REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-JAN-07 2OGK COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 2234; SOURCE 4 GENE: AF_2318; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR K.N.RAO,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) >GLY.A 4 1.41 117.07 1.35 1.19 116.29 1.52 1.30 116.68 1.43 1 0 1000.00 -999 ? >LYS^A 5 2.78 116.44 4.84 8.61 118.45 6.14 5.69 117.44 5.49 2 0 1000.00 -999 ? >ILE^A 6 1.80 116.60 9.62 0.50 117.21 10.07 1.15 116.90 9.85 3 0 1000.00 -999 ? >GLU^A 7 6.31 121.64 7.79 8.31 121.88 8.37 7.31 121.76 8.08 2 0 1000.00 -999 ? >TRP^A 8 6.24 122.92 12.77 2.68 124.16 13.93 4.46 123.54 13.35 3 0 1000.00 -999 ? >VAL^A 9 2.37 118.98 15.78 1.16 117.14 15.98 1.77 118.06 15.88 3 0 1000.00 -999 ? >ARG^A 10 3.85 124.48 17.57 5.82 126.57 16.48 4.84 125.52 17.02 2 0 1000.00 -999 ? >VAL^A 11 0.03 120.51 21.85 -0.83 118.53 22.20 -0.40 119.52 22.03 3 0 1000.00 -999 ? >SER^A 12 -0.39 123.05 24.65 -0.69 124.89 23.15 -0.54 123.97 23.90 2 0 1000.00 -999 ? >ALA^A 13 -2.50 124.04 27.66 -2.91 122.78 28.43 -2.71 123.41 28.04 2 0 1000.00 -999 ? >VAL^A 14 -2.68 126.77 30.30 -3.33 128.82 29.98 -3.01 127.79 30.14 3 0 1000.00 -999 ? >VAL^A 15 -2.40 126.45 34.09 -1.14 124.99 35.01 -1.77 125.72 34.55 3 0 1000.00 -999 ? >HIS.A 16 -6.28 129.25 34.81 -6.80 129.43 32.78 -6.54 129.34 33.80 3 0 1000.00 -999 ? >SER.A 17 -3.42 129.88 39.86 -2.94 132.23 39.59 -3.18 131.06 39.73 2 0 1000.00 -999 ? >THR.A 18 -6.16 127.68 41.31 -7.97 128.89 41.25 -7.06 128.28 41.28 2 0 1000.00 -999 ? >GLU.A 19 -6.12 124.41 36.70 -6.38 125.08 34.70 -6.25 124.74 35.70 2 0 1000.00 -999 ? >ASP~A 20 -2.99 120.86 40.46 -1.42 119.42 40.66 -2.21 120.14 40.56 2 0 1000.00 -999 ? >ARG~A 21 3.65 122.99 36.15 5.28 124.39 38.33 4.46 123.69 37.24 2 0 1000.00 -999 ? >GLU~A 22 2.11 117.88 39.52 3.76 118.38 38.26 2.93 118.13 38.89 2 0 1000.00 -999 ? >LYS~A 23 -3.09 117.80 36.78 -6.37 118.01 42.07 -4.73 117.91 39.43 2 0 1000.00 -999 ? >VAL~A 24 -3.05 119.94 33.68 -3.29 122.06 33.36 -3.17 121.00 33.52 3 0 1000.00 -999 ? >GLY~A 25 -0.18 117.79 32.39 -0.89 117.49 32.72 -0.54 117.64 32.55 1 0 1000.00 -999 ? >ALA~A 27 -4.87 115.92 30.98 -5.52 117.27 31.20 -5.19 116.60 31.09 2 0 1000.00 -999 ? >ILE~A 28 -1.11 117.41 28.27 -0.49 118.62 27.54 -0.80 118.01 27.90 3 0 1000.00 -999 ? >SER~A 29 -0.64 112.95 28.42 -0.83 112.68 30.81 -0.74 112.82 29.62 2 0 1000.00 -999 ? >THR~A 30 -4.07 111.66 27.40 -6.08 111.78 28.20 -5.07 111.72 27.80 2 0 1000.00 -999 ? >LEU~A 31 -3.32 114.03 23.31 -5.10 115.22 23.45 -4.21 114.63 23.38 3 0 1000.00 -999 ? >PHE~A 32 1.31 112.70 23.87 1.53 115.32 22.99 1.42 114.01 23.43 3 0 1000.00 -999 ? >PRO.A 33 -0.39 107.83 20.66 0.36 107.60 22.78 -0.01 107.72 21.72 3 0 1000.00 -999 ? >PHE.A 34 4.41 108.42 21.07 3.72 110.60 19.42 4.06 109.51 20.25 3 0 1000.00 -999 ? >GLU.A 35 7.96 108.22 27.23 9.85 108.23 28.16 8.91 108.22 27.69 2 0 1000.00 -999 ? >PHE.A 36 4.53 113.81 25.50 2.84 114.23 27.70 3.69 114.02 26.60 3 0 1000.00 -999 ? >GLU.A 37 10.57 116.75 27.50 12.55 116.14 27.15 11.56 116.45 27.33 2 0 1000.00 -999 ? >ILE.A 38 5.31 118.78 29.47 3.92 118.65 29.94 4.62 118.72 29.71 3 0 1000.00 -999 ? >ALA^A 39 7.92 122.44 28.57 8.45 123.16 27.35 8.18 122.80 27.96 2 0 1000.00 -999 ? >VAL^A 40 6.77 124.56 31.56 6.24 123.81 33.53 6.50 124.19 32.54 3 0 1000.00 -999 ? >SER^A 41 6.97 128.36 31.13 5.79 129.10 29.10 6.38 128.73 30.12 2 0 1000.00 -999 ? >LYS.A 42 5.46 131.44 32.85 7.93 127.80 35.94 6.70 129.62 34.39 2 0 1000.00 -999 ? >MET.A 51 -0.41 131.67 34.76 -2.78 132.01 32.31 -1.60 131.84 33.53 2 0 1000.00 -999 ? >GLU^A 52 2.20 127.29 34.76 3.34 126.61 36.43 2.77 126.95 35.60 2 0 1000.00 -999 ? >TYR^A 53 1.83 129.29 28.43 0.62 131.79 28.04 1.22 130.54 28.23 3 0 1000.00 -999 ? >LEU^A 54 1.70 122.54 29.87 1.99 122.22 31.98 1.85 122.38 30.93 3 0 1000.00 -999 ? >GLU^A 55 4.11 125.50 25.57 5.26 127.10 24.86 4.68 126.30 25.22 2 0 1000.00 -999 ? >VAL^A 56 4.56 119.86 23.67 3.92 117.91 24.36 4.24 118.88 24.01 3 0 1000.00 -999 ? >GLU^A 57 7.22 120.79 18.26 8.67 122.27 17.74 7.95 121.53 18.00 2 0 1000.00 -999 ? >LEU^A 58 5.01 116.03 17.32 4.14 114.74 18.81 4.57 115.39 18.06 3 0 1000.00 -999 ? >THR.A 59 8.82 116.85 14.70 10.15 118.32 15.54 9.49 117.58 15.12 2 0 1000.00 -999 ? >LYS~A 60 9.73 113.17 14.11 13.34 110.18 15.76 11.53 111.68 14.94 2 0 1000.00 -999 ? >SER~A 61 7.36 112.20 11.28 8.90 111.05 9.83 8.13 111.63 10.55 2 0 1000.00 -999 ? >SER~A 62 6.96 108.78 12.90 9.27 108.73 13.60 8.11 108.75 13.25 2 0 1000.00 -999 ? >GLU~A 63 7.56 110.43 17.56 8.65 111.54 18.97 8.11 110.98 18.26 2 0 1000.00 -999 ? >ILE~A 64 4.06 113.85 13.02 4.32 115.24 12.59 4.19 114.55 12.80 3 0 1000.00 -999 ? >LYS~A 65 2.02 110.18 11.90 0.42 111.54 9.44 1.22 110.86 10.67 2 0 1000.00 -999 ? >LYS~A 66 1.42 107.96 14.95 2.44 104.64 19.54 1.93 106.30 17.25 2 0 1000.00 -999 ? >PHE~A 67 -0.13 113.12 18.07 -1.74 115.07 19.32 -0.94 114.09 18.69 3 0 1000.00 -999 ? >TRP~A 68 -3.57 111.82 11.22 -5.81 114.86 12.29 -4.69 113.34 11.75 3 0 1000.00 -999 ? >ASN~A 70 -3.13 107.83 18.36 -3.73 107.22 20.31 -3.43 107.53 19.34 2 0 1000.00 -999 ? >LEU~A 71 -5.51 112.53 17.49 -6.11 114.53 18.11 -5.81 113.53 17.80 3 0 1000.00 -999 ? >LEU~A 72 -8.30 110.13 13.61 -8.32 111.68 12.09 -8.31 110.91 12.85 3 0 1000.00 -999 ? >GLU~A 73 -7.43 105.43 15.64 -5.82 104.18 16.04 -6.63 104.80 15.84 2 0 1000.00 -999 ? >LEU~A 74 -8.72 109.07 20.98 -7.39 107.87 22.18 -8.06 108.47 21.58 3 0 1000.00 -999 ? >LEU~A 75 -11.62 112.21 17.55 -11.11 114.29 17.81 -11.36 113.25 17.68 3 0 1000.00 -999 ? >GLY~A 