REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 20-SEP-04 1XHN COMPND CELLULAR REPRESSOR OF E1A-STIMULATED GENES; COMPND 3 CHAIN: A, B, C, D; COMPND 4 FRAGMENT: RESIDUES 13-184; COMPND 5 SYNONYM: CREG; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR M.SACHER,V.V.LUNIN,M.CYGLER HET MSE A 91 8 HET MSE A 115 8 HET MSE A 128 12 HET MSE A 142 8 HET MSE B 91 8 HET MSE B 115 8 HET MSE B 128 11 HET MSE B 142 8 HET MSE C 91 8 HET MSE C 115 8 HET MSE C 128 12 HET MSE C 142 8 HET MSE D 91 8 HET MSE D 115 8 HET MSE D 128 8 HET MSE D 142 8 SSBOND 1 CYS A 99 CYS A 111 1555 1555 2.01 SSBOND 2 CYS B 99 CYS B 111 1555 1555 2.07 SSBOND 3 CYS C 99 CYS C 111 1555 1555 2.03 SSBOND 4 CYS D 99 CYS D 111 1555 1555 2.01 >GLY.A 11 54.03 71.52 -1.94 53.66 71.08 -2.55 53.84 71.30 -2.25 1 0 1000.00 -999 ? >SER.A 12 50.38 71.14 -3.00 50.30 68.72 -3.39 50.34 69.93 -3.20 2 0 1000.00 -999 ? >LEU.A 13 46.04 73.28 -2.43 44.58 74.75 -1.74 45.31 74.02 -2.08 3 0 1000.00 -999 ? >PRO.A 14 46.95 71.78 2.64 45.96 70.93 0.81 46.46 71.35 1.73 3 0 1000.00 -999 ? >PRO.A 15 42.89 67.00 1.83 42.72 69.17 1.17 42.80 68.09 1.50 3 0 1000.00 -999 ? >ARG.A 16 39.28 73.61 -2.47 40.81 75.86 -3.94 40.04 74.73 -3.21 2 0 1000.00 -999 ? >GLU.A 17 37.64 68.01 3.78 36.55 66.24 4.17 37.10 67.13 3.98 2 0 1000.00 -999 ? >ASP~A 18 41.67 69.72 6.10 42.62 69.47 8.07 42.15 69.59 7.08 2 0 1000.00 -999 ? >ALA~A 19 40.37 74.44 6.58 39.15 75.26 6.97 39.76 74.85 6.78 2 0 1000.00 -999 ? >ALA~A 20 42.99 74.26 9.43 42.94 73.37 10.70 42.96 73.82 10.07 2 0 1000.00 -999 ? >ARG~A 21 45.61 68.70 6.66 46.94 67.19 4.34 46.28 67.95 5.50 2 0 1000.00 -999 ? >VAL~A 22 44.70 74.97 4.26 43.13 75.10 2.72 43.91 75.03 3.49 3 0 1000.00 -999 ? >ALA~A 23 45.17 77.96 6.53 44.40 78.27 7.85 44.78 78.12 7.19 2 0 1000.00 -999 ? >ARG~A 24 49.47 76.36 10.81 51.38 74.34 12.08 50.42 75.35 11.44 2 0 1000.00 -999 ? >PHE~A 25 49.24 75.20 1.55 50.27 75.35 -1.08 49.76 75.28 0.24 3 0 1000.00 -999 ? >VAL~A 26 48.63 79.67 2.94 46.80 80.67 2.32 47.72 80.17 2.63 3 0 1000.00 -999 ? >THR~A 27 50.46 81.17 5.94 50.11 81.56 8.05 50.28 81.36 7.00 2 0 1000.00 -999 ? >HIS~A 28 55.29 77.27 5.23 57.34 76.85 5.09 56.32 77.06 5.16 3 0 1000.00 -999 ? >VAL~A 29 53.64 79.94 1.32 52.15 78.78 0.10 52.89 79.36 0.71 3 0 1000.00 -999 ? >SER~A 30 53.11 83.68 1.92 50.66 83.70 2.19 51.88 83.69 2.05 2 0 1000.00 -999 ? >ASP.A 31 57.22 86.16 0.98 57.98 84.24 0.28 57.60 85.20 0.63 2 0 1000.00 -999 ? >TRP^A 32 54.38 89.24 -0.62 50.89 91.01 -1.35 52.63 90.13 -0.99 3 0 1000.00 -999 ? >GLY^A 33 50.44 90.01 3.68 50.95 90.67 3.73 50.69 90.34 3.71 1 0 1000.00 -999 ? >ALA^A 34 48.15 92.94 4.28 46.97 93.26 3.29 47.56 93.10 3.78 2 0 1000.00 -999 ? >LEU^A 35 48.92 94.19 8.84 49.10 93.63 10.88 49.01 93.91 9.86 3 0 1000.00 -999 ? >ALA^A 36 44.62 96.01 8.96 43.21 95.47 8.72 43.91 95.74 8.84 2 0 1000.00 -999 ? >THR^A 37 44.99 98.36 11.97 47.15 98.72 11.78 46.07 98.54 11.87 2 0 1000.00 -999 ? >ILE^A 38 42.27 101.34 14.68 40.89 101.25 14.35 41.58 101.29 14.52 3 0 1000.00 -999 ? >SER.A 39 44.59 104.58 12.23 45.29 106.28 10.69 44.94 105.43 11.46 2 0 1000.00 -999 ? >THR.A 40 46.00 106.99 14.81 47.50 105.83 15.96 46.75 106.41 15.38 2 0 1000.00 -999 ? >LEU~A 41 46.97 109.40 10.64 48.73 108.87 9.43 47.85 109.13 10.04 3 0 1000.00 -999 ? >GLU~A 42 44.84 115.50 13.32 44.08 115.52 15.31 44.46 115.51 14.31 2 0 1000.00 -999 ? >ALA~A 43 43.75 113.20 9.37 44.61 113.21 8.10 44.18 113.20 8.74 2 0 1000.00 -999 ? >VAL~A 44 41.98 109.84 9.53 43.04 109.00 7.75 42.51 109.42 8.64 3 0 1000.00 -999 ? >ARG~A 45 42.49 110.15 16.89 45.46 111.06 17.09 43.98 110.61 16.99 2 0 1000.00 -999 ? >GLY.A 46 39.70 105.85 13.90 40.08 105.91 13.19 39.89 105.88 13.55 1 0 1000.00 -999 ? >ARG.A 47 38.83 107.72 7.91 38.82 108.86 5.02 38.82 108.29 6.47 2 0 1000.00 -999 ? >PRO^A 48 38.39 101.00 8.25 40.17 101.74 9.41 39.28 101.37 8.83 3 0 1000.00 -999 ? >PHE^A 49 46.18 102.53 7.75 48.28 103.69 6.25 47.23 103.11 7.00 3 0 1000.00 -999 ? >ALA^A 50 45.67 98.60 5.49 44.88 98.04 4.30 45.28 98.32 4.89 2 0 1000.00 -999 ? >ASP^A 51 50.01 98.84 5.99 52.10 99.38 5.70 51.06 99.11 5.85 2 0 1000.00 -999 ? >VAL^A 52 51.82 95.62 3.22 52.07 95.32 1.02 51.94 95.47 2.12 3 0 1000.00 -999 ? >LEU^A 53 53.77 93.54 7.03 53.51 95.04 8.52 53.64 94.29 7.78 3 0 1000.00 -999 ? >SER^A 54 56.79 91.04 4.90 58.58 91.53 3.34 57.68 91.28 4.12 2 0 1000.00 -999 ? >LEU.A 55 54.82 87.72 7.39 53.14 86.83 6.44 53.98 87.28 6.92 3 0 1000.00 -999 ? >SER.A 56 57.54 84.42 7.78 59.47 82.99 7.59 58.50 83.70 7.68 2 0 1000.00 -999 ? >ASP.A 57 54.99 80.82 9.72 54.96 79.25 8.26 54.98 80.03 8.99 2 0 1000.00 -999 ? >GLY.A 58 59.59 79.51 9.48 59.49 79.94 8.79 59.54 79.73 9.13 1 0 1000.00 -999 ? >PRO.A 59 63.25 77.26 9.09 61.87 78.40 7.73 62.56 77.83 8.41 3 0 1000.00 -999 ? >PRO.A 60 63.06 77.15 3.16 61.83 76.17 4.79 62.44 76.66 3.98 3 0 1000.00 -999 ? >GLY.A 61 60.21 72.63 6.30 60.23 73.35 6.81 60.22 72.99 6.56 1 0 1000.00 -999 ? >ALA.A 62 59.49 74.26 9.62 60.81 74.47 10.36 60.15 74.37 9.99 2 0 1000.00 -999 ? >GLY.A 63 56.49 76.57 9.09 56.55 75.89 9.61 56.52 76.23 9.35 1 0 1000.00 -999 ? >SER.A 64 54.94 76.92 12.50 55.59 78.98 13.59 55.26 77.95 13.05 2 0 1000.00 -999 ? >GLY.A 65 51.97 78.96 11.39 52.61 79.28 11.74 52.29 79.12 11.56 1 0 1000.00 -999 ? >VAL.A 66 53.04 81.88 13.62 53.92 81.99 15.66 53.48 81.93 14.64 3 0 1000.00 -999 ? >PRO.A 67 50.77 84.96 11.57 53.00 84.56 11.98 51.88 84.76 11.78 3 0 1000.00 -999 ? >TYR^A 68 57.86 85.09 13.74 57.74 83.02 15.61 57.80 84.06 14.67 3 0 1000.00 -999 ? >PHE^A 69 54.61 90.91 11.42 52.01 89.90 11.01 53.31 90.41 11.22 3 0 1000.00 -999 ? >TYR^A 70 62.76 92.83 11.08 65.33 93.51 11.93 64.05 93.17 11.50 3 0 1000.00 -999 ? >LEU^A 71 57.61 96.04 13.10 55.80 95.08 12.35 56.71 95.56 12.73 3 0 1000.00 -999 ? >SER.A 72 60.07 99.75 13.01 61.07 101.78 12.19 60.57 100.76 12.60 2 0 1000.00 -999 ? >PRO.A 73 60.09 101.90 16.88 58.89 101.90 14.98 59.49 101.90 15.93 3 0 1000.00 -999 ? >LEU.A 74 59.93 104.94 11.31 61.55 106.23 11.88 60.74 105.58 11.60 3 0 1000.00 -999 ? >GLN~A 75 57.15 100.58 9.28 57.06 98.44 9.30 57.10 99.51 9.29 2 0 1000.00 -999 ? >LEU~A 76 51.62 104.08 8.82 51.51 106.18 8.08 51.57 105.13 8.45 3 0 1000.00 -999 ? >SER~A 77 51.20 100.28 11.15 50.74 98.94 9.18 50.97 99.61 10.16 2 0 1000.00 -999 ? >VAL~A 78 53.41 100.29 14.28 55.54 99.57 14.61 54.47 99.93 14.44 3 0 1000.00 -999 ? >SER~A 79 52.30 103.74 15.42 51.58 106.03 15.19 51.94 104.89 15.31 2 0 1000.00 -999 ? >ASN~A 80 48.05 101.81 13.87 47.75 103.27 12.32 47.90 102.54 13.09 2 0 1000.00 -999 ? >LEU~A 81 50.48 98.02 16.70 50.03 96.50 15.18 50.26 97.26 15.94 3 0 1000.00 -999 ? >GLN~A 82 53.52 101.79 19.44 54.91 103.43 19.15 54.22 102.61 19.29 2 0 1000.00 -999 ? >GLU~A 83 47.93 105.15 19.75 48.97 105.63 21.54 48.45 105.39 20.65 2 0 1000.00 -999 ? >ASN~A 84 44.20 100.00 18.94 42.69 98.51 18.88 43.45 99.26 18.91 2 0 1000.00 -999 ? >PRO.A 85 46.78 95.80 21.57 46.92 96.76 19.48 46.85 96.28 20.53 3 0 1000.00 -999 ? >TYR^A 86 42.39 94.27 19.14 41.61 93.34 21.64 42.00 93.81 20.39 3 0 1000.00 -999 ? >ALA^A 87 44.93 93.63 13.92 46.43 93.73 13.69 45.68 93.68 13.80 2 0 1000.00 -999 ? >THR^A 88 43.83 91.29 11.11 41.75 90.74 10.77 42.79 91.01 10.94 2 0 1000.00 -999 ? >LEU^A 89 47.50 89.06 9.09 49.42 88.65 8.16 48.46 88.85 8.62 3 0 1000.00 -999 ? >THR^A 90 45.06 88.61 5.16 43.65 89.41 3.62 44.35 89.01 4.39 2 0 1000.00 -999 ? >MET?A 91 46.96 86.50 2.66 49.77 85.06 5.48 48.36 85.78 4.07 2 0 1000.00 -999 ? >THR^A 92 45.84 85.05 -0.71 45.29 86.33 -2.44 45.57 85.69 -1.57 2 0 1000.00 -999 ? >LEU.A 93 46.62 80.96 -3.29 47.07 79.32 -1.86 46.84 80.14 -2.58 3 0 1000.00 -999 ? >ALA~A 94 46.85 85.15 -5.71 45.69 86.16 -5.77 46.27 85.65 -5.74 2 0 1000.00 -999 ? >GLN~A 95 49.94 87.35 -2.14 50.02 87.28 0.00 49.98 87.31 -1.07 2 0 1000.00 -999 ? >THR~A 96 51.60 83.02 -6.21 51.15 81.33 -4.84 51.37 82.18 -5.52 2 0 1000.00 -999 ? >ASN~A 97 51.79 81.34 -10.75 51.06 81.26 -12.78 51.42 81.30 -11.76 2 0 1000.00 -999 ? >PHE~A 98 46.95 78.03 -6.47 44.94 76.22 -5.79 45.95 77.12 -6.13 3 0 1000.00 -999 ? >CSS~A 99 45.08 81.29 -9.06 44.53 82.09 -6.48 44.81 81.69 -7.77 2 0 1000.00 -999 ? >LYS~A 100 46.14 82.33 -12.55 45.76 87.69 -14.09 45.95 85.01 -13.32 2 0 1000.00 -999 ? >LYS~A 101 47.22 78.77 -13.54 51.24 74.57 -13.55 49.23 76.67 -13.54 2 0 1000.00 -999 ? >HIS~A 102 44.71 75.80 -10.43 45.99 74.21 -9.91 45.35 75.01 -10.17 3 0 1000.00 -999 ? >GLY~A 103 41.72 80.01 -13.67 41.80 79.78 -12.87 41.76 79.90 -13.27 1 0 1000.00 -999 ? >PHE.A 104 40.77 78.95 -8.94 40.74 76.13 -8.78 40.76 77.54 -8.86 3 0 1000.00 -999 ? >ASP.A 105 38.21 85.45 -10.17 38.24 87.59 -10.23 38.22 86.52 -10.20 2 0 1000.00 -999 ? >PRO.A 106 42.53 87.82 -8.58 41.08 86.28 -7.71 41.81 87.05 -8.14 3 0 1000.00 -999 ? >GLN.A 107 36.08 88.58 -4.50 34.95 90.34 -4.95 35.51 89.46 -4.72 2 0 1000.00 -999 ? >SER.A 108 36.68 83.33 -6.04 36.54 81.13 -6.89 36.61 82.23 -6.47 2 0 1000.00 -999 ? >PRO.A 109 34.58 80.72 -3.15 36.69 81.66 -3.35 35.63 81.19 -3.25 3 0 1000.00 -999 ? >LEU.A 110 38.37 78.14 -6.28 36.82 76.71 -5.60 37.60 77.43 -5.94 3 0 1000.00 -999 ? >CSS.A 111 41.58 81.30 -4.99 43.29 83.38 -5.56 42.43 82.34 -5.28 2 0 1000.00 -999 ? >VAL.A 112 42.22 80.61 -1.34 42.54 78.75 -0.18 42.38 79.68 -0.76 3 0 1000.00 -999 ? >HIS^A 113 40.72 85.34 0.34 38.73 86.00 0.22 39.72 85.67 0.28 3 0 1000.00 -999 ? >ILE^A 114 43.40 82.46 5.44 44.56 81.50 5.52 43.98 81.98 5.48 3 0 1000.00 -999 ? >MET?A 115 42.17 86.17 7.53 39.44 86.35 5.25 40.80 86.26 6.39 2 0 1000.00 -999 ? >LEU^A 116 45.42 85.26 10.94 46.13 83.42 10.12 45.78 84.34 10.53 3 0 1000.00 -999 ? >SER^A 117 42.79 88.18 13.53 41.10 89.84 14.00 41.94 89.01 13.77 2 0 1000.00 -999 ? >GLY^A 118 44.34 88.89 16.96 44.39 89.60 16.51 44.36 89.24 16.74 1 0 1000.00 -999 ? >THR^A 119 46.99 91.21 18.43 46.53 91.04 20.58 46.76 91.13 19.51 2 0 1000.00 -999 ? >VAL^A 120 50.44 92.12 17.28 51.18 92.73 15.36 50.81 92.42 16.32 3 0 1000.00 -999 ? >THR^A 121 53.03 92.16 20.08 52.03 90.76 21.44 52.53 91.46 20.76 2 0 1000.00 -999 ? >LYS^A 122 56.79 92.34 20.49 59.77 97.86 21.17 58.28 95.10 20.83 2 0 1000.00 -999 ? >VAL.A 123 58.34 88.88 20.61 58.90 87.48 19.01 58.62 88.18 19.81 3 0 1000.00 -999 ? >ASN~A 124 59.18 86.20 24.57 57.54 86.53 25.87 58.36 86.36 25.22 2 0 1000.00 -999 ? >GLU~A 125 65.08 88.42 26.11 66.88 87.95 27.14 65.98 88.18 26.63 2 0 1000.00 -999 ? >THR~A 126 63.04 83.28 24.44 62.02 82.59 26.33 62.53 82.94 25.39 2 0 1000.00 -999 ? >GLU~A 127 59.10 83.23 19.68 56.99 83.14 19.77 58.05 83.18 19.73 2 0 1000.00 -999 ? >MET?A 128 63.47 86.24 19.37 64.71 89.79 21.53 64.09 88.01 20.45 2 0 1000.00 -999 ? >ASP~A 129 66.85 82.76 18.50 68.52 82.39 17.23 67.68 82.58 17.86 2 0 1000.00 -999 ? >ILE~A 130 62.21 80.54 16.83 60.86 79.85 17.05 61.53 80.20 16.94 3 0 1000.00 -999 ? >ALA~A 131 61.51 84.84 14.83 61.03 85.97 15.69 61.27 85.40 15.26 2 0 1000.00 -999 ? >LYS~A 132 64.87 86.06 13.57 71.06 87.45 14.30 67.96 86.76 13.94 2 0 1000.00 -999 ? >HIS~A 133 66.50 80.34 11.87 67.26 78.84 10.62 66.88 79.59 11.24 3 0 1000.00 -999 ? >SER~A 134 62.28 82.49 10.41 60.87 81.29 12.00 61.57 81.89 11.20 2 0 1000.00 -999 ? >LEU~A 135 62.14 87.30 9.89 60.21 88.28 10.48 61.17 87.79 10.19 3 0 1000.00 -999 ? >PHE~A 136 67.21 87.97 9.65 67.24 90.48 11.01 67.22 89.22 10.33 3 0 1000.00 -999 ? >ILE~A 137 65.89 81.73 6.72 66.85 80.85 6.07 66.37 81.29 6.40 3 0 1000.00 -999 ? >ARG~A 138 60.11 82.54 3.00 57.60 81.66 4.56 58.86 82.10 3.78 2 0 1000.00 -999 ? >HIS~A 139 61.44 88.35 4.18 59.43 88.02 3.68 60.44 88.19 3.93 3 0 1000.00 -999 ? >PRO~A 140 67.37 86.84 1.21 66.96 87.86 3.26 67.17 87.35 2.23 3 0 1000.00 -999 ? >GLU~A 141 66.71 93.88 1.24 65.06 94.93 0.45 65.89 94.41 0.84 2 0 1000.00 -999 ? >MET?A 142 66.39 92.49 6.23 62.84 90.56 7.73 64.62 91.53 6.98 2 0 1000.00 -999 ? >LYS~A 143 70.07 91.88 7.33 72.06 86.38 5.47 71.07 89.13 6.40 2 0 1000.00 -999 ? >THR~A 144 70.90 95.10 5.40 70.83 94.59 3.27 70.87 94.85 4.34 2 0 1000.00 -999 ? >TRP~A 145 66.13 95.99 4.81 62.54 94.90 5.97 64.33 95.44 5.39 3 0 1000.00 -999 ? >PRO~A 146 67.36 101.56 7.35 68.83 99.99 8.18 68.10 100.78 7.76 3 0 1000.00 -999 ? >SER~A 147 69.79 100.02 12.44 72.07 100.78 12.93 70.93 100.40 12.68 2 0 1000.00 -999 ? >SER~A 148 68.63 103.63 12.85 68.66 104.69 10.61 68.64 104.16 11.73 2 0 1000.00 -999 ? >HIS~A 149 64.58 102.80 9.77 64.48 104.11 8.12 64.53 103.46 8.95 3 0 1000.00 -999 ? >ASN~A 150 64.61 101.44 16.51 66.09 102.90 17.10 65.35 102.17 16.80 2 0 1000.00 -999 ? >TRP.A 151 65.87 97.80 11.29 62.63 98.42 9.16 64.25 98.11 10.22 3 0 1000.00 -999 ? >PHE^A 152 60.04 95.91 17.36 57.58 97.18 16.83 58.81 96.54 17.10 3 0 1000.00 -999 ? >PHE^A 153 62.75 89.89 15.69 65.21 89.79 14.38 63.98 89.84 15.03 3 0 1000.00 -999 ? >ALA^A 154 56.88 91.07 16.37 56.19 92.32 15.79 56.53 91.70 16.08 2 0 1000.00 -999 ? >LYS^A 155 54.24 88.34 16.06 54.15 83.72 20.17 54.20 86.03 18.12 2 0 1000.00 -999 ? >LEU^A 156 49.86 87.84 14.06 47.77 88.45 13.59 48.82 88.15 13.83 3 0 1000.00 -999 ? >ASN^A 157 48.75 86.86 19.77 50.68 87.55 20.47 49.72 87.21 20.12 2 0 1000.00 -999 ? >ILE^A 158 46.01 83.57 15.53 46.26 83.12 14.35 46.13 83.35 14.94 3 0 1000.00 -999 ? >THR^A 159 42.47 84.44 18.33 42.43 86.25 19.55 42.45 85.34 18.94 2 0 1000.00 -999 ? >ASN^A 160 39.11 85.32 15.22 38.19 85.65 17.14 38.65 85.48 16.18 2 0 1000.00 -999 ? >ILE^A 161 41.48 81.32 11.90 42.68 80.54 11.74 42.08 80.93 11.82 3 0 1000.00 -999 ? >TRP^A 162 35.40 84.34 9.52 37.31 86.70 12.06 36.35 85.52 10.79 3 0 1000.00 -999 ? >VAL^A 163 39.19 80.52 5.63 40.55 78.74 5.76 39.87 79.63 5.69 3 0 1000.00 -999 ? >LEU^A 164 37.54 82.57 1.60 35.72 83.21 2.70 36.63 82.89 2.15 3 0 1000.00 -999 ? >ASP.A 165 39.63 77.18 0.97 38.73 75.62 2.17 39.18 76.40 1.57 2 0 1000.00 -999 ? >TYR.A 166 34.54 74.47 -1.84 33.67 72.68 -3.83 34.10 73.58 -2.83 3 0 1000.00 -999 ? >PHE.A 167 31.52 77.35 -4.61 32.69 77.53 -7.21 32.11 77.44 -5.91 3 0 1000.00 -999 ? >GLY.A 168 29.35 78.00 0.86 29.92 78.60 0.83 29.63 78.30 0.85 1 0 1000.00 -999 ? >GLY.A 169 30.95 80.87 2.78 31.39 80.23 2.66 31.17 80.55 2.72 1 0 1000.00 -999 ? >PRO.A 170 32.97 83.51 5.47 33.20 81.34 4.94 33.08 82.42 5.20 3 0 1000.00 -999 ? >LYS^A 171 35.03 78.32 7.39 35.83 74.04 3.11 35.43 76.18 5.25 2 0 1000.00 -999 ? >ILE^A 172 34.79 79.36 12.07 34.77 80.70 12.27 34.78 80.03 12.17 3 0 1000.00 -999 ? >VAL.A 173 39.04 77.58 12.38 40.61 76.82 10.94 39.83 77.20 11.66 3 0 1000.00 -999 ? >THR~A 174 40.07 77.80 16.01 39.13 76.06 17.07 39.60 76.93 16.54 2 0 1000.00 -999 ? >PRO~A 175 42.72 80.56 17.99 42.93 78.70 16.86 42.82 79.63 17.42 3 0 1000.00 -999 ? >GLU~A 176 42.05 75.32 20.14 42.20 77.25 20.99 42.13 76.28 20.57 2 0 1000.00 -999 ? >GLU~A 177 40.45 72.90 15.16 38.50 73.72 14.67 39.48 73.31 14.91 2 0 1000.00 -999 ? >TYR~A 178 46.24 78.04 12.52 48.09 79.60 11.06 47.17 78.82 11.79 3 0 1000.00 -999 ? >TYR~A 179 49.06 77.32 16.45 49.82 79.90 15.84 49.44 78.61 16.14 3 0 1000.00 -999 ? >ASN~A 180 46.41 70.68 16.68 