REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-JUL-08 3DQQ COMPND PUTATIVE TRNA SYNTHASE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; SOURCE 3 ORGANISM_TAXID: 602; SOURCE 4 STRAIN: LT2; SOURCE 5 GENE: YGBK, STM2917; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR R.ZHANG,M.GU,M.ZHOU,W.ANDERSON,A.JOACHIMIAK,CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS OF INFECTIOUS DISEASES (CSGID) >GLY.A 0 -70.84 81.34 24.96 -71.02 82.19 25.20 -70.93 81.77 25.08 1 0 1000.00 -999 ? >MET.A 1 -67.59 83.24 25.68 -65.10 84.83 28.04 -66.34 84.03 26.86 2 0 1000.00 -999 ? >LEU.A 2 -67.33 86.21 22.05 -67.12 86.50 19.93 -67.23 86.35 20.99 3 0 1000.00 -999 ? >LYS.A 3 -62.71 86.35 23.60 -61.40 81.39 25.89 -62.05 83.87 24.75 2 0 1000.00 -999 ? >ILE^A 4 -60.11 87.65 19.86 -58.68 87.72 19.81 -59.40 87.69 19.84 3 0 1000.00 -999 ? >GLY^A 5 -63.76 89.66 17.80 -62.91 89.92 17.86 -63.33 89.79 17.83 1 0 1000.00 -999 ? >VAL^A 6 -61.86 90.46 14.65 -60.16 89.41 13.87 -61.01 89.94 14.26 3 0 1000.00 -999 ? >ILE^A 7 -63.74 94.41 12.51 -64.71 95.36 12.81 -64.22 94.88 12.66 3 0 1000.00 -999 ? >ALA^A 8 -61.13 92.28 8.98 -60.81 90.81 8.71 -60.97 91.55 8.84 2 0 1000.00 -999 ? >ASP.A 9 -60.03 95.75 5.81 -58.01 95.27 5.15 -59.02 95.51 5.48 2 0 1000.00 -999 ? >ASP~A 10 -59.86 91.98 2.44 -58.18 90.57 2.76 -59.02 91.27 2.60 2 0 1000.00 -999 ? >PHE~A 11 -63.06 86.23 1.64 -63.88 83.59 1.88 -63.47 84.91 1.76 3 0 1000.00 -999 ? >THR~A 12 -58.39 86.48 2.22 -57.02 86.22 0.59 -57.70 86.35 1.41 2 0 1000.00 -999 ? >GLY~A 13 -57.00 88.23 5.28 -57.71 87.89 5.22 -57.35 88.06 5.25 1 0 1000.00 -999 ? >ALA~A 14 -60.08 87.38 7.34 -61.54 87.46 6.98 -60.81 87.42 7.16 2 0 1000.00 -999 ? >THR~A 15 -59.35 83.77 6.69 -59.83 82.70 4.80 -59.59 83.23 5.75 2 0 1000.00 -999 ? >ASP~A 16 -54.71 85.27 6.50 -52.58 85.03 6.85 -53.65 85.15 6.67 2 0 1000.00 -999 ? >ILE~A 17 -56.53 87.07 11.11 -57.21 88.01 11.94 -56.87 87.54 11.53 3 0 1000.00 -999 ? >ALA~A 18 -58.71 83.02 11.50 -60.00 82.74 10.80 -59.35 82.88 11.15 2 0 1000.00 -999 ? >SER~A 19 -56.29 80.37 10.55 -54.88 79.01 9.23 -55.59 79.69 9.89 2 0 1000.00 -999 ? >PHE~A 20 -51.79 83.16 11.84 -49.74 83.19 9.97 -50.76 83.17 10.90 3 0 1000.00 -999 ? >LEU~A 21 -57.35 82.49 15.93 -57.54 84.60 16.41 -57.44 83.55 16.17 3 0 1000.00 -999 ? >VAL~A 22 -56.96 78.09 15.09 -58.53 77.08 14.01 -57.75 77.59 14.55 3 0 1000.00 -999 ? >GLU~A 23 -52.95 77.03 12.05 -53.19 74.92 11.85 -53.07 75.98 11.95 2 0 1000.00 -999 ? >ASN~A 24 -51.96 79.89 17.95 -50.28 80.05 16.68 -51.12 79.97 17.31 2 0 1000.00 -999 ? >GLY.A 25 -55.44 76.93 19.83 -55.69 77.53 19.43 -55.57 77.23 19.63 1 0 1000.00 -999 ? >MET.A 26 -58.45 79.23 19.54 -58.79 83.30 20.56 -58.62 81.26 20.05 2 0 1000.00 -999 ? >PRO.A 27 -61.65 76.32 19.55 -60.95 77.88 18.19 -61.30 77.10 18.87 3 0 1000.00 -999 ? >THR^A 28 -62.78 80.31 15.31 -61.24 81.75 14.91 -62.01 81.03 15.11 2 0 1000.00 -999 ? >VAL^A 29 -65.75 80.89 13.03 -67.82 80.51 13.24 -66.79 80.70 13.14 3 0 1000.00 -999 ? >GLN^A 30 -64.57 84.43 7.92 -63.11 84.22 6.33 -63.84 84.32 7.12 2 0 1000.00 -999 ? >ILE^A 31 -69.68 85.71 10.19 -70.91 85.64 10.99 -70.29 85.67 10.59 3 0 1000.00 -999 ? >ASN^A 32 -68.63 86.41 4.53 -67.02 84.99 4.64 -67.83 85.70 4.59 2 0 1000.00 -999 ? >ASP.A 33 -71.68 90.41 5.11 -72.34 92.36 4.40 -72.01 91.39 4.75 2 0 1000.00 -999 ? >VAL.A 34 -71.99 91.89 9.22 -72.58 93.85 9.91 -72.28 92.87 9.56 3 0 1000.00 -999 ? >PRO.A 35 -71.55 88.92 12.26 -73.14 89.57 10.88 -72.34 89.25 11.57 3 0 1000.00 -999 ? >THR.A 36 -77.31 88.82 11.23 -77.72 88.28 9.16 -77.51 88.55 10.19 2 0 1000.00 -999 ? >GLY.A 37 -77.56 85.82 13.50 -77.12 86.44 13.75 -77.34 86.13 13.62 1 0 1000.00 -999 ? >THR.A 38 -76.48 84.89 16.96 -77.48 83.07 17.70 -76.98 83.98 17.33 2 0 1000.00 -999 ? >GLN.A 39 -70.86 83.79 19.46 -69.91 83.65 21.35 -70.38 83.72 20.40 2 0 1000.00 -999 ? >PRO.A 40 -71.23 81.76 14.79 -72.25 81.32 16.70 -71.74 81.54 15.74 3 0 1000.00 -999 ? >GLU.A 41 -73.84 76.85 19.24 -75.10 75.27 19.86 -74.47 76.06 19.55 2 0 1000.00 -999 ? >GLY.A 42 -68.20 75.95 19.00 -68.21 76.70 18.97 -68.21 76.32 18.99 1 0 1000.00 -999 ? >CYH.A 43 -65.76 78.89 18.89 -67.28 80.67 17.49 -66.52 79.78 18.19 2 0 1000.00 -999 ? >ASP.A 44 -62.64 80.98 21.84 -62.88 79.17 22.94 -62.76 80.08 22.39 2 0 1000.00 -999 ? >ALA^A 45 -63.10 83.92 18.33 -61.68 83.95 17.83 -62.39 83.94 18.08 2 0 1000.00 -999 ? >VAL^A 46 -65.26 85.30 15.54 -67.43 85.37 15.52 -66.34 85.34 15.53 3 0 1000.00 -999 ? >VAL^A 47 -63.66 86.92 12.50 -61.70 86.53 11.72 -62.68 86.73 12.11 3 0 1000.00 -999 ? >ILE^A 48 -66.92 90.29 11.25 -67.97 90.89 11.79 -67.44 90.59 11.52 3 0 1000.00 -999 ? >SER^A 49 -65.02 89.73 6.98 -63.92 88.87 5.07 -64.47 89.30 6.02 2 0 1000.00 -999 ? >LEU.A 50 -65.90 94.26 6.18 -67.27 94.58 7.88 -66.58 94.42 7.03 3 0 1000.00 -999 ? >LYS.A 51 -65.09 94.63 1.91 -69.02 91.09 -0.97 -67.05 92.86 0.47 2 0 1000.00 -999 ? >THR.A 52 -63.77 97.76 3.44 -64.69 97.27 5.34 -64.23 97.51 4.39 2 0 1000.00 -999 ? >ARG.A 53 -56.93 96.22 1.28 -55.83 93.62 2.39 -56.38 94.92 1.83 2 0 1000.00 -999 ? >SER.A 54 -60.73 100.33 -0.60 -59.14 99.03 -1.81 -59.94 99.68 -1.21 2 0 1000.00 -999 ? >CYH.A 55 -64.31 101.54 -0.54 -65.30 100.65 1.80 -64.81 101.10 0.63 2 0 1000.00 -999 ? >PRO~A 56 -66.79 105.14 -0.99 -65.09 104.46 0.31 -65.94 104.80 -0.34 3 0 1000.00 -999 ? >ALA~A 57 -64.17 105.84 4.28 -63.48 107.09 4.73 -63.82 106.46 4.51 2 0 1000.00 -999 ? >GLN~A 58 -69.88 107.74 5.67 -69.30 108.20 7.76 -69.59 107.97 6.71 2 0 1000.00 -999 ? >GLU~A 59 -69.49 101.16 2.26 -69.11 100.39 0.20 -69.30 100.77 1.23 2 0 1000.00 -999 ? >ALA~A 60 -65.89 101.45 5.85 -64.41 101.71 5.54 -65.15 101.58 5.70 2 0 1000.00 -999 ? >ILE~A 61 -66.86 104.73 9.38 -66.42 105.86 9.80 -66.64 105.30 9.59 3 0 1000.00 -999 ? >LYS~A 62 -70.46 102.21 8.85 -72.74 106.14 10.57 -71.60 104.18 9.71 2 0 1000.00 -999 ? >GLN~A 63 -69.75 97.96 5.53 -71.55 96.93 5.78 -70.65 97.45 5.65 2 0 1000.00 -999 ? >SER~A 64 -67.15 98.39 10.82 -65.10 98.89 9.66 -66.13 98.64 10.24 2 0 1000.00 -999 ? >LEU~A 65 -69.91 101.41 13.53 -68.63 103.03 14.36 -69.27 102.22 13.95 3 0 1000.00 -999 ? >ALA~A 66 -72.24 97.60 12.47 -72.82 97.41 11.11 -72.53 97.50 11.79 2 0 1000.00 -999 ? >ALA~A 67 -69.79 94.71 13.01 -68.47 94.50 12.30 -69.13 94.61 12.65 2 0 1000.00 -999 ? >LEU~A 68 -68.15 97.49 16.63 -67.01 98.07 18.39 -67.58 97.78 17.51 3 0 1000.00 -999 ? >VAL~A 69 -72.49 96.53 17.49 -74.32 97.76 17.18 -73.41 97.14 17.33 3 0 1000.00 -999 ? >TRP~A 70 -74.45 90.24 15.38 -71.49 87.75 15.95 -72.97 88.99 15.67 3 0 1000.00 -999 ? >LEU~A 71 -68.30 92.23 18.26 -66.92 91.25 16.93 -67.61 91.74 17.59 3 0 1000.00 -999 ? >LYS~A 72 -70.68 93.86 21.63 -68.96 99.98 21.94 -69.82 96.92 21.79 2 0 1000.00 -999 ? >LYS~A 73 -74.09 92.22 21.66 -77.55 94.54 18.15 -75.82 93.38 19.90 2 0 1000.00 -999 ? >GLN~A 74 -72.34 88.14 19.38 -74.40 87.92 19.50 -73.37 88.03 19.44 2 0 1000.00 -999 ? >GLY.A 75 -70.22 89.96 24.77 -69.91 89.92 24.05 -70.06 89.94 24.41 1 0 1000.00 -999 ? >CYH.A 76 -66.96 90.33 22.95 -65.29 91.07 20.94 -66.13 90.70 21.94 2 0 1000.00 -999 ? >GLN.A 77 -64.27 88.70 26.71 -64.72 89.27 28.68 -64.50 88.99 27.70 2 0 1000.00 -999 ? >GLN^A 78 -59.02 92.17 22.22 -57.14 91.45 22.91 -58.08 91.81 22.57 2 0 1000.00 -999 ? >VAL^A 79 -61.84 93.77 19.47 -63.51 95.04 18.88 -62.67 94.40 19.18 3 0 1000.00 -999 ? >TYR^A 80 -57.32 91.86 16.23 -54.75 91.51 15.30 -56.03 91.68 15.76 3 0 1000.00 -999 ? >PHE^A 81 -59.17 97.65 12.40 -59.34 98.95 9.91 -59.25 98.30 11.16 3 0 1000.00 -999 ? >LYS^A 82 -57.38 93.39 11.06 -55.02 90.75 7.55 -56.20 92.07 9.31 2 0 1000.00 -999 ? >TYR.A 83 -54.90 97.12 9.23 -53.43 97.98 11.42 -54.17 97.55 10.32 3 0 1000.00 -999 ? >CYH.A 84 -53.21 94.27 5.68 -52.29 93.81 3.21 -52.75 94.04 4.44 2 0 1000.00 -999 ? >SER.A 85 -49.67 93.57 6.72 -48.25 91.99 7.55 -48.96 92.78 7.14 2 0 1000.00 -999 ? >THR.A 86 -48.31 96.03 4.18 -48.26 94.87 2.35 -48.29 95.45 3.26 2 0 1000.00 -999 ? >PHE.A 87 -50.19 100.56 7.30 -51.26 102.22 9.22 -50.73 101.39 8.26 3 0 1000.00 -999 ? >ASP.A 88 -53.22 97.75 1.69 -51.73 96.37 1.07 -52.47 97.06 1.38 2 0 1000.00 -999 ? >SER.A 89 -54.42 102.31 2.55 -53.02 102.94 4.37 -53.72 102.63 3.46 2 0 1000.00 -999 ? >THR.A 90 -54.14 105.83 1.17 -55.69 105.94 -0.39 -54.92 105.89 0.39 2 0 1000.00 -999 ? >ALA.A 91 -54.28 109.26 2.84 -53.71 110.54 2.38 -53.99 109.90 2.61 2 0 1000.00 -999 ? >GLU.A 92 -58.12 110.38 0.77 -59.00 111.05 -0.98 -58.56 110.71 -0.11 2 0 1000.00 -999 ? >GLY.A 93 -58.32 105.67 4.52 -57.86 105.57 3.85 -58.09 105.62 4.18 1 0 1000.00 -999 ? >ASN~A 94 -60.51 102.36 4.97 -61.55 103.22 3.36 -61.03 102.79 4.17 2 0 1000.00 -999 ? >ILE~A 95 -55.71 101.88 8.45 -54.66 100.96 8.61 -55.18 101.42 8.53 3 0 1000.00 -999 ? >GLY~A 96 -57.16 105.67 10.18 -57.81 105.26 9.86 -57.49 105.46 10.02 1 0 1000.00 -999 ? >PRO~A 97 -60.27 107.11 7.55 -60.15 106.32 9.63 -60.21 106.71 8.59 3 0 1000.00 -999 ? >VAL~A 98 -61.97 103.01 10.96 -62.51 101.15 9.94 -62.24 102.08 10.45 3 0 1000.00 -999 ? >THR~A 99 -59.54 102.99 13.90 -57.43 102.51 14.15 -58.48 102.75 14.02 2 0 1000.00 -999 ? >ASP~A 100 -60.50 107.72 14.53 -58.47 108.38 14.32 -59.48 108.05 14.42 2 0 1000.00 -999 ? >ALA~A 101 -64.26 105.35 14.83 -65.00 104.97 