76 -14.26 108.70 16.80 -14.16 109.49 16.61 -14.21 109.09 16.70 1 0 1000.00 -999 ? >GLU.A 77 -19.91 110.02 15.13 -19.51 108.48 13.72 -19.71 109.25 14.42 2 0 1000.00 -999 ? >GLN~A 78 -16.21 113.64 18.92 -15.34 114.29 20.74 -15.78 113.97 19.83 2 0 1000.00 -999 ? >ALA~A 79 -13.47 113.21 13.64 -12.81 111.86 13.33 -13.14 112.53 13.48 2 0 1000.00 -999 ? >GLU~A 81 -18.07 118.87 14.51 -18.39 119.27 16.55 -18.23 119.07 15.53 2 0 1000.00 -999 ? >ILE~A 82 -12.30 117.64 12.34 -11.65 118.36 13.46 -11.98 118.00 12.90 3 0 1000.00 -999 ? >LEU~A 83 -14.62 116.39 7.89 -13.60 114.90 6.72 -14.11 115.65 7.30 3 0 1000.00 -999 ? >SER~A 84 -17.26 119.79 8.32 -18.61 118.22 9.56 -17.93 119.01 8.94 2 0 1000.00 -999 ? >THR~A 85 -15.16 122.67 9.68 -15.85 123.19 11.67 -15.50 122.93 10.68 2 0 1000.00 -999 ? >LEU~A 86 -11.44 121.20 6.91 -10.88 119.17 7.36 -11.16 120.18 7.13 3 0 1000.00 -999 ? >GLU~A 87 -13.29 127.26 4.73 -14.52 128.71 5.70 -13.91 127.98 5.22 2 0 1000.00 -999 ? >ASP~A 88 -13.95 127.66 10.23 -15.46 128.41 8.96 -14.70 128.04 9.59 2 0 1000.00 -999 ? >ARG~A 89 -11.63 121.97 12.28 -13.16 122.04 14.91 -12.39 122.00 13.60 2 0 1000.00 -999 ? >ILE~A 90 -6.97 125.22 7.74 -6.50 124.21 6.91 -6.74 124.72 7.32 3 0 1000.00 -999 ? >ASP.A 91 -5.06 130.04 10.43 -3.25 129.15 11.03 -4.15 129.59 10.73 2 0 1000.00 -999 ? >GLU.A 92 -3.50 133.77 7.78 -3.28 135.86 7.49 -3.39 134.82 7.64 2 0 1000.00 -999 ? >GLN.A 93 0.67 131.60 9.07 -0.78 133.09 8.62 -0.06 132.35 8.84 2 0 1000.00 -999 ? >ASN.A 94 -1.15 125.86 5.87 -1.29 127.02 4.09 -1.22 126.44 4.98 2 0 1000.00 -999 ? >VAL^A 95 -2.18 125.40 10.62 -0.88 125.98 12.25 -1.53 125.69 11.43 3 0 1000.00 -999 ? >LEU^A 96 -5.33 121.86 10.80 -6.75 120.32 11.25 -6.04 121.09 11.02 3 0 1000.00 -999 ? >HIS^A 97 -5.79 126.33 14.82 -4.25 127.68 14.40 -5.02 127.01 14.61 3 0 1000.00 -999 ? >ILE^A 98 -7.80 119.90 16.81 -7.91 118.66 16.22 -7.86 119.28 16.52 3 0 1000.00 -999 ? >ARG^A 99 -10.70 125.91 21.02 -12.39 126.17 18.49 -11.55 126.04 19.75 2 0 1000.00 -999 ? >ILE^A 100 -8.56 118.48 23.32 -9.18 117.25 22.95 -8.87 117.86 23.14 3 0 1000.00 -999 ? >ASP~A 101 -12.95 118.68 26.75 -13.91 119.15 28.59 -13.43 118.91 27.67 2 0 1000.00 -999 ? >LYS~A 102 -9.09 119.87 29.29 -6.38 124.69 31.36 -7.73 122.28 30.33 2 0 1000.00 -999 ? >GLN~A 103 -12.36 120.58 32.99 -10.63 121.00 34.14 -11.50 120.79 33.57 2 0 1000.00 -999 ? >LYS~A 104 -12.47 115.40 30.16 -17.42 117.32 28.37 -14.94 116.36 29.27 2 0 1000.00 -999 ? >ALA~A 105 -8.95 114.63 28.90 -8.03 115.60 28.14 -8.49 115.11 28.52 2 0 1000.00 -999 ? >TYR~A 106 -7.70 115.51 34.92 -6.91 114.91 37.54 -7.31 115.21 36.23 3 0 1000.00 -999 ? >LEU~A 107 -11.83 112.36 33.26 -12.79 113.09 35.05 -12.31 112.72 34.15 3 0 1000.00 -999 ? >GLY.A 108 -8.87 110.08 30.19 -9.42 110.59 30.07 -9.15 110.34 30.13 1 0 1000.00 -999 ? >GLU.A 109 -13.84 111.64 26.75 -15.85 112.09 27.22 -14.85 111.86 26.99 2 0 1000.00 -999 ? >VAL.A 110 -10.69 112.76 24.26 -8.99 112.34 22.97 -9.84 112.55 23.62 3 0 1000.00 -999 ? >SER.A 111 -13.43 115.20 23.19 -15.55 116.11 24.06 -14.49 115.65 23.62 2 0 1000.00 -999 ? >LEU.A 112 -14.31 118.58 19.81 -13.38 117.90 17.97 -13.84 118.24 18.89 3 0 1000.00 -999 ? >THR.A 113 -14.68 121.76 22.85 -13.67 122.56 24.64 -14.18 122.16 23.75 2 0 1000.00 -999 ? >SER.A 114 -15.65 125.31 21.87 -17.32 124.96 20.13 -16.49 125.14 21.00 2 0 1000.00 -999 ? >GLY.A 115 -14.56 126.50 25.29 -14.14 126.49 24.58 -14.35 126.50 24.94 1 0 1000.00 -999 ? >GLY.A 116 -11.88 129.13 25.68 -11.85 128.50 26.15 -11.86 128.81 25.92 1 0 1000.00 -999 ? >ASP.A 117 -9.74 127.30 29.39 -8.23 126.41 30.54 -8.99 126.86 29.97 2 0 1000.00 -999 ? >PRO.A 118 -8.89 125.22 24.00 -8.99 124.67 26.11 -8.94 124.94 25.06 3 0 1000.00 -999 ? >ILE^A 119 -5.74 120.36 25.61 -5.14 119.29 26.37 -5.44 119.83 25.99 3 0 1000.00 -999 ? >ALA^A 120 -4.88 123.28 21.89 -4.34 124.67 21.75 -4.61 123.97 21.82 2 0 1000.00 -999 ? >VAL^A 121 -3.74 120.85 19.20 -4.15 118.71 19.08 -3.95 119.78 19.14 3 0 1000.00 -999 ? >LYS^A 122 -2.13 122.46 16.18 -3.07 127.19 19.00 -2.60 124.83 17.59 2 0 1000.00 -999 ? >LEU^A 123 -1.72 119.66 12.43 -2.52 117.93 13.43 -2.12 118.80 12.93 3 0 1000.00 -999 ? >ARG^A 124 2.58 124.59 8.56 4.90 126.54 9.08 3.74 125.57 8.82 2 0 1000.00 -999 ? >LEU^A 125 -1.35 121.37 6.44 -2.78 120.36 7.67 -2.06 120.87 7.05 3 0 1000.00 -999 ? >VAL^A 126 2.39 121.52 3.77 4.49 121.91 4.08 3.44 121.72 3.92 3 0 1000.00 -999 ? >THR.A 127 1.22 120.95 0.22 -0.84 121.55 0.41 0.19 121.25 0.31 2 0 1000.00 -999 ? >TYR.A 128 4.75 119.88 -2.12 6.04 119.17 0.26 5.40 119.53 -0.93 3 0 1000.00 -999 ? >PRO.A 129 3.36 124.83 -5.52 2.35 123.66 -3.93 2.86 124.25 -4.73 3 0 1000.00 -999 ? >SER.A 130 0.60 125.57 -0.44 1.87 127.47 0.42 1.23 126.52 -0.01 2 0 1000.00 -999 ? >VAL~A 135 -4.41 122.20 1.96 -3.32 123.69 3.09 -3.87 122.95 2.52 3 0 1000.00 -999 ? >ILE~A 136 -9.30 122.69 1.78 -9.57 123.37 2.21 -9.43 123.03 1.99 3 0 1000.00 -999 ? >GLU~A 137 -8.91 117.82 -1.83 -8.43 117.52 -3.86 -8.67 117.67 -2.84 2 0 1000.00 -999 ? >PHE~A 138 -2.60 117.28 3.09 -0.69 116.00 4.71 -1.64 116.64 3.90 3 0 1000.00 -999 ? >ALA~A 139 -6.88 117.70 5.36 -7.26 119.07 5.91 -7.07 118.38 5.63 2 0 1000.00 -999 ? >ARG~A 140 -12.44 117.91 3.07 -13.59 120.04 1.20 -13.01 118.97 2.14 2 0 1000.00 -999 ? >GLU~A 141 -5.40 113.49 2.47 -3.82 113.25 1.00 -4.61 113.37 1.74 2 0 1000.00 -999 ? >LEU~A 142 -5.45 114.69 6.83 -3.35 114.85 7.20 -4.40 114.77 7.01 3 0 1000.00 -999 ? >CYH~A 143 -9.19 113.40 8.70 -9.19 116.10 9.38 -9.19 114.75 9.04 2 0 1000.00 -999 ? >THR.A 144 -10.09 110.07 7.14 -11.93 110.01 