REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-OCT-06 2IQI COMPND HYPOTHETICAL PROTEIN XCC0632; COMPND 3 CHAIN: A, B, C, D, E, F, G, H; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; SOURCE 3 ORGANISM_TAXID: 340; SOURCE 4 STRAIN: PV. CAMPESTRIS; SOURCE 5 GENE: XCC0632; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,J.GILMORE,K.T.BAIN,C.MCKENZIE,L.PELLETIER, AUTHOR 2 S.WASSERMAN,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH AUTHOR 3 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) >ALA.A 32 55.89 35.30 49.42 56.55 36.24 48.39 56.22 35.77 48.91 2 0 1000.00 -999 ? >THR^A 33 53.65 32.67 47.87 51.90 31.75 48.66 52.77 32.21 48.27 2 0 1000.00 -999 ? >ILE^A 34 55.85 31.95 43.70 56.35 33.17 43.22 56.10 32.56 43.46 3 0 1000.00 -999 ? >TYR^A 35 49.53 32.38 43.24 48.47 32.33 45.85 49.00 32.36 44.54 3 0 1000.00 -999 ? >ALA.A 36 51.87 29.83 38.50 53.12 28.99 38.41 52.50 29.41 38.46 2 0 1000.00 -999 ? >PRO.A 37 48.35 31.54 36.82 49.34 29.54 36.78 48.85 30.54 36.80 3 0 1000.00 -999 ? >THR.A 38 48.70 26.47 33.86 49.21 24.49 34.37 48.95 25.48 34.11 2 0 1000.00 -999 ? >VAL.A 39 47.11 27.45 30.61 46.75 29.51 29.98 46.93 28.48 30.30 3 0 1000.00 -999 ? >ARG.A 40 47.74 21.52 29.77 50.86 21.71 29.81 49.30 21.61 29.79 2 0 1000.00 -999 ? >VAL.A 41 44.27 26.00 25.16 44.17 27.95 24.31 44.22 26.98 24.74 3 0 1000.00 -999 ? >THR.A 42 41.94 23.55 23.47 40.33 22.30 24.28 41.14 22.92 23.88 2 0 1000.00 -999 ? >PRO.A 43 43.57 21.73 20.00 42.27 23.53 20.36 42.92 22.63 20.18 3 0 1000.00 -999 ? >ASN.A 44 38.51 26.13 18.02 36.53 26.50 17.34 37.52 26.31 17.68 2 0 1000.00 -999 ? >PRO.A 45 36.73 21.17 16.67 37.82 22.85 15.68 37.28 22.01 16.17 3 0 1000.00 -999 ? >ALA.A 46 36.61 25.60 13.19 35.28 26.28 13.47 35.95 25.94 13.33 2 0 1000.00 -999 ? >TRP.A 47 39.52 28.86 15.84 41.86 28.03 18.88 40.69 28.45 17.36 3 0 1000.00 -999 ? >PRO.A 48 41.53 29.80 9.94 41.12 27.65 10.31 41.32 28.72 10.12 3 0 1000.00 -999 ? >GLN.A 49 46.00 23.32 8.91 45.97 21.25 9.44 45.98 22.28 9.18 2 0 1000.00 -999 ? >VAL.A 50 46.93 27.96 7.73 46.81 29.64 9.15 46.87 28.80 8.44 3 0 1000.00 -999 ? >SER.A 51 50.37 28.12 6.09 50.23 28.34 3.74 50.30 28.23 4.92 2 0 1000.00 -999 ? >TRP.A 52 48.15 32.58 6.58 47.97 33.51 10.41 48.06 33.05 8.49 3 0 1000.00 -999 ? >GLN^A 53 55.66 31.15 8.12 57.77 30.77 7.98 56.72 30.96 8.05 2 0 1000.00 -999 ? >LEU^A 54 52.16 33.73 13.48 50.69 34.97 14.61 51.43 34.35 14.05 3 0 1000.00 -999 ? >LEU^A 55 56.60 37.43 14.22 58.10 38.46 15.47 57.35 37.95 14.84 3 0 1000.00 -999 ? >VAL^A 56 54.26 36.98 18.30 53.02 35.66 19.58 53.64 36.32 18.94 3 0 1000.00 -999 ? >ALA.A 57 55.68 40.26 19.63 55.26 41.64 19.17 55.47 40.95 19.40 2 0 1000.00 -999 ? >LYS.A 58 56.47 41.07 23.28 62.33 41.22 25.96 59.40 41.15 24.62 2 0 1000.00 -999 ? >PRO.A 59 52.83 40.16 25.45 53.79 41.98 24.61 53.31 41.07 25.03 3 0 1000.00 -999 ? >SER.A 60 53.54 45.99 25.93 52.52 47.38 24.22 53.03 46.68 25.08 2 0 1000.00 -999 ? >ALA.A 61 52.23 47.44 29.22 51.92 46.15 29.97 52.07 46.80 29.60 2 0 1000.00 -999 ? >ALA.A 62 52.71 49.90 32.08 51.64 50.64 32.78 52.17 50.27 32.43 2 0 1000.00 -999 ? >ARG.A 63 58.80 50.58 34.95 61.70 51.32 34.17 60.25 50.95 34.56 2 0 1000.00 -999 ? >ILE.A 64 51.66 49.22 37.60 50.56 49.82 38.11 51.11 49.52 37.85 3 0 1000.00 -999 ? >ILE.A 65 50.51 45.56 33.61 49.37 45.37 32.67 49.94 45.47 33.14 3 0 1000.00 -999 ? >ASP.A 66 55.30 45.02 32.71 56.52 43.89 31.47 55.91 44.45 32.09 2 0 1000.00 -999 ? >SER.A 67 55.76 43.21 37.22 54.43 43.68 39.19 55.10 43.44 38.21 2 0 1000.00 -999 ? >PRO.A 68 57.81 40.12 39.76 55.86 40.44 38.66 56.84 40.28 39.21 3 0 1000.00 -999 ? >ARG.A 69 54.91 44.43 43.20 56.92 46.66 43.70 55.91 45.54 43.45 2 0 1000.00 -999 ? >ILE.A 70 49.00 39.73 42.19 48.53 38.35 42.09 48.77 39.04 42.14 3 0 1000.00 -999 ? >ASN^A 71 47.28 44.77 39.75 49.17 45.35 38.98 48.23 45.06 39.37 2 0 1000.00 -999 ? >VAL^A 72 44.16 44.52 42.90 43.98 44.06 45.08 44.07 44.29 43.99 3 0 1000.00 -999 ? >ARG^A 73 39.89 49.27 39.66 42.06 50.51 37.85 40.97 49.89 38.75 2 0 1000.00 -999 ? >PRO.A 74 41.70 48.38 46.91 40.32 47.43 45.44 41.01 47.91 46.18 3 0 1000.00 -999 ? >THR.A 75 37.88 50.50 44.93 37.85 51.79 46.74 37.86 51.15 45.83 2 0 1000.00 -999 ? >PRO.A 76 35.03 51.83 42.20 37.27 51.77 42.19 36.15 51.80 42.19 3 0 1000.00 -999 ? >GLY.A 77 39.91 54.72 41.22 40.08 54.11 41.68 39.99 54.41 41.45 1 0 1000.00 -999 ? >GLU.A 78 43.44 53.47 45.34 42.88 53.61 47.39 43.16 53.54 46.36 2 0 1000.00 -999 ? >LEU.A 79 46.27 50.06 41.33 45.56 49.00 39.50 45.91 49.53 40.42 3 0 1000.00 -999 ? >GLN^A 80 46.33 48.97 47.61 44.53 49.16 48.75 45.43 49.07 48.18 2 0 1000.00 -999 ? >VAL^A 81 49.19 44.82 45.23 51.27 45.50 44.79 50.23 45.16 45.01 3 0 1000.00 -999 ? >TYR.A 82 46.51 40.23 46.30 43.83 40.13 45.49 45.17 40.18 45.90 3 0 1000.00 -999 ? >HIS.A 83 51.48 43.74 50.84 51.74 45.77 50.33 51.61 44.75 50.58 3 0 1000.00 -999 ? >GLY.A 84 52.95 38.15 50.18 52.50 38.36 49.56 52.73 38.26 49.87 1 0 1000.00 -999 ? >ALA^A 85 51.72 36.92 46.80 50.23 36.89 46.64 50.98 36.91 46.72 2 0 1000.00 -999 ? >GLY^A 86 53.33 37.19 43.35 53.01 36.41 43.45 53.17 36.80 43.40 1 0 1000.00 -999 ? >TRP^A 87 51.37 38.37 38.35 48.40 35.86 38.88 49.88 37.11 38.62 3 0 1000.00 -999 ? >ALA.A 88 56.22 33.18 38.64 55.95 31.77 38.16 56.08 32.47 38.40 2 0 1000.00 -999 ? >GLN.A 89 57.04 33.64 33.71 56.15 32.73 32.00 56.60 33.18 32.85 2 0 1000.00 -999 ? >PRO~A 90 57.98 39.44 34.41 56.09 38.39 34.98 57.03 38.91 34.69 3 0 1000.00 -999 ? >ALA~A 91 52.13 39.22 33.55 51.11 40.17 34.08 51.62 39.69 33.82 2 0 1000.00 -999 ? >THR~A 92 53.11 40.14 29.99 54.28 41.93 30.14 53.69 41.04 30.06 2 0 1000.00 -999 ? >ASP~A 93 56.71 36.83 30.65 58.22 38.36 30.34 57.47 37.60 30.50 2 0 1000.00 -999 ? >MET~A 94 52.60 34.73 31.18 51.06 35.19 35.17 51.83 34.96 33.17 2 0 1000.00 -999 ? >LEU~A 95 50.01 37.65 28.34 48.36 38.22 27.05 49.19 37.93 27.69 3 0 1000.00 -999 ? >GLU~A 96 55.54 36.63 24.63 57.60 37.01 24.99 56.57 36.82 24.81 2 0 1000.00 -999 ? >ASP~A 97 54.56 31.65 28.05 56.59 32.22 28.27 55.58 31.94 28.16 2 0 1000.00 -999 ? >SER~A 98 50.19 31.39 26.75 49.26 31.86 28.86 49.73 31.62 27.81 2 0 1000.00 -999 ? >VAL~A 99 49.66 32.83 23.35 49.19 34.82 22.59 49.43 33.82 22.97 3 0 1000.00 -999 ? >VAL~A 100 52.68 31.21 21.69 54.75 31.70 21.39 53.71 31.46 21.54 3 0 1000.00 -999 ? >ARG~A 101 54.01 27.36 26.74 56.19 28.41 28.62 55.10 27.89 27.68 2 0 1000.00 -999 ? >ALA~A 102 48.45 27.91 22.37 47.33 28.74 22.90 47.89 28.32 22.63 2 0 1000.00 -999 ? >PHE~A 103 49.39 30.96 17.92 47.83 33.24 17.59 48.61 32.10 17.75 3 0 1000.00 -999 ? >GLU~A 104 54.36 26.55 19.58 55.86 26.95 21.04 55.11 26.75 20.31 2 0 1000.00 -999 ? >ASP~A 105 49.11 23.26 22.07 50.76 23.03 23.44 49.94 23.15 22.75 2 0 1000.00 -999 ? >SER.A 106 46.74 24.07 18.15 47.26 25.87 16.68 47.00 24.97 17.42 2 0 1000.00 -999 ? >GLY.A 107 47.83 22.06 15.14 47.62 22.87 15.14 47.72 22.47 15.14 1 0 1000.00 -999 ? >LYS.A 108 46.57 24.98 13.03 41.49 22.80 13.15 44.03 23.89 13.09 2 0 1000.00 -999 ? >ILE.A 109 49.74 28.26 12.88 50.19 29.44 13.43 49.96 28.85 13.15 3 0 1000.00 -999 ? >ALA.A 110 53.27 25.30 11.74 53.65 24.54 10.45 53.46 24.92 11.10 2 0 1000.00 -999 ? >ALA^A 111 55.22 28.53 12.14 55.87 29.03 10.82 55.55 28.78 11.48 2 0 1000.00 -999 ? >VAL^A 112 54.96 30.67 15.27 53.18 30.38 16.44 54.07 30.52 15.86 3 0 1000.00 -999 ? >ALA^A 113 57.92 32.39 16.77 58.97 32.45 15.70 58.45 32.42 16.24 2 0 1000.00 -999 ? >ARG.A 114 59.15 33.29 22.65 57.64 30.97 23.99 58.39 32.13 23.32 2 0 1000.00 -999 ? >ILE.A 115 61.94 38.65 19.19 61.38 39.93 19.08 61.65 39.29 19.13 3 0 1000.00 -999 ? >SER.A 121 57.47 35.81 8.93 57.52 37.73 10.46 57.49 36.77 9.69 2 0 1000.00 -999 ? >ASP.A 122 53.24 35.91 6.47 54.20 34.45 5.30 53.72 35.18 5.88 2 0 1000.00 -999 ? >TYR^A 123 49.92 37.82 8.99 48.44 37.83 6.61 49.18 37.83 7.80 3 0 1000.00 -999 ? >LYS^A 124 53.03 39.97 13.36 56.26 45.08 15.62 54.64 42.52 14.49 2 0 1000.00 -999 ? >LEU^A 125 50.23 38.39 17.01 48.47 38.09 18.23 49.35 38.24 17.62 3 0 1000.00 -999 ? >ALA^A 126 51.16 42.71 18.72 51.66 44.01 18.12 51.41 43.36 18.42 2 0 1000.00 -999 ? >ILE^A 127 49.27 41.53 22.91 48.64 40.34 23.29 48.96 40.93 23.10 3 0 1000.00 -999 ? >ASP^A 128 48.73 47.26 23.81 49.25 48.82 25.12 48.99 48.04 24.47 2 0 1000.00 -999 ? >VAL^A 129 47.89 44.90 27.88 48.47 43.16 29.01 48.18 44.03 28.45 3 0 1000.00 -999 ? >ARG^A 130 43.16 48.45 26.73 41.51 49.43 24.32 42.33 48.94 25.52 2 0 1000.00 -999 ? >ARG^A 131 41.37 47.86 33.77 38.78 46.24 33.90 40.07 47.05 33.83 2 0 1000.00 -999 ? >PHE^A 132 47.38 40.87 34.07 47.70 38.13 33.90 47.54 39.50 33.98 3 0 1000.00 -999 ? >GLU^A 133 42.53 44.82 37.24 42.28 46.93 37.09 42.40 45.87 37.17 2 0 1000.00 -999 ? >SER^A 134 41.90 41.48 40.65 41.34 40.30 42.60 41.62 40.89 41.62 