13.60 -64.63 105.16 14.22 2 0 1000.00 -999 ? >LEU~A 102 -62.94 100.87 16.38 -63.39 99.24 14.90 -63.16 100.05 15.64 3 0 1000.00 -999 ? >MET~A 103 -61.89 103.96 19.47 -57.94 105.18 18.55 -59.92 104.57 19.01 2 0 1000.00 -999 ? >VAL~A 104 -64.74 106.39 19.90 -65.45 108.29 19.08 -65.10 107.34 19.49 3 0 1000.00 -999 ? >ALA~A 105 -67.41 103.60 19.97 -67.79 102.69 18.89 -67.60 103.15 19.43 2 0 1000.00 -999 ? >LEU~A 106 -64.21 100.79 22.18 -64.36 98.73 21.47 -64.29 99.76 21.82 3 0 1000.00 -999 ? >ASP.A 107 -65.66 105.00 25.68 -65.39 106.77 26.87 -65.52 105.88 26.27 2 0 1000.00 -999 ? >THR.A 108 -60.90 104.30 24.39 -59.71 102.71 23.33 -60.31 103.50 23.86 2 0 1000.00 -999 ? >SER.A 109 -58.07 106.90 23.88 -59.04 108.58 25.19 -58.56 107.74 24.54 2 0 1000.00 -999 ? >PHE.A 110 -52.78 104.50 23.89 -50.14 104.00 23.17 -51.46 104.25 23.53 3 0 1000.00 -999 ? >THR^A 111 -54.50 101.80 20.65 -56.31 101.24 19.64 -55.40 101.52 20.14 2 0 1000.00 -999 ? >VAL^A 112 -51.74 99.86 19.08 -51.39 98.18 20.37 -51.56 99.02 19.72 3 0 1000.00 -999 ? >ILE^A 113 -50.51 100.56 14.62 -50.76 101.57 13.68 -50.64 101.06 14.15 3 0 1000.00 -999 ? >SER^A 114 -49.01 96.02 14.76 -47.95 94.27 16.02 -48.48 95.14 15.39 2 0 1000.00 -999 ? >PRO.A 115 -48.18 97.30 10.82 -48.65 95.36 11.72 -48.42 96.33 11.27 3 0 1000.00 -999 ? >ALA.A 116 -45.71 92.69 11.27 -44.59 92.69 12.30 -45.15 92.69 11.78 2 0 1000.00 -999 ? >LEU~A 117 -47.01 88.74 9.30 -48.10 86.92 9.32 -47.56 87.83 9.31 3 0 1000.00 -999 ? >PRO~A 118 -42.04 88.84 12.33 -42.79 88.24 10.33 -42.42 88.54 11.33 3 0 1000.00 -999 ? >VAL~A 119 -42.80 84.53 8.84 -44.03 82.71 9.12 -43.41 83.62 8.98 3 0 1000.00 -999 ? >ASN~A 120 -45.51 86.55 5.29 -46.84 84.90 5.32 -46.17 85.72 5.31 2 0 1000.00 -999 ? >GLY.A 121 -41.30 88.79 5.58 -42.00 88.96 5.87 -41.65 88.88 5.72 1 0 1000.00 -999 ? >ARG^A 122 -45.96 91.83 5.15 -46.34 90.01 2.79 -46.15 90.93 3.97 2 0 1000.00 -999 ? >THR^A 123 -41.08 93.28 9.89 -39.24 92.13 9.50 -40.16 92.71 9.69 2 0 1000.00 -999 ? >VAL^A 124 -41.19 96.60 11.62 -43.10 97.57 12.03 -42.14 97.08 11.83 3 0 1000.00 -999 ? >TYR^A 125 -35.64 98.28 13.45 -33.53 99.07 15.03 -34.58 98.67 14.24 3 0 1000.00 -999 ? >GLN.A 126 -35.76 102.13 14.89 -35.58 102.28 16.98 -35.67 102.21 15.93 2 0 1000.00 -999 ? >GLY.A 127 -41.71 102.14 13.17 -41.13 101.88 12.73 -41.42 102.01 12.95 1 0 1000.00 -999 ? >TYR^A 128 -38.79 103.34 9.31 -37.93 105.93 9.77 -38.36 104.64 9.54 3 0 1000.00 -999 ? >LEU^A 129 -43.68 98.83 7.23 -45.15 97.17 6.94 -44.42 98.00 7.09 3 0 1000.00 -999 ? >PHE^A 130 -37.91 96.78 6.90 -36.21 98.66 7.68 -37.06 97.72 7.29 3 0 1000.00 -999 ? >VAL^A 131 -41.11 93.93 3.05 -42.68 94.16 1.64 -41.90 94.05 2.34 3 0 1000.00 -999 ? >MET.A 132 -38.45 91.31 2.91 -40.13 88.75 1.68 -39.29 90.03 2.30 2 0 1000.00 -999 ? >ASN.A 133 -33.92 92.28 2.18 -34.07 91.90 0.14 -34.00 92.09 1.16 2 0 1000.00 -999 ? >HIS^A 134 -35.41 95.90 -0.51 -33.76 95.14 -1.58 -34.59 95.52 -1.05 3 0 1000.00 -999 ? >LEU^A 135 -37.95 100.74 3.16 -37.02 101.89 4.75 -37.48 101.32 3.96 3 0 1000.00 -999 ? >LEU.A 136 -43.11 99.99 2.81 -45.23 99.73 2.39 -44.17 99.86 2.60 3 0 1000.00 -999 ? >ALA~A 137 -41.52 102.07 -0.35 -41.43 103.52 0.06 -41.48 102.80 -0.15 2 0 1000.00 -999 ? >GLU~A 138 -36.86 101.78 -0.81 -34.87 102.09 -0.13 -35.87 101.93 -0.47 2 0 1000.00 -999 ? >SER~A 139 -40.51 97.09 -2.61 -42.45 96.93 -1.08 -41.48 97.01 -1.85 2 0 1000.00 -999 ? >GLY~A 140 -43.19 95.99 -5.07 -43.23 96.48 -4.42 -43.21 96.24 -4.74 1 0 1000.00 -999 ? >MET~A 141 -45.81 97.84 -2.96 -47.89 96.11 -1.33 -46.85 96.98 -2.15 2 0 1000.00 -999 ? >ARG~A 142 -41.20 102.30 -5.77 -40.05 105.07 -4.78 -40.63 103.68 -5.28 2 0 1000.00 -999 ? >HIS~A 143 -44.67 101.45 -9.16 -43.33 103.02 -9.62 -44.00 102.23 -9.39 3 0 1000.00 -999 ? >HIS~A 144 -50.83 97.68 -4.31 -52.45 96.40 -3.94 -51.64 97.04 -4.12 3 0 1000.00 -999 ? >PRO.A 145 -52.07 96.87 -8.86 -51.83 98.97 -8.08 -51.95 97.92 -8.47 3 0 1000.00 -999 ? >ILE.A 146 -55.88 99.42 -5.18 -56.30 98.72 -5.47 -56.09 99.07 -5.32 3 0 1000.00 -999 ? >ASN.A 147 -53.42 101.34 -1.59 -53.82 99.30 -1.38 -53.62 100.32 -1.49 2 0 1000.00 -999 ? >PRO.A 148 -50.20 104.22 -5.32 -49.94 102.41 -3.94 -50.07 103.32 -4.63 3 0 1000.00 -999 ? >MET.A 149 -47.08 102.92 -0.89 -49.83 101.76 0.88 -48.45 102.34 -0.01 2 0 1000.00 -999 ? >THR.A 150 -44.34 105.53 -1.31 -45.36 106.91 -2.67 -44.85 106.22 -1.99 2 0 1000.00 -999 ? >ASP.A 151 -44.14 107.24 2.97 -43.35 108.03 4.82 -43.74 107.63 3.89 2 0 1000.00 -999 ? >SER.A 152 -42.35 103.33 4.87 -40.66 102.64 3.23 -41.51 102.98 4.05 2 0 1000.00 -999 ? >TYR~A 153 -41.84 106.84 9.85 -41.35 107.47 12.53 -41.60 107.15 11.19 3 0 1000.00 -999 ? >LEU~A 154 -46.05 102.57 10.57 -46.35 100.55 9.73 -46.20 101.56 10.15 3 0 1000.00 -999 ? >PRO~A 155 -44.67 106.18 13.30 -46.28 106.22 11.76 -45.47 106.20 12.53 3 0 1000.00 -999 ? >ARG~A 156 -43.95 111.39 7.31 -41.15 110.09 7.50 -42.55 110.74 7.40 2 0 1000.00 -999 ? >LEU~A 157 -48.42 105.33 6.74 -47.40 104.60 4.98 -47.91 104.96 5.86 3 0 1000.00 -999 ? >MET~A 158 -51.09 106.70 9.98 -53.52 104.81 11.54 -52.31 105.76 10.76 2 0 1000.00 -999 ? >GLU~A 159 -49.65 110.93 12.76 -47.84 111.79 13.51 -48.75 111.36 13.14 2 0 1000.00 -999 ? >ALA~A 160 -51.96 111.37 7.18 -51.21 110.94 5.92 -51.59 111.15 6.55 2 0 1000.00 -999 ? >GLN.A 161 -55.31 106.89 6.65 -54.68 104.88 6.72 -54.99 105.89 6.68 2 0 1000.00 -999 ? >ALA.A 162 -56.07 109.65 11.13 -55.37 108.63 11.94 -55.72 109.14 11.53 2 0 1000.00 -999 ? >GLN.A 163 -59.32 112.37 13.82 -60.88 112.60 15.26 -60.10 112.49 14.54 2 0 1000.00 -999 ? >GLY.A 164 -54.18 111.85 16.35 -53.90 111.63 15.63 -54.04 111.74 15.99 1 0 1000.00 -999 ? >ARG.A 165 -48.94 114.68 18.29 -47.75 114.11 21.10 -48.35 114.40 19.69 2 0 1000.00 -999 ? >CYH^A 166 -48.76 108.21 16.57 -48.58 105.98 15.03 -48.67 107.10 15.80 2 0 1000.00 -999 ? >GLY^A 167 -45.78 106.86 18.57 -46.15 106.33 18.05 -45.96 106.59 18.31 1 0 1000.00 -999 ? >VAL^A 168 -43.40 103.88 18.34 -42.07 103.81 16.59 -42.74 103.85 17.47 3 0 1000.00 -999 ? >ILE^A 169 -43.27 100.06 21.42 -43.28 100.48 22.83 -43.28 100.27 22.13 3 0 1000.00 -999 ? >PRO~A 170 -38.01 101.40 20.81 -39.52 100.19 19.71 -38.76 100.79 20.26 3 0 1000.00 -999 ? >ALA~A 171 -37.70 96.22 19.22 -36.85 95.74 18.10 -37.27 95.98 18.66 2 0 1000.00 -999 ? >GLN~A 172 -33.06 97.90 20.99 -33.29 98.63 18.99 -33.18 98.27 19.99 2 0 1000.00 -999 ? >THR~A 173 -38.00 97.76 24.46 -39.22 99.47 24.87 -38.61 98.62 24.66 2 0 1000.00 -999 ? >LEU~A 174 -40.18 94.11 22.21 -41.98 94.98 21.31 -41.08 94.54 21.76 3 0 1000.00 -999 ? >ASP~A 175 -35.12 93.15 23.43 -35.29 92.44 21.37 -35.21 92.79 22.40 2 0 1000.00 -999 ? >GLU~A 176 -35.05 96.49 28.01 -35.07 98.67 28.03 -35.06 97.58 28.02 2 0 1000.00 -999 ? >GLY~A 177 -39.75 92.64 28.32 -39.86 93.38 28.17 -39.81 93.01 28.24 1 0 1000.00 -999 ? >VAL~A 178 -43.31 92.98 29.49 -44.84 91.53 29.99 -44.07 92.26 29.74 3 0 1000.00 -999 ? >ALA~A 179 -42.81 95.49 32.28 -42.05 95.26 33.56 -42.43 95.37 32.92 2 0 1000.00 -999 ? >ALA~A 180 -40.64 97.74 30.08 -39.25 97.33 29.48 -39.94 97.54 29.78 2 0 1000.00 -999 ? >THR~A 181 -43.03 97.53 27.16 -43.21 96.18 25.51 -43.12 96.85 26.34 2 0 1000.00 -999 ? >ARG~A 182 -47.92 96.35 32.04 -46.82 96.69 34.93 -47.37 96.52 33.49 2 0 1000.00 -999 ? >ALA~A 183 -44.22 101.24 30.86 -42.92 101.19 31.62 -43.57 101.21 31.24 2 0 1000.00 -999 ? >ALA~A 184 -43.35 102.68 27.43 -42.43 102.04 26.41 -42.89 102.36 26.92 2 0 1000.00 -999 ? >LEU~A 185 -47.81 100.97 26.35 -48.04 99.63 24.64 -47.93 100.30 25.49 3 0 1000.00 -999 ? >SER~A 186 -48.25 104.24 29.35 -48.48 102.70 31.19 -48.37 103.47 30.27 2 0 1000.00 -999 ? >ARG~A 187 -41.83 107.46 29.15 -40.72 104.58 28.75 -41.28 106.02 28.95 2 0 1000.00 -999 ? >LEU~A 188 -46.92 106.36 24.01 -45.22 105.95 22.73 -46.07 106.15 23.37 3 0 1000.00 -999 ? >GLN~A 189 -52.51 106.82 27.10 -53.45 105.02 27.69 -52.98 105.92 27.39 2 0 1000.00 -999 ? >GLN~A 190 -48.94 109.45 31.60 -47.48 108.11 32.74 -48.21 108.78 32.17 2 0 1000.00 -999 ? >GLU~A 191 -45.05 111.66 26.54 -43.34 110.70 25.65 -44.20 111.18 26.10 2 0 1000.00 -999 ? >GLY.A 192 -50.83 112.44 24.32 -50.35 111.92 24.14 -50.59 112.18 24.23 1 0 1000.00 -999 ? >TYR.A 193 -47.89 109.58 21.07 -45.51 110.80 20.53 -46.70 110.19 20.80 3 0 1000.00 -999 ? >ARG.A 194 -56.66 109.18 19.40 -59.57 108.70 18.97 -58.12 108.94 19.19 2 0 1000.00 -999 ? >TYR^A 195 -53.06 106.08 16.70 -54.93 107.87 15.60 -53.99 106.97 16.15 3 0 1000.00 -999 ? >ALA^A 196 -48.47 103.35 19.06 -48.22 102.86 20.49 -48.35 103.10 19.78 2 0 1000.00 -999 ? >VAL^A 197 -46.75 101.36 16.36 -46.18 101.73 14.27 -46.46 101.55 15.31 3 0 1000.00 -999 ? >LEU^A 198 -46.11 97.20 18.34 -47.43 97.76 19.92 -46.77 97.48 19.13 3 0 1000.00 -999 ? >ASP.A 199 -40.53 97.09 16.71 -39.93 99.09 16.07 -40.23 98.09 16.39 2 0 1000.00 -999 ? >ALA.A 200 -41.48 93.03 15.45 -42.80 92.34 15.32 -42.14 92.69 15.39 2 0 1000.00 -999 ? >LEU.A 201 -37.10 91.61 14.20 -36.32 93.68 14.29 -36.71 92.65 14.25 3 0 1000.00 -999 ? >ASN~A 202 -38.22 87.28 15.50 -37.78 88.20 17.33 -38.00 87.74 16.42 2 0 1000.00 -999 ? >GLU~A 203 -42.20 83.09 16.74 -43.25 81.34 15.96 -42.72 82.22 16.35 2 0 1000.00 -999 ? >ARG~A 204 -37.67 86.26 22.23 -36.28 88.90 21.20 -36.98 87.58 