46.58 70.85 18.86 46.50 70.76 17.77 2 0 1000.00 -999 ? >VAL~A 181 48.17 70.84 12.18 47.57 71.75 10.28 47.87 71.29 11.23 3 0 1000.00 -999 ? >THR.A 182 51.28 68.76 11.53 50.93 66.98 12.81 51.11 67.87 12.17 2 0 1000.00 -999 ? >SER.B 12 56.69 100.94 -17.17 58.18 102.61 -18.09 57.44 101.78 -17.63 2 0 1000.00 -999 ? >LEU.B 13 57.73 101.82 -12.47 57.67 102.21 -10.31 57.70 102.01 -11.39 3 0 1000.00 -999 ? >PRO.B 14 54.49 105.93 -13.32 56.72 105.55 -13.52 55.60 105.74 -13.42 3 0 1000.00 -999 ? >PRO.B 15 59.60 109.63 -13.88 59.21 108.01 -12.40 59.41 108.82 -13.14 3 0 1000.00 -999 ? >ARG.B 16 61.88 104.68 -7.30 61.03 101.76 -6.92 61.45 103.22 -7.11 2 0 1000.00 -999 ? >GLU.B 17 60.51 112.89 -9.41 61.89 111.80 -10.64 61.20 112.34 -10.02 2 0 1000.00 -999 ? >ASP~B 18 56.03 111.61 -10.87 57.47 112.87 -11.92 56.75 112.24 -11.39 2 0 1000.00 -999 ? >ALA~B 19 53.96 110.20 -6.61 53.94 110.69 -5.15 53.95 110.44 -5.88 2 0 1000.00 -999 ? >ALA~B 20 50.59 110.95 -8.23 49.99 112.32 -8.60 50.29 111.64 -8.42 2 0 1000.00 -999 ? >ARG~B 21 53.55 111.42 -14.06 55.92 110.69 -15.92 54.74 111.05 -14.99 2 0 1000.00 -999 ? >VAL~B 22 53.09 106.29 -9.44 54.99 105.85 -8.37 54.04 106.07 -8.91 3 0 1000.00 -999 ? >ALA~B 23 49.80 105.81 -7.54 49.16 106.87 -6.70 49.48 106.34 -7.12 2 0 1000.00 -999 ? >ARG~B 24 45.14 107.71 -11.08 44.17 108.91 -13.73 44.65 108.31 -12.41 2 0 1000.00 -999 ? >PHE~B 25 52.47 102.30 -12.95 53.90 100.11 -14.00 53.18 101.21 -13.47 3 0 1000.00 -999 ? >VAL~B 26 49.90 100.90 -9.28 51.07 100.64 -7.45 50.49 100.77 -8.37 3 0 1000.00 -999 ? >THR~B 27 46.08 101.16 -9.06 44.52 102.52 -8.31 45.30 101.84 -8.69 2 0 1000.00 -999 ? >HIS~B 28 45.87 100.82 -15.28 45.17 100.09 -17.12 45.52 100.46 -16.20 3 0 1000.00 -999 ? >VAL~B 29 48.14 97.39 -12.90 50.35 97.84 -12.80 49.24 97.62 -12.85 3 0 1000.00 -999 ? >SER~B 30 46.45 95.72 -9.84 47.60 97.00 -8.13 47.03 96.36 -8.99 2 0 1000.00 -999 ? >ASP.B 31 43.90 91.78 -11.22 44.86 92.09 -13.17 44.38 91.94 -12.20 2 0 1000.00 -999 ? >TRP^B 32 45.35 90.13 -7.22 46.72 90.30 -3.50 46.03 90.21 -5.36 3 0 1000.00 -999 ? >GLY^B 33 43.97 94.38 -3.42 43.30 93.83 -3.29 43.64 94.10 -3.36 1 0 1000.00 -999 ? >ALA^B 34 43.41 94.11 0.33 44.61 93.71 1.25 44.01 93.91 0.79 2 0 1000.00 -999 ? >LEU^B 35 39.21 96.11 1.30 37.84 97.74 1.07 38.52 96.93 1.18 3 0 1000.00 -999 ? >ALA^B 36 40.66 97.10 5.63 41.81 97.92 6.25 41.24 97.51 5.94 2 0 1000.00 -999 ? >THR^B 37 37.28 97.60 7.34 36.07 96.34 5.95 36.68 96.97 6.64 2 0 1000.00 -999 ? >ILE^B 38 35.33 98.89 11.61 36.29 99.35 12.67 35.81 99.12 12.14 3 0 1000.00 -999 ? >SER.B 39 34.45 94.33 11.91 36.19 92.63 12.04 35.32 93.48 11.98 2 0 1000.00 -999 ? >THR.B 40 30.75 94.15 12.80 28.78 94.34 11.81 29.77 94.25 12.31 2 0 1000.00 -999 ? >LEU~B 41 31.99 89.42 13.42 32.00 88.21 11.56 32.00 88.81 12.49 3 0 1000.00 -999 ? >GLU~B 42 28.74 90.22 19.89 27.21 89.13 20.90 27.98 89.67 20.39 2 0 1000.00 -999 ? >ALA~B 43 33.14 88.39 18.73 33.40 87.01 18.19 33.27 87.70 18.46 2 0 1000.00 -999 ? >VAL~B 44 35.56 90.89 17.12 36.43 89.65 15.54 35.99 90.27 16.33 3 0 1000.00 -999 ? >ARG~B 45 29.64 95.43 17.75 27.51 93.29 17.18 28.57 94.36 17.47 2 0 1000.00 -999 ? >GLY.B 46 35.16 97.13 16.46 35.48 96.46 16.21 35.32 96.80 16.33 1 0 1000.00 -999 ? >ARG.B 47 39.52 92.52 17.90 38.28 92.48 20.76 38.90 92.50 19.33 2 0 1000.00 -999 ? >PRO^B 48 42.13 96.57 13.42 40.00 96.00 12.92 41.07 96.28 13.17 3 0 1000.00 -999 ? >PHE^B 49 37.64 91.72 9.02 37.15 89.09 8.18 37.39 90.40 8.60 3 0 1000.00 -999 ? >ALA^B 50 41.17 92.71 6.26 42.70 92.69 6.29 41.94 92.71 6.27 2 0 1000.00 -999 ? >ASP^B 51 38.40 91.37 3.19 37.15 89.82 2.34 37.77 90.60 2.76 2 0 1000.00 -999 ? >VAL^B 52 40.93 90.32 -0.44 42.58 88.90 -1.04 41.76 89.61 -0.75 3 0 1000.00 -999 ? >LEU^B 53 38.09 93.18 -2.96 36.45 93.34 -1.52 37.27 93.26 -2.24 3 0 1000.00 -999 ? >SER^B 54 39.07 91.82 -7.07 39.14 89.69 -8.22 39.11 90.76 -7.64 2 0 1000.00 -999 ? >LEU.B 55 39.73 96.36 -7.56 41.84 96.88 -7.27 40.78 96.62 -7.41 3 0 1000.00 -999 ? >SER.B 56 39.63 97.36 -11.83 39.38 97.09 -14.25 39.50 97.22 -13.04 2 0 1000.00 -999 ? >ASP.B 57 41.17 101.88 -12.22 42.85 101.80 -13.55 42.01 101.84 -12.89 2 0 1000.00 -999 ? >GLY.B 58 39.45 100.36 -16.39 39.98 99.81 -16.12 39.72 100.09 -16.26 1 0 1000.00 -999 ? >PRO.B 59 38.78 99.90 -20.61 40.13 98.94 -19.05 39.45 99.42 -19.83 3 0 1000.00 -999 ? >PRO.B 60 43.05 96.03 -21.95 43.19 97.98 -20.88 43.12 97.00 -21.41 3 0 1000.00 -999 ? >GLY.B 61 44.33 101.59 -22.24 43.74 101.54 -21.74 44.03 101.56 -21.99 1 0 1000.00 -999 ? >ALA.B 62 41.94 103.58 -20.07 40.59 103.71 -20.79 41.26 103.65 -20.43 2 0 1000.00 -999 ? >GLY.B 63 42.70 103.29 -16.35 42.62 103.99 -16.80 42.66 103.64 -16.57 1 0 1000.00 -999 ? >SER.B 64 40.91 106.16 -14.53 38.82 105.35 -13.62 39.87 105.76 -14.07 2 0 1000.00 -999 ? >GLY.B 65 42.30 105.55 -11.04 41.53 105.30 -11.26 41.91 105.42 -11.15 1 0 1000.00 -999 ? >VAL.B 66 38.77 104.77 -9.75 36.77 105.83 -10.09 37.77 105.30 -9.92 3 0 1000.00 -999 ? >PRO.B 67 40.13 102.68 -6.25 38.86 102.10 -8.04 39.50 102.39 -7.14 3 0 1000.00 -999 ? >TYR^B 68 34.81 100.77 -10.86 34.30 103.29 -11.95 34.56 102.03 -11.41 3 0 1000.00 -999 ? >PHE^B 69 35.59 97.21 -4.84 37.64 98.70 -3.68 36.62 97.96 -4.26 3 0 1000.00 -999 ? >TYR^B 70 30.67 92.32 -9.44 28.36 91.42 -10.77 29.51 91.87 -10.11 3 0 1000.00 -999 ? >LEU^B 71 30.52 93.98 -3.15 32.44 94.95 -2.71 31.48 94.46 -2.93 3 0 1000.00 -999 ? >SER.B 72 27.63 90.73 -2.47 26.76 88.53 -1.84 27.19 89.63 -2.15 2 0 1000.00 -999 ? >PRO.B 73 23.88 92.11 -0.84 25.80 91.39 -0.06 24.84 91.75 -0.45 3 0 1000.00 -999 ? >LEU.B 74 26.70 86.70 0.85 25.15 85.14 0.64 25.92 85.92 0.74 3 0 1000.00 -999 ? >GLN~B 75 31.29 89.28 -0.17 32.38 90.56 -1.42 31.83 89.92 -0.79 2 0 1000.00 -999 ? >LEU~B 76 33.11 89.08 6.00 33.10 87.14 6.95 33.11 88.11 6.47 3 0 1000.00 -999 ? >SER~B 77 33.40 93.13 4.16 35.73 92.86 3.47 34.57 93.00 3.82 2 0 1000.00 -999 ? >VAL~B 78 29.98 94.26 2.92 28.92 94.16 0.99 29.45 94.21 1.95 3 0 1000.00 -999 ? >SER~B 79 28.41 93.59 6.36 27.52 91.37 6.54 27.97 92.48 6.45 2 0 1000.00 -999 ? >ASN~B 80 32.67 95.41 7.71 33.22 93.66 8.82 32.94 94.54 8.26 2 0 1000.00 -999 ? >LEU~B 81 30.96 98.49 3.76 32.90 98.74 2.88 31.93 98.62 3.32 3 0 1000.00 -999 ? >GLN~B 82 25.54 97.10 4.61 24.67 98.72 3.51 25.10 97.91 4.06 2 0 1000.00 -999 ? >GLU~B 83 26.99 97.55 10.76 25.02 98.24 10.45 26.00 97.90 10.60 2 0 1000.00 -999 ? >ASN~B 84 32.07 101.54 9.85 33.61 103.03 10.05 32.84 102.28 9.95 2 0 1000.00 -999 ? >PRO.B 85 30.65 104.74 5.49 31.45 102.66 5.81 31.05 103.70 5.65 3 0 1000.00 -999 ? >TYR^B 86 35.35 105.82 7.14 34.33 108.40 7.55 34.84 107.11 7.35 3 0 1000.00 -999 ? >ALA^B 87 37.87 101.53 4.16 37.15 100.74 3.01 37.51 101.14 3.58 2 0 1000.00 -999 ? >THR^B 88 41.55 101.56 3.20 43.06 102.61 4.40 42.30 102.09 3.80 2 0 1000.00 -999 ? >LEU^B 89 42.03 99.88 -1.24 41.86 98.63 -3.01 41.94 99.26 -2.12 3 0 1000.00 -999 ? >THR^B 90 46.31 98.58 -0.19 47.83 97.68 1.15 47.07 98.13 0.48 2 0 1000.00 -999 ? >MET?B 91 48.07 97.34 -3.36 45.09 98.88 -5.99 46.58 98.11 -4.68 2 0 1000.00 -999 ? >THR^B 92 51.70 96.38 -3.96 52.72 94.73 -2.87 52.21 95.56 -3.42 2 0 1000.00 -999 ? >LEU.B 93 54.99 96.65 -7.59 54.45 98.20 -9.05 54.72 97.42 -8.32 3 0 1000.00 -999 ? >ALA~B 94 54.72 92.50 -5.32 54.99 92.26 -3.84 54.85 92.38 -4.58 2 0 1000.00 -999 ? >GLN~B 95 49.57 92.29 -5.39 48.00 93.69 -5.28 48.78 92.99 -5.33 2 0 1000.00 -999 ? >THR~B 96 53.39 91.39 -10.20 53.47 93.55 -10.79 53.43 92.47 -10.49 2 0 