2 0 1000.00 -999 ? >ASP^A 135 38.52 44.18 38.90 37.28 45.93 38.72 37.90 45.05 38.81 2 0 1000.00 -999 ? >TYR.A 136 37.32 43.84 45.50 38.66 42.18 47.30 37.99 43.01 46.40 3 0 1000.00 -999 ? >ALA.A 137 34.08 46.26 40.98 33.73 45.44 39.70 33.91 45.85 40.34 2 0 1000.00 -999 ? >GLY.A 138 32.00 47.30 44.07 32.13 46.61 43.70 32.07 46.95 43.89 1 0 1000.00 -999 ? >GLN.A 139 30.46 42.85 42.50 28.54 42.04 42.92 29.50 42.44 42.71 2 0 1000.00 -999 ? >SER.A 140 32.05 41.49 47.75 30.96 41.02 49.75 31.50 41.26 48.75 2 0 1000.00 -999 ? >LEU.A 141 33.92 37.67 45.57 33.43 36.16 47.00 33.67 36.92 46.29 3 0 1000.00 -999 ? >PRO.A 142 38.48 39.47 44.24 36.41 40.05 43.57 37.44 39.76 43.91 3 0 1000.00 -999 ? >ALA^A 143 36.99 39.33 39.34 35.96 39.82 38.35 36.47 39.58 38.84 2 0 1000.00 -999 ? >ALA^A 144 40.31 38.42 37.71 40.96 37.08 37.65 40.64 37.75 37.68 2 0 1000.00 -999 ? >THR^A 145 40.32 40.84 34.84 38.98 42.52 35.12 39.65 41.68 34.98 2 0 1000.00 -999 ? >ILE^A 146 43.04 39.73 31.15 44.21 38.85 31.09 43.63 39.29 31.12 3 0 1000.00 -999 ? >GLU^A 147 40.99 46.00 28.43 39.93 47.78 29.01 40.46 46.89 28.72 2 0 1000.00 -999 ? >LEU^A 148 45.07 42.73 26.18 44.82 40.65 25.41 44.94 41.69 25.79 3 0 1000.00 -999 ? >ASN^A 149 44.35 46.58 22.24 43.95 47.15 20.24 44.15 46.87 21.24 2 0 1000.00 -999 ? >ALA^A 150 45.77 42.99 19.62 45.39 41.52 19.44 45.58 42.25 19.53 2 0 1000.00 -999 ? >LYS^A 151 46.87 44.29 16.30 46.87 49.38 18.01 46.87 46.83 17.16 2 0 1000.00 -999 ? >LEU^A 152 46.66 40.86 13.02 47.31 38.95 12.21 46.99 39.90 12.61 3 0 1000.00 -999 ? >LEU^A 153 51.27 44.27 11.59 51.16 46.26 12.49 51.21 45.26 12.04 3 0 1000.00 -999 ? >HIS^A 154 50.74 41.72 5.17 51.32 40.67 3.44 51.03 41.19 4.31 3 0 1000.00 -999 ? >SER.A 155 55.00 42.36 8.05 55.35 40.28 9.28 55.18 41.32 8.66 2 0 1000.00 -999 ? >SER.A 156 55.66 43.64 4.48 55.94 42.11 2.71 55.80 42.88 3.59 2 0 1000.00 -999 ? >ASP.A 157 52.26 46.95 3.59 51.75 45.24 2.45 52.01 46.09 3.02 2 0 1000.00 -999 ? >GLN.A 158 55.95 48.03 8.84 57.46 49.56 9.22 56.71 48.80 9.03 2 0 1000.00 -999 ? >ARG^A 159 47.81 46.26 4.01 46.85 43.39 4.48 47.33 44.82 4.24 2 0 1000.00 -999 ? >VAL^A 160 47.32 47.00 9.91 46.94 48.26 11.58 47.13 47.63 10.75 3 0 1000.00 -999 ? >VAL^A 161 45.15 44.04 9.03 45.50 42.00 8.46 45.32 43.02 8.75 3 0 1000.00 -999 ? >ALA^A 162 42.80 44.52 12.01 41.80 43.41 11.94 42.30 43.96 11.98 2 0 1000.00 -999 ? >SER^A 163 42.69 45.39 15.67 43.70 47.19 16.92 43.19 46.29 16.29 2 0 1000.00 -999 ? >ARG^A 164 38.16 41.15 18.66 36.31 39.71 16.71 37.24 40.43 17.69 2 0 1000.00 -999 ? >THR^A 165 39.98 44.81 22.19 39.76 46.63 23.28 39.87 45.72 22.74 2 0 1000.00 -999 ? >PHE^A 166 40.41 39.98 22.67 40.53 39.07 20.03 40.47 39.53 21.35 3 0 1000.00 -999 ? >THR^A 167 38.12 41.97 27.89 37.28 43.89 28.61 37.70 42.93 28.25 2 0 1000.00 -999 ? >VAL^A 168 37.68 38.98 30.13 38.14 36.97 29.51 37.91 37.98 29.82 3 0 1000.00 -999 ? >ALA^A 169 36.50 39.00 33.78 35.72 40.24 34.26 36.11 39.62 34.02 2 0 1000.00 -999 ? >ARG^A 170 35.66 33.80 33.25 35.97 30.77 32.78 35.81 32.28 33.02 2 0 1000.00 -999 ? >PRO^A 171 32.77 34.68 38.43 34.71 35.81 38.60 33.74 35.25 38.51 3 0 1000.00 -999 ? >SER.A 172 36.83 34.49 42.01 38.48 34.65 43.73 37.66 34.57 42.87 2 0 1000.00 -999 ? >SER.A 173 35.23 32.29 44.62 36.02 30.02 44.10 35.62 31.15 44.36 2 0 1000.00 -999 ? >SER.A 174 36.83 33.79 47.72 38.65 32.67 48.82 37.74 33.23 48.27 2 0 1000.00 -999 ? >THR.A 175 39.08 36.75 48.59 38.03 37.89 50.12 38.55 37.32 49.36 2 0 1000.00 -999 ? >ASP~A 176 42.46 33.17 49.90 40.95 32.38 51.28 41.71 32.78 50.59 2 0 1000.00 -999 ? >THR~A 177 44.99 35.10 46.78 46.77 35.84 47.77 45.88 35.47 47.27 2 0 1000.00 -999 ? >ALA~A 178 44.79 31.35 45.88 44.87 30.14 46.78 44.83 30.74 46.33 2 0 1000.00 -999 ? >ALA~A 179 41.16 31.82 44.74 39.92 32.20 45.63 40.54 32.01 45.19 2 0 1000.00 -999 ? >VAL~A 180 42.22 34.92 42.82 42.58 37.00 43.42 42.40 35.96 43.12 3 0 1000.00 -999 ? >ALA~A 181 45.03 33.10 41.02 46.20 32.50 41.72 45.61 32.80 41.37 2 0 1000.00 -999 ? >ALA~A 182 42.64 30.30 40.10 41.82 29.52 41.06 42.23 29.91 40.58 2 0 1000.00 -999 ? >ALA~A 183 40.35 32.90 38.54 39.58 34.01 39.26 39.97 33.46 38.90 2 0 1000.00 -999 ? >PHE~A 184 44.53 36.40 37.57 44.58 39.19 38.02 44.55 37.79 37.79 3 0 1000.00 -999 ? >GLU~A 185 45.07 28.64 35.23 45.05 26.77 36.16 45.06 27.70 35.69 2 0 1000.00 -999 ? >GLN~A 186 38.88 29.65 35.53 37.65 