6.00 -11.01 110.04 6.57 2 0 1000.00 -999 ? >LYS.B 5 6.18 144.18 56.24 5.19 138.77 59.15 5.68 141.48 57.70 2 0 1000.00 -999 ? >ILE^B 6 9.89 141.76 54.35 10.15 141.26 53.79 10.02 141.51 54.07 3 0 1000.00 -999 ? >GLU^B 7 5.67 135.98 54.20 3.95 135.52 55.29 4.81 135.75 54.74 2 0 1000.00 -999 ? >TRP^B 8 7.28 133.90 52.65 9.33 133.91 49.30 8.31 133.91 50.97 3 0 1000.00 -999 ? >VAL^B 9 13.29 135.94 52.56 14.76 137.50 52.97 14.02 136.72 52.77 3 0 1000.00 -999 ? >ARG^B 10 11.82 130.54 50.82 8.86 129.87 50.60 10.34 130.21 50.71 2 0 1000.00 -999 ? >VAL^B 11 18.10 132.73 48.92 19.69 134.10 49.48 18.90 133.41 49.20 3 0 1000.00 -999 ? >SER^B 12 18.61 129.82 46.56 16.82 130.15 44.98 17.72 129.98 45.77 2 0 1000.00 -999 ? >ALA^B 13 21.11 128.63 43.97 22.47 128.97 44.51 21.79 128.80 44.24 2 0 1000.00 -999 ? >VAL^B 14 21.75 125.72 41.60 20.67 125.24 39.77 21.21 125.48 40.69 3 0 1000.00 -999 ? >VAL^B 15 24.67 123.24 41.34 25.80 122.83 43.20 25.23 123.04 42.27 3 0 1000.00 -999 ? >HIS.B 16 25.32 123.79 36.70 23.96 125.35 36.35 24.64 124.57 36.53 3 0 1000.00 -999 ? >SER.B 17 27.41 118.31 37.69 25.87 117.27 36.12 26.64 117.79 36.91 2 0 1000.00 -999 ? >THR.B 18 30.76 119.99 37.11 30.69 120.37 35.00 30.73 120.18 36.05 2 0 1000.00 -999 ? >GLU.B 19 29.19 124.63 39.28 27.57 125.91 39.75 28.38 125.27 39.51 2 0 1000.00 -999 ? >ASP~B 20 32.78 122.75 44.08 33.50 121.81 45.84 33.14 122.28 44.96 2 0 1000.00 -999 ? >ARG~B 21 27.25 120.12 48.77 24.70 118.52 49.31 25.97 119.32 49.04 2 0 1000.00 -999 ? >GLU~B 22 32.22 122.33 50.38 34.17 122.14 51.24 33.20 122.24 50.81 2 0 1000.00 -999 ? >LYS~B 23 32.01 126.61 46.39 36.88 126.36 42.42 34.45 126.49 44.41 2 0 1000.00 -999 ? >VAL~B 24 28.39 127.38 45.48 27.00 126.52 44.00 27.69 126.95 44.74 3 0 1000.00 -999 ? >GLY~B 25 27.51 127.46 49.16 28.15 127.87 48.79 27.83 127.67 48.97 1 0 1000.00 -999 ? >GLU~B 26 32.87 130.45 50.18 34.88 129.95 49.74 33.88 130.20 49.96 2 0 1000.00 -999 ? >ALA~B 27 29.15 132.20 47.29 28.94 131.82 45.84 29.04 132.01 46.56 2 0 1000.00 -999 ? >ILE~B 28 24.89 130.97 49.38 23.55 130.35 49.25 24.22 130.66 49.31 3 0 1000.00 -999 ? >SER~B 29 27.73 133.03 52.34 28.78 131.05 53.25 28.25 132.04 52.79 2 0 1000.00 -999 ? >THR~B 30 28.92 136.27 50.76 30.12 136.79 49.02 29.52 136.53 49.89 2 0 1000.00 -999 ? >LEU.B 31 24.20 136.79 50.29 23.86 137.41 48.25 24.03 137.10 49.27 3 0 1000.00 -999 ? >PHE.B 32 23.31 134.69 54.58 21.01 133.84 53.19 22.16 134.27 53.89 3 0 1000.00 -999 ? >PRO.B 33 24.25 139.82 57.71 25.87 138.37 57.27 25.06 139.10 57.49 3 0 1000.00 -999 ? >PHE.B 34 22.76 136.48 60.12 20.54 136.60 58.43 21.65 136.54 59.27 3 0 1000.00 -999 ? >GLU.B 35 26.76 131.59 62.36 28.32 131.19 60.98 27.54 131.39 61.67 2 0 1000.00 -999 ? >PHE.B 36 23.43 131.06 56.04 25.56 130.78 54.24 24.49 130.92 55.14 3 0 1000.00 -999 ? >GLU.B 37 20.54 126.17 59.43 22.18 125.02 60.09 21.36 125.59 59.76 2 0 1000.00 -999 ? >ILE.B 38 22.74 125.40 52.74 23.64 126.05 51.80 23.19 125.73 52.27 3 0 1000.00 -999 ? >ALA^B 39 18.70 123.02 52.56 17.25 123.38 52.79 17.97 123.20 52.67 2 0 1000.00 -999 ? >VAL^B 40 19.77 120.66 49.72 21.80 119.86 49.53 20.78 120.26 49.63 3 0 1000.00 -999 ? >SER^B 41 17.57 118.89 47.14 16.05 120.71 46.43 16.81 119.80 46.79 2 0 1000.00 -999 ? >ALA^B 43 16.09 119.49 40.34 16.16 120.96 40.72 16.13 120.23 40.53 2 0 1000.00 -999 ? >LYS^B 44 16.41 120.05 36.57 17.41 115.22 35.03 16.91 117.63 35.80 2 0 1000.00 -999 ? >GLY.B 45 18.32 122.80 34.80 17.74 122.40 34.38 18.03 122.60 34.59 1 0 1000.00 -999 ? >HIS.B 46 17.67 127.46 32.73 17.26 128.98 34.11 17.47 128.22 33.42 3 0 1000.00 -999 ? >TYR.B 47 20.65 123.89 28.84 21.24 126.54 28.07 20.94 125.21 28.45 3 0 1000.00 -999 ? >GLY.B 48 17.20 119.61 31.62 17.94 119.77 31.70 17.57 119.69 31.66 1 0 1000.00 -999 ? >ASN.B 49 21.69 118.86 33.09 22.43 118.16 31.20 22.06 118.51 32.14 2 0 1000.00 -999 ? >PRO^B 50 20.39 114.79 35.73 20.26 116.94 36.20 20.33 115.86 35.97 3 0 1000.00 -999 ? >MET^B 51 20.80 119.61 39.36 21.66 122.69 37.03 21.23 121.15 38.20 2 0 1000.00 -999 ? >GLU^B 52 22.72 118.63 44.43 24.62 118.53 45.32 23.67 118.58 44.88 2 0 1000.00 -999 ? >TYR^B 53 16.89 124.14 44.94 15.49 126.53 45.44 16.19 125.34 45.19 3 0 1000.00 -999 ? >LEU^B 54 21.81 125.38 47.61 23.38 123.89 47.55 22.60 124.63 47.58 3 0 1000.00 -999 ? >GLU^B 55 15.57 128.04 49.49 13.55 127.66 48.98 14.56 127.85 49.24 2 0 1000.00 -999 ? >VAL^B 56 18.16 129.34 52.67 20.10 130.09 53.31 19.13 129.72 52.99 3 0 1000.00 -999 ? >GLU^B 57 12.60 130.43 54.88 10.93 129.55 54.00 11.76 129.99 54.44 2 0 1000.00 -999 ? >LEU^B 58 15.42 134.88 56.53 17.54 135.35 56.49 16.48 135.12 56.51 3 0 1000.00 -999 ? >THR.B 59 11.52 134.06 58.95 11.08 131.96 59.33 11.30 133.01 59.14 2 0 1000.00 -999 ? >LYS~B 60 12.75 136.03 62.00 16.12 131.81 65.33 14.43 133.92 63.66 2 0 1000.00 -999 ? >SER~B 61 12.50 139.77 61.35 10.15 140.22 61.53 11.33 139.99 61.44 2 0 1000.00 -999 ? >SER~B 62 15.65 139.92 63.43 17.38 138.99 64.88 16.52 139.46 64.15 2 0 1000.00 -999 ? >GLU~B 63 18.25 135.88 61.94 18.50 133.79 61.68 18.38 134.83 61.81 2 0 1000.00 -999 ? >ILE~B 64 13.82 139.29 58.05 12.56 138.88 57.34 13.19 139.08 57.69 3 0 1000.00 -999 ? >LYS~B 65 15.78 143.02 58.61 11.37 145.59 57.13 13.58 144.30 57.87 2 0 1000.00 -999 ? >LYS~B 66 19.49 142.65 59.33 24.33 140.19 62.65 21.91 141.42 60.99 2 0 1000.00 -999 ? >PHE~B 67 19.17 139.09 54.21 19.47 138.39 51.51 19.32 138.74 52.86 3 0 1000.00 -999 ? >TRP~B 68 15.67 145.95 53.28 15.95 144.90 49.50 15.81 145.42 51.39 3 0 1000.00 -999 ? >ASN~B 70 23.67 143.24 55.27 25.66 142.83 54.72 