1000.00 -999 ? >ASN~B 97 57.29 89.25 -12.11 58.76 87.82 -11.54 58.02 88.54 -11.83 2 0 1000.00 -999 ? >PHE~B 98 58.35 96.15 -10.12 59.97 98.47 -9.84 59.16 97.31 -9.98 3 0 1000.00 -999 ? >CSS~B 99 59.75 93.07 -7.01 57.89 94.67 -5.77 58.82 93.87 -6.39 2 0 1000.00 -999 ? >LYS~B 100 61.03 89.51 -7.57 58.71 85.59 -5.20 59.87 87.55 -6.39 2 0 1000.00 -999 ? >LYS~B 101 62.74 90.62 -10.79 63.29 93.83 -15.38 63.02 92.22 -13.08 2 0 1000.00 -999 ? >HIS~B 102 63.65 95.58 -10.24 63.08 96.37 -12.10 63.37 95.98 -11.17 3 0 1000.00 -999 ? >GLY~B 103 65.32 91.67 -5.84 64.84 92.36 -5.88 65.08 92.02 -5.86 1 0 1000.00 -999 ? >PHE.B 104 63.13 96.22 -5.32 64.42 97.97 -7.14 63.77 97.10 -6.23 3 0 1000.00 -999 ? >ASP.B 105 62.43 93.00 0.88 61.45 91.73 2.27 61.94 92.37 1.57 2 0 1000.00 -999 ? >PRO.B 106 57.88 90.83 -0.27 58.67 92.96 -0.37 58.27 91.89 -0.32 3 0 1000.00 -999 ? >GLN.B 107 58.07 95.94 5.11 58.29 95.09 7.07 58.18 95.52 6.09 2 0 1000.00 -999 ? >SER.B 108 61.13 97.67 0.91 62.98 98.32 -0.60 62.06 97.99 0.16 2 0 1000.00 -999 ? >PRO.B 109 61.43 101.96 1.03 60.10 100.43 0.08 60.77 101.19 0.55 3 0 1000.00 -999 ? >LEU.B 110 62.90 99.58 -3.84 64.63 100.97 -3.73 63.77 100.28 -3.78 3 0 1000.00 -999 ? >CSS.B 111 58.80 97.48 -3.91 57.39 95.09 -3.80 58.09 96.28 -3.86 2 0 1000.00 -999 ? >VAL.B 112 56.27 100.21 -4.48 56.13 101.89 -5.97 56.20 101.05 -5.23 3 0 1000.00 -999 ? >HIS^B 113 53.28 99.36 -0.03 53.97 99.95 1.86 53.62 99.66 0.91 3 0 1000.00 -999 ? >ILE^B 114 49.69 103.26 -3.27 49.42 103.37 -4.72 49.56 103.31 -3.99 3 0 1000.00 -999 ? >MET?B 115 47.23 102.99 0.38 50.23 102.46 2.14 48.73 102.73 1.26 2 0 1000.00 -999 ? >LEU^B 116 43.42 104.31 -2.12 44.35 104.56 -4.06 43.88 104.43 -3.09 3 0 1000.00 -999 ? >SER^B 117 41.49 105.43 2.00 41.11 105.58 4.39 41.30 105.51 3.19 2 0 1000.00 -999 ? >GLY^B 118 37.90 106.77 1.77 37.92 105.99 2.16 37.91 106.38 1.97 1 0 1000.00 -999 ? >THR^B 119 34.42 105.33 1.71 33.28 107.11 2.08 33.85 106.22 1.90 2 0 1000.00 -999 ? >VAL^B 120 32.98 102.46 -0.23 33.87 100.42 -0.60 33.43 101.44 -0.41 3 0 1000.00 -999 ? >THR^B 121 29.61 103.09 -1.96 29.76 105.30 -2.12 29.69 104.19 -2.04 2 0 1000.00 -999 ? >LYS^B 122 27.31 101.36 -4.39 24.43 98.21 -0.59 25.87 99.79 -2.49 2 0 1000.00 -999 ? >VAL.B 123 27.91 102.91 -7.81 29.37 102.47 -9.44 28.64 102.69 -8.63 3 0 1000.00 -999 ? >ASN.B 124 24.90 106.61 -9.11 26.18 107.74 -10.40 25.54 107.17 -9.76 2 0 1000.00 -999 ? >GLU.B 125 21.50 106.50 -12.03 19.55 107.28 -12.39 20.52 106.89 -12.21 2 0 1000.00 -999 ? >THR.B 126 25.30 106.93 -14.53 25.15 109.04 -13.79 25.23 107.98 -14.16 2 0 1000.00 -999 ? >GLU~B 127 30.76 105.64 -12.46 31.67 106.29 -10.69 31.22 105.96 -11.57 2 0 1000.00 -999 ? >MET?B 128 27.08 101.65 -13.64 23.74 99.30 -13.12 25.41 100.47 -13.38 2 0 1000.00 -999 ? >ASP~B 129 27.53 101.72 -18.51 25.62 100.94 -19.07 26.58 101.33 -18.79 2 0 1000.00 -999 ? >ILE~B 130 32.29 103.58 -16.75 33.06 103.64 -16.83 32.67 103.61 -16.79 3 0 1000.00 -999 ? >ALA~B 131 32.01 100.11 -13.61 31.16 100.27 -12.39 31.58 100.19 -13.00 2 0 1000.00 -999 ? >LYS~B 132 30.61 97.01 -15.26 26.01 93.28 -17.58 28.31 95.15 -16.42 2 0 1000.00 -999 ? >HIS~B 133 33.50 98.26 -20.57 34.57 97.82 -22.32 34.03 98.04 -21.45 3 0 1000.00 -999 ? >SER~B 134 35.96 98.14 -16.30 36.21 100.52 -16.03 36.08 99.33 -16.16 2 0 1000.00 -999 ? >LEU~B 135 34.31 95.04 -12.90 34.57 95.72 -10.88 34.44 95.38 -11.89 3 0 1000.00 -999 ? >PHE~B 136 31.53 92.14 -16.08 29.49 91.52 -14.23 30.51 91.83 -15.15 3 0 1000.00 -999 ? >ILE~B 137 37.14 94.33 -19.86 36.89 93.84 -21.17 37.02 94.09 -20.52 3 0 1000.00 -999 ? >ARG~B 138 42.41 94.04 -15.30 43.11 96.76 -14.07 42.76 95.40 -14.68 2 0 1000.00 -999 ? >HIS~B 139 38.35 90.89 -12.27 39.97 91.56 -11.11 39.16 91.22 -11.69 3 0 1000.00 -999 ? >PRO~B 140 37.82 87.62 -18.21 36.22 88.00 -16.69 37.02 87.81 -17.45 3 0 1000.00 -999 ? >GLU~B 141 34.99 83.53 -12.42 36.21 82.87 -10.81 35.60 83.20 -11.62 2 0 1000.00 -999 ? >MET?B 142 32.37 87.75 -12.83 34.04 91.41 -11.40 33.21 89.58 -12.11 2 0 1000.00 -999 ? >LYS~B 143 29.89 87.17 -15.72 33.95 89.49 -19.81 31.92 88.33 -17.77 2 0 1000.00 -999 ? >THR~B 144 29.47 83.64 -14.33 31.41 82.73 -14.89 30.44 83.18 -14.61 2 0 1000.00 -999 ? >TRP~B 145 32.01 84.85 -10.35 33.51 87.90 -8.32 32.76 86.38 -9.34 3 0 1000.00 -999 ? >PRO~B 146 27.37 82.47 -7.11 26.62 83.34 -9.08 27.00 82.91 -8.10 3 0 1000.00 -999 ? >SER~B 147 22.97 85.58 -9.57 21.11 84.31 -10.42 22.04 84.95 -9.99 2 0 1000.00 -999 ? >SER~B 148 21.40 84.64 -6.22 22.22 82.61 -5.11 21.81 83.63 -5.66 2 0 1000.00 -999 ? >HIS~B 149 25.99 84.54 -4.06 26.56 82.58 -3.57 26.28 83.56 -3.81 3 0 1000.00 -999 ? >ASN~B 150 21.97 89.99 -4.08 20.60 91.60 -4.19 21.29 90.79 -4.14 2 0 1000.00 -999 ? >TRP.B 151 26.59 88.09 -8.15 29.61 87.74 -5.62 28.10 87.92 -6.88 3 0 1000.00 -999 ? >PHE^B 152 26.16 95.90 -4.51 27.45 95.95 -2.01 26.81 95.92 -3.26 3 0 1000.00 -999 ? >PHE^B 153 28.64 97.10 -10.86 28.30 95.21 -12.89 28.47 96.15 -11.87 3 0 1000.00 -999 ? >ALA^B 154 30.74 99.52 -5.86 30.80 98.81 -4.48 30.77 99.17 -5.17 2 0 1000.00 -999 ? >LYS^B 155 33.62 101.97 -5.68 32.51 107.62 -7.78 33.06 104.79 -6.73 2 0 1000.00 -999 ? >LEU^B 156 37.58 103.02 -3.11 38.76 103.32 -1.33 38.17 103.17 -2.22 3 0 1000.00 -999 ? >ASN^B 157 34.34 107.96 -2.50 32.54 107.13 -3.38 33.44 107.54 -2.94 2 0 1000.00 -999 ? >ILE^B 158 40.31 108.08 -3.35 41.38 107.38 -3.99 40.85 107.73 -3.67 3 0 1000.00 -999 ? >THR^B 159 39.93 110.99 0.25 38.45 110.54 1.87 39.19 110.77 1.06 2 0 1000.00 -999 ? >ASN^B 160 43.61 109.92 2.81 42.59 111.45 3.91 43.10 110.68 3.36 2 0 1000.00 -999 ? >ILE^B 161 46.55 109.01 -1.98 46.31 108.80 -3.45 46.43 108.91 -2.71 3 0 1000.00 -999 ? >TRP^B 162 49.96 108.22 4.22 46.04 107.64 4.43 48.00 107.93 4.32 3 0 1000.00 -999 ? >VAL^B 163 52.63 106.35 -1.63 52.67 106.94 -3.75 52.65 106.65 -2.69 3 0 1000.00 -999 ? >LEU^B 164 55.50 103.24 0.65 54.91 104.45 2.50 55.21 103.85 1.57 3 0 1000.00 -999 ? >ASP.B 165 57.49 104.90 -4.75 57.74 107.04 -4.92 57.62 105.97 -4.84 2 0 1000.00 -999 ? >TYR.B 166 63.33 106.80 -2.84 66.13 106.83 -3.13 64.73 106.81 -2.98 3 0 1000.00 -999 ? >PHE.B 167 65.23 104.38 0.97 66.23 102.03 -0.17 65.73 103.20 0.40 3 0 1000.00 -999 ? >GLY.B 168 61.83 108.20 3.86 61.35 107.53 3.71 61.59 107.86 3.79 1 0 1000.00 -999 ? >GLY.B 169 58.25 109.01 4.81 58.53 108.82 4.06 58.39 108.91 4.44 1 0 1000.00 -999 ? >PRO.B 170 54.32 106.96 4.83 55.61 108.06 3.38 54.96 107.51 4.11 3 0 1000.00 -999 ? >LYS^B 171 54.48 110.55 0.11 59.15 109.74 -4.09 56.82 110.14 -1.99 2 0 1000.00 -999 ? >ILE^B 172 50.69 113.07 1.70 49.70 113.27 2.90 50.19 113.17 2.30 3 0 1000.00 -999 ? >VAL^B 173 49.04 112.68 -2.67 49.58 111.51 -4.44 49.31 112.09 -3.56 3 0 1000.00 -999 ? >THR~B 174 45.68 114.55 -2.88 46.04 116.71 -3.31 45.86 115.63 -3.10 2 0 1000.00 -999 ? >PRO~B 175 41.63 112.92 -2.53 43.15 113.22 -4.12 42.39 113.07 -3.32 3 0 1000.00 -999 ? >GLU~B 176 42.16 118.28 -7.78 42.15 120.36 -7.41 42.15 119.32 -7.60 2 0 1000.00 -999 ? >GLU~B 177 48.15 116.82 -6.45 49.03 116.89 -4.47 48.59 116.85 -5.46 2 0 1000.00 -999 ? >TYR~B 178 44.80 109.30 -7.48 44.15 106.60 -7.93 44.47 107.95 -7.71 3 0 1000.00 -999 ? >TYR~B 179 40.77 111.23 -9.56 39.77 108.90 -8.51 40.27 110.07 -9.04 3 0 1000.00 -999 ? >ASN~B 180 44.98 116.24 -11.96 43.61 117.87 -12.15 44.30 117.05 -12.06 2 0 1000.00 -999 ? >VAL~B 181 47.04 112.48 -13.99 48.56 111.10 -13.06 47.80 111.79 -13.53 3 0 1000.00 -999 ? >THR.B 182 46.51 111.40 -17.60 48.24 112.17 -18.68 47.38 