.73 2 0 1000.00 -999 ? >ASP.A 300 5.73 68.82 113.20 6.89 68.99 111.44 6.31 68.91 112.32 2 0 1000.00 -999 ? >PHE.A 301 4.71 63.81 117.16 6.19 61.52 116.63 5.45 62.67 116.90 3 0 1000.00 -999 ? >ILE.A 302 9.59 65.54 118.09 10.20 64.41 118.96 9.90 64.97 118.52 3 0 1000.00 -999 ? >ARG.A 303 5.91 69.88 123.26 6.26 71.89 125.54 6.08 70.88 124.40 2 0 1000.00 -999 ? >GLU.A 304 12.06 70.13 123.33 12.27 69.71 125.36 12.16 69.92 124.35 2 0 1000.00 -999 ? >MET?B 1 20.05 62.74 178.01 18.81 65.13 180.26 19.43 63.93 179.13 2 0 1000.00 -999 ? >TYR^B 2 21.86 64.50 174.12 22.72 62.07 173.08 22.29 63.28 173.60 3 0 1000.00 -999 ? >LYS^B 3 20.80 69.54 176.89 25.18 71.23 180.21 22.99 70.39 178.55 2 0 1000.00 -999 ? >CYH^B 4 19.72 71.45 173.79 19.24 68.84 172.84 19.48 70.14 173.32 2 0 1000.00 -999 ? >LEU^B 5 20.17 76.01 172.48 21.18 77.20 173.96 20.67 76.61 173.22 3 0 1000.00 -999 ? >ILE^B 6 14.66 75.46 170.70 14.18 74.12 170.24 14.42 74.79 170.47 3 0 1000.00 -999 ? >TRP^B 7 17.51 80.17 165.44 21.39 80.77 165.20 19.45 80.47 165.32 3 0 1000.00 -999 ? >GLY.B 8 13.09 78.49 165.92 13.04 78.84 166.62 13.06 78.66 166.27 1 0 1000.00 -999 ? >VAL.B 9 10.00 79.18 168.05 11.12 80.57 169.34 10.56 79.88 168.70 3 0 1000.00 -999 ? >ASN~B 10 8.06 80.05 163.87 7.60 82.12 163.70 7.83 81.08 163.78 2 0 1000.00 -999 ? >ASP~B 11 4.80 77.41 161.67 3.75 79.19 161.27 4.28 78.30 161.47 2 0 1000.00 -999 ? >GLU~B 12 8.83 74.18 160.83 9.11 76.08 159.89 8.97 75.13 160.36 2 0 1000.00 -999 ? >TYR~B 13 8.89 76.11 168.94 8.94 76.03 171.75 8.91 76.07 170.35 3 0 1000.00 -999 ? >THR~B 14 4.72 74.77 167.93 3.18 76.23 168.22 3.95 75.50 168.08 2 0 1000.00 -999 ? >LEU~B 15 4.49 72.00 163.97 2.48 71.80 163.24 3.48 71.90 163.61 3 0 1000.00 -999 ? >ALA~B 16 6.79 69.99 167.10 8.20 70.05 166.58 7.49 70.02 166.84 2 0 1000.00 -999 ? >TYR~B 17 5.49 72.54 172.56 6.18 73.00 175.23 5.83 72.77 173.89 3 0 1000.00 -999 ? >ASP~B 18 2.95 67.37 171.04 1.23 68.34 171.76 2.09 67.86 171.40 2 0 1000.00 -999 ? >LYS~B 19 7.02 65.75 170.24 7.77 62.57 166.00 7.39 64.16 168.12 2 0 1000.00 -999 ? >LEU~B 20 9.48 69.29 172.44 10.86 69.98 170.94 10.17 69.64 171.69 3 0 1000.00 -999 ? >LEU~B 21 5.86 67.58 175.67 5.26 69.45 176.53 5.56 68.51 176.10 3 0 1000.00 -999 ? >PHE~B 22 6.83 61.47 173.48 6.72 58.69 173.47 6.78 60.08 173.48 3 0 1000.00 -999 ? >GLU~B 23 11.82 63.71 171.64 11.89 61.61 171.64 11.86 62.66 171.64 2 0 1000.00 -999 ? >ILE~B 24 10.92 66.75 177.65 11.05 68.11 178.02 10.98 67.43 177.84 3 0 1000.00 -999 ? >SER~B 25 9.13 62.94 179.10 7.79 61.60 177.60 8.46 62.27 178.35 2 0 1000.00 -999 ? >LYS~B 26 11.32 60.01 178.03 11.12 59.07 172.25 11.22 59.54 175.14 2 0 1000.00 -999 ? >GLY.B 27 14.10 62.13 179.48 14.04 61.93 178.69 14.07 62.03 179.08 1 0 1000.00 -999 ? >ASN.B 28 15.34 61.86 174.78 14.96 59.81 174.49 15.15 60.84 174.64 2 0 1000.00 -999 ? >LEU^B 29 16.52 66.48 174.96 14.86 67.27 173.82 15.69 66.88 174.39 3 0 1000.00 -999 ? >SER^B 30 15.96 69.29 178.04 18.06 69.31 179.24 17.01 69.30 178.64 2 0 1000.00 -999 ? >ILE^B 31 14.36 73.28 176.01 13.48 73.52 174.94 13.92 73.40 175.48 3 0 1000.00 -999 ? >GLU^B 32 20.32 73.85 177.93 19.85 72.87 179.74 20.09 73.36 178.83 2 0 1000.00 -999 ? >ALA^B 33 16.88 78.20 176.15 17.88 79.28 176.48 17.38 78.74 176.31 2 0 