24.66 143.03 55.00 2 0 1000.00 -999 ? >LEU~B 71 20.95 142.51 50.96 20.59 141.30 49.21 20.77 141.90 50.09 3 0 1000.00 -999 ? >LEU~B 72 20.10 147.62 50.99 18.43 148.45 49.95 19.27 148.04 50.47 3 0 1000.00 -999 ? >GLU~B 73 26.20 148.18 53.42 26.57 147.73 55.47 26.39 147.96 54.45 2 0 1000.00 -999 ? >LEU~B 74 26.59 144.21 49.92 27.67 143.21 51.51 27.13 143.71 50.72 3 0 1000.00 -999 ? >LEU~B 75 23.17 146.27 46.38 22.05 144.63 45.52 22.61 145.45 45.95 3 0 1000.00 -999 ? >GLY~B 76 25.23 150.16 46.78 24.65 149.79 46.36 24.94 149.97 46.57 1 0 1000.00 -999 ? >GLU.B 77 26.86 152.56 42.96 27.19 151.32 41.26 27.03 151.94 42.11 2 0 1000.00 -999 ? >GLN~B 78 25.07 147.51 41.51 25.67 145.48 41.69 25.37 146.49 41.60 2 0 1000.00 -999 ? >ALA~B 79 19.89 149.54 43.87 19.72 149.92 45.33 19.80 149.73 44.60 2 0 1000.00 -999 ? >ILE~B 82 16.58 147.15 42.36 16.85 146.11 43.36 16.71 146.63 42.86 3 0 1000.00 -999 ? >LEU~B 83 14.37 151.85 42.10 14.19 152.20 44.23 14.28 152.02 43.17 3 0 1000.00 -999 ? >SER~B 84 13.86 151.39 37.65 16.18 151.04 36.94 15.02 151.22 37.29 2 0 1000.00 -999 ? >THR.B 85 12.57 147.85 37.01 14.52 146.98 36.69 13.54 147.41 36.85 2 0 1000.00 -999 ? >LEU.B 86 10.24 148.45 41.10 10.41 148.67 43.24 10.33 148.56 42.17 3 0 1000.00 -999 ? >ASP.B 88 10.31 143.37 35.63 9.78 145.06 34.47 10.05 144.22 35.05 2 0 1000.00 -999 ? >ARG.B 89 14.05 144.29 40.47 16.72 143.54 39.15 15.38 143.92 39.81 2 0 1000.00 -999 ? >ILE.B 90 6.91 142.80 41.79 6.46 143.67 42.86 6.68 143.24 42.33 3 0 1000.00 -999 ? >ASP.B 91 5.92 137.07 40.72 6.50 136.70 42.70 6.21 136.89 41.71 2 0 1000.00 -999 ? >GLU.B 92 0.87 135.75 40.10 2.81 135.02 39.76 1.84 135.39 39.93 2 0 1000.00 -999 ? >GLN.B 93 2.49 133.60 43.90 1.18 132.86 45.40 1.84 133.23 44.65 2 0 1000.00 -999 ? >ASN.B 94 3.18 139.94 46.66 1.34 140.81 46.09 2.26 140.38 46.37 2 0 1000.00 -999 ? >VAL^B 95 7.66 138.33 45.57 8.20 136.24 45.82 7.93 137.29 45.69 3 0 1000.00 -999 ? >LEU^B 96 10.96 141.74 46.17 12.00 143.59 45.83 11.48 142.66 46.00 3 0 1000.00 -999 ? >HIS^B 97 11.83 137.43 41.88 10.24 136.13 42.27 11.03 136.78 42.08 3 0 1000.00 -999 ? >ILE^B 98 17.40 140.96 44.46 17.43 142.47 44.33 17.41 141.72 44.39 3 0 1000.00 -999 ? >ARG^B 99 17.07 136.52 38.32 15.05 134.99 36.61 16.06 135.75 37.46 2 0 1000.00 -999 ? >ILE^B 100 23.04 137.80 43.73 23.45 139.11 44.03 23.24 138.46 43.88 3 0 1000.00 -999 ? >ASP~B 101 26.81 138.26 39.69 28.17 137.60 38.26 27.49 137.93 38.97 2 0 1000.00 -999 ? >LYS~B 102 27.02 133.73 41.46 25.52 127.81 39.87 26.27 130.77 40.67 2 0 1000.00 -999 ? >GLN~B 103 30.55 133.01 38.01 30.89 131.05 38.78 30.72 132.03 38.39 2 0 1000.00 -999 ? >LYS~B 104 31.31 137.43 41.82 30.29 141.91 37.55 30.80 139.67 39.68 2 0 1000.00 -999 ? >ALA~B 105 29.45 136.29 44.91 28.09 135.58 44.95 28.77 135.93 44.93 2 0 1000.00 -999 ? >TYR~B 106 33.41 131.51 44.29 35.67 129.97 44.88 34.54 130.74 44.59 3 0 1000.00 -999 ? >LEU~B 107 35.16 136.60 43.43 36.37 135.43 42.07 35.76 136.02 42.75 3 0 1000.00 -999 ? >GLY.B 108 33.07 137.71 47.67 33.01 137.95 46.95 33.04 137.83 47.31 1 0 1000.00 -999 ? >GLU.B 109 31.78 142.47 44.04 31.93 142.63 41.95 31.86 142.55 43.00 2 0 1000.00 -999 ? >VAL.B 110 27.88 141.57 45.52 26.45 141.48 47.17 27.16 141.53 46.34 3 0 1000.00 -999 ? >SER.B 111 26.57 142.58 42.08 27.36 143.11 39.82 26.97 142.85 40.95 2 0 1000.00 -999 ? >LEU.B 112 22.54 143.34 39.56 20.91 144.13 40.76 21.72 143.73 40.16 3 0 1000.00 -999 ? >THR.B 113 23.25 139.70 37.05 23.31 137.55 37.33 23.28 138.62 37.19 2 0 1000.00 -999 ? >SER.B 114 21.17 139.50 33.84 20.79 141.81 33.22 20.98 140.66 33.53 2 0 1000.00 -999 ? >GLY.B 115 22.12 135.90 33.04 21.58 136.07 33.61 21.85 135.98 33.33 1 0 1000.00 -999 ? >GLY.B 116 20.38 132.61 33.70 21.09 132.62 33.97 20.73 132.61 33.84 1 0 1000.00 -999 ? >ASP.B 117 23.50 130.36 36.19 24.16 128.94 37.62 23.83 129.65 36.90 2 0 1000.00 -999 ? >PRO.B 118 19.90 134.17 38.91 21.92 133.25 38.87 20.91 133.71 38.89 3 0 1000.00 -999 ? >ILE^B 119 22.95 133.72 44.16 23.97 133.49 45.12 23.46 133.60 44.64 3 0 1000.00 -999 ? >ALA^B 120 18.19 134.00 43.63 17.05 133.08 43.21 17.62 133.54 43.42 2 0 1000.00 -999 ? >VAL^B 121 17.05 136.35 46.38 18.39 137.64 47.48 17.72 137.00 46.93 3 0 1000.00 -999 ? >LYS^B 122 13.29 136.57 46.76 13.13 131.05 43.99 13.21 133.81 45.37 2 0 1000.00 -999 ? >LEU^B 123 11.58 139.92 49.39 13.44 140.59 50.22 12.51 140.26 49.81 3 0 1000.00 -999 ? >ARG^B 124 4.82 136.22 49.58 1.95 137.34 49.53 3.39 136.78 49.56 2 0 1000.00 -999 ? >LEU^B 125 6.25 142.52 48.97 8.14 143.49 48.64 7.20 143.00 48.80 3 0 1000.00 -999 ? >VAL.B 126 2.95 142.14 52.31 2.33 140.52 53.63 2.64 141.33 52.97 3 0 1000.00 -999 ? >THR.B 127 0.93 145.37 52.34 0.95 146.00 50.24 0.94 145.69 51.29 2 0 1000.00 -999 ? >PRO.B 129 -3.19 149.06 52.67 -3.61 146.88 52.47 -3.40 147.97 52.57 3 0 1000.00 -999 ? >SER.B 130 -2.74 144.24 49.75 -2.98 141.91 49.14 -2.86 143.07 49.44 2 0 1000.00 -999 ? >LYS~B 131 -2.71 145.47 46.15 -6.87 148.25 43.75 -4.79 146.86 44.95 2 0 1000.00 -999 ? >ARG~B 132 1.05 144.68 40.74 3.55 143.27 39.64 2.30 143.97 40.19 2 0 1000.00 -999 ? >VAL~B 135 3.49 146.44 47.27 2.87 144.45 46.67 3.18 145.45 46.97 3 0 1000.00 -999 ? >ILE~B 136 4.32 148.50 42.92 4.26 148.43 41.46 4.29 148.46 42.19 3 0 1000.00 -999 ? >GLU~B 137 3.31 152.72 45.31 4.62 153.60 43.87 3.96 153.16 44.59 2 0 1000.00 -999 ? >PHE~B 138 6.11 147.66 51.19 7.29 146.50 53.44 6.70 147.08 52.31 3 0 1000.00 -999 ? >ALA~B 139 9.18 148.19 47.41 9.10 147.68 45.97 9.14 147.94 46.69 2 0 1000.00 -999 ? >ARG~B 140 9.32 153.24 43.94 8.88 153.81 40.95 