111.79 -18.14 2 0 1000.00 -999 ? >SER.C 12 13.97 64.92 -34.01 13.26 65.58 -36.30 13.61 65.25 -35.15 2 0 1000.00 -999 ? >LEU.C 13 18.54 66.04 -35.34 20.67 66.50 -34.99 19.60 66.27 -35.17 3 0 1000.00 -999 ? >PRO.C 14 17.30 70.58 -32.79 17.17 69.83 -34.90 17.24 70.21 -33.85 3 0 1000.00 -999 ? >PRO.C 15 16.86 73.37 -38.47 18.40 71.99 -37.62 17.63 72.68 -38.05 3 0 1000.00 -999 ? >ARG.C 16 23.63 68.10 -39.58 24.04 65.52 -37.91 23.83 66.81 -38.74 2 0 1000.00 -999 ? >GLU.C 17 21.07 76.22 -39.57 20.09 76.33 -41.45 20.58 76.28 -40.51 2 0 1000.00 -999 ? >ASP~C 18 19.70 76.25 -35.22 19.00 77.36 -33.43 19.35 76.80 -34.32 2 0 1000.00 -999 ? >ALA~C 19 24.04 75.16 -33.01 25.48 75.64 -33.09 24.76 75.40 -33.05 2 0 1000.00 -999 ? >ALA~C 20 22.32 76.36 -29.80 21.86 77.76 -29.49 22.09 77.06 -29.65 2 0 1000.00 -999 ? >ARG~C 21 15.74 74.50 -32.54 14.39 77.06 -31.49 15.06 75.78 -32.02 2 0 1000.00 -999 ? >VAL~C 22 21.13 71.39 -31.41 22.33 70.61 -33.09 21.73 71.00 -32.25 3 0 1000.00 -999 ? >ALA~C 23 23.09 71.64 -28.11 23.90 72.81 -27.67 23.49 72.23 -27.89 2 0 1000.00 -999 ? >ARG~C 24 19.28 74.40 -23.98 16.58 75.76 -23.33 17.93 75.08 -23.65 2 0 1000.00 -999 ? >PHE~C 25 17.71 67.49 -29.94 16.61 65.03 -30.71 17.16 66.26 -30.33 3 0 1000.00 -999 ? >VAL~C 26 21.45 66.73 -27.03 23.40 66.33 -28.04 22.42 66.53 -27.53 3 0 1000.00 -999 ? >THR~C 27 21.32 67.83 -23.38 21.99 69.48 -22.17 21.65 68.65 -22.78 2 0 1000.00 -999 ? >HIS~C 28 15.14 67.56 -23.36 13.33 67.06 -22.42 14.24 67.31 -22.89 3 0 1000.00 -999 ? >VAL~C 29 17.67 63.58 -24.77 17.75 63.72 -26.98 17.71 63.65 -25.87 3 0 1000.00 -999 ? >SER~C 30 20.64 62.45 -22.67 22.48 63.36 -23.93 21.56 62.90 -23.30 2 0 1000.00 -999 ? >ASP.C 31 19.12 59.17 -19.37 17.27 59.30 -20.50 18.20 59.24 -19.93 2 0 1000.00 -999 ? >TRP^C 32 23.20 57.36 -20.31 26.93 57.00 -21.53 25.06 57.18 -20.92 3 0 1000.00 -999 ? >GLY^C 33 26.99 61.72 -19.73 27.10 61.30 -19.00 27.04 61.51 -19.36 1 0 1000.00 -999 ? >ALA^C 34 30.70 61.52 -19.13 31.69 60.85 -20.14 31.20 61.18 -19.63 2 0 1000.00 -999 ? >LEU^C 35 31.56 64.31 -15.46 31.28 66.20 -14.47 31.42 65.26 -14.97 3 0 1000.00 -999 ? >ALA^C 36 35.93 64.98 -16.86 36.63 65.51 -18.11 36.28 65.25 -17.49 2 0 1000.00 -999 ? >THR^C 37 37.48 66.23 -13.65 36.10 65.26 -12.23 36.79 65.74 -12.94 2 0 1000.00 -999 ? >ILE^C 38 41.65 67.91 -11.84 42.65 68.87 -12.01 42.15 68.39 -11.92 3 0 1000.00 -999 ? >SER.C 39 41.85 63.52 -10.12 42.52 61.27 -9.66 42.18 62.39 -9.89 2 0 1000.00 -999 ? >THR.C 40 42.60 63.79 -6.40 40.83 64.78 -5.59 41.72 64.29 -6.00 2 0 1000.00 -999 ? >LEU~C 41 43.23 58.94 -7.00 41.37 57.83 -7.06 42.30 58.38 -7.03 3 0 1000.00 -999 ? >GLU~C 42 48.27 59.89 -2.59 50.38 59.81 -2.49 49.33 59.85 -2.54 2 0 1000.00 -999 ? >ALA~C 43 48.22 57.28 -7.75 47.57 55.91 -8.02 47.90 56.59 -7.88 2 0 1000.00 -999 ? >VAL~C 44 46.99 59.76 -10.42 45.52 58.46 -11.43 46.25 59.11 -10.92 3 0 1000.00 -999 ? >ARG~C 45 47.82 65.40 -5.50 46.25 63.76 -3.34 47.03 64.58 -4.42 2 0 1000.00 -999 ? >GLY.C 46 46.42 66.15 -11.05 46.17 65.41 -11.25 46.29 65.78 -11.15 1 0 1000.00 -999 ? >ARG.C 47 48.31 61.59 -13.15 50.78 59.92 -12.30 49.54 60.76 -12.72 2 0 1000.00 -999 ? >PRO^C 48 43.95 63.87 -17.89 43.14 64.14 -15.80 43.54 64.01 -16.84 3 0 1000.00 -999 ? >PHE^C 49 39.13 60.38 -12.76 38.28 57.94 -11.71 38.71 59.16 -12.23 3 0 1000.00 -999 ? >ALA^C 50 36.64 60.47 -16.63 36.74 60.05 -18.14 36.69 60.26 -17.38 2 0 1000.00 -999 ? >ASP^C 51 33.48 59.69 -13.63 32.46 58.47 -12.15 32.97 59.08 -12.89 2 0 1000.00 -999 ? >VAL^C 52 29.81 58.35 -15.84 29.10 56.67 -17.12 29.45 57.51 -16.48 3 0 1000.00 -999 ? >LEU^C 53 27.33 61.83 -13.94 28.56 62.34 -12.20 27.94 62.08 -13.07 3 0 1000.00 -999 ? >SER^C 54 23.18 60.25 -14.55 22.05 58.13 -14.10 22.62 59.19 -14.33 2 0 1000.00 -999 ? >LEU.C 55 22.70 64.39 -16.34 23.14 64.70 -18.40 22.92 64.55 -17.37 3 0 1000.00 -999 ? >SER.C 56 18.47 65.37 -16.37 16.03 65.29 -16.12 17.25 65.33 -16.25 2 0 1000.00 -999 ? >ASP.C 57 18.10 69.53 -18.74 16.89 69.09 -20.47 17.50 69.31 -19.60 2 0 1000.00 -999 ? >GLY.C 58 13.78 68.30 -16.90 14.10 67.64 -17.26 13.94 67.97 -17.08 1 0 1000.00 -999 ? >PRO.C 59 9.51 67.82 -16.56 11.22 66.65 -17.49 10.37 67.23 -17.02 3 0 1000.00 -999 ? >PRO.C 60 9.04 63.03 -20.32 10.04 65.04 -20.61 9.54 64.04 -20.47 3 0 1000.00 -999 ? >GLY.C 61 8.20 68.22 -22.41 8.76 68.28 -21.86 8.48 68.25 -22.14 1 0 1000.00 -999 ? >ALA.C 62 10.33 70.73 -20.52 9.45 71.19 -19.34 9.89 70.96 -19.93 2 0 1000.00 -999 ? >GLY.C 63 14.10 70.63 -20.86 13.66 71.30 -20.91 13.88 70.96 -20.88 1 0 1000.00 -999 ? >SER.C 64 15.77 73.70 -19.37 16.80 73.26 -17.20 16.28 73.48 -18.28 2 0 1000.00 -999 ? >GLY.C 65 19.27 72.88 -20.67 19.01 72.80 -19.88 19.14 72.84 -20.28 1 0 1000.00 -999 ? >VAL.C 66 20.47 72.86 -17.00 20.09 74.27 -15.25 20.28 73.57 -16.12 3 0 1000.00 -999 ? >PRO.C 67 23.96 70.35 -17.79 22.15 70.19 -16.52 23.05 70.27 -17.16 3 0 1000.00 -999 ? >TYR^C 68 19.19 69.80 -12.32 18.00 72.32 -12.44 18.59 71.06 -12.38 3 0 1000.00 -999 ? >PHE^C 69 25.24 66.19 -12.13 26.36 67.18 -14.52 25.80 66.69 -13.33 3 0 1000.00 -999 ? >TYR^C 70 20.50 62.34 -6.49 19.19 61.89 -4.03 19.84 62.12 -5.26 3 0 1000.00 -999 ? >LEU^C 71 26.70 63.99 -6.51 27.25 64.48 -8.54 26.98 64.24 -7.52 3 0 1000.00 -999 ? >SER.C 72 27.26 61.42 -2.90 27.95 59.32 -1.79 27.60 60.37 -2.35 2 0 1000.00 -999 ? >PRO.C 73 28.98 63.33 0.72 29.73 62.45 -1.24 29.35 62.89 -0.26 3 0 1000.00 -999 ? >LEU.C 74 30.83 57.71 -1.11 30.48 56.90 0.96 30.66 57.31 -0.07 3 0 1000.00 -999 ? >GLN~C 75 29.70 59.17 -6.46 28.37 60.19 -7.70 29.03 59.68 -7.08 2 0 1000.00 -999 ? >LEU~C 76 35.92 58.58 -7.89 36.95 56.65 -7.52 36.43 57.61 -7.70 3 0 1000.00 -999 ? >SER~C 77 34.08 62.49 -9.10 33.45 61.75 -11.31 33.76 62.12 -10.20 2 0 1000.00 -999 ? >VAL~C 78 32.72 64.37 -6.09 30.81 64.38 -4.90 31.76 64.38 -5.50 3 0 1000.00 -999 ? >SER~C 79 36.03 63.98 -4.16 38.17 62.95 -3.55 37.10 63.46 -3.86 2 0 1000.00 -999 ? >ASN~C 80 37.61 65.02 -8.70 38.66 63.18 -8.87 38.13 64.10 -8.78 2 0 1000.00 -999 ? >LEU~C 81 33.50 68.19 -7.79 32.73 67.93 -9.82 33.12 68.06 -8.80 3 0 1000.00 -999 ? >GLN~C 82 34.00 67.71 -2.27 32.85 69.34 -1.55 33.42 68.53 -1.91 2 0 1000.00 -999 ? >GLU~C 83 40.30 68.11 -3.46 39.90 68.95 -1.54 40.10 68.53 -2.50 2 0 1000.00 -999 ? >ASN~C 84 39.69 71.47 -8.96 39.86 72.84 -10.57 39.77 72.15 -9.77 2 0 1000.00 -999 ? >PRO.C 85 35.12 74.47 -8.22 35.58 72.37 -8.98 35.35 73.42 -8.60 3 0 1000.00 -999 ? >TYR^C 86 37.14 74.86 -13.45 37.14 77.67 -13.55 37.14 76.27 -13.50 3 0 1000.00 -999 ? >ALA^C 87 34.53 69.91 -15.05 33.45 69.18 -14.24 33.99 69.55 -14.64 2 0 1000.00 -999 ? >THR^C 88 33.54 69.17 -18.62 34.69 69.87 -20.31 34.12 69.52 -19.46 2 0 1000.00 -999 ? >LEU^C 89 29.14 67.57 -19.04 27.45 66.27 -18.46 28.29 66.92 -18.75 3 0 1000.00 -999 ? >THR^C 90 30.22 65.32 -22.85 31.66 64.07 -24.02 30.94 64.69 -23.44 2 0 1000.00 -999 ? >MET?C 91 27.15 63.69 -24.37 24.41 65.86 -21.85 25.78 64.77 -23.11 2 0 1000.00 -999 ? >THR^C 92 26.52 61.95 -27.71 27.72 60.20 -28.49 27.12 61.08 -28.10 2 0 1000.00 -999 ? >LEU.C 93 23.08 61.62 -31.08 21.61 63.27 -31.06 22.34 62.45 -31.07 3 0 1000.00 -999 ? >ALA~C 94 25.33 57.59 -29.95 26.80 57.26 -30.09 26.06 57.43 -30.02 2 0 1000.00 -999 ? >GLN~C 95 24.95 58.37 -24.77 25.00 60.15 -23.49 24.97 59.26 -24.13 2 0 1000.00 -999 ? >THR~C 96 20.32 56.89 -28.52 19.89 58.96 -29.18 20.11 57.93 -28.85 2 0 1000.00 -999 ? >ASN~C 97 18.34 53.97 -31.83 18.58 52.36 -33.24 18.46 53.17 -32.53 2 0 1000.00 -999 ? >PHE~C 98 20.42 