30.10 37.26 38.26 29.87 36.40 2 0 1000.00 -999 ? >ALA~A 187 40.78 34.53 32.47 40.94 35.78 33.27 40.86 35.16 32.87 2 0 1000.00 -999 ? >LEU~A 188 45.35 33.17 31.61 47.24 34.08 31.86 46.29 33.62 31.74 3 0 1000.00 -999 ? >THR~A 189 42.79 30.61 29.32 42.62 28.54 29.93 42.70 29.57 29.63 2 0 1000.00 -999 ? >GLN~A 190 37.41 33.46 27.89 35.71 34.26 28.94 36.56 33.86 28.41 2 0 1000.00 -999 ? >VAL~A 191 41.48 35.51 26.52 42.71 37.36 27.02 42.09 36.43 26.77 3 0 1000.00 -999 ? >THR~A 192 44.24 33.39 24.93 46.05 32.41 25.71 45.14 32.90 25.32 2 0 1000.00 -999 ? >THR~A 193 41.53 31.22 23.31 40.33 29.55 23.98 40.93 30.38 23.65 2 0 1000.00 -999 ? >GLU~A 194 37.81 34.90 23.31 36.83 36.32 24.67 37.32 35.61 23.99 2 0 1000.00 -999 ? >LEU~A 195 44.45 35.94 21.51 45.11 37.78 22.23 44.78 36.86 21.87 3 0 1000.00 -999 ? >VAL~A 196 44.45 32.58 18.92 45.38 30.74 19.53 44.92 31.66 19.23 3 0 1000.00 -999 ? >GLY~A 197 41.16 32.07 17.10 41.58 32.83 17.15 41.37 32.45 17.13 1 0 1000.00 -999 ? >TRP~A 198 39.51 38.71 15.79 42.93 40.69 15.76 41.22 39.70 15.77 3 0 1000.00 -999 ? >THR~A 199 44.51 35.67 14.81 46.38 35.92 15.85 45.45 35.79 15.33 2 0 1000.00 -999 ? >LEU~A 200 43.76 31.17 13.19 45.28 29.91 13.97 44.52 30.54 13.58 3 0 1000.00 -999 ? >ILE~A 201 39.35 33.65 11.95 38.06 33.20 12.16 38.71 33.42 12.05 3 0 1000.00 -999 ? >THR~A 202 41.67 37.29 10.63 41.45 39.08 11.81 41.56 38.19 11.22 2 0 1000.00 -999 ? >GLY~A 203 45.07 36.27 9.28 44.31 36.06 9.04 44.69 36.17 9.16 1 0 1000.00 -999 ? >GLN~A 204 42.51 31.46 6.35 44.15 30.74 5.17 43.33 31.10 5.76 2 0 1000.00 -999 ? >GLN~A 205 38.56 35.68 6.49 36.97 36.08 7.90 37.77 35.88 7.20 2 0 1000.00 -999 ? >ASP~A 206 44.51 39.35 5.81 45.79 40.76 4.84 45.15 40.06 5.32 2 0 1000.00 -999 ? >SER~A 207 45.86 36.06 3.27 46.38 33.73 3.04 46.12 34.90 3.16 2 0 1000.00 -999 ? >GLN~A 208 42.29 32.96 1.67 40.67 31.72 2.35 41.48 32.34 2.01 2 0 1000.00 -999 ? >THR.A 209 43.20 38.61 -0.84 42.13 39.85 0.75 42.66 39.23 -0.05 2 0 1000.00 -999 ? >THR.B 33 74.23 21.05 47.85 73.36 19.26 48.73 73.80 20.16 48.29 2 0 1000.00 -999 ? >ILE^B 34 76.13 21.44 43.52 75.54 22.66 42.99 75.84 22.05 43.25 3 0 1000.00 -999 ? >TYR^B 35 71.33 17.33 43.40 70.80 16.64 46.03 71.06 16.99 44.71 3 0 1000.00 -999 ? >ALA.B 36 74.92 17.12 38.70 76.45 17.25 38.79 75.68 17.18 38.75 2 0 1000.00 -999 ? >PRO.B 37 71.10 16.02 37.08 73.12 15.17 37.10 72.11 15.59 37.09 3 0 1000.00 -999 ? >THR.B 38 74.64 12.41 34.22 76.60 11.50 34.52 75.62 11.95 34.37 2 0 1000.00 -999 ? >VAL.B 39 72.78 11.69 31.00 71.03 12.86 30.39 71.91 12.27 30.69 3 0 1000.00 -999 ? >ARG.B 40 77.74 8.24 29.82 79.84 9.74 31.60 78.79 8.99 30.71 2 0 1000.00 -999 ? >VAL.B 41 71.83 8.03 25.74 70.34 9.25 24.70 71.09 8.64 25.22 3 0 1000.00 -999 ? >THR.B 42 72.42 4.60 24.18 72.35 2.66 25.15 72.38 3.63 24.66 2 0 1000.00 -999 ? >PRO.B 43 74.45 4.89 20.33 72.32 4.85 21.10 73.39 4.87 20.72 3 0 1000.00 -999 ? >ASN.B 44 67.61 3.87 18.78 66.07 2.56 18.11 66.84 3.21 18.44 2 0 1000.00 -999 ? >PRO.B 45 70.21 -0.82 17.65 69.91 1.19 16.64 70.06 0.18 17.14 3 0 1000.00 -999 ? >ALA.B 46 66.91 1.87 14.01 65.48 1.59 14.47 66.20 1.73 14.24 2 0 1000.00 -999 ? >TRP.B 47 66.53 6.44 16.48 68.63 7.75 19.52 67.58 7.09 18.00 3 0 1000.00 -999 ? >PRO.B 48 67.40 8.46 10.73 68.67 6.66 11.09 68.03 7.56 10.91 3 0 1000.00 -999 ? >GLN.B 49 75.06 6.76 8.81 76.40 7.40 10.34 75.73 7.08 9.57 2 0 1000.00 -999 ? >VAL.B 50 72.61 10.87 8.40 71.24 11.82 9.89 71.93 11.35 9.15 3 0 1000.00 -999 ? >SER.B 51 75.01 13.09 6.50 74.62 13.22 4.09 74.82 13.15 5.29 2 0 1000.00 -999 ? >TRP.B 52 70.44 14.87 6.92 69.44 15.56 10.67 69.94 15.22 8.80 3 0 1000.00 -999 ? >GLN.B 53 76.99 19.57 8.63 78.40 21.16 8.39 77.70 20.36 8.51 2 0 1000.00 -999 ? >LEU^B 54 72.12 18.87 13.60 70.34 18.95 14.83 71.23 18.91 14.21 3 0 1000.00 -999 ? >LEU^B 55 72.65 24.57 14.23 73.07 26.47 15.23 72.86 25.52 14.73 3 0 1000.00 -999 ? >VAL^B 56 71.48 22.85 18.36 71.28 21.25 19.76 71.38 22.05 19.06 3 0 1000.00 -999 ? >ALA.B 57 70.12 26.23 19.49 68.87 26.85 18.92 69.49 26.54 19.20 2 0 1000.00 -999 ? >LYS.B 58 70.19 27.64 23.02 74.33 31.52 25.67 72.26 29.58 24.34 2 0 1000.00 -999 ? >PRO.B 59 68.25 24.48 25.05 67.66 26.50 24.36 67.96 25.49 24.71 3 0 1000.00 -999 ? >SER.B 60 64.60 29.10 25.86 62.93 29.34 24.12 63.76 29.22 24.99 2 0 1000.00 -999 ? >ALA.B 61 62.63 29.33 29.11 63.43 28.32 29.89 63.03 28.82 29.50 2 0 1000.00 -999 ? >ALA.B 62 61.18 31.66 31.76 59.91 31.46 32.56 60.55 31.56 32.16 2 0 1000.00 -999 ? >ARG.B 63 64.66 36.86 34.14 65.35 39.78 33.20 65.00 38.32 33.67 2 0 1000.00 -999 ? >ILE.B 64 61.05 30.75 37.38 60.02 30.58 38.15 60.53 30.66 37.77 3 0 1000.00 -999 ? >ILE.B 65 62.73 27.01 33.66 61.96 25.96 32.88 62.34 26.48 33.27 3 0 1000.00 -999 ? >ASP.B 66 66.58 29.86 32.23 68.48 30.16 31.36 67.53 30.01 31.80 2 0 1000.00 -999 ? >SER.B 67 68.17 28.99 36.81 67.40 29.43 39.05 67.78 29.21 37.93 2 0 1000.00 -999 ? >PRO.B 68 71.51 28.66 39.66 70.04 27.26 38.65 70.77 27.96 39.16 3 0 1000.00 -999 ? >ARG.B 69 67.97 28.59 43.61 67.82 28.48 46.71 67.89 28.54 45.16 2 0 1000.00 -999 ? >ILE.B 70 65.77 22.19 42.31 66.46 20.81 42.13 66.12 21.50 42.22 3 0 1000.00 -999 ? >ASN^B 71 60.99 24.50 39.65 62.05 26.00 38.54 61.52 25.25 39.10 2 0 1000.00 -999 ? >VAL^B 72 58.95 22.27 43.00 59.05 21.73 45.14 59.00 22.00 44.07 3 0 1000.00 -999 ? >ARG^B 73 52.82 22.46 39.52 53.17 25.11 37.92 53.00 23.79 38.72 2 0 1000.00 -999 ? >PRO.B 74 54.97 23.38 46.87 54.13 21.69 45.62 54.55 22.54 46.24 3 0 1000.00 -999 ? >THR.B 75 50.18 22.02 45.27 49.42 23.25 46.87 49.80 22.63 46.07 2 0 1000.00 -999 ? >PRO.B 76 47.21 20.87 42.26 48.91 22.30 42.39 48.06 21.58 42.33 3 0 1000.00 -999 ? >GLY.B 77 48.75 26.30 41.58 49.32 26.00 41.97 49.04 26.15 41.77 1 0 1000.00 -999 ? >GLU.B 78 50.85 27.85 45.43 50.89 27.75 47.55 50.87 27.80 46.49 2 0 1000.00 -999 ? >LEU.B 79 56.48 27.73 41.48 56.81 26.57 39.66 56.64 27.15 40.57 3 0 1000.00 -999 ? >GLN^B 80 57.07 26.95 47.34 56.46 25.81 49.01 56.77 26.38 48.18 2 0 1000.00 -999 ? >VAL^B 81 62.23 25.95 45.17 63.16 27.92 44.64 62.69 26.94 44.91 3 0 1000.00 -999 ? >TYR.B 82 63.68 20.97 46.41 61.87 19.05 45.59 62.78 20.01 46.00 3 0 1000.00 -999 ? >HIS.B 83 64.54 26.91 50.75 63.01 28.28 50.26 63.77 27.60 50.51 3 0 1000.00 -999 ? >GLY.B 84 69.79 24.59 50.12 69.29 24.31 49.53 69.54 24.45 49.82 1 0 1000.00 -999 ? >ALA.B 85 69.86 22.63 46.84 68.83 21.51 46.90 69.34 22.07 46.87 2 0 1000.00 -999 ? >GLY^B 86 70.76 23.48 43.26 70.98 22.69 43.39 70.87 23.09 43.33 1 0 1000.00 -999 ? >TRP^B 87 68.39 22.68 38.30 68.06 18.83 39.04 68.23 20.75 38.67 3 0 1000.00 -999 ? >ALA.B 88 75.40 22.30 38.62 76.16 21.14 38.04 75.78 21.72 38.33 2 0 1000.00 -999 ? >GLN.B 89 74.97 23.54 33.18 75.76 21.98 31.90 75.36 22.76 32.54 2 0 1000.00 -999 ? >PRO~B 90 72.47 27.77 33.91 71.69 25.89 34.91 72.08 26.83 34.41 3 0 1000.00 -999 ? >ALA~B 91 68.24 23.65 33.51 66.81 23.61 33.99 67.53 23.63 33.75 2 0 1000.00 -999 ? >THR~B 92 68.31 25.11 30.00 67.68 27.16 30.03 67.99 26.13 30.02 2 0 1000.00 -999 ? >ASP~B 93 73.20 25.18 30.61 73.34 27.27 30.15 73.27 26.23 30.38 2 0 1000.00 -999 ? >MET~B 94 71.69 20.92 31.23 70.66 20.00 35.11 71.18 20.46 33.17 2 0 1000.00 -999 ? >LEU~B 95 67.88 21.15 28.33 66.19 19.97 28.01 67.03 20.56 28.17 3 0 1000.00 -999 ? >GLU~B 96 72.47 23.79 24.46 73.76 25.50 24.54 73.12 24.64 24.50 2 0 1000.00 -999 ? >ASP~B 97 75.26 19.89 28.25 76.65 21.54 28.14 75.95 20.71 28.19 2 0 1000.00 -999 ? >SER~B 98 72.43 16.49 27.29 71.58 16.11 29.47 72.01 16.30 28.38 2 0 1000.00 -999 ? >VAL~B 99 71.10 16.96 23.80 69.29 17.94 22.95 70.19 17.45 23.38 3 0 1000.00 -999 ? >VAL~B 100 74.25 17.98 21.84 75.39 19.81 21.47 74.82 18.90 21.66 3 0 1000.00 -999 ? >ARG~B 101 77.62 16.71 26.86 78.83 18.82 28.72 78.23 17.76 27.79 2 0 1000.00 -999 ? >ALA~B 102 73.64 12.54 22.86 72.22 12.52 23.29 72.93 12.53 23.08 2 0 1000.00 -999 ? >PHE~B 103 72.25 15.13 18.28 69.60 15.85 17.92 70.93 15.49 18.10 3 0 1000.00 -999 ? >GLU~B 104 78.93 15.46 19.73 79.19 17.19 20.94 79.06 16.33 20.33 2 0 1000.00 -999 ? >ASP~B 105 77.26 9.59 22.93 78.31 10.88 24.32 77.79 10.24 23.63 2 0 1000.00 -999 ? >SER~B 106 75.09 8.35 18.90 74.26 9.82 17.18 74.67 9.09 18.04 2 0 1000.00 -999 ? >GLY~B 107 77.30 7.74 15.89 76.50 8.02 15.87 76.90 7.88 15.88 1 0 1000.00 -999 ? >LYS.B 108 74.40 8.71 13.62 72.79 3.61 13.44 73.59 6.16 13.53 2 0 1000.00 -999 ? >ILE.B 109 74.54 13.28 13.46 73.99 14.45 13.90 74.26 13.87 13.68 3 0 1000.00 -999 ? >ALA.B 110 79.17 13.25 12.18 79.73 12.91 10.79 79.45 13.08 11.48 2 0 1000.00 -999 ? >ALA.B 111 78.44 17.03 12.49 78.63 17.81 11.22 78.54 17.42 11.86 2 0 1000.00 -999 ? >VAL^B 112 76.68 18.60 15.53 75.49 17.19 16.69 76.09 17.89 16.11 3 0 1000.00 -999 ? >ALA^B 113 77.22 22.17 16.69 77.62 22.96 15.42 77.42 22.56 16.05 2 0 1000.00 -999 ? >ARG.B 114 78.07 23.59 21.86 76.99 22.27 24.46 77.53 22.93 23.16 2 0 1000.00 -999 ? >SER.B 121 74.64 23.97 9.22 72.91 24.85 10.66 73.78 24.41 9.94 2 0 1000.00 -999 ? >ASP.B 122 71.78 20.83 6.81 73.63 20.47 5.87 72.71 20.65 6.34 2 0 1000.00 -999 ? >TYR^B 123 67.67 20.04 9.07 66.67 18.80 6.75 67.17 19.42 7.91 3 0 1000.00 -999 ? >LYS^B 124 68.46 23.94 13.41 67.96 30.02 14.86 68.21 26.98 14.14 2 0 1000.00 -999 ? >LEU^B 125 67.35 20.95 17.13 66.13 19.69 18.47 66.74 20.32 17.80 3 0 1000.00 -999 ? >ALA^B 126 65.15 24.87 18.68 64.74 26.18 18.08 64.94 25.52 18.38 2 0 1000.00 -999 ? >ILE^B 127 64.61 22.91 22.90 65.07 21.69 23.41 64.84 22.30 23.15 3 0 1000.00 -999 ? >ASP^B 128 60.23 26.70 23.83 59.71 28.36 25.08 59.97 27.53 24.45 2 0 1000.00 -999 ? >VAL^B 129 61.22 24.54 27.88 62.97 23.69 28.93 62.10 24.11 28.40 3 0 1000.00 -999 ? >ARG^B 130 55.32 23.66 26.61 53.29 23.64 24.32 54.31 23.65 25.46 2 0 1000.00 -999 ? >ARG^B 131 54.67 21.82 33.40 53.41 19.01 33.43 54.04 20.41 33.41 2 0 1000.00 -999 ? >PHE^B 132 63.64 21.40 33.96 65.84 19.69 33.83 64.74 20.54 33.89 3 0 1000.00 -999 ? >GLU^B 133 57.46 21.08 37.67 56.18 22.60 36.90 56.82 21.84 37.29 2 0 1000.00 -999 ? >SER^B 134 59.42 18.35 40.81 59.74 17.54 43.06 59.58 17.94 41.93 2 0 1000.00 -999 ? >ASP^B 135 55.10 17.73 39.16 53.02 18.21 38.95 54.06 17.97 39.06 2 0 1000.00 -999 ? >TYR.B 136 54.41 16.95 45.79 56.52 16.69 47.59 55.47 16.82 46.69 3 0 1000.00 -999 ? >ALA.B 137 50.43 16.50 41.23 50.88 15.70 39.98 50.65 16.10 40.60 2 0 1000.00 -999 ? >GLY.B 138 48.34 15.44 44.27 49.11 15.21 44.24 48.72 15.32 44.26 1 0 1000.00 -999 ? >GLN.B 139 50.92 11.26 42.78 49.63 9.58 43.01 50.28 10.42 42.90 2 0 1000.00 -999 ? >SER.B 140 52.55 12.00 48.31 52.58 9.68 48.85 52.56 10.84 48.58 2 0 1000.00 -999 ? >LEU.B 141 56.20 10.06 45.99 57.37 8.85 47.42 56.78 9.46 46.71 3 0 1000.00 -999 ? >PRO.B 142 58.48 14.57 44.69 56.62 13.59 44.00 57.55 14.08 44.35 3 0 1000.00 -999 ? >ALA^B 143 57.52 13.22 39.75 56.52 12.67 38.74 57.02 12.94 39.24 2 0 1000.00 -999 ? >ALA^B 144 60.40 15.00 38.06 61.81 14.51 37.99 61.10 14.76 38.03 2 0 1000.00 -999 ? >THR^B 145 58.73 16.72 35.18 56.58 16.78 35.23 57.65 16.75 35.20 2 0 1000.00 -999 ? >ILE^B 146 61.39 17.45 31.36 62.68 17.25 31.17 62.03 17.35 31.26 3 0 1000.00 -999 ? >GLU^B 147 55.44 20.32 28.39 53.65 21.38 28.99 54.54 20.85 28.69 2 0 1000.00 -999 ? >LEU^B 148 60.77 20.91 26.06 62.07 19.37 25.27 61.42 20.14 25.66 3 0 1000.00 -999 ? >ASN^B 149 57.52 23.18 22.35 57.21 23.63 20.32 57.36 23.41 21.34 2 0 1000.00 -999 ? >ALA^B 150 60.91 21.33 19.65 61.68 19.99 19.63 61.30 20.66 19.64 2 0 1000.00 -999 ? >LYS^B 151 61.15 22.98 16.25 57.94 27.13 17.99 59.55 25.06 17.12 2 0 1000.00 -999 ? >LEU^B 152 63.43 20.10 13.21 65.23 19.12 12.53 64.33 19.61 12.87 3 0 1000.00 -999 ? >LEU^B 153 64.50 25.75 11.42 63.34 27.08 12.66 63.92 26.42 12.04 3 0 1000.00 -999 ? >HIS^B 154 66.14 23.48 5.24 67.35 23.17 3.56 66.75 23.32 4.40 3 0 1000.00 -999 ? >SER.B 155 68.74 26.78 8.08 70.43 26.19 9.76 69.58 26.48 8.92 2 0 1000.00 -999 ? >SER.B 156 68.79 28.49 4.61 68.50 26.59 3.05 68.65 27.54 3.83 2 0 1000.00 -999 ? >ASP.B 157 64.09 27.62 4.07 63.99 27.04 2.08 64.04 27.33 3.07 2 0 1000.00 -999 ? >GLN.B 158 65.76 31.51 8.45 65.96 33.67 8.46 65.86 32.59 8.46 2 0 1000.00 -999 ? >ARG^B 159 60.68 24.67 3.91 61.91 21.85 4.37 61.29 23.26 4.14 2 0 1000.00 -999 ? >VAL^B 160 59.76 24.95 9.84 58.71 25.62 11.67 59.24 25.28 10.75 3 0 1000.00 -999 ? >VAL^B 161 60.07 21.26 8.99 61.83 19.98 8.50 60.95 20.62 8.74 3 0 1000.00 -999 ? >ALA^B 162 58.01 20.01 12.00 58.15 18.47 11.98 58.08 19.24 11.99 2 0 1000.00 -999 ? >SER^B 163 57.08 20.55 15.64 56.69 22.89 15.63 56.88 21.72 15.63 2 0 1000.00 -999 ? >ARG^B 164 56.97 14.56 19.19 56.82 11.88 17.73 56.89 13.22 18.46 2 0 1000.00 -999 ? >THR^B 165 55.78 18.65 22.25 54.51 20.09 23.26 55.14 19.37 22.76 2 0 1000.00 -999 ? >PHE^B 166 59.42 15.70 22.92 60.22 15.25 20.28 59.82 15.47 21.60 3 0 1000.00 -999 ? >THR^B 167 56.45 15.56 28.12 54.56 16.39 28.88 55.50 15.98 28.50 2 0 1000.00 -999 ? >VAL^B 168 58.16 13.16 30.49 60.02 12.32 29.69 59.09 12.74 30.09 3 0 1000.00 -999 ? >ALA^B 169 57.37 12.58 34.18 55.95 12.83 34.62 56.66 12.70 34.40 2 0 1000.00 -999 ? >ARG^B 170 60.85 8.06 34.70 60.48 6.68 31.98 60.67 7.37 33.34 2 0 1000.00 -999 ? >PRO^B 171 57.74 7.37 38.96 58.46 9.49 39.17 58.10 8.43 39.07 3 0 1000.00 -999 ? >SER.B 172 60.83 10.15 42.66 61.65 11.29 44.57 61.24 10.72 43.62 2 0 1000.00 -999 ? >SER.B 173 61.32 7.18 44.89 63.56 6.45 45.45 62.44 6.82 45.17 2 0 1000.00 -999 ? >SER.B 174 61.40 9.35 47.99 63.26 10.01 49.48 62.33 9.68 48.74 2 0 1000.00 -999 ? >THR.B 175 60.69 12.97 49.05 59.87 13.81 50.93 60.28 13.39 49.99 2 0 1000.00 -999 ? >ASP~B 176 65.49 12.73 49.78 65.37 12.01 51.71 65.43 12.37 50.75 2 0 1000.00 -999 ? >THR~B 177 66.17 16.18 47.06 66.81 17.96 48.00 66.49 17.07 47.53 2 0 1000.00 -999 ? >ALA~B 178 68.81 13.48 46.31 69.61 12.67 47.32 69.21 13.08 46.82 2 0 1000.00 -999 ? >ALA~B 179 65.92 11.17 45.26 64.88 10.59 46.18 65.40 10.88 45.72 2 0 1000.00 -999 ? >VAL~B 180 64.31 13.84 43.08 62.96 15.50 43.61 63.63 14.67 43.35 3 0 1000.00 -999 ? >ALA~B 181 67.59 14.76 41.41 68.82 15.28 42.08 68.20 15.02 41.74 2 0 1000.00 -999 ? >ALA~B 182 67.86 11.00 40.63 67.76 9.83 41.64 67.81 10.42 41.14 2 0 1000.00 -999 ? >ALA~B 183 64.42 11.17 38.99 63.09 11.35 39.71 63.75 11.26 39.35 2 0 1000.00 -999 ? >PHE~B 184 64.86 16.56 37.84 62.86 18.39 38.30 63.86 17.48 38.07 3 0 1000.00 -999 ? >GLU~B 185 70.46 10.95 35.51 72.04 10.37 36.74 71.25 10.66 36.13 2 0 1000.00 -999 ? >GLN~B 186 65.94 7.44 35.89 64.65 6.49 37.38 65.30 6.97 36.64 2 0 1000.00 -999 ? >ALA~B 187 63.57 12.08 32.89 62.81 13.03 33.74 63.19 12.55 33.32 2 0 1000.00 -999 ? >LEU~B 188 67.54 14.69 31.80 68.30 16.62 31.98 67.92 15.65 31.89 3 0 1000.00 -999 ? >THR~B 189 67.59 10.81 29.69 68.90 9.23 30.37 68.24 10.02 30.03 2 0 1000.00 -999 ? >GLN~B 190 61.96 8.57 28.22 60.01 8.39 29.14 60.99 8.48 28.68 2 0 1000.00 -999 ? >VAL~B 191 63.37 13.39 26.92 63.13 15.53 27.38 63.25 14.46 27.15 3 0 1000.00 -999 ? >THR~B 192 66.81 13.58 25.33 68.70 14.26 26.09 67.75 13.92 25.71 2 0 1000.00 -999 ? >THR~B 193 66.45 10.11 23.85 66.57 8.07 24.54 66.51 9.09 24.20 2 0 1000.00 -999 ? >GLU~B 194 61.07 10.13 23.83 59.50 10.57 25.26 60.29 10.35 24.55 2 0 1000.00 -999 ? >LEU~B 195 65.00 15.45 21.78 64.15 17.41 22.08 64.57 16.43 21.93 3 0 1000.00 -999 ? >VAL~B 196 67.46 12.69 19.28 69.51 12.22 19.88 68.49 12.46 19.58 3 0 1000.00 -999 ? >GLY~B 197 65.29 9.93 17.81 65.31 10.75 17.73 65.30 10.34 17.77 1 0 1000.00 -999 ? >TRP~B 198 59.62 14.01 16.03 60.93 17.71 15.98 60.28 15.86 16.00 3 0 1000.00 -999 ? >THR~B 199 65.37 14.97 15.13 66.75 16.47 15.86 66.06 15.72 15.49 2 0 1000.00 -999 ? >LEU~B 200 67.95 11.03 13.88 70.04 11.03 14.58 68.99 11.03 14.23 3 0 1000.00 -999 ? >ILE~B 201 63.02 9.88 12.45 62.25 8.60 12.61 62.63 9.24 12.53 3 0 1000.00 -999 ? >THR~B 202 62.37 13.98 10.94 60.99 15.25 12.03 61.68 14.61 11.49 2 0 1000.00 -999 ? >GLY~B 203 65.38 15.74 9.42 65.09 14.99 9.25 65.24 15.36 9.34 1 0 1000.00 -999 ? >GLN~B 204 67.44 10.40 6.90 69.19 11.39 6.14 68.31 10.90 6.52 2 0 1000.00 -999 ? >GLN~B 205 61.18 10.97 7.46 59.39 10.76 8.65 60.28 10.86 8.05 2 0 1000.00 -999 ? >ASP~B 206 62.86 17.31 5.86 62.73 19.20 4.91 62.80 18.25 5.39 2 0 1000.00 -999 ? >SER~B 207 66.34 15.96 3.11 67.84 14.21 3.82 67.09 15.08 3.47 2 0 1000.00 -999 ? >GLN~B 208 65.71 11.01 1.83 65.04 9.16 2.76 65.38 10.08 2.29 2 0 1000.00 -999 ? >THR.B 209 63.26 16.15 -1.18 61.61 16.69 0.30 62.44 16.42 -0.44 2 0 1000.00 -999 ? >THR.C 33 96.67 27.30 47.80 97.57 25.43 48.58 97.12 26.37 48.19 2 0 1000.00 -999 ? >ILE^C 34 97.42 29.03 43.51 96.23 29.83 43.08 96.82 29.43 43.29 3 0 1000.00 -999 ? >TYR^C 35 97.20 22.63 43.47 97.20 21.75 46.10 97.20 22.19 44.78 3 0 1000.00 -999 ? >ALA.C 36 99.86 25.05 38.76 100.80 26.21 39.00 100.33 25.63 38.88 2 0 1000.00 -999 ? >PRO.C 37 98.06 21.58 37.10 100.12 22.42 37.18 99.09 22.00 37.14 3 0 1000.00 -999 ? >THR.C 38 103.18 21.56 34.29 105.27 22.19 34.44 104.22 21.87 34.36 2 0 1000.00 -999 ? >VAL.C 39 102.02 19.88 31.10 99.93 19.60 30.55 100.98 19.74 30.82 3 0 1000.00 -999 ? >ARG.C 40 107.14 21.01 30.00 107.96 23.84 30.94 107.55 22.43 30.47 2 0 1000.00 -999 ? >VAL.C 41 104.07 16.77 25.88 102.15 16.57 24.90 103.11 16.67 25.39 3 0 1000.00 -999 ? >THR.C 42 106.63 14.47 24.27 107.88 12.97 25.18 107.26 13.72 24.72 2 0 1000.00 -999 ? >PRO.C 43 107.82 16.19 20.44 106.46 14.51 21.13 107.14 15.35 20.79 3 0 1000.00 -999 ? >ASN.C 44 104.36 10.14 18.73 104.52 8.27 17.67 104.44 9.20 18.20 2 0 1000.00 -999 ? >PRO.C 45 109.68 10.12 17.37 107.72 10.76 16.51 108.70 10.44 16.94 3 0 1000.00 -999 ? >ALA.C 46 105.28 8.77 14.04 104.56 7.55 14.64 104.92 