9.10 153.52 42.44 2 0 1000.00 -999 ? >GLU~B 141 9.09 151.70 53.05 7.43 152.56 54.03 8.26 152.13 53.54 2 0 1000.00 -999 ? >LEU~B 142 12.72 148.00 50.80 11.82 146.54 52.13 12.27 147.27 51.46 3 0 1000.00 -999 ? >CYH.B 143 15.35 152.13 49.80 13.92 154.18 48.39 14.64 153.16 49.09 2 0 1000.00 -999 ? >GLY.C 4 47.72 177.62 60.99 47.57 178.44 61.02 47.65 178.03 61.00 1 0 1000.00 -999 ? >LYS^C 5 45.89 179.04 57.97 48.53 182.68 53.60 47.21 180.86 55.78 2 0 1000.00 -999 ? >ILE^C 6 42.53 177.84 54.75 41.32 177.08 54.72 41.92 177.46 54.74 3 0 1000.00 -999 ? >GLU^C 7 48.28 178.53 50.31 49.76 179.64 51.30 49.02 179.09 50.80 2 0 1000.00 -999 ? >TRP^C 8 46.20 177.37 47.97 44.43 173.90 47.42 45.31 175.63 47.70 3 0 1000.00 -999 ? >VAL^C 9 40.08 176.72 48.72 38.42 176.75 50.18 39.25 176.74 49.45 3 0 1000.00 -999 ? >ARG^C 10 42.56 175.23 44.26 45.57 175.10 43.72 44.06 175.16 43.99 2 0 1000.00 -999 ? >VAL^C 11 35.76 173.69 44.40 33.94 173.99 45.57 34.85 173.84 44.98 3 0 1000.00 -999 ? >SER^C 12 35.76 171.70 41.15 37.38 169.99 41.62 36.57 170.84 41.39 2 0 1000.00 -999 ? >ALA^C 13 33.00 169.76 39.39 31.67 170.48 39.58 32.34 170.12 39.49 2 0 1000.00 -999 ? >VAL^C 14 32.55 167.88 36.12 33.76 166.17 35.50 33.15 167.02 35.81 3 0 1000.00 -999 ? >VAL^C 15 30.03 168.11 33.28 29.06 170.05 33.02 29.55 169.08 33.15 3 0 1000.00 -999 ? >HIS.C 16 29.50 163.46 32.97 30.49 163.04 34.77 29.99 163.25 33.87 3 0 1000.00 -999 ? >SER.C 17 28.02 165.38 27.49 29.54 164.35 25.88 28.78 164.87 26.69 2 0 1000.00 -999 ? >THR.C 18 24.53 164.76 28.84 24.52 162.64 29.26 24.53 163.70 29.05 2 0 1000.00 -999 ? >GLU.C 19 25.79 166.08 33.61 27.06 166.24 35.27 26.43 166.16 34.44 2 0 1000.00 -999 ? >ASP~C 20 22.16 171.33 32.03 21.91 173.43 32.09 22.04 172.38 32.06 2 0 1000.00 -999 ? >ARG~C 21 29.77 174.87 31.40 30.06 176.58 28.89 29.91 175.72 30.14 2 0 1000.00 -999 ? >GLU~C 22 23.79 177.14 32.32 25.43 178.42 32.76 24.61 177.78 32.54 2 0 1000.00 -999 ? >LYS~C 23 22.52 173.20 36.53 17.38 170.70 33.74 19.95 171.95 35.14 2 0 1000.00 -999 ? >VAL~C 24 25.96 171.88 37.53 27.51 170.78 36.48 26.73 171.33 37.00 3 0 1000.00 -999 ? >GLY~C 25 26.98 175.34 38.65 26.29 175.00 38.81 26.63 175.17 38.73 1 0 1000.00 -999 ? >GLU~C 26 22.30 176.71 38.51 20.51 176.42 37.40 21.40 176.57 37.96 2 0 1000.00 -999 ? >ALA~C 27 24.70 173.04 42.59 24.76 171.63 42.00 24.73 172.33 42.30 2 0 1000.00 -999 ? >ILE~C 28 29.19 174.82 42.24 30.52 174.74 41.66 29.86 174.78 41.95 3 0 1000.00 -999 ? >SER~C 29 26.78 177.80 44.45 24.78 177.91 43.09 25.78 177.86 43.77 2 0 1000.00 -999 ? >THR~C 30 25.01 175.87 47.22 23.68 174.15 47.16 24.34 175.01 47.19 2 0 1000.00 -999 ? >LEU~C 31 29.34 175.15 48.89 29.04 173.11 48.26 29.19 174.13 48.57 3 0 1000.00 -999 ? >PHE~C 32 30.68 179.48 46.61 32.86 177.92 45.82 31.77 178.70 46.21 3 0 1000.00 -999 ? >PRO.C 33 28.59 181.30 52.41 27.80 182.03 50.44 28.19 181.66 51.43 3 0 1000.00 -999 ? >PHE.C 34 30.97 184.75 49.40 32.98 182.82 49.78 31.97 183.79 49.59 3 0 1000.00 -999 ? >GLU.C 35 29.86 188.01 43.15 27.95 188.86 43.22 28.91 188.44 43.19 2 0 1000.00 -999 ? >PHE.C 36 30.97 181.62 43.39 28.86 179.97 42.56 29.92 180.80 42.98 3 0 1000.00 -999 ? >GLU.C 37 33.80 185.51 39.06 35.50 186.69 39.52 34.65 186.10 39.29 2 0 1000.00 -999 ? >ILE.C 38 32.14 178.97 37.20 31.51 178.93 37.71 31.83 178.95 37.45 3 0 1000.00 -999 ? >ALA^C 39 36.56 178.84 35.72 37.93 178.74 36.40 37.25 178.79 36.06 2 0 1000.00 -999 ? >VAL^C 40 35.38 176.67 32.80 33.47 176.73 31.80 34.42 176.70 32.30 3 0 1000.00 -999 ? >SER^C 41 38.14 174.33 31.58 39.71 172.48 31.76 38.93 173.41 31.67 2 0 1000.00 -999 ? >MET.C 51 33.61 166.36 29.22 34.38 163.82 32.38 33.99 165.09 30.80 2 0 1000.00 -999 ? >GLU^C 52 32.41 171.00 30.43 31.56 172.47 29.17 31.98 171.73 29.80 2 0 1000.00 -999 ? >LEU^C 54 32.59 173.87 36.64 31.28 174.26 34.97 31.94 174.06 35.80 3 0 1000.00 -999 ? >GLU^C 55 38.50 174.80 40.09 40.60 174.86 39.95 39.55 174.83 40.02 2 0 1000.00 -999 ? >VAL.C 56 36.25 178.02 41.71 34.27 178.61 42.41 35.26 178.31 42.06 3 0 1000.00 -999 ? >GLU^C 57 41.61 179.22 44.08 43.35 179.86 43.10 42.48 179.54 43.59 2 0 1000.00 -999 ? >LEU^C 58 38.23 180.95 48.27 36.09 180.95 48.20 37.16 180.95 48.24 3 0 1000.00 -999 ? >THR.C 59 42.20 183.33 48.04 43.60 183.62 46.44 42.90 183.48 47.24 2 0 1000.00 -999 ? >LYS~C 60 40.86 186.05 50.35 37.71 190.34 46.88 39.28 188.19 48.61 2 0 1000.00 -999 ? >SER~C 61 40.87 184.84 53.95 41.19 186.49 55.70 41.03 185.66 54.82 2 0 1000.00 -999 ? >SER~C 62 37.47 186.53 54.38 38.25 188.63 53.55 37.86 187.58 53.96 2 0 1000.00 -999 ? >GLU~C 63 35.77 185.87 49.78 36.22 186.10 47.75 36.00 185.99 48.77 2 0 1000.00 -999 ? >ILE~C 64 39.53 181.27 52.89 40.80 180.69 52.44 40.17 180.98 52.67 3 0 1000.00 -999 ? >LYS~C 65 36.72 182.00 56.35 39.61 186.51 59.32 38.16 184.25 57.84 2 0 1000.00 -999 ? >LYS~C 66 33.10 182.60 55.33 32.00 188.70 54.04 32.55 185.65 54.69 2 0 1000.00 -999 ? >PHE~C 67 34.11 177.93 51.41 33.67 175.57 50.01 33.89 176.75 50.71 3 0 1000.00 -999 ? >TRP~C 68 36.31 176.22 58.99 36.47 172.73 57.20 36.39 174.48 58.09 3 0 1000.00 -999 ? >LYS~C 69 31.97 178.57 58.48 28.52 181.35 61.56 30.25 179.96 60.02 2 0 1000.00 -999 ? >ASN~C 70 28.71 179.09 54.98 27.88 178.05 53.32 28.30 178.57 54.15 2 0 1000.00 -999 ? >LEU~C 71 31.82 174.51 54.78 32.45 172.96 53.38 32.13 173.74 54.08 3 0 1000.00 -999 ? >LEU~C 72 31.28 173.50 59.78 33.31 172.79 59.81 32.30 173.14 59.80 3 0 1000.00 -999 ? >GLU~C 73 26.60 177.37 59.86 28.49 177.87 60.70 27.54 177.62 60.28 2 0 1000.00 -999 ? >LEU~C 74 25.74 173.45 54.76 24.76 175.08 