60.39 -34.47 20.81 62.28 -36.53 20.61 61.33 -35.50 3 0 1000.00 -999 ? >CSS~C 99 23.68 57.14 -34.96 24.95 59.07 -33.44 24.32 58.10 -34.20 2 0 1000.00 -999 ? >LYS~C 100 23.05 53.37 -35.57 24.05 51.09 -30.30 23.55 52.23 -32.93 2 0 1000.00 -999 ? >LYS~C 101 19.88 54.18 -37.56 15.08 56.38 -39.87 17.48 55.28 -38.72 2 0 1000.00 -999 ? >HIS~C 102 20.50 58.54 -39.64 18.55 59.32 -39.56 19.53 58.93 -39.60 3 0 1000.00 -999 ? >GLY~C 103 25.04 54.39 -39.86 24.92 55.16 -39.67 24.98 54.78 -39.77 1 0 1000.00 -999 ? >PHE.C 104 25.42 59.48 -38.93 23.63 60.85 -40.65 24.53 60.17 -39.79 3 0 1000.00 -999 ? >ASP.C 105 31.65 56.61 -37.38 33.04 55.58 -36.15 32.35 56.10 -36.77 2 0 1000.00 -999 ? >PRO.C 106 30.36 55.26 -32.55 30.27 57.21 -33.76 30.31 56.23 -33.16 3 0 1000.00 -999 ? >GLN.C 107 35.79 60.22 -33.64 37.72 59.34 -33.64 36.76 59.78 -33.64 2 0 1000.00 -999 ? >SER.C 108 31.59 61.36 -37.09 30.03 61.53 -38.96 30.81 61.44 -38.02 2 0 1000.00 -999 ? >PRO.C 109 31.83 65.56 -38.25 30.72 64.35 -36.73 31.27 64.96 -37.49 3 0 1000.00 -999 ? >LEU.C 110 26.90 62.94 -39.42 26.94 64.07 -41.34 26.92 63.51 -40.38 3 0 1000.00 -999 ? >CSS.C 111 26.74 61.62 -34.90 26.84 59.62 -32.94 26.79 60.62 -33.92 2 0 1000.00 -999 ? >VAL.C 112 26.10 64.75 -32.86 24.71 66.43 -33.23 25.41 65.59 -33.04 3 0 1000.00 -999 ? >HIS^C 113 30.51 64.70 -29.83 32.30 65.21 -30.79 31.40 64.95 -30.31 3 0 1000.00 -999 ? >ILE^C 114 27.23 69.12 -27.16 25.80 69.26 -26.96 26.51 69.19 -27.06 3 0 1000.00 -999 ? >MET?C 115 30.84 69.35 -24.60 32.82 68.29 -27.44 31.83 68.82 -26.02 2 0 1000.00 -999 ? >LEU^C 116 28.30 71.37 -21.16 26.34 71.52 -22.11 27.32 71.44 -21.64 3 0 1000.00 -999 ? >SER^C 117 32.40 73.09 -19.57 34.73 73.44 -19.02 33.57 73.27 -19.29 2 0 1000.00 -999 ? >GLY^C 118 31.96 74.99 -16.31 32.28 74.22 -16.14 32.12 74.60 -16.22 1 0 1000.00 -999 ? >THR^C 119 31.67 74.26 -12.58 31.99 76.29 -11.74 31.83 75.28 -12.16 2 0 1000.00 -999 ? >VAL^C 120 29.64 71.71 -10.65 29.46 69.63 -11.17 29.55 70.67 -10.91 3 0 1000.00 -999 ? >THR^C 121 28.01 73.15 -7.57 27.98 75.25 -8.27 27.99 74.20 -7.92 2 0 1000.00 -999 ? >LYS^C 122 25.47 72.10 -5.00 29.05 69.96 -1.52 27.26 71.03 -3.26 2 0 1000.00 -999 ? >VAL.C 123 21.95 73.23 -5.87 20.34 72.38 -7.14 21.15 72.81 -6.50 3 0 1000.00 -999 ? >ASN.C 124 20.98 76.93 -2.85 19.92 78.47 -3.86 20.45 77.70 -3.35 2 0 1000.00 -999 ? >GLU.C 125 17.14 76.88 0.77 19.19 77.26 1.18 18.16 77.07 0.98 2 0 1000.00 -999 ? >THR.C 126 15.37 77.48 -3.73 16.32 79.43 -3.70 15.85 78.45 -3.71 2 0 1000.00 -999 ? >GLU~C 127 17.72 74.94 -8.75 19.32 75.77 -9.85 18.52 75.36 -9.30 2 0 1000.00 -999 ? >MET?C 128 16.22 71.76 -4.93 14.52 69.06 -2.83 15.37 70.41 -3.88 2 0 1000.00 -999 ? >ASP~C 129 11.40 71.61 -5.39 11.26 71.33 -3.29 11.33 71.47 -4.34 2 0 1000.00 -999 ? >ILE~C 130 13.42 72.94 -10.33 13.58 73.81 -11.19 13.50 73.38 -10.76 3 0 1000.00 -999 ? >ALA~C 131 16.43 69.50 -9.59 17.71 69.76 -8.80 17.07 69.63 -9.19 2 0 1000.00 -999 ? >LYS~C 132 14.68 66.71 -7.72 12.39 64.30 -2.35 13.53 65.50 -5.03 2 0 1000.00 -999 ? >HIS~C 133 9.39 67.23 -10.91 7.83 66.62 -12.18 8.61 66.92 -11.54 3 0 1000.00 -999 ? >SER~C 134 13.76 66.78 -13.21 14.00 69.07 -13.81 13.88 67.92 -13.51 2 0 1000.00 -999 ? >LEU~C 135 17.11 64.07 -10.84 19.14 64.81 -11.35 18.13 64.44 -11.09 3 0 1000.00 -999 ? >PHE~C 136 13.93 61.79 -7.59 15.70 61.77 -5.40 14.82 61.78 -6.50 3 0 1000.00 -999 ? >ILE~C 137 10.26 62.75 -13.53 8.97 62.28 -13.72 9.61 62.52 -13.62 3 0 1000.00 -999 ? >ARG~C 138 14.61 61.73 -18.56 16.07 63.99 -19.98 15.34 62.86 -19.27 2 0 1000.00 -999 ? >HIS~C 139 17.88 59.29 -13.81 19.05 59.53 -15.53 18.47 59.41 -14.67 3 0 1000.00 -999 ? >PRO~C 140 11.92 56.03 -12.66 13.52 56.79 -11.23 12.72 56.41 -11.95 3 0 1000.00 -999 ? >GLU~C 141 17.72 52.55 -9.04 19.42 51.89 -10.12 18.57 52.22 -9.58 2 0 1000.00 -999 ? >MET?C 142 17.16 57.41 -7.26 18.66 60.63 -9.75 17.91 59.02 -8.50 2 0 1000.00 -999 ? >LYS~C 143 14.23 57.47 -4.81 10.37 58.54 -8.74 12.30 58.01 -6.78 2 0 1000.00 -999 ? >THR~C 144 15.57 54.04 -3.65 15.01 52.59 -5.26 15.29 53.31 -4.45 2 0 1000.00 -999 ? >TRP~C 145 19.81 54.67 -6.28 21.77 57.38 -8.41 20.79 56.03 -7.34 3 0 1000.00 -999 ? >PRO~C 146 22.50 53.56 -0.73 20.50 54.59 -0.41 21.50 54.08 -0.57 3 0 1000.00 -999 ? >SER~C 147 20.01 57.77 2.47 18.83 57.10 4.49 19.42 57.44 3.48 2 0 1000.00 -999 ? >SER~C 148 23.15 56.94 4.45 24.13 54.73 4.13 23.64 55.83 4.29 2 0 1000.00 -999 ? >HIS~C 149 25.53 55.80 0.10 25.99 53.76 -0.04 25.76 54.78 0.03 3 0 1000.00 -999 ? >ASN~C 150 25.36 62.14 2.76 25.41 61.36 4.77 25.39 61.75 3.77 2 0 1000.00 -999 ? >TRP.C 151 21.80 59.09 -1.51 24.19 58.04 -4.51 23.00 58.57 -3.01 3 0 1000.00 -999 ? >PHE^C 152 25.21 66.73 -2.74 27.81 66.43 -3.84 26.51 66.58 -3.29 3 0 1000.00 -999 ? >PHE^C 153 19.03 67.37 -5.70 17.07 65.39 -5.20 18.05 66.38 -5.45 3 0 1000.00 -999 ? >ALA^C 154 24.12 69.46 -7.95 25.45 68.69 -7.94 24.78 69.08 -7.95 2 0 1000.00 -999 ? >LYS^C 155 24.17 71.21 -11.34 21.91 77.29 -10.08 23.04 74.25 -10.71 2 0 1000.00 -999 ? >LEU^C 156 26.97 71.30 -15.31 28.79 71.38 -16.51 27.88 71.34 -15.91 3 0 1000.00 -999 ? >ASN^C 157 27.68 76.80 -13.26 26.75 76.48 -11.40 27.21 76.64 -12.33 2 0 1000.00 -999 ? >ILE^C 158 27.04 75.85 -19.05 26.39 75.12 -20.08 26.72 75.48 -19.56 3 0 1000.00 -999 ? >THR^C 159 30.71 78.69 -19.15 32.33 78.42 -17.63 31.52 78.55 -18.39 2 0 1000.00 -999 ? >ASN^C 160 33.27 76.94 -22.54 34.38 78.60 -21.84 33.83 77.77 -22.19 2 0 1000.00 -999 ? >ILE^C 161 28.47 75.39 -25.28 27.09 75.26 -25.14 27.78 75.33 -25.21 3 0 1000.00 -999 ? >TRP^C 162 34.72 74.12 -28.32 34.98 74.32 -24.39 34.85 74.22 -26.36 3 0 1000.00 -999 ? >VAL^C 163 29.00 71.53 -30.65 26.89 72.05 -30.88 27.94 71.79 -30.76 3 0 1000.00 -999 ? >LEU^C 164 31.24 67.89 -32.88 33.16 68.99 -32.56 32.20 68.44 -32.72 3 0 1000.00 -999 ? >ASP.C 165 25.94 69.11 -35.10 25.70 71.23 -35.65 25.82 70.17 -35.37 2 0 1000.00 -999 ? >TYR.C 166 27.92 69.96 -41.22 27.55 69.47 -43.96 27.73 69.71 -42.59 3 0 1000.00 -999 ? >PHE.C 167 31.83 67.34 -42.57 30.35 65.04 -43.23 31.09 66.19 -42.90 3 0 1000.00 -999 ? >GLY.C 168 34.62 72.04 -40.13 34.52 71.58 -39.51 34.57 71.81 -39.82 1 0 1000.00 -999 ? >GLY.C 169 35.47 71.78 -36.44 34.75 71.99 -36.68 35.11 71.88 -36.56 1 0 1000.00 -999 ? >PRO.C 170 35.86 72.60 -32.26 34.14 72.55 -33.74 35.00 72.58 -33.00 3 0 1000.00 -999 ? >LYS^C 171 30.84 75.30 -33.29 26.73 73.72 -37.78 28.79 74.51 -35.54 2 0 1000.00 -999 ? >ILE^C 172 32.23 78.62 -30.10 33.50 79.13 -29.64 32.86 78.88 -29.87 3 0 1000.00 -999 ? >VAL^C 173 27.83 78.49 -28.48 25.98 77.21 -28.62 26.90 77.85 -28.55 3 0 1000.00 -999 ? >THR~C 174 27.64 81.04 -25.64 27.36 83.06 -26.42 27.50 82.05 -26.03 2 0 1000.00 -999 ? >PRO~C 175 27.82 80.44 -21.37 26.24 80.30 -22.97 27.03 80.37 -22.17 3 0 1000.00 -999 ? >GLU~C 176 22.76 85.46 -22.84 23.12 87.45 -23.50 22.94 86.46 -23.17 2 0 1000.00 -999 ? >GLU~C 177 24.00 82.73 -28.56 25.95 82.71 -29.45 24.97 82.72 -29.01 2 0 1000.00 -999 ? >TYR~C 178 22.93 76.01 -23.86 22.44 73.54 -22.60 22.68 74.77 -23.23 3 0 1000.00 -999 ? >TYR~C 179 20.77 78.75 -20.35 21.81 76.70 -18.79 21.29 77.72 -19.57 3 0 1000.00 -999 ? >ASN~C 180 18.51 83.09 -25.50 18.66 84.59 -23.90 18.58 83.84 -24.70 2 0 1000.00 -999 ? >VAL~C 181 16.58 78.85 -27.05 17.42 77.12 -28.20 17.00 77.98 -27.63 3 0 1000.00 -999 ? >THR.C 182 12.78 78.60 -26.47 11.67 80.00 -25.06 12.23 79.30 -25.76 2 0 1000.00 -999 ? >GLY.D 11 28.63 36.93 -24.56 28.17 36.54 -23.97 28.40 36.73 -24.27 1 0 1000.00 -999 ? >SER.D 