21.71 2 0 1000.00 -999 ? >HIS~A 205 -39.70 91.21 18.63 -37.70 91.81 18.60 -38.70 91.51 18.62 3 0 1000.00 -999 ? >LEU~A 206 -45.65 88.42 17.48 -45.93 89.48 15.61 -45.79 88.95 16.54 3 0 1000.00 -999 ? >GLU~A 207 -44.77 84.44 21.02 -43.50 82.75 21.53 -44.13 83.59 21.27 2 0 1000.00 -999 ? >ILE~A 208 -42.97 90.35 23.93 -41.69 90.62 24.33 -42.33 90.48 24.13 3 0 1000.00 -999 ? >GLN~A 209 -45.93 93.24 20.36 -46.21 93.48 18.23 -46.07 93.36 19.30 2 0 1000.00 -999 ? >GLY~A 210 -49.58 89.37 22.93 -49.05 89.75 23.47 -49.31 89.56 23.20 1 0 1000.00 -999 ? >GLU~A 211 -47.22 88.29 28.52 -45.59 87.02 29.05 -46.40 87.65 28.78 2 0 1000.00 -999 ? >VAL~A 212 -48.63 92.86 27.08 -47.12 94.39 26.78 -47.87 93.63 26.93 3 0 1000.00 -999 ? >LEU~A 213 -51.86 93.77 23.81 -50.93 95.55 22.95 -51.40 94.66 23.38 3 0 1000.00 -999 ? >ARG~A 214 -54.39 87.58 29.12 -54.15 88.21 32.09 -54.27 87.89 30.61 2 0 1000.00 -999 ? >ASP.A 215 -56.64 92.98 29.38 -56.40 91.15 30.37 -56.52 92.07 29.87 2 0 1000.00 -999 ? >ALA.A 216 -56.49 95.82 25.58 -55.47 96.14 24.50 -55.98 95.98 25.04 2 0 1000.00 -999 ? >PRO.A 217 -59.91 98.46 26.06 -59.43 96.68 24.85 -59.67 97.57 25.45 3 0 1000.00 -999 ? >LEU^A 218 -59.62 98.62 20.43 -59.92 99.17 18.34 -59.77 98.90 19.39 3 0 1000.00 -999 ? >VAL^A 219 -55.94 96.33 19.14 -54.89 94.59 19.87 -55.41 95.46 19.51 3 0 1000.00 -999 ? >THR^A 220 -55.10 96.69 15.41 -55.21 98.90 15.32 -55.16 97.80 15.36 2 0 1000.00 -999 ? >GLY^A 221 -52.69 95.00 13.05 -53.44 94.83 12.81 -53.07 94.92 12.93 1 0 1000.00 -999 ? >GLY~A 222 -52.23 92.15 10.65 -52.22 92.10 11.50 -52.23 92.13 11.07 1 0 1000.00 -999 ? >SER~A 223 -52.23 88.49 11.58 -53.24 87.46 9.63 -52.74 87.97 10.61 2 0 1000.00 -999 ? >GLY~A 224 -49.00 88.48 13.60 -49.70 88.73 13.86 -49.35 88.60 13.73 1 0 1000.00 -999 ? >LEU~A 225 -50.78 91.44 17.01 -50.86 92.43 18.94 -50.82 91.94 17.97 3 0 1000.00 -999 ? >ALA~A 226 -53.29 87.66 16.73 -54.23 87.40 15.56 -53.76 87.53 16.14 2 0 1000.00 -999 ? >MET~A 227 -50.90 84.77 16.87 -47.17 83.52 15.73 -49.03 84.14 16.30 2 0 1000.00 -999 ? >GLY~A 228 -49.34 86.35 19.95 -50.14 86.22 19.81 -49.74 86.29 19.88 1 0 1000.00 -999 ? >LEU~A 229 -53.81 87.82 21.18 -53.90 89.98 21.48 -53.85 88.90 21.33 3 0 1000.00 -999 ? >ALA~A 230 -53.72 83.33 20.84 -53.77 82.64 19.52 -53.75 82.98 20.18 2 0 1000.00 -999 ? >ARG~A 231 -47.62 81.39 20.35 -46.04 80.86 17.79 -46.83 81.12 19.07 2 0 1000.00 -999 ? >GLN~A 232 -50.85 86.11 26.15 -49.65 85.55 27.80 -50.25 85.83 26.97 2 0 1000.00 -999 ? >TRP~A 233 -56.27 84.60 24.31 -57.50 85.61 27.87 -56.88 85.11 26.09 3 0 1000.00 -999 ? >ALA~A 234 -53.05 78.66 24.73 -52.10 78.48 23.50 -52.57 78.57 24.11 2 0 1000.00 -999 ? >LYS~A 235 -50.87 79.00 27.88 -46.74 83.90 28.47 -48.81 81.45 28.17 2 0 1000.00 -999 ? >HIS.A 236 -53.55 78.79 32.24 -52.52 79.84 33.74 -53.03 79.31 32.99 3 0 1000.00 -999 ? >GLY.A 237 -54.30 74.45 27.68 -54.47 75.20 27.41 -54.39 74.83 27.54 1 0 1000.00 -999 ? >VAL.A 238 -55.80 73.91 24.19 -54.02 74.48 22.90 -54.91 74.20 23.55 3 0 1000.00 -999 ? >SER.A 239 -57.46 71.03 22.16 -56.62 68.79 22.85 -57.04 69.91 22.50 2 0 1000.00 -999 ? >ARG~A 242 -56.42 71.53 13.56 -53.30 71.39 13.26 -54.86 71.46 13.41 2 0 1000.00 -999 ? >SER~A 243 -61.77 69.80 14.87 -61.33 68.29 16.66 -61.55 69.04 15.76 2 0 1000.00 -999 ? >ALA~A 244 -64.94 71.78 14.10 -65.45 72.91 14.89 -65.19 72.34 14.49 2 0 1000.00 -999 ? >GLY~A 245 -63.59 72.71 10.63 -63.29 72.05 10.97 -63.44 72.38 10.80 1 0 1000.00 -999 ? >TYR~A 246 -60.97 67.06 10.08 -59.46 65.15 8.81 -60.22 66.11 9.44 3 0 1000.00 -999 ? >PRO.A 247 -61.44 67.89 5.73 -63.15 68.46 7.07 -62.30 68.17 6.40 3 0 1000.00 -999 ? >LEU.A 248 -68.12 66.73 5.94 -69.43 67.92 7.11 -68.77 67.32 6.52 3 0 1000.00 -999 ? >SER.A 249 -67.18 62.78 4.63 -66.63 60.81 5.86 -66.90 61.80 5.25 2 0 1000.00 -999 ? >GLY.A 250 -68.41 62.51 1.10 -67.60 62.65 1.12 -68.01 62.58 1.11 1 0 1000.00 -999 ? >ARG.A 251 -66.39 61.93 -5.59 -68.39 60.78 -7.71 -67.39 61.35 -6.65 2 0 1000.00 -999 ? >ALA^A 252 -65.23 66.02 -3.46 -63.86 66.06 -2.84 -64.54 66.04 -3.15 2 0 1000.00 -999 ? >VAL^A 253 -64.85 68.17 -6.55 -66.41 69.45 -7.32 -65.63 68.81 -6.93 3 0 1000.00 -999 ? >VAL^A 254 -62.14 70.61 -7.68 -59.98 70.41 -7.76 -61.06 70.51 -7.72 3 0 1000.00 -999 ? >LEU^A 255 -64.85 74.40 -8.71 -66.87 73.55 -8.90 -65.86 73.98 -8.81 3 0 1000.00 -999 ? >SER^A 256 -60.78 75.89 -10.80 -58.45 75.95 -11.26 -59.62 75.92 -11.03 2 0 1000.00 -999 ? >GLY.A 257 -61.45 79.47 -12.04 -60.72 79.35 -11.74 -61.09 79.41 -11.89 1 0 1000.00 -999 ? >SER.A 258 -58.08 81.21 -11.46 -55.91 81.62 -10.20 -56.99 81.42 -10.83 2 0 1000.00 -999 ? >CYH.A 259 -55.89 82.35 -14.32 -56.48 85.33 -14.06 -56.18 83.84 -14.19 2 0 1000.00 -999 ? >SER~A 260 -52.67 82.43 -12.36 -52.88 81.34 -10.17 -52.77 81.88 -11.27 2 0 1000.00 -999 ? >GLN~A 261 -47.35 82.17 -14.01 -45.40 83.26 -14.11 -46.37 82.72 -14.06 2 0 1000.00 -999 ? >MET~A 262 -49.59 78.68 -9.76 -47.86 76.89 -7.52 -48.73 77.78 -8.64 2 0 1000.00 -999 ? >THR~A 263 -53.17 77.69 -10.46 -55.07 78.60 -10.10 -54.12 78.14 -10.28 2 0 1000.00 -999 ? >ASN~A 264 -51.20 77.58 -14.90 -52.45 78.78 -16.17 -51.82 78.18 -15.54 2 0 1000.00 -999 ? >GLN~A 265 -47.04 75.56 -12.22 -45.56 76.17 -10.81 -46.30 75.86 -11.51 2 0 1000.00 -999 ? >GLN~A 266 -51.69 74.17 -7.80 -52.36 75.89 -6.66 -52.02 75.03 -7.23 2 0 1000.00 -999 ? >VAL~A 267 -54.29 72.17 -12.86 -55.94 73.23 -13.83 -55.12 72.70 -13.34 3 0 1000.00 -999 ? >ALA~A 268 -51.57 70.80 -15.15 -50.38 71.55 -15.62 -50.97 71.18 -15.39 2 0 1000.00 -999 ? >PHE~A 269 -49.36 67.93 -10.03 -48.59 65.93 -8.21 -48.98 66.93 -9.12 3 0 1000.00 -999 ? >TYR~A 270 -55.88 67.51 -9.56 -57.92 66.14 -8.23 -56.90 66.83 -8.90 3 0 1000.00 -999 ? >ARG~A 271 -54.21 68.56 -17.50 -56.95 69.12 -18.82 -55.58 68.84 -18.16 2 0 1000.00 -999 ? >GLN.A 272 -50.79 64.55 -15.81 -48.81 65.18 -15.61 -49.80 64.86 -15.71 2 0 1000.00 -999 ? >HIS.A 273 -52.17 62.69 -10.30 -50.07 62.68 -10.30 -51.12 62.69 -10.30 3 0 1000.00 -999 ? >ALA.A 274 -57.96 62.65 -11.81 -58.34 63.56 -10.65 -58.15 63.11 -11.23 2 0 1000.00 -999 ? >PRO.A 275 -62.06 61.70 -12.81 -60.31 62.70 -13.81 -61.19 62.20 -13.31 3 0 1000.00 -999 ? >THR^A 276 -61.02 66.42 -15.57 -58.96 67.08 -15.45 -59.99 66.75 -15.51 2 0 1000.00 -999 ? >ARG^A 277 -65.59 66.99 -19.45 -68.04 68.15 -20.97 -66.81 67.57 -20.21 2 0 1000.00 -999 ? >ASP^A 278 -61.28 72.19 -20.47 -59.32 71.77 -19.86 -60.30 71.98 -20.17 2 0 1000.00 -999 ? >VAL.A 279 -65.01 74.60 -19.36 -65.81 75.87 -17.81 -65.41 75.23 -18.59 3 0 1000.00 -999 ? >ASP~A 280 -66.49 74.57 -24.01 -66.63 75.49 -25.95 -66.56 75.03 -24.98 2 0 1000.00 -999 ? >VAL~A 281 -66.73 79.20 -23.20 -65.45 80.91 -22.98 -66.09 80.05 -23.09 3 0 1000.00 -999 ? >ALA~A 282 -68.82 78.68 -26.39 -68.45 78.08 -27.74 -68.63 78.38 -27.06 2 0 1000.00 -999 ? >ARG~A 283 -70.64 73.12 -24.77 -69.92 72.12 -27.57 -70.28 72.62 -26.17 2 0 1000.00 -999 ? >CYH~A 284 -71.52 79.68 -21.49 -69.54 78.47 -20.02 -70.53 79.07 -20.76 2 0 1000.00 -999 ? >LEU.A 285 -72.21 82.64 -25.18 -70.08 82.65 -25.70 -71.14 82.64 -25.44 3 0 1000.00 -999 ? >SER~A 286 -76.25 82.51 -22.65 -77.52 81.02 -24.04 -76.88 81.77 -23.34 2 0 1000.00 -999 ? >SER~A 287 -78.61 81.54 -19.84 -79.67 83.40 -18.95 -79.14 82.47 -19.40 2 0 1000.00 -999 ? >GLU~A 288 -82.30 79.47 -22.65 -81.78 81.60 -22.57 -82.04 80.54 -22.61 2 0 1000.00 -999 ? >THR~A 289 -76.89 77.24 -22.61 -75.95 77.38 -24.50 -76.42 77.31 -23.56 2 0 1000.00 -999 ? >ARG~A 290 -73.86 81.00 -17.62 -75.17 83.56 -18.67 -74.52 82.28 -18.14 2 0 1000.00 -999 ? >GLU~A 291 -79.93 77.63 -16.38 -81.50 79.03 -16.91 -80.72 78.33 -16.64 2 0 1000.00 -999 ? >ALA~A 292 -77.96 73.04 -19.61 -78.37 72.94 -21.03 -78.16 72.99 -20.32 2 0 1000.00 -999 ? >TYR~A 293 -71.71 73.72 -20.35 -69.02 73.10 -20.85 -70.37 73.41 -20.60 3 0 1000.00 -999 ? >ALA~A 294 -74.12 73.21 -15.71 -74.78 74.32 -14.91 -74.45 73.76 -15.31 2 0 1000.00 -999 ? >GLU~A 295 -78.98 69.97 -15.48 -80.58 68.74 -16.25 -79.78 69.35 -15.86 2 0 1000.00 -999 ? >ALA~A 296 -74.30 68.25 -18.08 -73.95 68.61 -19.48 -74.13 68.43 -18.78 2 0 1000.00 -999 ? >LEU~A 297 -70.38 70.36 -16.07 -68.92 71.19 -17.51 -69.65 70.78 -16.79 3 0 1000.00 -999 ? >ALA~A 298 -72.70 68.12 -12.81 -73.87 68.79 -12.12 -73.29 68.46 -12.46 2 0 1000.00 -999 ? >GLN~A 299 -76.44 65.08 -14.90 -77.18 63.93 -13.21 -76.81 64.51 -14.05 2 0 1000.00 -999 ? >TRP~A 300 -68.10 63.72 -17.69 -65.13 65.05 -15.54 -66.61 64.38 -16.61 3 0 1000.00 -999 ? >VAL~A 301 -68.85 64.90 -12.16 -68.14 66.59 -10.96 -68.49 65.74 -11.56 3 0 1000.00 -999 ? >LEU~A 302 -72.86 63.11 -10.11 -73.67 64.57 -8.76 -73.26 63.84 -9.43 3 0 1000.00 -999 ? >SER~A 303 -71.12 59.87 -12.68 -71.11 60.45 -14.99 -71.11 60.16 -13.83 2 0 1000.00 -999 ? >GLN~A 304 -66.14 61.74 -13.19 -66.06 60.81 -15.07 -66.10 61.28 -14.13 2 0 1000.00 -999 ? >ASP.A 305 -66.67 55.69 -10.60 -66.03 53.96 -9.60 -66.35 54.82 -10.10 2 0 1000.00 -999 ? >SER.A 306 -62.23 57.56 -9.39 -62.35 59.94 -9.82 -62.29 58.75 -9.60 2 0 1000.00 -999 ? >GLU.A 307 -58.22 57.53 -4.59 -56.06 57.27 -4.63 -57.14 57.40 -4.61 2 0 1000.00 -999 ? >LEU.A 308 -58.20 62.05 -6.92 -56.26 62.11 -5.99 -57.23 62.08 -6.46 3 0 1000.00 -999 ? >ALA.A 309 -62.07 64.29 -7.03 -62.25 65.52 -6.11 -62.16 64.90 -6.57 