53.74 25.25 174.26 54.25 3 0 1000.00 -999 ? >LEU~C 75 28.51 169.39 56.97 29.80 168.87 55.31 29.15 169.13 56.14 3 0 1000.00 -999 ? >GLY~C 76 25.84 169.78 60.44 26.43 169.31 60.12 26.13 169.54 60.28 1 0 1000.00 -999 ? >GLU.C 77 23.45 165.80 62.54 23.53 165.95 64.66 23.49 165.88 63.60 2 0 1000.00 -999 ? >GLN~C 78 26.50 164.69 57.15 25.83 165.24 55.22 26.17 164.97 56.19 2 0 1000.00 -999 ? >ALA~C 79 30.83 167.54 60.22 30.59 168.91 60.87 30.71 168.23 60.54 2 0 1000.00 -999 ? >GLU~C 81 31.88 160.91 57.94 32.39 159.01 58.72 32.14 159.96 58.33 2 0 1000.00 -999 ? >ILE~C 82 34.97 165.67 58.11 34.92 166.64 57.08 34.95 166.15 57.60 3 0 1000.00 -999 ? >LEU~C 83 35.27 165.49 63.21 35.71 166.62 65.00 35.49 166.05 64.11 3 0 1000.00 -999 ? >SER~C 84 36.67 161.20 62.34 34.32 160.64 62.63 35.49 160.92 62.49 2 0 1000.00 -999 ? >THR~C 85 38.84 160.63 59.28 38.10 160.04 57.33 38.47 160.33 58.31 2 0 1000.00 -999 ? >LEU~C 86 41.88 164.30 59.96 40.46 165.59 60.98 41.17 164.94 60.47 3 0 1000.00 -999 ? >GLU~C 87 43.82 159.09 59.33 44.45 157.05 59.22 44.14 158.07 59.28 2 0 1000.00 -999 ? >ASP~C 88 41.55 158.98 55.44 41.99 157.25 56.58 41.77 158.12 56.01 2 0 1000.00 -999 ? >ARG~C 89 37.51 163.70 55.35 35.00 162.96 53.73 36.25 163.33 54.54 2 0 1000.00 -999 ? >ILE~C 90 44.93 165.33 55.66 44.50 166.72 55.98 44.71 166.03 55.82 3 0 1000.00 -999 ? >ASP.C 91 46.27 164.63 50.01 47.15 166.45 49.43 46.71 165.54 49.72 2 0 1000.00 -999 ? >GLU.C 92 50.78 164.60 48.58 49.92 163.13 47.33 50.35 163.86 47.95 2 0 1000.00 -999 ? >GLN.C 93 51.11 168.38 48.04 49.66 167.24 46.98 50.38 167.81 47.51 2 0 1000.00 -999 ? >ASN.C 94 49.10 169.88 54.48 51.01 169.33 55.23 50.05 169.60 54.85 2 0 1000.00 -999 ? >VAL^C 95 45.47 169.35 51.34 45.35 170.03 49.24 45.41 169.69 50.29 3 0 1000.00 -999 ? >LEU^C 96 41.58 169.15 54.13 40.09 168.31 55.41 40.84 168.73 54.77 3 0 1000.00 -999 ? >HIS^C 97 41.20 165.83 49.22 42.93 166.23 48.10 42.06 166.03 48.66 3 0 1000.00 -999 ? >ILE^C 98 35.10 168.07 51.78 35.21 168.29 52.64 35.15 168.18 52.21 3 0 1000.00 -999 ? >ILE^C 100 29.46 167.36 48.90 29.50 168.70 49.19 29.48 168.03 49.05 3 0 1000.00 -999 ? >ASP~C 101 25.45 164.48 47.38 24.15 163.21 46.31 24.80 163.85 46.85 2 0 1000.00 -999 ? >LYS~C 102 26.37 166.88 43.37 29.00 166.54 38.13 27.68 166.71 40.75 2 0 1000.00 -999 ? >GLN~C 103 22.80 163.71 41.66 22.67 164.99 39.94 22.74 164.35 40.80 2 0 1000.00 -999 ? >LYS~C 104 21.69 166.79 46.65 20.81 162.01 48.62 21.25 164.40 47.63 2 0 1000.00 -999 ? >ALA~C 105 23.78 169.94 46.24 25.20 169.97 45.70 24.49 169.95 45.97 2 0 1000.00 -999 ? >TYR~C 106 20.67 170.91 40.90 19.11 172.22 38.97 19.89 171.56 39.94 3 0 1000.00 -999 ? >LEU~C 107 18.18 169.29 45.94 17.15 167.87 44.67 17.67 168.58 45.31 3 0 1000.00 -999 ? >GLY~C 108 20.35 172.55 48.30 20.34 171.72 48.38 20.35 172.13 48.34 1 0 1000.00 -999 ? >GLU.C 109 21.27 168.01 52.05 20.37 166.10 51.88 20.82 167.05 51.96 2 0 1000.00 -999 ? >VAL.C 110 25.49 169.34 51.59 26.22 171.08 52.67 25.85 170.21 52.13 3 0 1000.00 -999 ? >SER.C 111 26.27 165.67 51.98 23.93 165.32 52.44 25.10 165.49 52.21 2 0 1000.00 -999 ? >LEU.C 112 30.44 163.46 53.05 30.35 164.24 55.06 30.39 163.85 54.06 3 0 1000.00 -999 ? >THR.C 113 29.42 161.23 49.18 28.86 161.48 47.08 29.14 161.36 48.13 2 0 1000.00 -999 ? >SER.C 114 31.51 158.16 48.43 31.83 156.91 50.50 31.67 157.53 49.46 2 0 1000.00 -999 ? >GLY.C 115 29.97 158.44 44.98 30.70 158.65 45.24 30.34 158.54 45.11 1 0 1000.00 -999 ? >GLY.C 116 32.08 158.63 41.86 31.48 159.13 41.90 31.78 158.88 41.88 1 0 1000.00 -999 ? >ASP.C 117 29.79 161.89 39.55 29.58 163.61 38.34 29.68 162.75 38.95 2 0 1000.00 -999 ? >PRO.C 118 33.14 163.51 44.08 31.22 163.93 43.05 32.18 163.72 43.57 3 0 1000.00 -999 ? >ILE^C 119 30.68 169.16 44.26 29.79 170.27 44.02 30.24 169.72 44.14 3 0 1000.00 -999 ? >ALA^C 120 35.33 167.99 45.09 36.54 167.58 44.27 35.94 167.78 44.68 2 0 1000.00 -999 ? >VAL^C 121 36.15 170.50 47.78 34.51 171.49 48.79 35.33 171.00 48.29 3 0 1000.00 -999 ? >LYS^C 122 39.78 170.77 48.78 38.94 170.21 43.81 39.36 170.49 46.30 2 0 1000.00 -999 ? >LEU^C 123 40.75 173.99 51.83 39.40 173.00 53.21 40.08 173.49 52.52 3 0 1000.00 -999 ? >ARG^C 124 48.91 174.42 50.34 51.55 174.11 48.84 50.23 174.26 49.59 2 0 1000.00 -999 ? >LEU^C 125 45.83 172.66 56.29 43.77 172.20 56.75 44.80 172.43 56.52 3 0 1000.00 -999 ? >VAL^C 126 49.41 175.52 56.56 50.28 176.92 55.13 49.84 176.22 55.85 3 0 1000.00 -999 ? >THR.C 127 51.19 174.99 59.91 50.90 173.38 61.37 51.04 174.18 60.64 2 0 1000.00 -999 ? >TYR.C 128 53.56 178.62 60.71 51.88 180.03 58.96 52.72 179.33 59.83 3 0 1000.00 -999 ? >PRO.C 129 58.49 174.19 60.70 56.27 174.47 60.65 57.38 174.33 60.68 3 0 1000.00 -999 ? >SER.C 130 53.64 172.20 58.07 52.90 173.58 56.21 53.27 172.89 57.14 2 0 1000.00 -999 ? >VAL~C 135 48.74 170.05 60.64 49.51 170.11 58.60 49.13 170.08 59.62 3 0 1000.00 -999 ? >ILE~C 136 46.77 165.78 61.92 46.01 165.03 60.92 46.39 165.41 61.42 3 0 1000.00 -999 ? >PHE~C 138 45.24 174.20 61.56 43.99 176.28 60.14 44.62 175.24 60.85 3 0 1000.00 -999 ? >ALA~C 139 42.75 170.33 60.81 43.17 169.07 60.06 42.96 169.70 60.43 2 0 1000.00 -999 ? >ARG~C 140 42.77 167.82 66.91 41.56 165.09 66.15 42.16 166.46 66.53 2 0 1000.00 -999 ? >GLU.C 141 39.68 173.24 61.85 40.21 174.47 60.22 39.94 173.85 61.03 2 0 1000.00 -999 ? >LEU.C 142 35.80 170.37 63.71 36.04 169.48 61.75 35.92 169.93 62.73 3 0 1000.00 -999 ? >CYH.C 143 33.96 173.24 66.70 36.12 174.96 66.73 35.04 174.10 66.72 2 0 1000.00 -999 ? >LYS.D 3 13.55 130.44 14.98 13.20 132.17 12.21 13.37 131.31 13.60 2 0 1000.00 -999 ? >GLY.D 4 11.24 132.55 17.15 11.58 132.99 16.44 11.41 132.77 16.79 1 0 1000.00 -999 ? >LYS^D 5 10.50 136.25 17.46 4.70 138.58 18.11 7.60 137.42 17.78 2 0 1000.00 -999 ? >ILE^D 6 12.22 140.43 19.10 13.56 141.04 19.14 12.89 140.74 19.12 3 0 1000.00 -999 ? >GLU^D 7 5.89 139.49 22.69 5.34 138.98 24.67 5.61 139.23 23.68 2 0 1000.00 -999 ? >TRP^D 8 7.35 142.61 25.06 10.60 143.32 27.16 8.98 142.97 26.11 3 0 1000.00 -999 ? >VAL^D 9 11.97 145.93 22.71 13.54 146.18 21.20 12.75 146.06 21.96 3 0 1000.00 -999 ? >ARG^D 10 9.89 146.91 28.06 7.65 145.10 29.14 8.77 146.00 28.60 2 0 1000.00 -999 ? >VAL^D 11 15.10 151.15 25.54 16.20 151.77 23.76 15.65 151.46 24.65 3 0 1000.00 -999 ? >SER^D 12 15.52 153.16 28.72 15.20 151.24 30.12 15.36 152.20 29.42 2 0 1000.00 -999 ? >ALA^D 13 17.74 155.64 30.52 18.42 156.53 29.50 18.08 156.09 30.01 2 0 1000.00 -999 ? >VAL^D 14 17.57 157.86 33.60 17.48 157.17 35.67 17.52 157.51 34.63 3 0 1000.00 -999 ? >VAL^D 15 17.84 161.63 33.88 16.89 162.82 32.32 17.36 162.23 33.10 3 0 1000.00 -999 ? >HIS.D 16 21.26 161.29 37.26 21.55 159.21 37.29 21.41 160.25 37.27 3 0 1000.00 -999 ? >SER.D 17 18.85 166.52 38.51 18.20 165.88 40.77 18.53 166.20 39.64 2 0 1000.00 -999 ? >THR.D 18 21.98 167.86 36.81 23.92 167.88 37.67 22.95 167.87 37.24 2 0 1000.00 -999 ? >GLU.D 19 21.87 164.03 33.82 21.73 162.03 33.24 21.80 163.03 33.53 2 0 1000.00 -999 ? >ASP~D 20 19.88 168.56 29.48 18.80 169.18 27.76 19.34 168.87 28.62 2 0 1000.00 -999 ? >ARG~D 21 12.52 165.08 30.20 10.73 166.89 31.89 11.63 165.98 31.04 2 0 1000.00 -999 ? >VAL~D 24 19.71 162.50 26.85 19.51 161.70 28.89 19.61 162.10 27.87 3 0 1000.00 -999 ? >GLY~D 25 16.74 161.87 24.57 17.56 162.05 24.42 17.15 161.96 24.50 1 0 1000.00 -999 ? >GLU~D 26 19.44 164.84 20.87 17.41 165.21 21.42 18.43 165.02 21.15 2 0 1000.00 -999 ? >ALA~D 27 21.87 159.96 23.20 22.51 159.97 24.58 22.19 159.97 23.89 2 0 1000.00 -999 ? >ILE~D 28 17.44 157.96 23.69 17.01 156.79 24.54 17.23 157.37 24.11 3 0 1000.00 -999 ? >SER~D 29 18.02 158.39 19.44 18.73 160.62 18.75 18.38 159.50 19.09 2 0 1000.00 -999 ? >THR~D 30 21.56 157.43 18.40 23.66 157.76 18.91 22.61 157.59 18.66 2 0 1000.00 -999 ? >LEU.D 31 19.78 153.27 19.94 21.23 152.69 21.43 20.51 152.98 20.69 3 0 1000.00 -999 ? >PHE.D 32 15.48 154.55 18.13 14.63 153.24 20.46 15.05 153.89 19.29 3 0 1000.00 -999 ? >PRO.D 33 16.91 152.60 12.47 17.08 154.72 13.16 17.00 153.66 12.81 3 0 1000.00 -999 ? >PHE.D 34 12.68 153.66 13.22 12.68 151.73 15.24 12.68 152.70 14.23 3 0 1000.00 -999 ? >GLU.D 35 9.24 160.03 14.29 10.69 161.56 14.29 9.97 160.80 14.29 2 0 1000.00 -999 ? >PHE.D 36 12.20 156.96 18.79 14.52 158.22 19.73 13.36 157.59 19.26 3 0 1000.00 -999 ? >GLU.D 37 5.65 158.62 21.90 4.84 159.98 20.48 5.25 159.30 21.19 2 0 1000.00 -999 ? >ILE.D 38 10.64 159.21 24.60 12.16 159.25 24.83 11.40 159.23 24.72 3 0 1000.00 -999 ? >ALA^D 39 7.34 157.90 27.82 6.72 156.60 28.31 7.03 157.25 28.06 2 0 1000.00 -999 ? >VAL^D 40 8.44 160.05 30.75 9.45 161.91 30.24 8.95 160.98 30.49 3 0 1000.00 -999 ? >SER^D 41 7.91 158.91 34.35 7.73 157.26 36.12 7.82 158.08 35.23 2 0 1000.00 -999 ? >LYS^D 42 9.28 160.38 37.58 8.87 164.52 34.24 9.07 162.45 35.91 2 0 1000.00 -999 ? >ALA^D 43 10.14 159.03 41.02 9.94 157.52 40.87 10.04 158.27 40.95 2 0 1000.00 -999 ? >GLY.D 45 16.03 157.51 43.05 15.69 157.50 43.75 15.86 157.51 43.40 1 0 1000.00 -999 ? >GLY.D 48 16.17 160.13 48.07 16.71 160.25 47.44 16.44 160.19 47.75 1 0 1000.00 -999 ? >ASN.D 49 18.35 162.07 44.22 19.76 163.24 45.26 19.06 162.66 44.74 2 0 1000.00 -999 ? >PRO^D 50 13.83 164.71 43.81 14.72 162.87 42.94 14.27 163.79 43.38 3 0 1000.00 -999 ? >MET^D 51 14.67 160.76 39.29 17.60 159.16 39.41 16.13 159.96 39.35 2 0 1000.00 -999 ? >TYR^D 53 12.37 156.36 35.78 12.97 155.69 38.45 12.67 156.03 37.12 3 0 1000.00 -999 ? >LEU^D 54 13.87 158.44 29.20 13.76 160.58 29.25 13.81 159.51 29.23 3 0 1000.00 -999 ? >GLU^D 55 11.20 151.97 28.43 9.66 150.59 28.90 10.43 151.28 28.66 2 0 1000.00 -999 ? >VAL^D 56 11.09 153.74 24.37 12.11 154.82 22.79 11.60 154.28 23.58 3 0 1000.00 -999 ? >GLU^D 57 7.68 148.64 24.24 5.97 148.12 25.38 6.83 148.38 24.81 2 0 1000.00 -999 ? >LEU^D 58 10.15 148.78 19.13 11.53 150.39 18.71 10.84 149.58 18.92 3 0 1000.00 -999 ? >THR.D 59 5.96 146.70 19.41 3.93 147.04 20.08 4.95 146.87 19.75 2 0 1000.00 -999 ? >SER~D 61 7.59 143.79 14.16 6.38 143.14 12.16 6.98 143.46 13.16 2 0 1000.00 -999 ? >SER~D 62 8.58 146.24 11.44 6.27 146.70 10.85 7.42 146.47 11.15 2 0 1000.00 -999 ? >GLU~D 63 8.44 150.16 14.43 7.49 151.20 16.01 7.97 150.68 15.22 2 0 1000.00 -999 ? >ILE~D 64 10.87 144.50 16.30 10.67 144.42 17.82 10.77 144.46 17.06 3 0 1000.00 -999 ? >LYS~D 65 13.56 144.19 13.00 12.09 139.83 14.82 12.83 142.01 13.91 2 0 1000.00 -999 ? >LYS~D 66 14.77 147.41 11.38 16.69 151.48 8.63 15.73 149.44 10.00 2 0 1000.00 -999 ? >PHE~D 67 15.60 148.73 17.33 16.97 148.73 19.76 16.28 148.73 18.54 3 0 1000.00 -999 ? >TRP~D 68 18.54 141.99 15.14 20.16 141.99 18.73 19.35 141.99 16.93 3 0 1000.00 -999 ? >ASN~D 70 19.50 150.00 13.23 20.54 151.79 13.80 20.02 150.89 13.52 2 0 1000.00 -999 ? >LEU~D 71 20.76 147.62 17.58 21.48 147.37 19.60 21.12 147.50 18.59 3 0 1000.00 -999 ? >LEU~D 72 23.14 144.10 14.54 23.68 142.05 14.96 23.41 143.07 14.75 3 0 1000.00 -999 ? >GLU~D 73 22.94 147.97 10.66 21.71 149.41 9.69 22.33 148.69 10.17 2 0 1000.00 -999 ? >LEU~D 74 25.12 151.28 15.50 24.20 152.94 14.48 24.66 152.11 14.99 3 0 1000.00 -999 ? >LEU~D 75 26.52 147.09 18.16 26.81 146.30 20.13 26.66 146.70 19.15 3 0 1000.00 -999 ? >GLY~D 76 29.34 146.37 14.82 29.25 