12 27.13 37.72 -21.14 26.66 35.76 -19.81 26.89 36.74 -20.47 2 0 1000.00 -999 ? >LEU.D 13 27.71 40.63 -17.30 28.49 42.44 -16.26 28.10 41.54 -16.78 3 0 1000.00 -999 ? >PRO.D 14 32.74 38.85 -17.69 30.83 38.22 -16.61 31.78 38.53 -17.15 3 0 1000.00 -999 ? >PRO.D 15 31.54 35.03 -12.89 30.90 37.17 -13.12 31.22 36.10 -13.00 3 0 1000.00 -999 ? >ARG.D 16 27.50 42.44 -10.61 26.14 44.20 -12.58 26.82 43.32 -11.59 2 0 1000.00 -999 ? >GLU.D 17 33.65 37.10 -7.83 34.27 35.65 -6.38 33.96 36.38 -7.10 2 0 1000.00 -999 ? >ASP~D 18 35.85 37.82 -12.23 35.46 35.89 -11.28 35.66 36.86 -11.75 2 0 1000.00 -999 ? >ALA~D 19 36.81 42.68 -11.77 37.38 43.60 -10.75 37.09 43.14 -11.26 2 0 1000.00 -999 ? >ALA~D 20 39.55 41.90 -14.26 40.84 41.10 -14.03 40.19 41.50 -14.15 2 0 1000.00 -999 ? >ARG~D 21 36.86 35.83 -15.80 34.17 34.26 -16.12 35.52 35.04 -15.96 2 0 1000.00 -999 ? >VAL~D 22 34.41 42.37 -16.14 32.94 42.89 -14.53 33.67 42.63 -15.34 3 0 1000.00 -999 ? >ALA~D 23 36.86 45.12 -17.24 38.17 45.57 -16.58 37.52 45.35 -16.91 2 0 1000.00 -999 ? >ARG~D 24 41.04 42.64 -21.13 42.22 40.27 -22.65 41.63 41.46 -21.89 2 0 1000.00 -999 ? >PHE~D 25 31.94 41.73 -20.81 29.30 41.45 -21.85 30.62 41.59 -21.33 3 0 1000.00 -999 ? >VAL~D 26 33.37 46.21 -21.03 32.64 47.56 -19.50 33.00 46.89 -20.26 3 0 1000.00 -999 ? >THR~D 27 36.35 47.30 -23.12 38.44 47.65 -22.78 37.39 47.48 -22.95 2 0 1000.00 -999 ? >HIS~D 28 35.71 42.39 -26.90 35.64 41.64 -28.86 35.68 42.02 -27.88 3 0 1000.00 -999 ? >VAL~D 29 31.79 45.36 -26.05 30.71 44.53 -24.32 31.25 44.94 -25.19 3 0 1000.00 -999 ? >SER~D 30 32.25 49.13 -26.33 32.58 49.69 -24.00 32.42 49.41 -25.16 2 0 1000.00 -999 ? >ASP.D 31 31.33 50.77 -30.78 30.77 48.75 -31.34 31.05 49.76 -31.06 2 0 1000.00 -999 ? >TRP^D 32 29.76 54.41 -28.89 29.11 56.88 -25.85 29.44 55.65 -27.37 3 0 1000.00 -999 ? >GLY^D 33 34.11 55.84 -25.05 34.16 56.44 -25.69 34.13 56.14 -25.37 1 0 1000.00 -999 ? >ALA^D 34 34.75 59.23 -23.42 33.74 59.86 -22.44 34.24 59.54 -22.93 2 0 1000.00 -999 ? >LEU^D 35 39.30 60.29 -24.23 41.38 59.67 -24.45 40.34 59.98 -24.34 3 0 1000.00 -999 ? >ALA^D 36 39.36 62.96 -20.43 39.07 62.82 -18.91 39.21 62.89 -19.67 2 0 1000.00 -999 ? >THR^D 37 42.43 65.14 -21.17 42.27 65.01 -23.31 42.35 65.07 -22.24 2 0 1000.00 -999 ? >ILE^D 38 45.19 68.68 -19.22 44.85 69.09 -17.80 45.02 68.88 -18.51 3 0 1000.00 -999 ? >SER.D 39 42.64 71.37 -22.25 41.10 72.87 -23.33 41.87 72.12 -22.79 2 0 1000.00 -999 ? >THR.D 40 45.16 73.49 -24.17 46.23 71.99 -25.30 45.70 72.74 -24.73 2 0 1000.00 -999 ? >LEU~D 41 40.96 75.62 -25.74 39.97 74.38 -27.26 40.47 75.00 -26.50 3 0 1000.00 -999 ? >GLU~D 42 43.80 81.95 -24.67 45.46 81.86 -23.35 44.63 81.90 -24.01 2 0 1000.00 -999 ? >ALA~D 43 39.63 80.03 -22.97 38.35 79.86 -23.78 38.99 79.94 -23.37 2 0 1000.00 -999 ? >VAL~D 44 39.78 77.01 -20.63 38.05 75.95 -21.53 38.92 76.48 -21.08 3 0 1000.00 -999 ? >ARG~D 45 47.19 77.46 -21.11 47.37 77.80 -24.17 47.28 77.63 -22.64 2 0 1000.00 -999 ? >GLY.D 46 44.34 73.64 -17.81 43.63 73.65 -18.17 43.98 73.64 -17.99 1 0 1000.00 -999 ? >ARG.D 47 37.50 74.83 -17.21 35.53 77.13 -17.73 36.51 75.98 -17.47 2 0 1000.00 -999 ? >PRO^D 48 38.60 69.19 -15.35 39.83 69.53 -17.24 39.21 69.36 -16.30 3 0 1000.00 -999 ? >PHE^D 49 38.22 69.18 -23.27 36.64 69.90 -25.47 37.43 69.54 -24.37 3 0 1000.00 -999 ? >ALA^D 50 35.92 65.36 -22.13 34.68 65.11 -21.22 35.30 65.23 -21.67 2 0 1000.00 -999 ? >ASP^D 51 36.60 64.60 -26.34 36.41 64.89 -28.45 36.50 64.75 -27.39 2 0 1000.00 -999 ? >VAL^D 52 33.82 61.21 -27.59 31.66 60.71 -27.76 32.74 60.96 -27.67 3 0 1000.00 -999 ? >LEU^D 53 37.58 58.61 -28.92 39.17 60.07 -28.96 38.37 59.34 -28.94 3 0 1000.00 -999 ? >SER^D 54 35.52 55.56 -31.25 33.98 55.80 -33.01 34.75 55.68 -32.13 2 0 1000.00 -999 ? >LEU.D 55 37.88 52.88 -28.62 36.88 52.27 -26.79 37.38 52.58 -27.70 3 0 1000.00 -999 ? >SER.D 56 38.27 48.93 -30.55 38.07 47.07 -32.10 38.17 48.00 -31.33 2 0 1000.00 -999 ? >ASP.D 57 40.18 45.99 -27.29 38.75 44.41 -27.00 39.47 45.20 -27.15 2 0 1000.00 -999 ? >GLY.D 58 39.93 43.83 -31.56 39.22 44.26 -31.49 39.58 44.04 -31.53 1 0 1000.00 -999 ? >PRO.D 59 39.01 40.51 -34.29 38.03 42.38 -33.55 38.52 41.45 -33.92 3 0 1000.00 -999 ? >PRO.D 60 33.01 42.02 -34.26 34.58 41.35 -32.77 33.79 41.69 -33.51 3 0 1000.00 -999 ? >GLY.D 61 35.32 37.54 -31.93 35.67 38.14 -31.66 35.49 37.84 -31.79 1 0 1000.00 -999 ? >ALA.D 62 38.39 38.43 -29.77 39.50 37.48 -30.33 38.95 37.96 -30.05 2 0 1000.00 -999 ? >GLY.D 63 39.60 41.54 -27.92 39.89 40.77 -27.68 39.74 41.15 -27.80 1 0 1000.00 -999 ? >SER.D 64 43.04 41.99 -26.43 44.00 43.91 -27.52 43.52 42.95 -26.97 2 0 1000.00 -999 ? >GLY.D 65 41.88 44.70 -24.04 42.26 44.86 -24.69 42.07 44.78 -24.36 1 0 1000.00 -999 ? >VAL.D 66 44.11 47.38 -25.68 46.32 47.19 -26.09 45.21 47.29 -25.88 3 0 1000.00 -999 ? >PRO.D 67 41.94 50.83 -24.28 42.39 49.91 -26.31 42.16 50.37 -25.29 3 0 1000.00 -999 ? >TYR^D 68 44.10 49.50 -30.96 45.99 47.50 -30.46 45.05 48.50 -30.71 3 0 1000.00 -999 ? >PHE^D 69 41.87 55.82 -29.23 41.36 55.38 -26.53 41.61 55.60 -27.88 3 0 1000.00 -999 ? >TYR^D 70 41.61 56.07 -37.55 42.56 56.29 -40.14 42.08 56.18 -38.85 3 0 1000.00 -999 ? >LEU^D 71 43.64 60.32 -33.23 42.87 59.65 -31.36 43.26 59.99 -32.30 3 0 1000.00 -999 ? >SER.D 72 43.47 63.38 -36.34 42.71 65.25 -37.65 43.09 64.32 -37.00 2 0 1000.00 -999 ? >PRO.D 73 47.37 65.53 -36.75 45.43 65.70 -35.54 46.40 65.62 -36.15 3 0 1000.00 -999 ? >LEU.D 74 41.77 68.48 -37.28 42.10 69.50 -39.24 41.93 68.99 -38.26 3 0 1000.00 -999 ? >GLN~D 75 39.90 64.75 -33.56 39.90 62.68 -33.21 39.90 63.71 -33.39 2 0 1000.00 -999 ? >LEU~D 76 39.15 69.33 -29.13 38.20 71.30 -29.49 38.68 70.32 -29.31 3 0 1000.00 -999 ? >SER~D 77 41.67 65.82 -27.72 39.82 64.55 -26.88 40.75 65.18 -27.30 2 0 1000.00 -999 ? >VAL~D 78 44.80 65.36 -29.81 45.21 64.27 -31.65 45.00 64.81 -30.73 3 0 1000.00 -999 ? >SER~D 79 45.93 68.94 -29.41 43.87 70.25 -29.21 44.90 69.60 -29.31 2 0 1000.00 -999 ? >ASN~D 80 44.32 67.97 -24.87 42.77 69.42 -25.00 43.54 68.70 -24.94 2 0 1000.00 -999 ? >LEU~D 81 47.03 63.79 -26.54 45.72 62.26 -25.87 46.37 63.03 -26.21 3 0 1000.00 -999 ? >GLN~D 82 49.81 65.94 -30.01 51.16 64.42 -30.79 50.49 65.18 -30.40 2 0 1000.00 -999 ? >GLU~D 83 50.22 71.22 -25.54 52.12 71.48 -26.55 51.17 71.35 -26.04 2 0 1000.00 -999 ? >ASN~D 84 49.52 66.89 -20.91 49.16 65.75 -19.12 49.34 66.32 -20.01 2 0 1000.00 -999 ? >PRO.D 85 52.07 62.33 -22.67 50.01 63.21 -22.87 51.04 62.77 -22.77 3 0 1000.00 -999 ? >TYR^D 86 48.06 60.77 -17.55 47.73 58.57 -15.88 47.89 59.67 -16.72 3 0 1000.00 -999 ? >ALA^D 87 44.34 60.59 -20.34 44.00 60.47 -21.80 44.17 60.53 -21.07 2 0 1000.00 -999 ? >THR^D 88 41.48 58.60 -18.79 41.08 58.57 -16.62 41.28 58.58 -17.70 2 0 1000.00 -999 ? >LEU^D 89 39.51 55.51 -21.74 38.54 54.71 -23.53 39.03 55.11 -22.64 3 0 1000.00 -999 ? >THR^D 90 35.53 55.70 -19.42 33.95 56.79 -18.31 34.74 56.25 -18.87 2 0 1000.00 -999 ? >MET?D 91 33.00 53.21 -20.83 35.94 51.18 -23.27 34.47 52.19 -22.05 2 0 1000.00 -999 ? >THR^D 92 29.61 52.08 -19.50 27.89 53.36 -19.25 28.75 52.72 -19.38 2 0 1000.00 -999 ? >LEU.D 93 27.01 48.01 -19.43 28.22 46.23 -19.68 27.61 47.12 -19.56 3 0 1000.00 -999 ? >ALA~D 94 24.62 51.98 -20.75 24.45 53.32 -19.94 24.53 52.65 -20.35 2 0 1000.00 -999 ? >GLN~D 95 28.25 53.53 -23.96 30.40 53.37 -24.16 29.32 53.45 -24.06 2 0 1000.00 -999 ? >THR~D 96 24.40 48.81 -24.79 25.70 47.40 -23.80 25.05 48.11 -24.30 2 0 1000.00 -999 ? >ASN~D 97 19.94 46.98 -25.02 18.07 47.93 -25.24 19.01 47.46 -25.13 2 0 1000.00 -999 ? >PHE~D 98 23.72 44.92 -19.14 24.09 43.53 -16.72 23.90 44.23 -17.93 3 0 1000.00 -999 ? >CSS~D 99 21.15 48.67 -18.27 23.73 49.51 -17.88 22.44 49.09 -18.07 2 0 1000.00 -999 ? >LYS~D 100 17.83 49.51 -19.96 19.32 53.44 -24.62 18.58 51.48 -22.29 2 0 1000.00 -999 ? >LYS~D 101 16.88 45.81 -20.02 15.10 40.47 -21.21 15.99 43.14 -20.62 2 0 1000.00 -999 ? >HIS~D 102 19.27 43.40 -16.08 19.64 41.36 -16.41 19.45 42.38 -16.24 3 0 1000.00 -999 ? >GLY~D 103 16.25 48.68 -15.22 17.02 48.40 -15.12 16.63 48.54 -15.17 1 0 1000.00 -999 ? >PHE.D 104 20.91 47.34 -13.67 20.97 44.66 -12.88 20.94 46.00 -13.27 3 0 1000.00 -999 ? >ASP.D 105 20.11 54.18 -12.33 20.14 56.26 -12.77 20.12 55.22 -12.55 2 0 1000.00 -999 ? >PRO.D 106 21.73 55.74 -16.94 22.59 54.43 -15.35 22.16 55.09 -16.15 3 0 1000.00 -999 ? >GLN.D 107 25.81 57.67 -10.76 25.18 59.56 -10.04 25.49 58.62 -10.40 2 0 1000.00 -999 ? >SER.D 108 24.23 52.45 -10.45 23.20 50.35 -10.01 23.72 51.40 -10.23 2 0 1000.00 -999 ? >PRO.D 109 27.30 50.68 -7.86 26.78 50.66 -10.06 27.04 50.67 -8.96 3 0 1000.00 -999 ? >LEU.D 110 23.66 46.97 -11.07 23.46 45.89 -9.07 23.56 46.43 -10.07 3 0 1000.00 -999 ? >CSS.D 111 25.18 49.36 -14.87 24.58 51.05 -16.92 24.88 50.21 -15.90 2 0 1000.00 -999 ? >VAL.D 112 28.84 48.49 -15.02 29.98 46.58 -14.94 29.41 47.54 -14.98 3 0 1000.00 -999 ? >HIS^D 113 30.75 53.41 -14.63 30.80 54.38 -12.76 30.77 53.90 -13.70 3 0 1000.00 -999 ? >ILE^D 114 35.69 49.96 -16.49 35.85 48.77 -17.39 35.77 49.37 -16.94 3 0 1000.00 -999 ? >MET?D 115 37.86 53.80 -16.14 35.35 54.71 -13.70 36.60 54.26 -14.92 2 0 1000.00 -999 ? >LEU^D 116 41.22 52.24 -19.04 40.45 50.25 -19.33 40.83 51.25 -19.19 3 0 1000.00 -999 ? >SER^D 117 43.96 55.63 -17.26 44.33 57.68 -16.01 44.14 56.65 -16.64 2 0 1000.00 -999 ? >GLY^D 118 47.44 55.94 -18.80 46.96 56.62 -19.03 47.20 56.28 -18.91 1 0 1000.00 -999 ? >THR^D 119 48.94 57.69 -21.78 51.08 57.57 -21.22 50.01 57.63 -21.50 2 0 1000.00 -999 ? >VAL^D 120 47.80 57.91 -25.33 45.85 58.43 -26.08 46.83 58.17 -25.70 3 0 1000.00 -999 ? >THR^D 121 50.56 57.46 -27.96 51.91 56.34 -26.59 51.23 56.90 -27.28 2 0 1000.00 -999 ? >LYS^D 122 50.67 56.87 -31.76 52.51 58.54 -37.60 51.59 57.70 -34.68 2 0 1000.00 -999 ? >VAL.D 123 51.12 53.13 -32.39 49.16 52.14 -32.68 50.14 52.64 -32.54 3 0 1000.00 -999 ? >ASN~D 124 55.45 51.14 -32.92 54.86 49.44 -31.74 55.16 50.29 -32.33 2 0 1000.00 -999 ? >GLU~D 125 56.73 48.99 -35.53 58.78 48.51 -35.28 57.76 48.75 -35.41 2 0 1000.00 -999 ? >THR~D 126 54.15 46.42 -35.94 55.91 45.83 -34.72 55.03 46.12 -35.33 2 0 1000.00 -999 ? >GLU~D 127 49.91 47.14 -31.71 50.37 47.82 -29.76 50.14 47.48 -30.73 2 0 1000.00 -999 ? >MET?D 128 49.44 49.55 -36.79 48.63 50.88 -40.08 49.03 50.21 -38.44 2 0 1000.00 -999 ? >ASP~D 129 48.57 45.91 -39.99 49.15 46.97 -41.87 48.86 46.44 -40.93 2 0 1000.00 -999 ? >ILE~D 130 47.13 44.59 -34.65 47.73 43.66 -33.80 47.43 44.12 -34.22 3 0 1000.00 -999 ? >ALA~D 131 44.88 48.45 -34.69 45.67 49.71 -34.40 45.28 49.08 -34.55 2 0 1000.00 -999 ? >LYS~D 132 43.67 49.15 -38.17 45.65 50.20 -44.00 44.66 49.67 -41.09 2 0 1000.00 -999 ? >HIS~D 133 41.35 43.36 -39.13 39.77 42.10 -39.72 40.56 42.73 -39.43 3 0 1000.00 -999 ? >SER~D 134 40.53 45.99 -35.02 42.21 45.15 -33.53 41.37 45.57 -34.27 2 0 1000.00 -999 ? >LEU~D 135 39.86 50.80 -35.67 40.57 51.97 -33.91 40.22 51.39 -34.79 3 0 1000.00 -999 ? >PHE~D 136 39.82 50.45 -40.89 41.33 52.77 -41.42 40.58 51.61 -41.15 3 0 1000.00 -999 ? >ILE~D 137 36.84 44.58 -38.74 36.37 43.93 -39.06 36.60 44.25 -38.90 3 0 1000.00 -999 ? >ARG.D 138 35.06 45.59 -33.29 34.53 46.01 -30.28 34.79 45.80 -31.78 2 0 1000.00 -999 ? >HIS~D 139 34.54 51.96 -35.47 33.99 52.03 -33.43 34.27 51.99 -34.45 3 0 1000.00 -999 ? >PRO~D 140 31.44 49.88 -40.94 33.54 50.61 -40.88 32.49 50.24 -40.91 3 0 1000.00 -999 ? >GLU~D 141 31.79 56.63 -41.82 31.05 58.08 -40.41 31.42 57.36 -41.12 2 0 1000.00 -999 ? >MET?D 142 36.74 55.11 -41.12 38.09 53.81 -37.32 37.42 54.46 -39.22 2 0 1000.00 -999 ? >LYS~D 143 37.85 53.83 -44.55 36.86 47.58 -44.95 37.36 50.71 -44.75 2 0 1000.00 -999 ? >THR~D 144 36.14 56.89 -46.10 34.00 56.36 -46.07 35.07 56.62 -46.08 2 0 1000.00 -999 ? >TRP~D 145 35.49 58.75 -41.57 36.65 58.27 -37.83 36.07 58.51 -39.70 3 0 1000.00 -999 ? >PRO~D 146 38.00 63.81 -44.05 38.85 62.00 -45.05 38.43 62.91 -44.55 3 0 1000.00 -999 ? >SER~D 147 43.03 61.83 -46.03 43.43 60.04 -47.59 43.23 60.93 -46.81 2 0 1000.00 -999 ? >SER~D 148 43.63 65.57 -45.47 41.39 66.45 -45.36 42.51 66.01 -45.42 2 0 1000.00 -999 ? >HIS~D 149 40.65 65.53 -41.68 38.99 66.69 -42.25 39.82 66.11 -41.97 3 0 1000.00 -999 ? >ASN~D 150 47.36 64.19 -40.94 47.95 65.55 -42.49 47.66 64.87 -41.72 2 0 1000.00 -999 ? >TRP.D 151 42.01 60.52 -41.65 39.85 61.43 -38.48 40.93 60.97 -40.06 3 0 1000.00 -999 ? >PHE^D 152 47.91 59.56 -35.49 47.36 61.20 -33.24 47.63 60.38 -34.37 3 0 1000.00 -999 ? >PHE^D 153 45.80 53.26 -36.82 44.18 52.87 -39.08 44.99 53.07 -37.95 3 0 1000.00 -999 ? >ALA^D 154 46.84 55.42 -31.39 46.45 56.83 -30.89 46.65 56.13 -31.14 2 0 1000.00 -999 ? >LYS^D 155 46.49 53.35 -28.23 51.21 49.30 -27.26 48.85 51.33 -27.75 2 0 1000.00 -999 ? >LEU^D 156 44.52 53.85 -23.82 44.09 54.75 -21.90 44.31 54.30 -22.86 3 0 1000.00 -999 ? >ASN^D 157 50.34 53.02 -22.60 51.07 53.35 -24.56 50.70 53.18 -23.58 2 0 1000.00 -999 ? >ILE^D 158 45.94 50.45 -19.32 44.70 49.93 -19.41 45.32 50.19 -19.36 3 0 1000.00 -999 ? >THR^D 159 48.66 52.07 -15.90 49.90 53.88 -16.19 49.28 52.98 -16.05 2 0 1000.00 -999 ? >ASN^D 160 45.47 53.67 -13.05 47.29 54.15 -12.02 46.38 53.91 -12.53 2 0 1000.00 -999 ? >ILE^D 161 42.10 49.15 -14.34 42.11 48.21 -15.33 42.10 48.68 -14.83 3 0 1000.00 -999 ? >TRP^D 162 39.91 53.39 -9.25 42.33 55.30 -11.73 41.12 54.34 -10.49 3 0 1000.00 -999 ? >VAL^D 163 35.80 48.90 -12.11 35.83 46.86 -12.91 35.81 47.88 -12.51 3 0 1000.00 -999 ? >LEU^D 164 31.80 51.32 -10.95 32.83 52.29 -9.30 32.31 51.80 -10.13 3 0 1000.00 -999 ? >ASP.D 165 31.08 45.70 -11.68 32.20 44.26 -10.54 31.64 44.98 -11.11 2 0 1000.00 -999 ? >TYR.D 166 28.37 43.94 -6.16 26.49 42.19 -4.96 27.43 43.06 -5.56 3 0 1000.00 -999 ? >PHE.D 167 26.09 47.06 -2.96 24.28 44.99 -2.52 25.19 46.02 -2.74 3 0 1000.00 -999 ? >GLY.D 168 31.18 48.59 -1.85 31.12 49.11 -2.49 31.15 48.85 -2.17 1 0 1000.00 -999 ? >GLY.D 169 33.04 51.08 -4.07 32.92 50.37 -4.38 32.98 50.73 -4.22 1 0 1000.00 -999 ? >PRO.D 170 35.54 53.36 -6.68 35.10 51.18 -6.39 35.32 52.27 -6.53 3 0 1000.00 -999 ? >LYS^D 171 37.43 47.85 -7.54 33.31 43.45 -7.48 35.37 45.65 -7.51 2 0 1000.00 -999 ? >ILE^D 172 42.10 49.06 -7.53 42.39 49.97 -7.04 42.24 49.52 -7.29 3 0 1000.00 -999 ? >VAL^D 173 42.57 46.11 -11.12 41.26 44.99 -12.55 41.92 45.55 -11.83 3 0 1000.00 -999 ? >THR~D 174 46.27 46.05 -12.08 47.35 44.66 -10.78 46.81 45.36 -11.43 2 0 1000.00 -999 ? >PRO~D 175 48.17 48.33 -15.21 47.23 46.35 -15.03 47.70 47.34 -15.12 3 0 1000.00 -999 ? >GLU~D 176 50.55 43.22 -13.44 51.27 45.11 -14.12 50.91 44.17 -13.78 2 0 1000.00 -999 ? >GLU~D 177 45.45 41.24 -11.45 44.86 42.35 -9.70 45.16 41.79 -10.57 2 0 1000.00 -999 ? >TYR~D 178 42.91 45.01 -18.19 41.52 46.12 -20.35 42.22 45.57 -19.27 3 0 1000.00 -999 ? >TYR~D 179 47.02 43.66 -20.59 46.39 46.08 -21.80 46.71 44.87 -21.19 3 0 1000.00 -999 ? >ASN~D 180 47.37 37.82 -17.02 49.47 37.94 -17.49 48.42 37.88 -17.25 2 0 1000.00 -999 ? >VAL.D 181 42.70 37.34 -18.18 40.75 38.43 -17.95 41.73 37.88 -18.07 3 0 1000.00 -999 ? >THR.D 182 41.81 33.79 -19.32 42.37 32.03 -18.14 42.09 32.91 -18.73 2 0 1000.00 -999 ?