2 0 1000.00 -999 ? >PRO.A 310 -64.86 63.81 -10.27 -62.98 64.93 -9.94 -63.92 64.37 -10.11 3 0 1000.00 -999 ? >MET^A 311 -61.88 68.67 -11.75 -58.27 70.58 -12.22 -60.07 69.63 -11.98 2 0 1000.00 -999 ? >ILE^A 312 -65.21 71.52 -13.57 -66.50 71.45 -14.01 -65.85 71.49 -13.79 3 0 1000.00 -999 ? >SER^A 313 -61.17 73.81 -14.84 -58.90 74.25 -15.52 -60.03 74.03 -15.18 2 0 1000.00 -999 ? >ALA.A 314 -61.63 77.11 -16.59 -62.58 78.10 -16.01 -62.10 77.60 -16.30 2 0 1000.00 -999 ? >THR.A 315 -57.91 77.84 -16.68 -56.81 76.70 -15.09 -57.36 77.27 -15.89 2 0 1000.00 -999 ? >ALA~A 316 -57.57 76.83 -20.42 -58.08 75.53 -21.04 -57.82 76.18 -20.73 2 0 1000.00 -999 ? >SER~A 317 -60.33 79.36 -21.26 -62.03 80.04 -19.57 -61.18 79.70 -20.42 2 0 1000.00 -999 ? >THR~A 318 -58.41 81.89 -19.04 -57.56 81.95 -17.01 -57.99 81.92 -18.03 2 0 1000.00 -999 ? >GLN~A 319 -53.95 80.13 -20.04 -52.21 81.39 -19.99 -53.08 80.76 -20.01 2 0 1000.00 -999 ? >ALA~A 320 -57.56 82.22 -24.82 -59.06 81.99 -24.92 -58.31 82.10 -24.87 2 0 1000.00 -999 ? >LEU~A 321 -57.01 87.20 -24.53 -56.37 89.26 -25.23 -56.69 88.23 -24.88 3 0 1000.00 -999 ? >ALA~A 322 -53.06 85.07 -25.16 -52.53 84.51 -23.83 -52.80 84.79 -24.50 2 0 1000.00 -999 ? >ALA~A 323 -53.45 82.06 -27.61 -54.51 80.97 -27.44 -53.98 81.51 -27.53 2 0 1000.00 -999 ? >ILE~A 324 -55.99 84.91 -30.66 -57.31 84.90 -30.75 -56.65 84.90 -30.71 3 0 1000.00 -999 ? >GLN~A 325 -54.39 89.56 -29.35 -55.62 90.39 -30.91 -55.01 89.97 -30.13 2 0 1000.00 -999 ? >GLN.A 326 -49.12 84.47 -29.79 -48.10 82.62 -30.00 -48.61 83.54 -29.90 2 0 1000.00 -999 ? >GLN.A 327 -50.17 91.52 -27.69 -50.63 92.20 -29.68 -50.40 91.86 -28.69 2 0 1000.00 -999 ? >TYR.A 328 -53.19 90.77 -24.66 -54.04 93.33 -25.51 -53.61 92.05 -25.08 3 0 1000.00 -999 ? >GLY.A 329 -50.99 86.64 -21.28 -51.73 87.06 -21.42 -51.36 86.85 -21.35 1 0 1000.00 -999 ? >ALA.A 330 -53.66 85.48 -18.88 -53.38 85.16 -17.42 -53.52 85.32 -18.15 2 0 1000.00 -999 ? >THR.A 331 -57.09 87.21 -18.64 -57.87 87.03 -20.71 -57.48 87.12 -19.67 2 0 1000.00 -999 ? >GLU.A 332 -59.27 88.84 -14.36 -59.31 89.96 -12.54 -59.29 89.40 -13.45 2 0 1000.00 -999 ? >ALA.A 333 -62.23 84.15 -15.70 -62.60 83.00 -14.79 -62.42 83.57 -15.24 2 0 1000.00 -999 ? >SER~A 334 -65.10 85.88 -17.47 -66.06 84.39 -19.02 -65.58 85.14 -18.24 2 0 1000.00 -999 ? >HIS~A 335 -70.68 87.94 -15.74 -72.68 87.65 -15.13 -71.68 87.79 -15.44 3 0 1000.00 -999 ? >ALA~A 336 -70.02 83.94 -18.17 -70.02 83.85 -19.68 -70.02 83.90 -18.92 2 0 1000.00 -999 ? >VAL~A 337 -67.69 81.31 -16.76 -65.72 80.51 -17.20 -66.71 80.91 -16.98 3 0 1000.00 -999 ? >GLU~A 338 -66.48 84.25 -12.42 -65.24 82.59 -11.68 -65.86 83.42 -12.05 2 0 1000.00 -999 ? >ALA~A 339 -72.07 82.41 -13.90 -72.83 83.14 -15.01 -72.45 82.77 -14.46 2 0 1000.00 -999 ? >LEU~A 340 -70.67 78.21 -16.07 -70.53 76.15 -16.74 -70.60 77.18 -16.40 3 0 1000.00 -999 ? >PHE~A 341 -67.11 77.85 -11.90 -64.83 76.61 -12.96 -65.97 77.23 -12.43 3 0 1000.00 -999 ? >SER~A 342 -72.44 79.42 -9.82 -74.05 80.97 -9.19 -73.24 80.19 -9.51 2 0 1000.00 -999 ? >LEU~A 343 -75.54 77.11 -12.70 -76.95 78.39 -13.69 -76.24 77.75 -13.19 3 0 1000.00 -999 ? >LEU~A 344 -71.31 74.17 -11.92 -70.30 72.39 -12.56 -70.80 73.28 -12.24 3 0 1000.00 -999 ? >ALA~A 345 -71.90 74.42 -7.50 -71.29 75.64 -6.80 -71.60 75.03 -7.15 2 0 1000.00 -999 ? >ALA~A 346 -75.56 74.44 -6.50 -76.66 75.42 -6.91 -76.11 74.93 -6.70 2 0 1000.00 -999 ? >ARG~A 347 -77.32 72.11 -12.14 -80.09 70.95 -12.96 -78.70 71.53 -12.55 2 0 1000.00 -999 ? >LEU~A 348 -71.73 69.94 -7.38 -70.43 69.45 -9.05 -71.08 69.70 -8.21 3 0 1000.00 -999 ? >ALA~A 349 -74.41 70.20 -3.72 -74.62 71.57 -3.04 -74.51 70.88 -3.38 2 0 1000.00 -999 ? >GLU~A 350 -79.50 71.02 -5.49 -79.87 72.03 -7.47 -79.68 71.53 -6.48 2 0 1000.00 -999 ? >GLY~A 351 -76.41 65.79 -5.99 -76.10 66.14 -5.33 -76.25 65.97 -5.66 1 0 1000.00 -999 ? >GLY.A 352 -74.46 65.13 -2.84 -74.10 65.57 -3.33 -74.28 65.35 -3.08 1 0 1000.00 -999 ? >ILE.A 353 -70.39 67.50 -4.48 -69.38 66.65 -4.91 -69.88 67.07 -4.70 3 0 1000.00 -999 ? >THR.A 354 -69.85 67.50 0.08 -69.48 66.13 1.73 -69.67 66.81 0.91 2 0 1000.00 -999 ? >ARG^A 355 -63.97 66.52 1.69 -62.71 64.03 0.39 -63.34 65.27 1.04 2 0 1000.00 -999 ? >PHE^A 356 -67.84 72.37 -3.12 -70.42 71.51 -3.81 -69.13 71.94 -3.46 3 0 1000.00 -999 ? >ILE^A 357 -60.81 71.43 -3.76 -59.79 70.52 -3.39 -60.30 70.97 -3.58 3 0 1000.00 -999 ? >VAL^A 358 -61.99 75.91 -5.26 -63.94 76.87 -5.23 -62.97 76.39 -5.24 3 0 1000.00 -999 ? >ALA^A 359 -59.18 77.86 -6.97 -58.23 77.17 -7.90 -58.70 77.52 -7.44 2 0 1000.00 -999 ? >GLY~A 360 -59.67 81.62 -7.53 -59.87 81.33 -6.75 -59.77 81.47 -7.14 1 0 1000.00 -999 ? >GLY~A 361 -60.92 84.49 -5.34 -61.25 84.22 -6.03 -61.09 84.36 -5.68 1 0 1000.00 -999 ? >GLU~A 362 -63.70 87.53 -9.00 -65.07 88.69 -7.75 -64.39 88.11 -8.38 2 0 1000.00 -999 ? >THR~A 363 -64.69 81.72 -8.05 -63.96 80.36 -9.53 -64.33 81.04 -8.79 2 0 1000.00 -999 ? >SER~A 364 -64.54 81.12 -4.28 -62.21 80.61 -3.73 -63.38 80.86 -4.00 2 0 1000.00 -999 ? >GLY~A 365 -66.92 83.99 -3.89 -66.99 83.32 -4.32 -66.95 83.65 -4.11 1 0 1000.00 -999 ? >VAL~A 366 -69.42 82.74 -6.39 -68.80 82.69 -8.53 -69.11 82.72 -7.46 3 0 1000.00 -999 ? >VAL~A 367 -69.31 79.15 -5.11 -68.07 77.37 -5.29 -68.69 78.26 -5.20 3 0 1000.00 -999 ? >THR~A 368 -69.86 80.27 -1.56 -68.75 81.05 0.10 -69.31 80.66 -0.73 2 0 1000.00 -999 ? >GLN~A 369 -73.99 84.60 -3.32 -74.10 86.47 -4.57 -74.05 85.53 -3.95 2 0 1000.00 -999 ? >SER~A 370 -74.21 79.89 -4.65 -74.38 78.22 -6.35 -74.29 79.06 -5.50 2 0 1000.00 -999 ? >LEU~A 371 -73.22 76.53 -1.36 -72.25 74.98 -2.51 -72.74 75.76 -1.94 3 0 1000.00 -999 ? >GLY.A 372 -75.72 80.22 0.36 -75.05 79.77 0.50 -75.39 80.00 0.43 1 0 1000.00 -999 ? >ILE.A 373 -71.68 79.09 2.66 -70.87 78.06 2.81 -71.27 78.58 2.74 3 0 1000.00 -999 ? >THR.A 374 -72.58 82.85 5.19 -74.19 83.85 6.23 -73.39 83.35 5.71 2 0 1000.00 -999 ? >GLY^A 375 -69.86 81.68 7.51 -70.22 81.01 7.18 -70.04 81.34 7.34 1 0 1000.00 -999 ? >PHE^A 376 -66.52 79.27 6.52 -65.24 81.13 4.91 -65.88 80.20 5.71 3 0 1000.00 -999 ? >HIS^A 377 -67.36 75.65 12.67 -69.04 75.77 13.91 -68.20 75.71 13.29 3 0 1000.00 -999 ? >ILE^A 378 -61.28 78.56 10.68 -60.96 79.28 9.38 -61.12 78.92 10.03 3 0 1000.00 -999 ? >GLY^A 379 -60.20 74.02 10.27 -59.77 74.68 9.98 -59.99 74.35 10.12 1 0 1000.00 -999 ? >PRO^A 380 -57.69 70.72 9.28 -57.39 72.89 9.64 -57.54 71.81 9.46 3 0 1000.00 -999 ? >CYH^A 381 -54.30 74.21 6.93 -53.21 76.32 7.81 -53.75 75.26 7.37 2 0 1000.00 -999 ? >ILE^A 382 -54.67 72.56 2.49 -55.69 72.07 1.81 -55.18 72.32 2.15 3 0 1000.00 -999 ? >SER^A 383 -51.12 75.35 2.84 -50.64 74.57 0.55 -50.88 74.96 1.70 2 0 1000.00 -999 ? >PRO.A 384 -48.15 78.19 4.21 -50.37 78.04 4.10 -49.26 78.12 4.16 3 0 1000.00 -999 ? >GLY.A 385 -53.54 80.89 4.24 -53.62 80.07 4.21 -53.58 80.48 4.23 1 0 1000.00 -999 ? >VAL^A 386 -55.69 78.05 2.98 -55.52 77.88 0.87 -55.61 77.97 1.92 3 0 1000.00 -999 ? >PRO^A 387 -58.43 77.98 6.29 -57.24 76.50 5.17 -57.83 77.24 5.73 3 0 1000.00 -999 ? >TRP^A 388 -58.91 70.35 4.41 -61.65 70.08 1.64 -60.28 70.21 3.02 3 0 1000.00 -999 ? >VAL^A 389 -63.56 75.25 6.41 -63.81 77.34 5.88 -63.68 76.30 6.14 3 0 1000.00 -999 ? >ASN^A 390 -67.24 72.86 8.44 -66.36 70.94 8.15 -66.80 71.90 8.30 2 0 1000.00 -999 ? >ALA^A 391 -70.24 75.80 6.54 -71.21 75.57 5.43 -70.72 75.68 5.98 2 0 1000.00 -999 ? >LEU.A 392 -72.51 78.10 10.23 -71.13 79.29 11.43 -71.82 78.69 10.83 3 0 1000.00 -999 ? >HIS.A 393 -76.53 77.82 9.30 -76.27 79.14 10.90 -76.40 78.48 10.10 3 0 1000.00 -999 ? >ALA.A 394 -75.14 73.47 5.17 -74.90 74.14 3.83 -75.02 73.80 4.50 2 0 1000.00 -999 ? >PRO.A 395 -75.25 69.18 4.61 -73.78 70.71 5.36 -74.52 69.94 4.98 3 0 1000.00 -999 ? >VAL.A 396 -70.53 71.34 3.13 -71.23 72.45 1.39 -70.88 71.90 2.26 3 0 1000.00 -999 ? >SER^A 397 -66.75 71.68 3.43 -66.48 69.79 4.94 -66.62 70.73 4.19 2 0 1000.00 -999 ? >LEU^A 398 -65.37 75.57 1.49 -67.48 75.97 1.14 -66.42 75.77 1.31 3 0 1000.00 -999 ? >ALA^A 399 -61.06 74.73 0.71 -60.14 73.58 0.52 -60.60 74.16 0.61 2 0 1000.00 -999 ? >LEU^A 400 -61.84 79.23 -0.49 -63.98 78.90 -0.39 -62.91 79.06 -0.44 3 0 1000.00 -999 ? >LYS^A 401 -57.61 79.10 -2.60 -53.84 78.79 -6.95 -55.73 78.94 -4.78 2 0 1000.00 -999 ? >SER.A 402 -56.70 82.49 -4.03 -57.37 84.78 -3.51 -57.03 83.63 -3.77 2 0 1000.00 -999 ? >GLY.A 403 -54.44 83.25 -7.08 -54.39 82.62 -6.61 -54.42 82.94 -6.85 1 0 1000.00 -999 ? >ASN.A 404 -49.67 82.98 -6.71 -49.65 83.42 -8.87 -49.66 83.20 -7.79 2 0 1000.00 -999 ? >PHE.A 405 -52.57 81.88 -1.15 -52.69 84.36 0.13 -52.63 83.12 -0.51 3 0 1000.00 -999 ? >GLY.A 406 -50.44 76.79 -2.51 -49.88 77.33 -2.81 -50.16 77.06 -2.66 1 0 1000.00 -999 ? >ASP.A 407 -47.20 73.52 -3.09 -48.59 72.10 -2.11 -47.90 72.81 -2.60 2 0 1000.00 -999 ? >GLU.A 408 -46.90 71.20 -9.24 -45.14 70.17 -9.92 -46.02 70.68 -9.58 2 0 1000.00 -999 ? >SER~A 409 -49.84 69.36 -5.52 -48.50 68.68 -3.67 -49.17 69.02 -4.60 2 0 1000.00 -999 ? >PHE~A 410 -53.91 73.39 -3.07 -55.99 74.42 -1.59 -54.95 73.91 -2.33 3 0 1000.00 -999 ? >PHE~A 411 -56.18 71.10 -7.09 -56.72 73.61 -8.16 -56.45 72.35 -7.63 3 0 1000.00 -999 ? >ILE~A 412 -52.83 65.55 -4.66 -52.35 64.23 -5.29 -52.59 64.89 -4.98 3 0 1000.00 -999 ? >ARG~A 413 -49.19 68.56 -0.31 -49.99 70.84 1.61 -49.59 69.70 0.65 2 0 1000.00 -999 ? >ALA~A 414 -56.27 68.84 0.11 -57.01 69.69 -0.89 -56.64 69.27 -0.39 2 0 1000.00 -999 ? >GLN~A 415 -59.12 65.50 -2.30 -59.42 64.86 -4.31 -59.27 65.18 -3.30 2 0 1000.00 -999 ? >ARG~A 416 -53.86 60.64 -1.57 -52.69 60.27 -4.41 -53.27 60.46 -2.99 2 0 1000.00 -999 ? >GLU~A 417 -51.38 65.23 3.36 -50.15 66.81 2.63 -50.77 66.02 2.99 2 0 1000.00 -999 ? >PHE.A 418 -56.80 67.26 5.28 -54.87 69.18 5.82 -55.84 68.22 5.55 3 0 1000.00 -999 ? >GLN.A 419 -57.07 60.23 5.02 -57.04 59.55 2.99 -57.05 59.89 4.00 2 0 1000.00 -999 ? >VAL.A 420 -62.04 60.43 7.37 -61.99 59.41 9.45 -62.01 59.92 8.41 3 0 1000.00 -999 ? >MET.B 1 2.21 90.36 17.84 3.72 92.21 20.66 2.96 91.28 19.25 2 0 1000.00 -999 ? >LEU.B 2 0.98 94.91 16.73 0.65 97.00 16.88 0.82 95.95 16.80 3 0 1000.00 -999 ? >LYS.B 3 -2.96 92.27 17.46 -3.91 89.35 22.41 -3.44 90.81 19.93 2 0 1000.00 -999 ? >ILE^B 4 -6.52 95.29 16.58 -7.91 95.25 16.64 -7.21 95.27 16.61 3 0 1000.00 -999 ? >GLY^B 5 -4.05 98.11 14.08 -4.82 97.82 13.94 -4.44 97.96 14.01 1 0 1000.00 -999 ? >VAL^B 6 -6.66 100.78 13.56 -8.32 100.99 14.89 -7.49 100.89 14.23 3 0 1000.00 -999 ? >ILE^B 7 -6.39 103.21 9.43 -5.46 103.23 8.28 -5.92 103.22 8.85 3 0 1000.00 -999 ? >ALA^B 8 -9.18 106.09 12.11 -9.29 106.43 13.56 -9.23 106.26 12.83 2 0 1000.00 -999 ? >ASP.B 9 -11.52 108.67 8.83 -13.52 108.79 9.51 -12.52 108.73 9.17 2 0 1000.00 -999 ? >ASP~B 10 -12.06 112.09 12.82 -13.18 111.46 14.57 -12.62 111.78 13.70 2 0 1000.00 -999 ? >PHE~B 11 -8.13 113.89 17.77 -6.84 114.14 20.22 -7.48 114.02 18.99 3 0 1000.00 -999 ? >THR~B 12 -12.37 112.14 18.42 -14.20 113.23 18.74 -13.28 112.68 18.58 2 0 1000.00 -999 ? >GLY~B 13 -13.30 108.76 17.01 -12.57 108.98 17.18 -12.94 108.87 17.09 1 0 1000.00 -999 ? >ALA~B 14 -9.71 107.46 17.17 -8.39 108.22 16.86 -9.05 107.84 17.02 2 0 1000.00 -999 ? >THR~B 15 -9.78 107.91 20.87 -9.58 110.08 21.57 -9.68 108.99 21.22 2 0 1000.00 -999 ? >ASP~B 16 -14.48 106.93 20.14 -16.43 106.43 20.93 -15.46 106.68 20.53 2 0 1000.00 -999 ? >ILE~B 17 -12.21 102.90 18.00 -11.58 102.30 16.88 -11.89 102.60 17.44 3 0 1000.00 -999 ? >ALA~B 18 -9.15 103.10 21.35 -8.19 104.29 21.44 -8.67 103.70 21.40 2 0 1000.00 -999 ? >SER~B 19 -11.18 103.35 24.51 -12.58 104.46 26.09 -11.88 103.90 25.30 2 0 1000.00 -999 ? >PHE~B 20 -15.69 100.97 22.54 -18.11 102.29 22.85 -16.90 101.63 22.70 3 0 1000.00 -999 ? >LEU~B 21 -9.30 98.54 22.07 -9.23 97.91 19.97 -9.27 98.23 21.02 3 0 1000.00 -999 ? >VAL~B 22 -8.92 99.15 26.40 -7.57 100.68 27.17 -8.24 99.92 26.79 3 0 1000.00 -999 ? >GLU~B 23 -13.33 100.88 28.64 -12.67 100.96 30.70 -13.00 100.92 29.67 2 0 1000.00 -999 ? >ASN.B 24 -13.08 94.86 25.52 -15.10 95.56 25.77 -14.09 95.21 25.64 2 0 1000.00 -999 ? >GLY.B 25 -8.77 93.96 27.83 -8.80 94.44 27.19 -8.79 94.20 27.51 1 0 1000.00 -999 ? >MET.B 26 -6.58 95.39 25.05 -6.94 94.46 21.03 -6.76 94.92 23.04 2 0 1000.00 -999 ? >PRO.B 27 -2.90 96.23 27.22 -4.34 97.37 25.94 -3.62 96.80 26.58 3 0 1000.00 -999 ? >THR^B 28 -3.85 100.56 23.30 -5.64 100.43 22.06 -4.75 100.49 22.68 2 0 1000.00 -999 ? >VAL^B 29 -1.88 103.57 22.17 0.20 103.98 22.37 -0.84 103.78 22.27 3 0 1000.00 -999 ? >GLN^B 30 -4.82 108.10 19.10 -6.50 109.29 19.63 -5.66 108.69 19.36 2 0 1000.00 -999 ? >ILE^B 31 0.33 107.36 16.85 1.66 106.88 16.70 0.99 107.12 16.77 3 0 1000.00 -999 ? >ASN^B 32 -2.10 112.57 16.47 -3.39 112.15 18.09 -2.74 112.36 17.28 2 0 1000.00 -999 ? >ASP.B 33 0.10 112.33 11.70 -1.02 114.11 11.42 -0.46 113.22 11.56 2 0 1000.00 -999 ? >VAL.B 34 1.26 108.57 10.10 1.61 108.12 8.03 1.44 108.34 9.07 3 0 1000.00 -999 ? >PRO.B 35 2.14 105.72 13.28 3.17 107.51 12.36 2.66 106.62 12.82 3 0 1000.00 -999 ? >THR.B 36 7.45 107.93 12.24 7.75 110.01 11.57 7.60 108.97 11.90 2 0 1000.00 -999 ? >GLY.B 37 8.72 106.13 15.29 8.28 105.75 14.74 8.50 105.94 15.02 1 0 1000.00 -999 ? >THR.B 38 8.76 102.54 16.36 10.23 102.28 17.99 9.49 102.41 17.17 2 0 1000.00 -999 ? >GLN.B 39 4.33 98.55 18.45 3.95 96.46 18.61 4.14 97.50 18.53 2 0 1000.00 -999 ? >PRO.B 40 4.01 103.43 20.34 5.33 101.68 20.67 4.67 102.55 20.50 3 0 1000.00 -999 ? >GLU.B 41 8.38 99.19 24.47 10.08 99.41 25.74 9.23 99.30 25.11 2 0 1000.00 -999 ? >GLY.B 42 2.75 98.53 26.31 2.72 98.41 25.52 2.73 98.47 25.91 1 0 1000.00 -999 ? >CYH.B 43 0.40 97.90 23.34 1.05 100.29 22.19 0.73 99.10 22.76 2 0 1000.00 -999 ? >ASP.B 44 -2.53 94.22 22.59 -1.51 93.32 24.21 -2.02 93.77 23.40 2 0 1000.00 -999 ? >ALA^B 45 -3.36 97.69 19.60 -4.87 97.75 19.80 -4.12 97.72 19.70 2 0 1000.00 -999 ? >VAL^B 46 -2.41 100.94 17.94 -0.31 101.48 17.57 -1.36 101.21 17.75 3 0 1000.00 -999 ? >VAL^B 47 -4.90 103.48 16.68 -6.93 103.74 17.45 -5.91 103.61 17.07 3 0 1000.00 -999 ? >ILE^B 48 -2.76 105.47 12.77 -1.53 105.36 11.97 -2.14 105.42 12.37 3 0 1000.00 -999 ? >SER^B 49 -5.53 109.07 13.92 -6.63 110.98 14.88 -6.08 110.03 14.40 2 0 1000.00 -999 ? >LEU.B 50 -5.69 109.93 9.27 -4.08 108.59 8.69 -4.88 109.26 8.98 3 0 1000.00 -999 ? >LYS.B 51 -7.71 113.79 9.13 -3.70 117.54 11.59 -5.71 115.66 10.36 2 0 1000.00 -999 ? >THR.B 52 -9.06 111.82 6.19 -7.66 110.17 6.42 -8.36 111.00 6.31 2 0 1000.00 -999 ? >ARG.B 53 -15.66 112.46 9.05 -16.12 111.24 11.80 -15.89 111.85 10.43 2 0 1000.00 -999 ? >SER.B 54 -13.52 115.14 4.40 -14.61 115.91 6.42 -14.07 115.53 5.41 2 0 1000.00 -999 ? >CYH.B 55 -10.35 115.84 2.42 -8.65 113.75 3.01 -9.50 114.80 2.71 2 0 1000.00 -999 ? >PRO~B 56 -8.89 116.69 -1.60 -10.06 115.06 -0.63 -9.48 115.87 -1.11 3 0 1000.00 -999 ? >ALA~B 57 -10.19 110.92 -1.89 -11.08 110.22 -2.90 -10.63 110.57 -2.39 2 0 1000.00 -999 ? >GLN~B 58 -4.89 110.68 -5.03 -5.49 109.01 -6.28 -5.19 109.85 -5.65 2 0 1000.00 -999 ? >GLU~B 59 -4.78 114.44 1.50 -5.54 116.47 1.94 -5.16 115.46 1.72 2 0 1000.00 -999 ? >ALA~B 60 -7.30 110.04 2.00 -8.83 109.96 2.08 -8.07 110.00 2.04 2 0 1000.00 -999 ? >ILE~B 61 -6.13 106.64 -1.37 -6.57 105.86 -2.46 -6.35 106.25 -1.92 3 0 1000.00 -999 ? >LYS~B 62 -2.35 108.09 0.31 0.10 112.38 -3.44 -1.12 110.24 -1.57 2 0 1000.00 -999 ? >GLN~B 63 -3.12 111.33 4.39 -2.23 112.06 6.13 -2.67 111.70 5.26 2 0 1000.00 -999 ? >SER~B 64 -4.22 105.63 4.80 -6.46 106.37 4.62 -5.34 106.00 4.71 2 0 1000.00 -999 ? >LEU~B 65 -1.63 103.70 1.27 -2.59 102.35 -0.10 -2.11 103.02 0.59 3 0 1000.00 -999 ? >ALA~B 66 1.11 105.17 4.62 1.43 106.67 4.65 1.27 105.92 4.63 2 0 1000.00 -999 ? >ALA~B 67 -0.58 104.34 7.89 -1.99 104.81 8.35 -1.28 104.57 8.12 2 0 1000.00 -999 ? >LEU~B 68 -1.82 100.32 5.43 -2.54 98.32 5.00 -2.18 99.32 5.22 3 0 1000.00 -999 ? >VAL~B 69 2.53 100.31 5.71 3.84 100.86 4.08 3.19 100.59 4.89 3 0 1000.00 -999 ? >TRP~B 70 5.40 103.50 11.36 3.35 102.21 14.43 4.37 102.86 12.90 3 0 1000.00 -999 ? >LEU~B 71 -0.19 99.10 10.57 -1.51 100.34 11.91 -0.85 99.72 11.24 3 0 1000.00 -999 ? >LYS~B 72 2.54 96.14 8.62 -0.27 92.15 6.73 1.13 94.14 7.68 2 0 1000.00 -999 ? >LYS~B 73 6.24 96.92 9.11 6.97 101.93 7.70 6.61 99.42 8.41 2 0 1000.00 -999 ? >GLN~B 74 5.09 99.27 13.53 7.16 99.58 13.60 6.12 99.43 13.56 2 0 1000.00 -999 ? >GLY.B 75 3.94 93.36 12.34 3.54 94.08 12.59 3.74 93.72 12.47 1 0 1000.00 -999 ? >CYH.B 76 0.20 93.46 12.73 -1.79 95.34 12.56 -0.80 94.40 12.64 2 0 1000.00 -999 ? >GLN.B 77 -1.61 88.70 14.29 -1.63 88.09 16.36 -1.62 88.39 15.33 2 0 1000.00 -999 ? >GLN.B 78 -8.12 92.34 12.20 -9.69 91.42 13.28 -8.91 91.88 12.74 2 0 1000.00 -999 ? >VAL^B 79 -6.30 95.93 10.28 -5.07 96.96 8.79 -5.69 96.45 9.53 3 0 1000.00 -999 ? >TYR^B 80 -11.16 98.06 13.05 -13.88 98.32 13.53 -12.52 98.19 13.29 3 0 1000.00 -999 ? >PHE^B 81 -11.16 102.08 7.03 -11.90 104.51 5.90 -11.53 103.29 6.46 3 0 1000.00 -999 ? >LYS^B 82 -12.52 103.02 11.53 -15.27 106.13 14.62 -13.89 104.57 13.07 2 0 1000.00 -999 ? >TYR.B 83 -16.07 104.14 8.36 -17.08 101.63 7.72 -16.58 102.88 8.04 3 0 1000.00 -999 ? >CYH.B 84 -17.95 107.27 11.68 -19.31 109.49 12.26 -18.63 108.38 11.97 2 0 1000.00 -999 ? >SER.B 85 -21.09 105.38 12.70 -21.00 104.13 14.73 -21.05 104.75 13.72 2 0 1000.00 -999 ? >THR.B 86 -23.25 107.71 10.69 -23.53 109.49 11.85 -23.39 108.60 11.27 2 0 1000.00 -999 ? >PHE.B 87 -21.49 104.93 5.88 -20.26 103.15 4.17 -20.88 104.04 5.03 3 0 1000.00 -999 ? >ASP.B 88 -19.58 111.37 7.93 -20.68 111.43 9.71 -20.13 111.40 8.82 2 0 1000.00 -999 ? >SER.B 89 -19.01 110.51 3.33 -19.93 108.22 3.01 -19.47 109.36 3.17 2 0 1000.00 -999 ? >THR.B 90 -20.22 111.64 -0.10 -19.08 113.52 -0.36 -19.65 112.58 -0.23 2 0 1000.00 -999 ? >ALA.B 91 -20.45 109.93 -3.53 -21.22 110.35 -4.71 -20.83 110.14 -4.12 2 0 1000.00 -999 ? >GLU.B 92 -17.42 113.21 -4.65 -16.90 114.16 -6.40 -17.16 113.68 -5.52 2 0 1000.00 -999 ? >GLY.B 93 -15.43 109.37 -0.70 -16.06 109.90 -0.50 -15.74 109.64 -0.60 1 0 1000.00 -999 ? >ASN~B 94 -12.65 109.50 2.09 -12.33 111.43 1.19 -12.49 110.46 1.64 2 0 1000.00 -999 ? >ILE~B 95 -16.25 105.00 3.68 -17.02 104.77 4.79 -16.63 104.88 4.24 3 0 1000.00 -999 ? >GLY~B 96 -15.05 103.47 -0.40 -14.44 103.96 -0.14 -14.75 103.71 -0.27 1 0 1000.00 -999 ? >PRO~B 97 -13.04 106.71 -2.40 -12.50 104.69 -1.65 -12.77 105.70 -2.03 3 0 1000.00 -999 ? >VAL~B 98 -9.95 104.12 1.30 -9.24 105.20 3.06 -9.59 104.66 2.18 3 0 1000.00 -999 ? >THR~B 99 -11.57 100.67 1.76 -13.39 99.79 2.56 -12.48 100.23 2.16 2 0 1000.00 -999 ? >ASP~B 100 -11.22 100.13 -3.13 -13.33 99.75 -3.44 -12.27 99.94 -3.28 2 0 1000.00 -999 ? >ALA~B 101 -7.10 