1000.00 -999 ? >LEU^B 34 13.80 79.71 172.92 12.41 78.39 173.91 13.10 79.05 173.42 3 0 1000.00 -999 ? >ILE^B 35 18.50 80.79 169.58 19.83 80.55 169.42 19.16 80.67 169.50 3 0 1000.00 -999 ? >SER.B 36 15.34 83.88 168.02 12.97 84.24 167.54 14.15 84.06 167.78 2 0 1000.00 -999 ? >ASP.B 38 11.19 87.51 165.53 11.44 87.80 163.47 11.32 87.65 164.50 2 0 1000.00 -999 ? >LYS.B 39 11.67 88.88 169.97 16.14 88.49 169.21 13.90 88.68 169.59 2 0 1000.00 -999 ? >TYR.B 40 8.00 86.00 168.33 8.83 85.20 165.78 8.42 85.60 167.05 3 0 1000.00 -999 ? >ALA.B 41 8.15 87.50 173.92 7.06 86.54 174.35 7.61 87.02 174.14 2 0 1000.00 -999 ? >LYS.B 42 10.63 87.15 176.78 13.13 90.13 181.73 11.88 88.64 179.25 2 0 1000.00 -999 ? >TYR^B 43 9.97 84.23 180.13 11.74 85.42 181.92 10.85 84.82 181.03 3 0 1000.00 -999 ? >ILE^B 44 8.48 80.87 174.11 8.22 81.12 172.72 8.35 81.00 173.41 3 0 1000.00 -999 ? >ASP.B 45 7.12 76.65 176.30 5.81 76.76 174.67 6.47 76.70 175.48 2 0 1000.00 -999 ? >GLY.B 46 8.81 78.75 180.42 9.12 78.79 179.72 8.96 78.77 180.07 1 0 1000.00 -999 ? >LYS^B 47 12.13 78.84 178.64 13.77 74.37 181.04 12.95 76.60 179.84 2 0 1000.00 -999 ? >GLU^B 48 15.40 84.07 178.65 17.10 84.63 179.76 16.25 84.35 179.20 2 0 1000.00 -999 ? >VAL^B 49 14.29 83.72 174.56 12.69 84.31 173.21 13.49 84.01 173.88 3 0 1000.00 -999 ? >ILE^B 50 19.16 83.90 174.67 18.92 82.41 174.70 19.04 83.16 174.68 3 0 1000.00 -999 ? >ASP.B 51 20.17 87.46 170.93 20.84 87.99 169.03 20.50 87.72 169.98 2 0 1000.00 -999 ? >LYS.B 52 22.37 84.23 168.79 24.51 85.47 163.04 23.44 84.85 165.92 2 0 1000.00 -999 ? >THR.B 53 25.15 86.21 170.49 24.65 88.30 170.24 24.90 87.26 170.36 2 0 1000.00 -999 ? >GLU~B 54 22.41 86.50 174.03 20.76 87.17 175.20 21.58 86.83 174.62 2 0 1000.00 -999 ? >ILE~B 55 24.12 80.41 171.73 24.60 80.18 170.38 24.36 80.29 171.06 3 0 1000.00 -999 ? >SER~B 56 27.89 81.23 174.14 28.44 83.60 174.15 28.17 82.42 174.14 2 0 1000.00 -999 ? >ASN~B 57 25.91 82.71 178.29 26.36 84.56 177.34 26.14 83.64 177.81 2 0 1000.00 -999 ? >TYR~B 58 22.77 78.95 177.51 20.80 80.75 178.35 21.79 79.85 177.93 3 0 1000.00 -999 ? >PHE.B 60 24.43 74.07 173.54 25.87 75.57 171.65 25.15 74.82 172.59 3 0 1000.00 -999 ? >ASP.B 61 24.97 67.87 173.59 24.86 67.69 175.65 24.92 67.78 174.62 2 0 1000.00 -999 ? >TYR^B 62 22.72 67.91 169.76 24.08 65.55 169.17 23.40 66.73 169.46 3 0 1000.00 -999 ? >ILE^B 63 21.96 74.32 167.95 21.76 75.65 168.69 21.86 74.99 168.32 3 0 1000.00 -999 ? >ILE^B 64 16.71 71.51 168.04 16.03 70.38 168.52 16.37 70.94 168.29 3 0 1000.00 -999 ? >ILE^B 65 17.80 74.57 162.90 18.47 75.91 162.99 18.14 75.24 162.95 3 0 1000.00 -999 ? >PHE.B 66 12.09 73.37 165.50 11.85 70.92 166.81 11.97 72.14 166.16 3 0 1000.00 -999 ? >ASN.B 67 13.61 77.76 160.55 13.24 79.20 159.05 13.43 78.48 159.80 2 0 1000.00 -999 ? >GLU.B 69 10.56 77.85 154.96 10.62 77.46 157.06 10.59 77.66 156.01 2 0 1000.00 -999 ? >ARG~B 70 15.34 82.81 155.72 17.33 83.39 158.02 16.33 83.10 156.87 2 0 1000.00 -999 ? >TYR~B 71 18.27 73.67 158.29 20.20 72.15 159.64 19.24 72.91 158.96 3 0 1000.00 -999 ? >SER~B 72 20.90 76.23 155.83 20.16 77.06 153.69 20.53 76.65 154.76 2 0 1000.00 -999 ? >ASP~B 73 20.13 81.02 156.08 19.93 81.33 154.00 20.03 81.18 155.04 2 0 1000.00 -999 ? >ILE~B 74 19.61 78.92 160.89 18.81 80.04 