146.11 15.51 29.30 146.24 15.16 1 0 1000.00 -999 ? >GLU.D 77 34.97 144.09 15.69 34.53 142.79 14.06 34.75 143.44 14.88 2 0 1000.00 -999 ? >GLN~D 78 31.57 146.74 20.12 30.91 148.36 21.33 31.24 147.55 20.72 2 0 1000.00 -999 ? >ALA~D 79 28.36 142.07 18.44 27.70 142.19 17.07 28.03 142.13 17.75 2 0 1000.00 -999 ? >GLU~D 81 33.02 141.46 22.90 34.14 139.84 23.70 33.58 140.65 23.30 2 0 1000.00 -999 ? >ILE~D 82 26.30 140.64 21.66 25.45 141.57 22.49 25.88 141.11 22.08 3 0 1000.00 -999 ? >LEU~D 83 28.21 136.20 19.70 27.06 135.04 18.28 27.63 135.62 18.99 3 0 1000.00 -999 ? >SER~D 84 30.18 134.99 23.43 31.88 136.70 23.56 31.03 135.84 23.49 2 0 1000.00 -999 ? >THR~D 85 28.37 136.38 26.48 29.37 138.28 26.53 28.87 137.33 26.51 2 0 1000.00 -999 ? >LEU~D 86 24.43 134.51 24.43 23.65 134.96 22.48 24.04 134.73 23.45 3 0 1000.00 -999 ? >GLU~D 87 24.76 130.88 29.63 23.51 129.59 28.53 24.14 130.23 29.08 2 0 1000.00 -999 ? >ASP~D 88 26.35 136.71 31.28 27.65 135.14 31.73 27.00 135.92 31.51 2 0 1000.00 -999 ? >ARG~D 89 24.71 139.39 25.93 26.18 141.95 26.53 25.45 140.67 26.23 2 0 1000.00 -999 ? >ILE.D 90 19.36 135.39 27.75 18.86 134.91 26.50 19.11 135.15 27.12 3 0 1000.00 -999 ? >ASP.D 91 17.08 137.19 32.96 15.59 138.26 31.93 16.33 137.73 32.44 2 0 1000.00 -999 ? >GLU.D 92 16.72 132.29 34.85 17.00 131.67 36.85 16.86 131.98 35.85 2 0 1000.00 -999 ? >GLN.D 93 12.25 136.86 33.86 11.85 135.02 34.90 12.05 135.94 34.38 2 0 1000.00 -999 ? >ASN.D 94 12.99 134.43 27.48 12.60 132.48 28.14 12.79 133.45 27.81 2 0 1000.00 -999 ? >VAL^D 95 14.94 138.76 28.13 13.80 140.40 28.99 14.37 139.58 28.56 3 0 1000.00 -999 ? >LEU^D 96 18.27 139.42 24.77 20.14 139.41 23.66 19.20 139.42 24.21 3 0 1000.00 -999 ? >HIS^D 97 18.91 142.01 30.16 17.10 141.61 31.14 18.01 141.81 30.65 3 0 1000.00 -999 ? >ILE^D 98 22.08 145.11 24.74 22.74 144.79 23.43 22.41 144.95 24.08 3 0 1000.00 -999 ? >ILE^D 100 24.43 151.70 24.83 24.13 151.19 24.23 24.28 151.45 24.53 3 0 1000.00 -999 ? >ASP^D 101 28.83 154.00 26.82 29.93 155.51 27.78 29.38 154.76 27.30 2 0 1000.00 -999 ? >LYS~D 102 24.99 156.82 27.77 22.22 159.16 31.73 23.60 157.99 29.75 2 0 1000.00 -999 ? >GLN~D 103 28.60 159.94 29.38 27.19 161.54 29.44 27.90 160.74 29.41 2 0 1000.00 -999 ? >LYS~D 104 29.35 157.90 23.95 32.79 154.13 26.06 31.07 156.02 25.00 2 0 1000.00 -999 ? >ALA~D 105 25.76 157.50 22.74 24.64 156.89 23.57 25.20 157.20 23.16 2 0 1000.00 -999 ? >TYR~D 106 25.20 163.57 23.94 24.55 166.25 23.40 24.88 164.91 23.67 3 0 1000.00 -999 ? >LEU~D 107 29.41 161.54 20.95 30.18 163.23 22.07 29.80 162.39 21.51 3 0 1000.00 -999 ? >GLY.D 108 26.39 158.91 18.11 26.99 158.80 18.60 26.69 158.86 18.36 1 0 1000.00 -999 ? >GLU.D 109 30.97 155.23 19.77 32.49 155.51 21.19 31.73 155.37 20.48 2 0 1000.00 -999 ? >VAL.D 110 27.22 152.73 20.34 25.44 151.65 19.68 26.33 152.19 20.01 3 0 1000.00 -999 ? >SER.D 111 29.44 151.12 22.96 31.55 151.37 24.15 30.50 151.24 23.55 2 0 1000.00 -999 ? >LEU.D 112 28.89 146.83 25.13 27.90 145.51 23.74 28.39 146.17 24.44 3 0 1000.00 -999 ? >THR.D 113 29.34 149.41 28.94 28.52 151.21 29.80 28.93 150.31 29.37 2 0 1000.00 -999 ? >SER.D 114 29.51 147.94 32.44 31.12 146.23 31.87 30.32 147.09 32.16 2 0 1000.00 -999 ? >GLY.D 115 29.06 151.46 33.80 28.51 150.89 33.75 28.79 151.17 33.78 1 0 1000.00 -999 ? >GLY.D 116 26.52 152.41 36.43 26.51 152.73 35.74 26.51 152.57 36.08 1 0 1000.00 -999 ? >ASP.D 117 24.40 156.20 34.77 22.86 157.37 33.89 23.63 156.79 34.33 2 0 1000.00 -999 ? >PRO^D 118 23.52 151.24 31.87 23.83 153.41 31.55 23.68 152.32 31.71 3 0 1000.00 -999 ? >ILE^D 119 21.13 153.64 26.88 20.73 154.64 25.89 20.93 154.14 26.39 3 0 1000.00 -999 ? >ALA^D 120 19.24 149.71 28.95 18.48 149.42 30.24 18.86 149.56 29.60 2 0 1000.00 -999 ? >VAL^D 121 18.01 147.74 25.96 18.75 148.27 23.97 18.38 148.01 24.97 3 0 1000.00 -999 ? >LYS^D 122 15.87 144.69 26.76 15.57 148.52 29.34 15.72 146.60 28.05 2 0 1000.00 -999 ? >LEU^D 123 15.37 142.23 22.91 17.11 143.24 22.16 16.24 142.73 22.53 3 0 1000.00 -999 ? >ARG^D 124 8.69 138.55 26.56 9.18 135.68 27.57 8.94 137.11 27.07 2 0 1000.00 -999 ? >LEU^D 125 13.97 136.05 22.69 15.80 136.99 22.09 14.89 136.52 22.39 3 0 1000.00 -999 ? >VAL^D 126 9.81 134.05 22.43 8.15 135.43 22.02 8.98 134.74 22.22 3 0 1000.00 -999 ? >THR.D 127 10.12 130.51 21.11 12.20 130.20 21.80 11.16 130.35 21.46 2 0 1000.00 -999 ? >TYR.D 128 5.85 126.29 20.40 4.07 124.46 21.57 4.96 125.38 20.98 3 0 1000.00 -999 ? >PRO.D 129 8.84 123.15 22.59 8.91 125.35 22.30 8.88 124.25 22.45 3 0 1000.00 -999 ? >SER.D 130 9.79 128.14 25.47 9.17 130.32 26.25 9.48 129.23 25.86 2 0 1000.00 -999 ? >LYS~D 131 13.14 126.61 26.39 12.44 120.93 23.74 12.79 123.77 25.07 2 0 1000.00 -999 ? >ARG~D 132 18.43 129.75 29.32 19.83 132.29 30.29 19.13 131.02 29.81 2 0 1000.00 -999 ? >VAL~D 135 15.83 130.60 23.20 14.94 131.73 24.83 15.39 131.17 24.02 3 0 1000.00 -999 ? >ILE~D 136 20.50 130.04 24.24 21.88 129.80 23.70 21.19 129.92 23.97 3 0 1000.00 -999 ? >GLU~D 137 19.11 127.56 17.94 17.65 126.17 17.28 18.38 126.87 17.61 2 0 1000.00 -999 ? >PHE~D 138 15.30 133.45 18.58 14.06 135.80 17.72 14.68 134.63 18.15 3 0 1000.00 -999 ? >ALA~D 139 19.33 134.78 20.14 19.61 134.91 21.62 19.47 134.85 20.88 2 0 1000.00 -999 ? >ARG~D 140 24.85 130.32 18.55 24.62 128.78 21.18 24.73 129.55 19.86 2 0 1000.00 -999 ? >LEU~D 142 19.01 137.77 17.13 16.90 137.97 17.10 17.96 137.87 17.11 3 0 1000.00 -999 ? >CYH~D 143 23.34 138.08 15.76 23.72 137.93 18.53 23.53 138.01 17.14 2 0 1000.00 -999 ? >THR.D 144 22.97 137.70 11.97 21.19 138.90 11.51 22.08 138.30 11.74 2 0 1000.00 -999 ?