100.77 -1.48 -6.65 102.22 -1.24 -6.88 101.50 -1.36 2 0 1000.00 -999 ? >LEU~B 102 -7.32 99.12 3.11 -6.97 100.72 4.57 -7.14 99.92 3.84 3 0 1000.00 -999 ? >MET~B 103 -8.14 95.74 0.27 -12.31 95.70 -0.17 -10.22 95.72 0.05 2 0 1000.00 -999 ? >VAL~B 104 -5.76 95.88 -2.67 -5.68 96.80 -4.62 -5.72 96.34 -3.64 3 0 1000.00 -999 ? >ALA~B 105 -2.76 96.68 -0.44 -2.56 97.98 0.34 -2.66 97.33 -0.05 2 0 1000.00 -999 ? >LEU~B 106 -4.44 93.79 3.12 -4.00 94.67 5.00 -4.22 94.23 4.06 3 0 1000.00 -999 ? >ASP~B 107 -3.37 90.43 -1.04 -3.20 89.30 -2.88 -3.29 89.87 -1.96 2 0 1000.00 -999 ? >THR.B 108 -8.19 90.66 0.18 -8.86 91.06 2.20 -8.53 90.86 1.19 2 0 1000.00 -999 ? >SER.B 109 -11.20 90.57 -2.06 -10.78 88.31 -2.42 -10.99 89.44 -2.24 2 0 1000.00 -999 ? >PHE.B 110 -15.92 89.37 1.16 -18.57 89.44 2.00 -17.24 89.41 1.58 3 0 1000.00 -999 ? >THR^B 111 -14.44 92.88 3.74 -12.95 94.39 4.02 -13.70 93.63 3.88 2 0 1000.00 -999 ? >VAL^B 112 -17.24 93.78 5.99 -16.95 92.43 7.64 -17.09 93.10 6.81 3 0 1000.00 -999 ? >ILE^B 113 -19.50 97.80 5.59 -19.52 98.91 4.56 -19.51 98.36 5.07 3 0 1000.00 -999 ? >SER^B 114 -20.17 97.34 10.31 -20.42 95.90 12.24 -20.29 96.62 11.27 2 0 1000.00 -999 ? >PRO.B 115 -22.35 101.01 9.48 -20.92 100.25 11.07 -21.63 100.63 10.28 3 0 1000.00 -999 ? >ALA.B 116 -23.37 100.26 14.24 -24.24 99.04 14.41 -23.80 99.65 14.33 2 0 1000.00 -999 ? >LEU~B 117 -21.81 102.72 18.08 -20.31 102.67 19.77 -21.06 102.69 18.92 3 0 1000.00 -999 ? >PRO~B 118 -25.63 98.37 18.73 -25.43 100.55 19.16 -25.53 99.46 18.95 3 0 1000.00 -999 ? >VAL~B 119 -25.09 101.97 22.82 -23.21 102.14 23.99 -24.15 102.06 23.41 3 0 1000.00 -999 ? >ASN~B 120 -24.03 106.24 20.73 -22.46 105.96 22.04 -23.25 106.10 21.38 2 0 1000.00 -999 ? >GLY.B 121 -28.19 104.76 19.02 -27.48 104.65 18.72 -27.83 104.70 18.87 1 0 1000.00 -999 ? >ARG^B 122 -25.31 106.39 16.32 -25.45 109.41 16.62 -25.38 107.90 16.47 2 0 1000.00 -999 ? >THR^B 123 -28.17 100.56 14.56 -29.87 100.72 15.94 -29.02 100.64 15.25 2 0 1000.00 -999 ? >VAL^B 124 -28.35 98.82 11.23 -26.48 98.82 10.01 -27.41 98.82 10.62 3 0 1000.00 -999 ? >TYR^B 125 -33.61 95.85 10.63 -35.47 93.82 10.26 -34.54 94.83 10.45 3 0 1000.00 -999 ? >GLN.B 126 -33.91 94.39 6.74 -33.62 92.29 6.59 -33.77 93.34 6.66 2 0 1000.00 -999 ? >GLY.B 127 -28.49 97.24 5.74 -29.15 97.54 6.10 -28.82 97.39 5.92 1 0 1000.00 -999 ? >TYR^B 128 -32.47 100.28 5.13 -33.69 99.63 2.76 -33.08 99.95 3.94 3 0 1000.00 -999 ? >LEU^B 129 -27.39 103.52 8.60 -25.83 104.09 10.03 -26.61 103.81 9.32 3 0 1000.00 -999 ? >PHE^B 130 -32.60 102.62 11.80 -34.48 101.50 10.18 -33.54 102.06 10.99 3 0 1000.00 -999 ? >VAL^B 131 -29.81 107.10 14.03 -28.56 108.68 13.35 -29.18 107.89 13.69 3 0 1000.00 -999 ? >MET.B 132 -31.83 106.63 17.13 -30.20 108.68 19.66 -31.02 107.66 18.39 2 0 1000.00 -999 ? >ASN.B 133 -36.48 106.90 17.13 -36.68 109.03 17.10 -36.58 107.97 17.11 2 0 1000.00 -999 ? >HIS^B 134 -36.06 109.83 13.07 -37.67 110.72 14.09 -36.87 110.27 13.58 3 0 1000.00 -999 ? >LEU^B 135 -34.18 106.25 7.91 -34.87 104.41 6.99 -34.52 105.33 7.45 3 0 1000.00 -999 ? >LEU.B 136 -28.99 107.49 8.09 -27.22 108.68 7.57 -28.10 108.08 7.83 3 0 1000.00 -999 ? >ALA~B 137 -31.70 110.23 5.95 -32.07 109.69 4.56 -31.89 109.96 5.26 2 0 1000.00 -999 ? >GLU~B 138 -36.49 110.06 7.09 -38.18 108.67 7.20 -37.33 109.37 7.14 2 0 1000.00 -999 ? >SER~B 139 -32.24 112.32 11.05 -30.00 111.31 10.78 -31.12 111.81 10.91 2 0 1000.00 -999 ? >GLY~B 140 -30.25 115.52 11.58 -30.09 114.85 11.15 -30.17 115.19 11.36 1 0 1000.00 -999 ? >MET~B 141 -27.59 113.93 9.39 -24.86 113.04 10.77 -26.22 113.48 10.08 2 0 1000.00 -999 ? >ARG~B 142 -33.25 115.34 4.95 -33.94 113.53 2.49 -33.60 114.43 3.72 2 0 1000.00 -999 ? >HIS~B 143 -31.11 119.34 7.32 -33.03 119.04 6.50 -32.07 119.19 6.91 3 0 1000.00 -999 ? >HIS~B 144 -23.11 116.66 8.63 -21.20 116.70 9.46 -22.16 116.68 9.04 3 0 1000.00 -999 ? >PRO.B 145 -22.40 121.20 8.99 -23.33 120.43 7.08 -22.87 120.82 8.03 3 0 1000.00 -999 ? >ILE.B 146 -18.79 118.48 6.21 -18.13 118.76 6.93 -18.46 118.62 6.57 3 0 1000.00 -999 ? >ASN.B 147 -20.64 114.40 4.58 -19.93 114.28 6.57 -20.28 114.34 5.58 2 0 1000.00 -999 ? >PRO.B 148 -25.20 117.17 2.51 -24.72 115.76 4.20 -24.96 116.47 3.35 3 0 1000.00 -999 ? >MET.B 149 -26.89 112.17 4.14 -23.60 110.85 4.91 -25.25 111.51 4.52 2 0 1000.00 -999 ? >THR.B 150 -30.00 111.76 2.01 -29.62 113.36 0.61 -29.81 112.56 1.31 2 0 1000.00 -999 ? >ASP.B 151 -29.36 107.48 0.32 -29.97 105.51 -0.38 -29.66 106.49 -0.03 2 0 1000.00 -999 ? >SER.B 152 -30.00 105.46 4.45 -31.90 106.68 5.38 -30.95 106.07 4.92 2 0 1000.00 -999 ? >TYR~B 153 -30.14 100.39 1.14 -30.13 97.70 0.64 -30.14 99.05 0.89 3 0 1000.00 -999 ? >LEU~B 154 -25.08 100.68 4.47 -24.58 101.60 6.42 -24.83 101.14 5.45 3 0 1000.00 -999 ? >PRO~B 155 -26.45 97.61 1.28 -25.36 99.53 0.83 -25.91 98.57 1.06 3 0 1000.00 -999 ? >ARG~B 156 -29.61 102.78 -3.46 -32.06 102.45 -1.60 -30.83 102.61 -2.53 2 0 1000.00 -999 ? >LEU~B 157 -24.18 105.01 1.36 -25.48 106.43 2.35 -24.83 105.72 1.85 3 0 1000.00 -999 ? >MET~B 158 -21.07 102.30 -0.36 -18.21 101.45 0.89 -19.64 101.88 0.27 2 0 1000.00 -999 ? >GLU~B 159 -22.65 99.28 -4.34 -24.30 98.14 -5.12 -23.47 98.71 -4.73 2 0 1000.00 -999 ? >ALA~B 160 -21.79 105.29 -5.01 -22.71 106.34 -4.41 -22.25 105.81 -4.71 2 0 1000.00 -999 ? >GLN~B 161 -17.75 106.45 -1.32 -18.11 106.58 0.74 -17.93 106.51 -0.29 2 0 1000.00 -999 ? >ALA~B 162 -16.61 102.22 -4.17 -16.98 101.26 -3.01 -16.80 101.74 -3.59 2 0 1000.00 -999 ? >GLN.B 163 -13.60 98.36 -6.62 -11.44 97.85 -6.73 -12.52 98.11 -6.67 2 0 1000.00 -999 ? >GLY.B 164 -17.48 96.68 -6.18 -17.90 97.33 -5.90 -17.69 97.01 -6.04 1 0 1000.00 -999 ? >ARG.B 165 -22.54 93.62 -7.84 -24.18 91.04 -7.64 -23.36 92.33 -7.74 2 0 1000.00 -999 ? >CYH^B 166 -22.05 95.58 -1.58 -22.31 97.07 0.69 -22.18 96.33 -0.44 2 0 1000.00 -999 ? >GLY^B 167 -24.41 93.06 0.09 -24.01 93.55 0.61 -24.21 93.31 0.35 1 0 1000.00 -999 ? >VAL^B 168 -26.14 92.53 3.52 -27.78 93.92 3.95 -26.96 93.23 3.74 3 0 1000.00 -999 ? >ILE^B 169 -24.80 89.57 7.23 -24.51 88.11 6.83 -24.66 88.84 7.03 3 0 1000.00 -999 ? >PRO~B 170 -30.22 89.07 6.85 -28.78 90.47 7.81 -29.50 89.77 7.33 3 0 1000.00 -999 ? >ALA~B 171 -30.04 90.64 12.01 -31.03 91.62 12.63 -30.53 91.13 12.32 2 0 1000.00 -999 ? >GLN~B 172 -34.45 87.96 11.13 -34.55 90.03 10.55 -34.50 88.99 10.84 2 0 1000.00 -999 ? >THR~B 173 -28.91 85.52 10.25 -28.00 85.27 8.28 -28.45 85.40 9.27 2 0 1000.00 -999 ? >LEU~B 174 -26.66 88.32 13.49 -25.16 89.49 12.49 -25.91 88.90 12.99 3 0 1000.00 -999 ? >ASP~B 175 -30.87 85.86 15.53 -31.26 87.91 16.17 -31.07 86.88 15.85 2 0 1000.00 -999 ? >GLU~B 176 -30.67 81.66 12.04 -30.83 81.78 9.88 -30.75 81.72 10.96 2 0 1000.00 -999 ? >GLY~B 177 -25.35 82.32 15.00 -25.39 82.43 14.24 -25.37 82.37 14.62 1 0 1000.00 -999 ? >VAL~B 178 -21.72 81.97 14.01 -19.84 81.96 15.08 -20.78 81.96 14.55 3 0 1000.00 -999 ? >ALA~B 179 -21.96 79.16 11.41 -22.23 77.70 11.70 -22.10 78.43 11.55 2 0 1000.00 -999 ? >ALA~B 180 -25.05 80.66 9.72 -26.38 80.96 10.40 -25.71 80.81 10.06 2 0 1000.00 -999 ? >THR~B 181 -23.26 84.00 9.48 -23.06 85.66 10.81 -23.16 84.83 10.15 2 0 1000.00 -999 ? >ARG~B 182 -17.17 81.86 7.72 -15.53 84.43 7.02 -16.35 83.14 7.37 2 0 1000.00 -999 ? >ALA~B 183 -22.17 80.50 5.63 -23.40 79.69 5.97 -22.79 80.10 5.80 2 0 1000.00 -999 ? >ALA~B 184 -23.87 83.75 4.69 -24.70 84.59 5.63 -24.28 84.17 5.16 2 0 1000.00 -999 ? >LEU~B 185 -19.48 85.78 5.25 -19.35 87.54 6.53 -19.41 86.66 5.89 3 0 1000.00 -999 ? >SER~B 186 -19.23 82.82 1.84 -18.21 81.27 3.28 -18.72 82.04 2.56 2 0 1000.00 -999 ? >ARG~B 187 -26.30 82.58 -0.17 -26.76 85.41 1.14 -26.53 83.99 0.49 2 0 1000.00 -999 ? >LEU~B 188 -22.13 87.73 0.31 -23.89 88.82 1.10 -23.01 88.27 0.71 3 0 1000.00 -999 ? >GLN~B 189 -16.08 85.85 -1.24 -14.63 85.63 0.32 -15.36 85.74 -0.46 2 0 1000.00 -999 ? >GLN~B 190 -19.01 80.94 -3.39 -19.83 79.68 -1.77 -19.42 80.31 -2.58 2 0 1000.00 -999 ? >GLU~B 191 -24.41 84.77 -4.62 -26.06 85.33 -3.35 -25.23 85.05 -3.99 2 0 1000.00 -999 ? >GLY.B 192 -19.60 88.23 -6.45 -19.94 88.32 -5.78 -19.77 88.28 -6.12 1 0 1000.00 -999 ? >TYR.B 193 -22.31 90.94 -2.92 -24.94 91.02 -3.72 -23.63 90.98 -3.32 3 0 1000.00 -999 ? >ARG.B 194 -14.41 95.12 -4.10 -11.37 95.03 -3.98 -12.89 95.08 -4.04 2 0 1000.00 -999 ? >TYR^B 195 -17.62 96.23 -0.21 -16.31 97.54 -2.29 -16.96 96.88 -1.25 3 0 1000.00 -999 ? >ALA^B 196 -20.98 92.92 3.26 -20.91 91.49 3.73 -20.95 92.20 3.49 2 0 1000.00 -999 ? >VAL^B 197 -22.82 95.28 5.59 -23.91 97.15 5.37 -23.37 96.22 5.48 3 0 1000.00 -999 ? >LEU^B 198 -22.26 93.20 9.79 -20.78 91.77 9.05 -21.52 92.49 9.42 3 0 1000.00 -999 ? >ASP.B 199 -27.96 93.66 10.77 -29.09 94.27 9.04 -28.52 93.96 9.91 2 0 1000.00 -999 ? >ALA.B 200 -26.48 95.14 14.60 -25.11 95.62 14.94 -25.79 95.38 14.77 2 0 1000.00 -999 ? >LEU.B 201 -30.68 95.30 16.80 -31.83 95.32 15.00 -31.26 95.31 15.90 3 0 1000.00 -999 ? >ASN~B 202 -28.49 94.41 20.87 -28.72 92.55 19.91 -28.60 93.48 20.39 2 0 1000.00 -999 ? >GLU~B 203 -23.37 95.56 23.84 -22.70 95.25 25.85 -23.04 95.40 24.84 2 0 1000.00 -999 ? >ARG~B 204 -27.02 87.52 21.15 -29.55 88.41 19.57 -28.29 87.96 20.36 2 0 1000.00 -999 ? >HIS~B 205 -27.21 91.57 16.57 -29.25 91.12 16.49 -28.23 91.35 16.53 3 0 1000.00 -999 ? >LEU~B 206 -21.24 94.23 18.28 -21.66 96.19 17.34 -21.45 95.21 17.81 3 0 1000.00 -999 ? >GLU~B 207 -20.46 90.55 22.14 -21.27 89.86 24.03 -20.87 90.21 23.08 2 0 1000.00 -999 ? >ILE~B 208 -22.74 87.18 16.65 -23.91 86.62 16.57 -23.32 86.90 16.61 3 0 1000.00 -999 ? >GLN~B 209 -21.27 91.25 13.36 -21.69 93.34 13.23 -21.48 92.30 13.30 2 0 1000.00 -999 ? >GLY~B 210 -16.61 89.73 16.68 -16.98 89.08 16.34 -16.80 89.41 16.51 1 0 1000.00 -999 ? >GLU~B 211 -16.91 83.64 17.69 -18.27 82.32 18.67 -17.59 82.98 18.18 2 0 1000.00 -999 ? >VAL~B 212 -17.03 85.42 13.07 -18.81 85.32 11.86 -17.92 85.37 12.46 3 0 1000.00 -999 ? >LEU~B 213 -14.79 89.38 11.82 -16.26 89.98 10.25 -15.52 89.68 11.03 3 0 1000.00 -999 ? >ARG.B 214 -12.06 83.85 17.10 -9.14 84.03 18.11 -10.60 83.94 17.61 2 0 1000.00 -999 ? >ASP.B 215 -8.65 84.81 12.04 -8.45 83.77 13.92 -8.55 84.29 12.98 2 0 1000.00 -999 ? >ALA.B 216 -10.18 88.40 9.22 -11.51 89.10 9.04 -10.85 88.75 9.13 2 0 1000.00 -999 ? >PRO.B 217 -7.62 89.25 5.81 -7.76 89.95 7.94 -7.69 89.60 6.87 3 0 1000.00 -999 ? >LEU^B 218 -8.96 94.33 5.83 -9.24 96.42 5.20 -9.10 95.37 5.51 3 0 1000.00 -999 ? >VAL^B 219 -12.39 94.77 8.73 -12.99 93.94 10.64 -12.69 94.35 9.69 3 0 1000.00 -999 ? >THR^B 220 -14.15 98.14 8.60 -14.43 98.37 6.41 -14.29 98.25 7.51 2 0 1000.00 -999 ? >GLY^B 221 -16.71 99.84 10.78 -16.03 100.27 10.86 -16.37 100.05 10.82 1 0 1000.00 -999 ? >GLY.B 222 -17.45 102.15 13.71 -17.11 101.34 13.75 -17.28 101.74 13.73 1 0 1000.00 -999 ? >SER~B 223 -16.39 101.40 17.29 -15.76 103.60 18.07 -16.07 102.50 17.68 2 0 1000.00 -999 ? >GLY~B 224 -18.92 98.67 17.95 -18.26 98.57 17.55 -18.59 98.62 17.75 1 0 1000.00 -999 ? >LEU~B 225 -17.08 95.74 14.55 -16.61 93.92 13.50 -16.85 94.83 14.03 3 0 1000.00 -999 ? >ALA~B 226 -14.04 96.79 17.73 -13.46 98.18 17.85 -13.75 97.49 17.79 2 0 1000.00 -999 ? >MET~B 227 -15.65 95.95 21.05 -19.07 96.57 23.19 -17.36 96.26 22.12 2 0 1000.00 -999 ? >GLY~B 228 -16.74 92.56 19.79 -16.00 92.89 19.70 -16.37 92.72 19.74 1 0 1000.00 -999 ? >LEU~B 229 -12.51 92.48 17.30 -12.64 92.26 15.17 -12.58 92.37 16.23 3 0 1000.00 -999 ? >ALA~B 230 -11.54 92.82 21.68 -11.74 94.16 22.37 -11.64 93.49 22.03 2 0 1000.00 -999 ? >ARG~B 231 -17.14 91.75 24.64 -19.28 93.71 25.63 -18.21 92.73 25.14 2 0 1000.00 -999 ? >GLN~B 232 -13.99 87.20 19.56 -14.87 85.30 19.87 -14.43 86.25 19.71 2 0 1000.00 -999 ? >TRP~B 233 -8.81 89.68 20.00 -6.91 86.58 18.53 -7.86 88.13 19.26 3 0 1000.00 -999 ? >ALA~B 234 -10.20 88.82 26.54 -11.50 89.61 26.87 -10.85 89.22 26.70 2 0 1000.00 -999 ? >LYS~B 235 -11.57 85.28 25.87 -16.20 82.19 24.70 -13.89 83.73 25.29 2 0 1000.00 -999 ? >SER.B 243 -3.09 100.56 33.73 -4.76 101.83 32.43 -3.93 101.19 33.08 2 0 1000.00 -999 ? >ALA.B 244 -0.60 102.33 31.41 -0.13 101.75 30.06 -0.37 102.04 30.73 2 0 1000.00 -999 ? >GLY.B 245 -3.02 105.23 30.97 -3.07 104.82 31.69 -3.04 105.03 31.33 1 0 1000.00 -999 ? >TYR.B 246 -4.30 105.22 36.91 -6.27 105.37 38.87 -5.29 105.30 37.89 3 0 1000.00 -999 ? >PRO.B 247 -5.88 109.49 35.77 -3.75 109.00 35.28 -4.81 109.24 35.53 3 0 1000.00 -999 ? >LEU.B 248 0.82 111.77 35.78 2.07 110.83 34.21 1.44 111.30 35.00 3 0 1000.00 -999 ? >SER.B 249 -0.01 113.21 39.85 -0.22 112.01 41.95 -0.12 112.61 40.90 2 0 1000.00 -999 ? >GLY.B 250 -0.09 117.03 39.84 -0.89 116.62 39.95 -0.49 116.83 39.89 1 0 1000.00 -999 ? >ARG.B 251 -4.38 122.58 42.06 -1.56 124.05 41.82 -2.97 123.32 41.94 2 0 1000.00 -999 ? >ALA^B 252 -5.67 119.42 37.29 -6.98 118.71 37.58 -6.33 119.07 37.44 2 0 1000.00 -999 ? >VAL^B 253 -7.23 122.24 35.29 -6.22 123.44 33.80 -6.73 122.84 34.55 3 0 1000.00 -999 ? >VAL^B 254 -10.52 122.20 33.39 -12.42 121.44 34.08 -11.47 121.82 33.73 3 0 1000.00 -999 ? >LEU^B 255 -9.12 123.85 29.14 -7.36 124.76 30.08 -8.24 124.31 29.61 3 0 1000.00 -999 ? >SER^B 256 -13.92 124.06 28.55 -16.24 123.99 28.69 -15.08 124.02 28.62 2 0 1000.00 -999 ? >GLY.B 257 -14.69 125.32 25.05 -15.21 124.75 25.33 -14.95 125.03 25.19 1 0 1000.00 -999 ? >SER.B 258 -17.67 123.20 23.97 -19.20 121.30 24.31 -18.44 122.25 24.14 2 0 1000.00 -999 ? >CYH.B 259 -21.28 124.59 23.79 -20.34 127.06 23.12 -20.81 125.82 23.46 2 0 1000.00 -999 ? >SER~B 260 -23.07 121.23 23.82 -21.07 120.04 24.64 -22.07 120.64 24.23 2 0 1000.00 -999 ? >GLN~B 261 -28.08 122.20 24.72 -29.89 121.88 23.61 -28.99 122.04 24.16 2 0 1000.00 -999 ? >MET~B 262 -24.23 118.71 28.06 -24.72 116.50 30.13 -24.48 117.60 29.10 2 0 1000.00 -999 ? >THR~B 263 -21.09 120.82 28.42 -19.31 121.14 27.26 -20.20 120.98 27.84 2 0 1000.00 -999 ? >ASN~B 264 -24.45 124.37 28.65 -23.83 125.79 27.17 -24.14 125.08 27.91 2 0 1000.00 -999 ? >GLN~B 265 -26.76 120.50 31.51 -27.81 118.66 31.27 -27.28 119.58 31.39 2 0 1000.00 -999 ? >GLN~B 266 -20.80 118.01 32.15 -20.15 117.13 30.31 -20.47 117.57 31.23 2 0 1000.00 -999 ? >VAL~B 267 -19.94 123.81 33.63 -19.05 125.19 32.20 -19.50 124.50 32.92 3 0 1000.00 -999 ? >ALA~B 268 -23.08 124.98 35.49 -24.51 124.76 35.03 -23.79 124.87 35.26 2 0 1000.00 -999 ? >PHE~B 269 -22.52 119.68 38.67 -22.43 117.92 40.86 -22.48 118.80 39.76 3 0 1000.00 -999 ? >TYR~B 270 -16.27 121.73 37.83 -13.68 121.29 38.80 -14.97 121.51 38.31 3 0 1000.00 -999 ? >ARG~B 271 -20.55 129.36 37.67 -19.86 129.53 34.67 -20.21 129.45 36.17 2 0 1000.00 -999 ? >GLN~B 272 -23.13 125.49 41.50 -23.65 127.48 42.11 -23.39 126.49 41.81 2 0 1000.00 -999 ? >HIS~B 273 -19.44 121.30 43.39 -21.37 120.47 43.53 -20.40 120.88 43.46 3 0 1000.00 -999 ? >ALA.B 274 -14.73 125.05 42.19 -14.08 123.99 41.32 -14.41 124.52 41.76 2 0 1000.00 -999 ? >PRO.B 275 -11.09 127.41 42.23 -13.20 127.68 41.53 -12.15 127.55 41.88 3 0 1000.00 -999 ? >THR^B 276 -13.91 129.12 37.67 -16.02 128.70 37.36 -14.96 128.91 37.52 2 0 1000.00 -999 ? >ARG^B 277 -10.37 133.81 36.56 -10.10 136.76 35.76 -10.24 135.29 36.16 2 0 1000.00 -999 ? >ASP^B 278 -16.57 133.64 32.34 -17.92 132.48 33.43 -17.25 133.06 32.89 2 0 1000.00 -999 ? >VAL.B 279 -13.39 133.74 28.99 -12.15 132.38 27.84 -12.77 133.06 28.42 3 0 1000.00 -999 ? >ASP~B 280 -13.10 138.42 28.58 -14.13 140.26 28.44 -13.61 139.34 28.51 2 0 1000.00 -999 ? >VAL~B 281 -13.86 136.92 23.98 -15.24 136.25 22.42 -14.55 136.58 23.20 3 0 1000.00 -999 ? >ALA~B 282 -13.24 140.64 23.43 -14.07 141.73 24.01 -13.66 141.18 23.72 2 0 1000.00 -999 ? >ARG~B 283 -8.14 139.59 28.56 -8.40 140.92 31.29 -8.27 140.25 29.93 2 0 1000.00 -999 ? >CYH~B 284 -8.69 137.84 22.64 -9.65 135.89 24.29 -9.17 136.87 23.47 2 0 1000.00 -999 ? >LEU~B 285 -9.55 140.84 19.18 -11.19 139.51 19.42 -10.37 140.18 19.30 3 0 1000.00 -999 ? >SER~B 286 -4.71 140.29 19.22 -3.78 141.46 21.10 -4.25 140.87 20.16 2 0 1000.00 -999 ? >SER~B 287 -1.65 138.25 19.82 -0.28 139.78 18.60 -0.97 139.02 19.21 2 0 1000.00 -999 ? >GLU~B 288 -0.79 143.31 20.58 -1.49 145.25 20.10 -1.14 144.28 20.34 2 0 1000.00 -999 ? >THR~B 289 -3.77 140.96 24.69 -5.47 141.96 23.92 -4.62 141.46 24.30 2 0 1000.00 -999 ? >ARG~B 290 -4.89 134.71 21.18 -5.24 136.04 18.46 -5.07 135.37 19.82 2 0 1000.00 -999 ? >GLU~B 291 0.45 137.52 23.23 2.03 136.24 22.68 1.24 136.88 22.96 2 0 1000.00 -999 ? >ALA~B 292 -1.52 139.09 28.45 -1.97 140.51 28.45 -1.74 139.80 28.45 2 0 1000.00 -999 ? >TYR~B 293 -7.32 136.96 28.75 -9.88 136.39 29.66 -8.60 136.67 29.20 3 0 1000.00 -999 ? >ALA~B 294 -3.25 133.99 28.91 -2.43 133.54 27.70 -2.84 133.76 28.31 2 0 1000.00 -999 ? >GLU~B 295 1.62 135.92 32.18 2.62 134.08 31.78 2.12 135.00 31.98 2 0 1000.00 -999 ? >ALA~B 296 -3.30 136.51 33.81 -4.41 137.48 33.41 -3.85 137.00 33.61 2 0 1000.00 -999 ? >LEU~B 297 -6.01 132.79 32.33 -8.07 133.35 31.88 -7.04 133.07 32.10 3 0 1000.00 -999 ? >ALA~B 298 -2.04 131.36 34.05 -0.75 131.64 33.32 -1.39 131.50 33.68 2 0 1000.00 -999 ? >GLN~B 299 0.11 135.20 36.75 2.02 134.24 36.76 1.06 134.72 36.76 2 0 1000.00 -999 ? >TRP~B 300 -7.77 133.61 39.65 -9.90 130.59 38.31 -8.83 132.10 38.98 3 0 1000.00 -999 ? >VAL~B 301 -4.94 129.18 37.86 -5.31 127.82 36.16 -5.13 128.50 37.01 3 0 1000.00 -999 ? >LEU~B 302 -0.25 127.99 38.23 1.27 129.49 37.75 0.51 128.74 37.99 3 0 1000.00 -999 ? >SER~B 303 -1.84 130.24 42.27 -2.81 132.44 42.09 -2.32 131.34 42.18 2 0 1000.00 -999 ? >GLN.B 304 -7.09 128.88 41.40 -7.82 130.58 42.45 -7.45 129.73 41.93 2 0 1000.00 -999 ? >ASP.B 305 -7.26 128.61 47.22 -7.06 128.61 49.33 -7.16 128.61 48.27 2 0 1000.00 -999 ? >SER.B 306 -8.72 124.75 46.25 -10.61 123.60 45.26 -9.66 124.18 45.76 2 0 1000.00 -999 ? >GLU.B 307 -7.91 118.62 46.78 -6.38 118.66 48.27 -7.15 118.64 47.52 2 0 1000.00 -999 ? >LEU.B 308 -12.25 120.21 42.95 -13.12 118.37 43.88 -12.69 119.29 43.42 3 0 1000.00 -999 ? >ALA.B 309 -9.22 121.92 39.85 -8.71 121.11 38.67 -8.96 121.52 39.26 2 0 1000.00 -999 ? >PRO.B 310 -7.52 125.85 39.07 -9.56 124.89 38.98 -8.54 125.37 39.03 3 0 1000.00 -999 ? >MET^B 311 -11.76 126.03 35.41 -15.64 124.97 34.38 -13.70 125.50 34.89 2 0 1000.00 -999 ? >ILE^B 312 -10.00 128.64 31.62 -9.60 129.90 32.17 -9.80 129.27 31.89 3 0 1000.00 -999 ? >SER^B 313 -14.60 128.09 30.62 -17.00 128.24 30.75 -15.80 128.16 30.68 2 0 1000.00 -999 ? >ALA.B 314 -15.51 129.67 27.30 -14.60 129.64 26.09 -15.06 129.66 26.69 2 0 1000.00 -999 ? >THR.B 315 -18.71 127.62 27.07 -19.19 126.04 28.53 -18.95 126.83 27.80 2 0 1000.00 -999 ? >ALA.B 316 -21.94 129.45 26.33 -21.54 130.50 25.31 -21.74 129.98 