161.45 19.21 79.48 161.17 3 0 1000.00 -999 ? >LYS~B 75 23.35 76.86 160.20 25.42 71.29 158.11 24.39 74.08 159.15 2 0 1000.00 -999 ? >ASN~B 76 25.51 79.82 157.03 25.58 78.42 155.44 25.55 79.12 156.24 2 0 1000.00 -999 ? >GLU~B 77 22.96 82.25 160.99 21.44 83.73 160.98 22.20 82.99 160.98 2 0 1000.00 -999 ? >ALA~B 78 25.61 79.32 163.77 24.72 78.11 163.90 25.17 78.71 163.84 2 0 1000.00 -999 ? >LEU~B 79 28.90 77.36 160.82 28.79 75.24 160.38 28.84 76.30 160.60 3 0 1000.00 -999 ? >GLU~B 80 29.60 83.95 160.57 31.15 83.67 159.16 30.37 83.81 159.87 2 0 1000.00 -999 ? >LEU~B 81 27.85 81.72 166.13 27.29 83.76 166.43 27.57 82.74 166.28 3 0 1000.00 -999 ? >GLY.B 82 31.92 79.37 165.78 31.14 79.21 165.89 31.53 79.29 165.83 1 0 1000.00 -999 ? >ILE.B 83 28.14 76.56 166.76 27.99 76.65 168.17 28.07 76.61 167.46 3 0 1000.00 -999 ? >PRO~B 84 31.63 72.86 168.15 30.68 73.51 166.26 31.16 73.19 167.20 3 0 1000.00 -999 ? >GLU~B 85 28.58 70.79 160.53 29.48 70.21 158.73 29.03 70.50 159.63 2 0 1000.00 -999 ? >ARG~B 86 31.37 67.42 166.90 31.78 68.78 169.63 31.58 68.10 168.27 2 0 1000.00 -999 ? >LYS.B 87 26.19 70.11 167.27 28.02 70.50 171.80 27.10 70.30 169.54 2 0 1000.00 -999 ? >ILE^B 88 24.16 72.34 163.47 23.85 73.74 163.83 24.00 73.04 163.65 3 0 1000.00 -999 ? >LEU^B 89 20.00 68.79 165.33 20.75 67.05 166.36 20.38 67.92 165.85 3 0 1000.00 -999 ? >ASN^B 90 17.68 69.64 160.31 16.31 70.76 159.15 17.00 70.20 159.73 2 0 1000.00 -999 ? >GLY.B 91 14.40 69.93 163.79 14.47 69.82 163.04 14.43 69.88 163.42 1 0 1000.00 -999 ? >LYS~B 92 12.35 68.83 160.82 13.86 68.46 154.83 13.10 68.64 157.82 2 0 1000.00 -999 ? >PHE~B 93 15.56 65.04 160.01 16.59 65.64 157.49 16.08 65.34 158.75 3 0 1000.00 -999 ? >PHE~B 94 12.25 66.62 166.65 13.93 66.91 168.86 13.09 66.77 167.75 3 0 1000.00 -999 ? >PHE~B 95 7.96 67.26 162.02 7.54 69.70 163.33 7.75 68.48 162.68 3 0 1000.00 -999 ? >ILE~B 96 10.78 60.66 160.58 12.22 60.59 160.62 11.50 60.62 160.60 3 0 1000.00 -999 ? >SER.B 97 7.29 58.58 162.31 7.21 56.60 160.89 7.25 57.59 161.60 2 0 1000.00 -999 ? >ASN.B 98 8.73 55.35 165.09 6.95 54.24 165.25 7.84 54.80 165.17 2 0 1000.00 -999 ? >PHE.B 99 12.07 61.81 166.09 14.38 63.30 166.64 13.23 62.55 166.37 3 0 1000.00 -999 ? >ASP~B 100 13.57 57.77 169.69 14.43 57.76 171.61 14.00 57.77 170.65 2 0 1000.00 -999 ? >PHE~B 101 16.78 63.99 170.74 18.52 66.08 170.18 17.65 65.04 170.46 3 0 1000.00 -999 ? >LYS~B 102 18.26 59.25 171.87 19.95 53.93 171.60 19.11 56.59 171.73 2 0 1000.00 -999 ? >ARG~B 103 16.09 54.07 168.47 13.46 53.75 170.00 14.78 53.91 169.23 2 0 1000.00 -999 ? >TYR~B 104 17.92 61.84 165.05 18.30 63.31 162.71 18.11 62.57 163.88 3 0 1000.00 -999 ? >CYH~B 105 21.65 61.28 168.11 20.64 63.45 169.41 21.15 62.37 168.76 2 0 1000.00 -999 ? >LYS~B 106 23.22 57.88 168.63 22.45 51.73 169.50 22.83 54.81 169.06 2 0 1000.00 -999 ? >LEU~B 107 22.21 57.28 163.96 21.06 55.47 163.72 21.63 56.38 163.84 3 0 1000.00 -999 ? >ILE~B 108 24.45 62.21 165.29 24.16 63.02 164.13 24.31 62.62 164.71 3 0 1000.00 -999 ? >GLU~B 109 26.62 61.84 169.31 25.70 61.78 171.18 26.16 61.81 170.24 2 0 1000.00 -999 ? >ASN~B 110 28.64 55.92 167.06 29.75 54.28 166.27 29.19 55.10 166.66 2 0 1000.00 -999 ? >PRO.B 111 29.94 59.46 162.71 28.63 57.75 163.20 29.28 58.61 162.96 3 0 1000.00 -999 ? >ILE.B 112 24.69 55.01 161.22 24.17 54.41 160.93 24.43 54.71 161.07 3 0 1000.00 -999 ? >THR^B 113 27.64 53.72 157.89 29.69 53.06 157.96 28.67 53.39 157.93 2 0 1000.00 -999 ? >ILE^B 114 23.80 52.20 155.44 22.35 52.28 155.53 23.08 52.24 155.49 3 0 1000.00 -999 ? >ILE^B 115 27.42 47.85 153.96 28.22 48.10 154.09 27.82 47.98 154.03 3 0 1000.00 -999 ? >SER^B 116 23.73 47.93 151.01 22.23 49.48 149.91 22.98 48.71 150.46 2 0 1000.00 -999 ? >ASP.B 117 22.82 44.67 147.58 20.96 44.37 148.55 21.89 44.52 148.06 2 0 1000.00 -999 ? >ASP.B 118 19.94 48.53 145.77 18.68 48.05 147.39 19.31 48.29 146.58 2 0 1000.00 -999 ? >CYH~B 119 20.24 52.63 146.64 20.34 53.72 144.08 20.29 53.17 145.36 2 0 1000.00 -999 ? >TRP~B 120 16.07 50.29 151.50 17.72 50.34 155.06 16.90 50.31 153.28 3 0 1000.00 -999 ? >GLY~B 121 21.21 53.16 152.15 20.84 53.51 151.50 21.02 53.34 151.82 1 0 1000.00 -999 ? >GLY~B 122 21.47 56.36 150.16 20.81 56.00 150.55 21.14 56.18 150.35 1 0 1000.00 -999 ? >LEU~B 123 16.64 56.08 149.81 16.28 55.95 147.67 16.46 56.01 148.74 3 0 1000.00 -999 ? >VAL~B 124 17.62 56.11 154.15 17.55 54.31 155.37 17.58 55.21 154.76 3 0 1000.00 -999 ? >SER~B 125 20.48 58.44 155.04 22.57 57.26 154.76 21.53 57.85 154.90 2 0 1000.00 -999 ? >SER~B 126 18.65 61.21 153.26 19.57 60.97 151.08 19.11 61.09 152.17 2 0 1000.00 -999 ? >TYR~B 127 13.49 58.92 155.92 11.22 58.60 157.52 12.35 58.76 156.72 3 0 1000.00 -999 ? >LEU~B 128 17.95 59.88 158.94 16.91 58.03 159.32 17.43 58.95 159.13 3 0 1000.00 -999 ? >GLY~B 129 19.27 63.89 156.98 19.59 63.17 157.20 19.43 63.53 157.09 1 0 1000.00 -999 ? >PHE.B 130 21.91 60.36 159.38 20.65 59.86 161.83 21.28 60.11 160.61 3 0 1000.00 -999 ? >PHE.B 132 25.48 59.83 150.98 23.07 60.44 149.72 24.27 60.14 150.35 3 0 1000.00 -999 ? >ASN.B 133 29.25 57.95 156.95 30.16 59.70 157.71 29.70 58.82 157.33 2 0 1000.00 -999 ? >SER.B 134 29.49 54.99 153.06 28.28 52.98 152.50 28.89 53.98 152.78 2 0 1000.00 -999 ? >PRO.B 135 31.90 52.74 150.09 30.48 54.43 150.15 31.19 53.58 150.12 3 0 1000.00 -999 ? >PHE.B 136 28.20 50.05 149.72 30.35 48.25 149.68 29.28 49.15 149.70 3 0 1000.00 -999 ? >ILE.B 137 25.75 56.28 147.37 24.82 56.63 148.43 25.29 56.46 147.90 3 0 1000.00 -999 ? >ASN.B 138 23.91 56.20 143.08 22.58 57.61 143.92 23.24 56.90 143.50 2 0 1000.00 -999 ? >PHE^B 139 27.04 51.16 143.38 28.57 50.41 145.61 27.80 50.79 144.50 3 0 1000.00 -999 ? >TYR^B 140 22.22 47.22 140.83 21.94 46.74 138.10 22.08 46.98 139.46 3 0 1000.00 -999 ? >ILE.B 141 26.47 44.47 144.46 27.80 44.55 144.99 27.14 44.51 144.73 3 0 1000.00 -999 ? >HIS~B 142 23.30 41.22 140.10 22.61 42.28 138.41 22.96 41.75 139.26 3 0 1000.00 -999 ? >ASN~B 143 22.08 37.75 145.46 20.33 38.75 146.13 21.20 38.25 145.80 2 0 1000.00 -999 ? >ASP~B 144 26.07 35.56 143.15 24.18 34.75 142.64 25.12 35.15 142.89 2 0 1000.00 -999 ? >ASP~B 145 28.88 40.04 143.15 29.70 39.21 141.40 29.29 39.62 142.27 2 0 1000.00 -999 ? >TYR~B 146 25.66 42.50 148.45 25.25 44.35 150.50 25.45 43.42 149.48 3 0 1000.00 -999 ? >ILE~B 147 26.61 36.77 149.62 26.79 36.35 150.27 26.70 36.56 149.95 3 0 1000.00 -999 ? >LYS~B 148 30.88 37.31 148.32 32.72 36.41 142.71 31.80 36.86 145.52 2 0 1000.00 -999 ? >PHE~B 149 31.52 43.40 149.28 32.36 45.64 150.74 31.94 44.52 150.01 3 0 1000.00 -999 ? >LEU~B 150 28.87 40.67 152.96 27.43 42.26 152.87 28.15 41.46 152.92 3 0 1000.00 -999 ? >GLU~B 151 30.75 36.05 153.27 30.32 34.11 152.53 30.53 35.08 152.90 2 0 1000.00 -999 ? >ASN~B 152 36.39 38.65 151.29 38.50 38.67 151.47 37.44 38.66 151.38 2 0 1000.00 -999 ? >MET?B 153 34.98 43.07 152.88 32.64 45.64 155.32 33.81 44.36 154.10 2 0 1000.00 -999 ? >ASP~B 154 39.31 43.99 154.94 38.48 44.74 156.73 38.90 44.36 155.83 2 0 1000.00 -999 ? >TYR~B 155 40.40 41.05 148.87 41.04 40.59 146.18 40.72 40.82 147.52 3 0 1000.00 -999 ? >TYR~B 156 35.98 42.58 147.68 35.65 40.00 146.70 35.82 41.29 147.19 3 0 1000.00 -999 ? >LEU~B 157 37.44 47.99 151.42 35.30 48.18 151.71 36.37 48.09 151.56 3 0 1000.00 -999 ? >GLU~B 158 42.49 46.92 151.77 43.45 45.36 152.86 42.97 46.14 152.31 2 0 1000.00 -999 ? >GLN.B 159 40.41 44.54 145.68 42.40 43.77 145.51 41.40 44.16 145.59 2 0 1000.00 -999 ? >GLU.B 160 42.71 50.98 141.26 43.14 52.72 142.40 42.92 51.85 141.83 2 0 1000.00 -999 ? >LEU.B 161 37.06 51.24 141.48 34.93 51.41 141.11 36.00 51.33 141.30 3 0 1000.00 -999 ? >LYS^B 162 38.55 49.10 137.53 44.04 48.88 138.28 41.30 48.99 137.90 2 0 1000.00 -999 ? >VAL^B 163 36.21 49.81 134.63 36.34 50.71 132.64 36.27 50.26 133.63 3 0 1000.00 -999 ? >GLN^B 165 29.94 48.45 129.92 28.13 47.37 129.86 29.03 47.91 129.89 2 0 1000.00 -999 ? >GLU.B 166 33.98 54.00 128.74 34.91 54.08 130.63 34.45 54.04 129.69 2 0 1000.00 -999 ? >GLY.B 167 28.82 53.70 129.92 29.39 54.00 129.39 29.10 53.85 129.66 1 0 1000.00 -999 ? >ASN~B 168 27.31 54.12 125.57 26.52 54.98 123.79 26.92 54.55 124.68 2 0 1000.00 -999 ? >VAL~B 169 23.83 56.98 127.09 24.34 59.06 127.53 24.08 58.02 127.31 3 0 1000.00 -999 ? >TYR~B 170 23.96 58.32 122.38 24.17 61.07 122.62 24.07 59.70 122.50 3 0 1000.00 -999 ? >SER~B 171 22.23 52.65 124.12 24.50 51.92 124.54 23.37 52.28 124.33 2 0 1000.00 -999 ? >CYH~B 172 21.08 52.95 127.73 18.45 53.57 126.99 19.77 53.26 127.36 2 0 1000.00 -999 ? >THR.B 173 24.24 51.25 128.95 25.44 50.98 127.19 24.84 51.12 128.07 2 0 1000.00 -999 ? >MET?B 174 25.52 52.25 132.39 23.61 49.90 135.44 24.57 51.07 133.91 2 0 1000.00 -999 ? >PRO.B 175 28.82 54.65 133.71 28.41 52.48 133.50 28.61 53.56 133.61 3 0 1000.00 -999 ? >LYS^B 176 30.15 49.13 135.49 26.02 44.89 133.51 28.08 47.01 134.50 2 0 1000.00 -999 ? >GLY^B 177 33.14 48.65 137.73 32.58 48.03 137.80 32.86 48.34 137.77 1 0 1000.00 -999 ? >SER^B 178 34.91 45.75 139.37 36.52 45.08 137.68 35.71 45.42 138.52 2 0 1000.00 -999 ? >LEU^B 179 36.31 45.35 143.76 35.85 47.41 144.17 36.08 46.38 143.97 3 0 1000.00 -999 ? >GLY.B 180 39.24 41.88 142.84 39.12 42.29 142.10 39.18 42.09 142.47 1 0 1000.00 -999 ? >THR~B 181 40.45 39.56 140.08 42.53 40.11 140.26 41.49 39.84 140.17 2 0 1000.00 -999 ? >GLY~B 182 39.84 36.09 138.74 39.33 36.61 139.12 39.58 36.35 138.93 1 0 1000.00 -999 ? >ASP~B 183 37.56 32.83 141.48 36.87 31.28 140.22 37.21 32.05 140.85 2 0 1000.00 -999 ? >ASN~B 184 38.44 37.10 144.43 39.16 35.22 145.02 38.80 36.16 144.72 2 0 1000.00 -999 ? >LYS~B 185 36.13 39.75 141.17 36.03 40.06 135.43 36.08 39.90 138.30 2 0 1000.00 -999 ? >ILE^B 186 32.48 41.72 143.36 32.88 41.95 144.72 32.68 41.83 144.04 3 0 1000.00 -999 ? >ILE^B 187 30.10 43.29 138.44 31.08 43.51 137.35 30.59 43.40 137.89 3 0 1000.00 -999 ? >LEU^B 188 30.12 48.32 141.34 30.87 47.81 143.30 30.49 48.07 142.32 3 0 1000.00 -999 ? >ASN^B 189 25.35 47.73 138.22 25.87 45.68 138.10 25.61 46.71 138.16 2 0 1000.00 -999 ? >PHE^B 190 28.78 52.78 138.81 30.99 51.80 140.23 29.88 52.29 139.52 3 0 1000.00 -999 ? >ASN.B 191 21.72 53.70 138.90 21.52 51.66 139.41 21.62 52.68 139.15 2 0 1000.00 -999 ? >HIS.B 192 23.19 59.55 140.36 23.00 61.64 140.43 23.09 60.59 140.40 3 0 1000.00 -999 ? >GLN.B 193 28.19 58.22 139.21 28.45 60.30 138.84 28.32 59.26 139.03 2 0 1000.00 -999 ? >ALA.B 194 26.90 58.66 133.66 26.60 60.01 133.04 26.75 59.33 133.35 2 0 1000.00 -999 ? >SER~B 195 30.62 57.94 133.38 31.95 59.76 134.17 31.29 58.85 133.78 2 0 1000.00 -999 ? >PHE~B 196 34.58 53.57 135.38 36.28 52.36 137.23 35.43 52.97 136.30 3 0 1000.00 -999 ? >ALA~B 197 35.19 58.23 136.04 35.63 59.32 135.11 35.41 58.78 135.57 2 0 1000.00 -999 ? >ALA~B 199 31.57 56.83 139.58 31.16 55.56 138.85 31.37 56.20 139.21 2 0 1000.00 -999 ? >LYS~B 200 35.14 56.00 140.62 40.24 54.89 141.18 37.69 55.45 140.90 2 0 1000.00 -999 ? >ASN~B 201 35.48 60.78 141.27 36.76 60.98 139.59 36.12 60.88 140.43 2 0 1000.00 -999 ? >ASP~B 202 31.16 58.86 143.66 30.24 60.56 142.87 30.70 59.71 143.27 2 0 1000.00 -999 ? >TRP~B 203 35.93 53.13 145.17 33.50 50.53 146.81 34.72 51.83 145.99 3 0 1000.00 -999 ? >ASP~B 204 38.22 57.16 145.09 38.79 55.73 143.67 38.51 56.45 144.38 2 0 1000.00 -999 ? >GLU~B 205 36.06 62.28 147.97 34.66 63.00 149.37 35.36 62.64 148.67 2 0 1000.00 -999 ? >ARG~B 206 30.17 59.31 149.20 28.43 59.30 146.69 29.30 59.31 147.95 2 0 1000.00 -999 ? >LYS~B 207 35.13 54.78 150.85 39.82 52.41 147.35 37.48 53.60 149.10 2 0 1000.00 -999 ? >THR~B 208 37.30 56.71 153.31 38.07 58.53 152.39 37.69 57.62 152.85 2 0 1000.00 -999 ? >ARG~B 209 32.27 60.17 153.57 31.15 61.93 151.35 31.71 61.05 152.46 2 0 1000.00 -999 ? >ILE~B 210 33.85 52.57 155.61 33.64 51.25 155.03 33.74 51.91 155.32 3 0 1000.00 -999 ? >ASN~B 211 32.16 54.63 160.74 32.06 54.41 162.85 32.11 54.52 161.80 2 0 1000.00 -999 ? >LYS~B 212 33.68 50.01 161.09 35.85 45.84 158.00 34.76 47.93 159.55 2 0 1000.00 -999 ? >LYS~B 213 32.63 50.93 164.61 37.12 52.20 168.59 34.88 51.56 166.60 2 0 1000.00 -999 ? >ASN.B 214 28.54 52.70 163.78 26.43 52.61 164.10 27.49 52.65 163.94 2 0 1000.00 -999 ? >LEU^B 215 29.15 48.13 159.79 31.16 48.34 159.01 30.15 48.24 159.40 3 0 1000.00 -999 ? >PHE^B 216 22.23 48.83 159.22 19.69 47.72 158.86 20.96 48.28 159.04 3 0 1000.00 -999 ? >VAL^B 217 24.51 45.61 156.57 26.05 44.13 156.19 25.28 44.87 156.38 3 0 1000.00 -999 ? >LYS^B 218 21.40 45.37 154.47 17.97 46.51 150.04 19.68 45.94 152.25 2 0 1000.00 -999 ? >MET?B 219 20.58 43.01 151.64 22.60 39.34 150.68 21.59 41.18 151.16 2 0 1000.00 -999 ? >LEU^B 220 16.93 43.38 148.78 14.96 43.38 147.90 15.94 43.38 148.34 3 0 1000.00 -999 ? >ILE.B 221 17.46 37.44 149.24 18.41 36.32 149.39 17.94 36.88 149.32 3 0 1000.00 -999 ? >LYS.B 222 13.78 38.56 146.31 12.17 42.37 142.16 12.97 40.47 144.23 2 0 1000.00 -999 ? >ASP.B 223 14.50 34.54 143.79 16.57 34.74 144.09 15.53 34.64 143.94 2 0 1000.00 -999 ? >ASP.B 224 12.61 30.58 146.32 12.37 29.11 147.81 12.49 29.84 147.07 2 0 1000.00 -999 ? >ASN~B 225 17.98 32.21 147.03 20.05 31.71 146.93 19.02 31.96 146.98 2 0 1000.00 -999 ? >GLU~B 226 17.01 28.37 153.29 16.06 26.64 153.99 16.53 27.50 153.64 2 0 1000.00 -999 ? >LEU~B 228 21.51 33.40 149.14 22.86 34.86 148.34 22.19 34.13 148.74 3 0 1000.00 -999 ? >VAL~B 229 19.73 33.71 153.16 17.60 33.94 153.36 18.67 33.82 153.26 3 0 1000.00 -999 ? >ARG~B 231 26.12 31.43 151.00 28.62 32.50 149.61 27.37 31.97 150.31 2 0 1000.00 -999 ? >PHE~B 232 22.49 38.35 154.83 22.53 41.05 155.57 22.51 39.70 155.20 3 0 1000.00 -999 ? >ASP~B 233 21.27 34.11 158.82 20.64 34.04 160.83 20.95 34.08 159.82 2 0 1000.00 -999 ? >ASN~B 234 26.37 32.54 158.80 24.98 30.93 158.78 25.68 31.74 158.79 2 0 1000.00 -999 ? >LEU.B 235 27.30 38.14 157.80 27.57 38.18 155.64 27.44 38.16 156.72 3 0 1000.00 -999 ? >PRO.B 236 31.50 37.69 160.48 29.43 38.14 161.13 30.46 37.92 160.81 3 0 1000.00 -999 ? >TYR.B 237 28.65 42.39 159.09 30.66 42.29 157.18 29.66 42.34 158.13 3 0 1000.00 -999 ? >ASN.B 239 24.03 46.19 163.30 22.32 47.32 163.79 23.17 46.75 163.54 2 0 1000.00 -999 ? >LYS^B 240 22.20 43.38 159.80 24.01 38.83 161.36 23.11 41.10 160.58 2 0 1000.00 -999 ? >VAL^B 241 18.95 42.71 158.00 17.36 44.15 157.70 18.16 43.43 157.85 3 0 1000.00 -999 ? >CYH^B 242 17.88 40.89 154.86 18.15 38.70 153.14 18.01 39.80 154.00 2 0 1000.00 -999 ? >PHE^B 243 14.66 44.47 153.21 14.95 46.72 154.86 14.80 45.60 154.04 3 0 1000.00 -999 ? >HIS.B 244 13.27 36.40 151.96 13.55 34.74 150.70 13.41 35.57 151.33 3 0 1000.00 -999 ? >PRO.B 245 10.45 38.16 148.42 9.93 38.21 150.56 10.19 38.18 149.49 3 0 1000.00 -999 ? >LYS.B 246 8.32 35.64 153.13 11.41 31.32 151.55 9.86 33.48 152.34 2 0 1000.00 -999 ? >PRO.B 247 6.88 34.18 156.94 8.77 35.04 156.13 7.82 34.61 156.53 3 0 1000.00 -999 ? >MET?B 248 12.03 32.65 157.56 13.25 32.11 154.11 12.64 32.38 155.83 2 0 1000.00 -999 ? >LYS.B 249 13.43 31.01 160.65 15.75 26.65 158.40 14.59 28.83 159.53 2 0 1000.00 -999 ? >TYR.B 250 17.65 31.92 158.38 18.20 29.44 157.25 17.92 30.68 157.81 3 0 1000.00 -999 ? >LYS.B 251 16.53 36.28 162.48 17.24 34.78 168.58 16.89 35.53 165.53 2 0 1000.00 -999 ? >SER.B 252 18.38 38.42 159.94 19.62 36.89 158.55 19.00 37.66 159.24 2 0 1000.00 -999 ? >VAL^B 253 15.34 38.24 157.65 14.57 36.61 156.44 14.96 37.43 157.04 3 0 1000.00 -999 ? >ALA^B 254 12.71 40.98 157.61 13.27 42.39 157.54 12.99 41.69 157.58 2 0 1000.00 -999 ? >PHE.B 255 7.43 38.50 155.79 4.91 38.31 154.61 6.17 38.41 155.20 3 0 1000.00 -999 ? >PHE~B 256 8.45 44.75 155.58 10.76 45.91 156.62 9.61 45.33 156.10 3 0 1000.00 -999 ? >PRO~B 257 3.39 41.07 157.88 3.77 41.89 155.86 3.58 41.48 156.87 3 0 1000.00 -999 ? >ARG~B 258 1.58 48.81 154.75 -0.59 49.73 156.73 0.49 49.27 155.74 2 0 1000.00 -999 ? >TYR~B 259 5.99 43.43 149.88 6.67 42.53 147.33 6.33 42.98 148.60 3 0 1000.00 -999 ? >ILE~B 260 2.32 39.74 151.09 2.97 38.79 150.23 2.64 39.26 150.66 3 0 1000.00 -999 ? >TRP~B 261 -3.81 43.74 152.29 -3.78 47.31 150.66 -3.80 45.52 151.48 3 0 1000.00 -999 ? >ARG~B 262 2.50 48.58 147.76 5.28 48.86 146.50 3.89 48.72 147.13 2 0 1000.00 -999 ? >CYH~B 263 1.02 43.06 145.95 3.70 42.28 146.13 2.36 42.67 146.04 2 0 1000.00 -999 ? >ILE~B 264 -2.50 39.82 146.44 -1.93 38.81 147.46 -2.22 39.32 146.95 3 0 1000.00 -999 ? >ASN~B 265 -4.89 44.00 148.29 -5.46 42.05 148.92 -5.17 43.03 148.61 2 0 1000.00 -999 ? >TYR~B 266 -1.78 49.67 146.51 -1.68 52.46 146.51 -1.73 51.06 146.51 3 0 1000.00 -999 ? >ALA.B 267 -5.10 49.20 143.37 -6.26 50.18 143.51 -5.68 49.69 143.44 2 0 1000.00 -999 ? >ALA.B 268 -2.57 51.70 142.02 -2.50 53.15 142.46 -2.54 52.42 142.24 2 0 1000.00 -999 ? >ARG.B 269 -0.25 45.40 142.49 -3.05 44.18 142.35 -1.65 44.79 142.42 2 0 1000.00 -999 ? >THR.B 270 2.97 49.48 139.84 4.58 50.94 139.65 3.78 50.21 139.75 2 0 1000.00 -999 ? >SER.B 271 4.19 45.90 140.09 6.16 44.42 140.12 5.18 45.16 140.10 2 0 1000.00 -999 ? >ASN.B 272 2.12 41.68 140.90 3.08 40.91 139.15 2.60 41.29 140.03 2 0 1000.00 -999 ? >SER.B 273 6.47 41.87 142.89 6.95 40.82 140.75 6.71 41.34 141.82 2 0 1000.00 -999 ? >ASN~B 274 8.44 46.13 142.76 6.54 47.04 143.13 7.49 46.59 142.94 2 0 1000.00 -999 ? >LEU~B 275 10.69 43.08 147.62 10.65 42.83 149.76 10.67 42.96 148.69 3 0 1000.00 -999 ? >GLU~B 276 13.07 46.90 143.55 11.81 45.35 142.86 12.44 46.13 143.21 2 0 1000.00 -999 ? >GLN~B 277 8.14 49.77 144.65 7.60 51.74 145.31 7.87 50.75 144.98 2 0 1000.00 -999 ? >TYR~B 278 7.21 47.66 150.08 5.74 47.78 152.45 6.48 47.72 151.26 3 0 1000.00 -999 ? >THR~B 279 11.68 48.71 150.78 12.73 46.85 150.45 12.20 47.78 150.62 2 0 1000.00 -999 ? >MET?B 280 13.17 51.85 149.27 15.91 51.13 146.16 14.54 51.49 147.72 2 0 1000.00 -999 ? >ASP~B 281 8.67 53.40 148.87 7.23 54.94 148.72 7.95 54.17 148.80 2 0 1000.00 -999 ? >MET?B 282 10.22 55.50 152.97 13.36 55.51 153.67 11.79 55.51 153.32 2 0 1000.00 -999 ? >SER~B 283 6.46 55.89 152.93 4.46 57.00 152.36 5.46 56.45 152.65 2 0 1000.00 -999 ? >TRP~B 284 5.22 52.55 149.59 1.64 50.96 149.97 3.43 51.75 149.78 3 0 1000.00 -999 ? >LEU~B 285 10.47 51.75 154.46 12.17 50.92 155.49 11.32 51.33 154.97 3 0 1000.00 -999 ? >GLU~B 286 6.68 55.54 157.04 6.35 57.58 157.49 6.51 56.56 157.27 2 0 1000.00 -999 ? >LYS~B 287 4.80 51.71 158.06 1.42 55.09 155.20 3.11 53.40 156.63 2 0 1000.00 -999 ? >SER~B 288 6.17 48.17 157.95 5.61 47.35 155.75 5.89 47.76 156.85 2 0 1000.00 -999 ? >CYH~B 289 8.96 48.98 160.44 11.42 49.31 159.19 10.19 49.15 159.82 2 0 1000.00 -999 ? >ASP~B 290 10.68 51.13 164.30 11.23 52.81 165.42 10.95 51.97 164.86 2 0 1000.00 -999 ? >ILE~B 291 13.70 53.77 159.75 13.77 54.24 158.42 13.74 54.00 159.09 3 0 1000.00 -999 ? >LEU~B 292 14.87 55.36 164.69 15.36 57.43 164.20 15.11 56.39 164.44 3 0 1000.00 -999 ? >MET?B 294 16.28 49.01 163.22 15.37 47.88 159.23 15.82 48.44 161.23 2 0 1000.00 -999 ? >LEU~B 295 19.26 52.58 161.93 18.73 52.76 159.83 18.99 52.67 160.88 3 0 1000.00 -999 ? >CYH~B 296 20.15 51.28 166.16 19.46 53.77 167.13 19.80 52.53 166.64 2 0 1000.00 -999 ? >GLY~B 297 20.19 47.52 165.87 19.74 47.96 166.36 19.97 47.74 166.12 1 0 1000.00 -999 ? >GLU~B 298 17.67 49.00 169.91 16.75 50.77 170.61 17.21 49.88 170.26 2 0 1000.00 -999 ? >ASP~B 300 11.33 44.97 169.08 11.98 46.96 169.61 11.66 45.97 169.34 2 0 1000.00 -999 ? >PHE~B 301 13.80 46.32 163.26 14.74 44.26 161.63 14.27 45.29 162.44 3 0 1000.00 -999 ? >ILE~B 302 9.24 44.00 162.26 9.29 43.18 160.95 9.26 43.59 161.61 3 0 1000.00 -999 ? >ARG~B 303 5.87 50.81 163.37 3.52 52.61 162.66 4.69 51.71 163.01 2 0 1000.00 -999 ? >GLU~B 304 2.55 46.65 160.28 1.97 47.44 158.42 2.26 47.05 159.35 2 0 1000.00 -999 ? >LYS~B 305 3.73 40.97 162.12 7.22 39.34 166.77 5.48 40.15 164.45 2 0 1000.00 -999 ?