25.82 2 0 1000.00 -999 ? >SER~B 317 -25.52 128.52 25.62 -26.88 130.45 26.18 -26.20 129.49 25.90 2 0 1000.00 -999 ? >THR~B 318 -26.80 128.17 22.04 -28.43 126.77 22.30 -27.61 127.47 22.17 2 0 1000.00 -999 ? >GLN~B 319 -30.63 131.00 23.93 -31.97 131.73 22.40 -31.30 131.36 23.17 2 0 1000.00 -999 ? >ALA~B 320 -25.35 133.25 24.23 -24.74 132.86 25.56 -25.05 133.05 24.89 2 0 1000.00 -999 ? >LEU~B 321 -22.96 130.31 21.21 -21.53 129.25 19.95 -22.24 129.78 20.58 3 0 1000.00 -999 ? >ALA~B 322 -25.48 133.34 19.00 -26.97 133.34 19.27 -26.22 133.34 19.14 2 0 1000.00 -999 ? >ALA~B 323 -24.83 136.90 20.33 -25.23 137.36 21.71 -25.03 137.13 21.02 2 0 1000.00 -999 ? >ILE~B 324 -20.25 135.27 21.08 -19.00 134.97 22.00 -19.63 135.12 21.54 3 0 1000.00 -999 ? >GLN~B 325 -21.62 133.20 17.00 -21.18 131.31 16.10 -21.40 132.26 16.55 2 0 1000.00 -999 ? >GLN~B 326 -25.91 138.31 15.37 -27.67 137.37 16.17 -26.79 137.84 15.77 2 0 1000.00 -999 ? >GLN~B 327 -20.09 141.79 20.08 -20.35 142.13 22.18 -20.22 141.96 21.13 2 0 1000.00 -999 ? >TYR~B 328 -16.80 139.27 19.35 -16.51 140.49 21.83 -16.66 139.88 20.59 3 0 1000.00 -999 ? >GLY~B 329 -17.87 137.16 13.93 -17.87 136.87 14.73 -17.87 137.01 14.33 1 0 1000.00 -999 ? >ALA~B 330 -18.42 133.40 14.32 -19.35 132.63 13.38 -18.89 133.01 13.85 2 0 1000.00 -999 ? >THR~B 331 -15.23 132.24 12.64 -15.37 132.69 10.44 -15.30 132.47 11.54 2 0 1000.00 -999 ? >GLU~B 332 -13.19 136.88 12.70 -15.18 136.81 11.91 -14.19 136.84 12.30 2 0 1000.00 -999 ? >ALA~B 333 -14.50 134.12 17.85 -15.98 134.04 18.18 -15.24 134.08 18.02 2 0 1000.00 -999 ? >SER~B 334 -13.65 130.44 17.34 -15.36 129.88 15.75 -14.51 130.16 16.55 2 0 1000.00 -999 ? >HIS~B 335 -8.26 132.72 15.08 -6.20 133.13 15.11 -7.23 132.93 15.09 3 0 1000.00 -999 ? >ALA~B 336 -9.75 133.97 19.15 -10.60 135.22 19.38 -10.17 134.59 19.27 2 0 1000.00 -999 ? >VAL~B 337 -10.77 131.52 21.91 -12.61 130.89 22.89 -11.69 131.20 22.40 3 0 1000.00 -999 ? >GLU~B 338 -9.24 128.05 18.07 -10.43 126.99 16.54 -9.84 127.52 17.30 2 0 1000.00 -999 ? >ALA~B 339 -5.97 130.82 19.97 -6.15 132.16 19.28 -6.06 131.49 19.63 2 0 1000.00 -999 ? >LEU~B 340 -7.34 132.35 24.37 -7.27 133.52 26.19 -7.30 132.93 25.28 3 0 1000.00 -999 ? >PHE~B 341 -8.92 127.27 25.45 -11.25 127.42 26.98 -10.08 127.35 26.22 3 0 1000.00 -999 ? >SER~B 342 -3.48 127.38 22.96 -1.96 127.33 21.13 -2.72 127.35 22.05 2 0 1000.00 -999 ? >LEU~B 343 -1.47 131.54 24.48 -0.64 132.89 22.95 -1.05 132.21 23.72 3 0 1000.00 -999 ? >LEU~B 344 -4.38 129.15 28.15 -5.26 129.44 30.08 -4.82 129.30 29.11 3 0 1000.00 -999 ? >ALA~B 345 -2.25 125.37 27.85 -2.76 124.42 26.78 -2.51 124.89 27.31 2 0 1000.00 -999 ? >ALA~B 346 1.45 125.85 27.07 1.95 126.81 26.00 1.70 126.33 26.53 2 0 1000.00 -999 ? >ARG~B 347 1.59 131.68 29.68 2.62 133.74 27.54 2.10 132.71 28.61 2 0 1000.00 -999 ? >LEU~B 348 -1.64 125.41 32.50 -3.32 126.81 32.25 -2.48 126.11 32.38 3 0 1000.00 -999 ? >ALA~B 349 2.09 122.96 31.58 2.30 122.54 30.15 2.20 122.75 30.86 2 0 1000.00 -999 ? >GLU~B 350 6.93 125.03 30.00 9.07 125.34 30.10 8.00 125.19 30.05 2 0 1000.00 -999 ? >GLY~B 351 4.07 126.32 35.28 4.01 125.54 35.03 4.04 125.93 35.16 1 0 1000.00 -999 ? >GLY.B 352 3.50 122.71 36.36 2.86 123.02 36.07 3.18 122.86 36.22 1 0 1000.00 -999 ? >ILE.B 353 -1.28 122.40 35.05 -2.57 122.31 35.98 -1.93 122.35 35.52 3 0 1000.00 -999 ? >THR.B 354 -0.32 117.87 34.99 0.63 116.29 36.10 0.16 117.08 35.55 2 0 1000.00 -999 ? >ARG^B 355 -4.78 114.56 37.60 -5.77 115.81 40.29 -5.27 115.18 38.94 2 0 1000.00 -999 ? >PHE^B 356 -3.89 119.69 30.66 -1.70 121.40 31.01 -2.80 120.54 30.83 3 0 1000.00 -999 ? >ILE^B 357 -10.36 117.86 32.85 -10.91 117.33 33.90 -10.64 117.60 33.37 3 0 1000.00 -999 ? >VAL^B 358 -10.80 119.43 28.24 -9.20 120.12 26.95 -10.00 119.77 27.60 3 0 1000.00 -999 ? >ALA^B 359 -14.35 119.86 26.93 -15.41 120.39 27.85 -14.88 120.13 27.39 2 0 1000.00 -999 ? >GLY~B 360 -14.78 120.27 23.15 -14.22 119.71 23.39 -14.50 119.99 23.27 1 0 1000.00 -999 ? >GLY~B 361 -13.25 118.63 20.09 -13.15 119.41 20.36 -13.20 119.02 20.22 1 0 1000.00 -999 ? >GLU~B 362 -13.57 122.52 17.19 -13.86 123.43 15.25 -13.72 122.98 16.22 2 0 1000.00 -999 ? >THR~B 363 -10.38 122.66 22.19 -11.51 123.72 23.70 -10.95 123.19 22.94 2 0 1000.00 -999 ? >SER~B 364 -9.16 119.09 22.83 -11.03 117.90 23.73 -10.09 118.49 23.28 2 0 1000.00 -999 ? >GLY~B 365 -7.12 119.29 19.64 -7.14 119.85 20.25 -7.13 119.57 19.95 1 0 1000.00 -999 ? >VAL~B 366 -5.67 122.75 20.28 -6.34 124.83 20.18 -6.01 123.79 20.23 3 0 1000.00 -999 ? >VAL~B 367 -4.42 121.72 23.75 -5.41 121.54 25.69 -4.91 121.63 24.72 3 0 1000.00 -999 ? >THR~B 368 -2.88 118.57 22.35 -3.72 116.66 21.72 -3.30 117.62 22.03 2 0 1000.00 -999 ? >GLN~B 369 -1.98 120.53 17.14 -3.53 121.19 15.72 -2.75 120.86 16.43 2 0 1000.00 -999 ? >SER~B 370 0.06 123.43 21.89 -0.68 124.25 24.07 -0.31 123.84 22.98 2 0 1000.00 -999 ? >LEU~B 371 0.49 120.00 25.41 -0.09 120.38 27.46 0.20 120.19 26.43 3 0 1000.00 -999 ? >GLY~B 372 3.17 119.13 21.63 2.61 118.74 22.07 2.89 118.93 21.85 1 0 1000.00 -999 ? >ILE.B 373 0.34 115.43 23.10 -0.01 115.32 24.11 0.16 115.38 23.60 3 0 1000.00 -999 ? >THR.B 374 1.99 113.31 19.30 4.16 113.29 19.10 3.08 113.30 19.20 2 0 1000.00 -999 ? >GLY^B 375 0.34 110.26 20.87 0.66 110.74 21.49 0.50 110.50 21.18 1 0 1000.00 -999 ? >PHE^B 376 -2.81 110.14 23.88 -4.90 111.16 22.30 -3.85 110.65 23.09 3 0 1000.00 -999 ? >HIS^B 377 0.52 104.64 27.09 2.35 103.72 26.65 1.44 104.18 26.87 3 0 1000.00 -999 ? >ILE^B 378 -6.16 104.30 25.50 -6.99 105.38 24.88 -6.57 104.84 25.19 3 0 1000.00 -999 ? >GLY^B 379 -6.46 104.77 30.21 -6.99 104.80 29.60 -6.73 104.79 29.90 1 0 1000.00 -999 ? >PRO^B 380 -8.57 103.74 33.83 -9.11 104.10 31.65 -8.84 103.92 32.74 3 0 1000.00 -999 ? >CYH^B 381 -13.03 105.86 31.25 -14.09 103.94 29.79 -13.56 104.90 30.52 2 0 1000.00 -999 ? >ILE^B 382 -13.94 110.21 33.17 -13.23 110.71 33.08 -13.58 110.46 33.12 3 0 1000.00 -999 ? >SER^B 383 -17.27 107.71 31.53 -18.78 109.41 30.59 -18.03 108.56 31.06 2 0 1000.00 -999 ? >PRO.B 384 -20.22 104.99 30.08 -18.39 106.05 29.13 -19.30 105.52 29.60 3 0 1000.00 -999 ? >GLY.B 385 -17.08 107.85 25.53 -16.55 107.61 26.13 -16.82 107.73 25.83 1 0 1000.00 -999 ? >VAL^B 386 -14.19 109.56 27.31 -14.42 111.76 27.42 -14.31 110.66 27.37 3 0 1000.00 -999 ? >PRO^B 387 -10.35 107.55 26.77 -11.56 108.32 28.50 -10.96 107.93 27.64 3 0 1000.00 -999 ? >TRP^B 388 -9.02 109.67 34.15 -7.54 113.30 33.92 -8.28 111.48 34.03 3 0 1000.00 -999 ? >VAL^B 389 -4.92 109.34 28.45 -5.25 109.79 26.33 -5.09 109.56 27.39 3 0 1000.00 -999 ? >ASN^B 390 -0.36 108.69 30.06 -1.10 108.56 32.07 -0.73 108.62 31.07 2 0 1000.00 -999 ? >ALA^B 391 1.15 111.49 26.65 1.58 112.94 26.69 1.37 112.21 26.67 2 0 1000.00 -999 ? >LEU.B 392 3.93 108.90 23.72 2.55 107.28 23.19 3.24 108.09 23.46 3 0 1000.00 -999 ? >HIS.B 393 7.46 111.08 23.37 7.45 109.66 21.83 7.46 110.37 22.60 3 0 1000.00 -999 ? >ALA.B 394 5.54 114.67 27.60 4.59 115.72 27.05 5.06 115.20 27.32 2 0 1000.00 -999 ? >PRO.B 395 6.42 115.25 31.92 5.06 114.02 30.63 5.74 114.63 31.28 3 0 1000.00 -999 ? >VAL.B 396 1.12 114.75 30.94 0.91 116.71 29.90 1.01 115.73 30.42 3 0 1000.00 -999 ? >SER^B 397 -2.39 113.34 31.37 -1.87 111.89 33.24 -2.13 112.62 32.30 2 0 1000.00 -999 ? >LEU^B 398 -5.14 114.52 27.88 -3.49 115.76 27.15 -4.31 115.14 27.51 3 0 1000.00 -999 ? >ALA^B 399 -9.16 113.57 29.71 -9.90 113.65 31.01 -9.53 113.61 30.36 2 0 1000.00 -999 ? >LEU^B 400 -9.65 114.27 25.17 -7.75 115.37 25.12 -8.70 114.82 25.15 3 0 1000.00 -999 ? >LYS^B 401 -14.29 115.22 26.25 -19.35 117.37 27.20 -16.82 116.30 26.72 2 0 1000.00 -999 ? >SER.B 402 -16.29 115.72 23.05 -16.54 113.57 22.02 -16.42 114.65 22.54 2 0 1000.00 -999 ? >GLY.B 403 -19.81 117.09 22.35 -19.49 116.81 23.03 -19.65 116.95 22.69 1 0 1000.00 -999 ? >ASN.B 404 -23.91 115.33 23.84 -24.85 117.22 23.39 -24.38 116.28 23.61 2 0 1000.00 -999 ? >PHE.B 405 -19.34 111.43 24.59 -19.56 110.11 22.11 -19.45 110.77 23.35 3 0 1000.00 -999 ? >GLY.B 406 -20.63 112.29 30.14 -21.30 112.40 29.70 -20.97 112.35 29.92 1 0 1000.00 -999 ? >ASP.B 407 -23.66 112.18 33.92 -22.27 112.00 35.59 -22.97 112.09 34.76 2 0 1000.00 -999 ? >GLU.B 408 -24.56 117.03 36.77 -26.47 117.63 37.53 -25.52 117.33 37.15 2 0 1000.00 -999 ? >SER~B 409 -20.72 115.61 37.31 -21.55 113.43 37.92 -21.13 114.52 37.61 2 0 1000.00 -999 ? >PHE~B 410 -16.95 114.70 32.40 -14.60 114.18 30.98 -15.78 114.44 31.69 3 0 1000.00 -999 ? >PHE~B 411 -15.82 119.39 34.24 -16.13 120.41 31.66 -15.97 119.90 32.95 3 0 1000.00 -999 ? >ILE~B 412 -16.79 116.27 40.42 -17.19 116.93 41.78 -16.99 116.60 41.10 3 0 1000.00 -999 ? >ARG~B 413 -19.33 110.72 38.50 -18.56 109.43 35.81 -18.95 110.07 37.15 2 0 1000.00 -999 ? >ALA~B 414 -12.74 112.86 36.38 -12.61 113.94 35.37 -12.68 113.40 35.88 2 0 1000.00 -999 ? >GLN~B 415 -10.26 116.32 39.20 -10.79 118.33 39.53 -10.53 117.32 39.37 2 0 1000.00 -999 ? >ARG~B 416 -15.34 113.83 44.48 -16.81 116.22 45.78 -16.07 115.02 45.13 2 0 1000.00 -999 ? >GLU~B 417 -15.30 108.04 40.75 -16.84 107.12 39.66 -16.07 107.58 40.20 2 0 1000.00 -999 ? >PHE.B 418 -9.96 108.48 37.56 -11.70 107.12 35.88 -10.83 107.80 36.72 3 0 1000.00 -999 ? >GLN.B 419 -4.86 111.55 43.41 -3.31 110.99 42.03 -4.09 111.27 42.72 2 0 1000.00 -999 ?