8.16 14.34 2 0 1000.00 -999 ? >TRP.C 47 101.36 11.52 16.32 102.14 13.70 19.48 101.75 12.61 17.90 3 0 1000.00 -999 ? >PRO.C 48 100.97 13.62 10.42 103.11 13.32 11.05 102.04 13.47 10.73 3 0 1000.00 -999 ? >GLN.C 49 107.06 18.57 9.85 109.18 18.50 9.99 108.12 18.53 9.92 2 0 1000.00 -999 ? >VAL.C 50 102.37 19.17 8.40 100.70 18.83 9.83 101.54 19.00 9.11 3 0 1000.00 -999 ? >SER.C 51 102.27 22.07 6.05 102.55 22.74 3.73 102.41 22.40 4.89 2 0 1000.00 -999 ? >TRP.C 52 97.99 20.14 7.05 96.79 19.85 10.81 97.39 20.00 8.93 3 0 1000.00 -999 ? >GLN.C 53 99.28 28.01 8.49 99.64 30.15 8.56 99.46 29.08 8.53 2 0 1000.00 -999 ? >LEU^C 54 96.38 24.08 13.71 95.14 22.56 14.71 95.76 23.32 14.21 3 0 1000.00 -999 ? >LEU^C 55 92.53 28.34 14.33 91.40 29.94 15.45 91.96 29.14 14.89 3 0 1000.00 -999 ? >VAL^C 56 92.97 26.12 18.44 94.20 24.92 19.89 93.59 25.52 19.16 3 0 1000.00 -999 ? >ALA.C 57 89.61 27.63 19.45 88.29 27.13 18.94 88.95 27.38 19.20 2 0 1000.00 -999 ? >LYS.C 58 88.70 28.55 23.03 89.51 34.63 23.63 89.10 31.59 23.33 2 0 1000.00 -999 ? >PRO.C 59 89.65 25.00 25.40 87.87 25.93 24.51 88.76 25.46 24.95 3 0 1000.00 -999 ? >SER.C 60 83.86 25.52 26.04 82.58 24.25 24.41 83.22 24.88 25.22 2 0 1000.00 -999 ? >ALA.C 61 82.39 24.24 29.30 83.57 23.72 30.13 82.98 23.98 29.72 2 0 1000.00 -999 ? >ALA.C 62 79.81 24.86 32.04 79.15 23.76 32.89 79.48 24.31 32.47 2 0 1000.00 -999 ? >ARG.C 63 78.15 30.83 34.38 76.75 33.52 33.68 77.45 32.17 34.03 2 0 1000.00 -999 ? >ILE.C 64 80.50 24.25 37.67 80.10 22.98 38.40 80.30 23.61 38.04 3 0 1000.00 -999 ? >ILE.C 65 84.25 22.90 33.80 84.41 21.64 33.10 84.33 22.27 33.45 3 0 1000.00 -999 ? >ASP.C 66 84.49 27.77 32.32 85.41 29.35 31.25 84.95 28.56 31.78 2 0 1000.00 -999 ? >SER.C 67 86.46 28.53 36.79 85.36 27.22 38.48 85.91 27.88 37.64 2 0 1000.00 -999 ? >PRO.C 68 89.55 30.55 39.01 88.94 28.43 38.64 89.25 29.49 38.83 3 0 1000.00 -999 ? >ARG^C 69 86.86 27.67 43.37 85.71 29.63 45.48 86.29 28.65 44.42 2 0 1000.00 -999 ? >ILE^C 70 89.96 21.82 42.21 91.22 21.61 42.27 90.59 21.71 42.24 3 0 1000.00 -999 ? >ASN^C 71 84.99 20.03 39.69 84.22 21.80 38.86 84.61 20.92 39.28 2 0 1000.00 -999 ? >VAL^C 72 85.19 17.03 43.06 85.59 16.72 45.20 85.39 16.88 44.13 3 0 1000.00 -999 ? >ARG^C 73 80.75 12.36 39.86 79.26 14.48 38.12 80.00 13.42 38.99 2 0 1000.00 -999 ? >PRO.C 74 81.28 14.66 47.10 82.11 13.13 45.65 81.70 13.90 46.37 3 0 1000.00 -999 ? >THR.C 75 79.01 10.61 45.16 77.70 10.68 46.94 78.36 10.64 46.05 2 0 1000.00 -999 ? >PRO.C 76 77.72 7.59 42.23 77.99 9.79 42.32 77.85 8.69 42.28 3 0 1000.00 -999 ? >GLY.C 77 75.03 12.46 41.70 75.67 12.67 42.07 75.35 12.56 41.89 1 0 1000.00 -999 ? >GLU.C 78 75.21 15.22 45.39 75.26 14.82 47.47 75.23 15.02 46.43 2 0 1000.00 -999 ? >LEU.C 79 79.59 18.78 41.48 80.68 18.02 39.72 80.13 18.40 40.60 3 0 1000.00 -999 ? >GLN^C 80 80.47 18.58 47.27 80.69 17.87 49.25 80.58 18.22 48.26 2 0 1000.00 -999 ? >VAL^C 81 84.65 21.91 45.22 84.00 24.01 44.77 84.33 22.96 45.00 3 0 1000.00 -999 ? >TYR^C 82 89.27 19.52 46.54 89.42 16.78 45.81 89.35 18.15 46.17 3 0 1000.00 -999 ? >HIS^C 83 85.84 24.45 50.99 83.78 24.47 50.56 84.81 24.46 50.78 3 0 1000.00 -999 ? >GLY^C 84 91.12 26.58 50.10 90.93 26.00 49.56 91.03 26.29 49.83 1 0 1000.00 -999 ? >ALA^C 85 92.39 25.22 46.77 92.36 23.68 46.96 92.37 24.45 46.86 2 0 1000.00 -999 ? >GLY^C 86 92.31 26.53 43.20 93.03 26.13 43.33 92.67 26.33 43.26 1 0 1000.00 -999 ? >TRP^C 87 91.18 24.24 38.34 93.72 21.30 39.01 92.45 22.77 38.68 3 0 1000.00 -999 ? >ALA.C 88 96.32 28.99 38.66 97.76 28.74 38.26 97.04 28.86 38.46 2 0 1000.00 -999 ? >GLN.C 89 95.48 28.59 33.94 96.67 28.85 32.11 96.08 28.72 33.03 2 0 1000.00 -999 ? >PRO~C 90 89.97 30.70 34.20 91.06 28.80 34.92 90.51 29.75 34.56 3 0 1000.00 -999 ? >ALA~C 91 90.38 24.69 33.65 89.51 23.54 34.21 89.95 24.11 33.93 2 0 1000.00 -999 ? >THR~C 92 89.36 25.50 30.11 87.56 26.63 30.29 88.46 26.06 30.20 2 0 1000.00 -999 ? >ASP~C 93 92.50 29.17 30.85 91.36 30.81 30.23 91.93 29.99 30.54 2 0 1000.00 -999 ? >MET~C 94 94.63 25.23 31.37 94.50 23.76 35.36 94.56 24.49 33.36 2 0 1000.00 -999 ? >LEU~C 95 92.05 22.45 28.39 91.41 20.57 27.62 91.73 21.51 28.00 3 0 1000.00 -999 ? >GLU~C 96 93.32 27.66 24.46 92.75 29.70 24.49 93.04 28.68 24.47 2 0 1000.00 -999 ? >ASP~C 97 97.85 27.01 28.31 97.50 29.17 28.42 97.67 28.09 28.37 2 0 1000.00 -999 ? >SER~C 98 98.44 22.67 27.20 97.80 21.90 29.41 98.12 22.28 28.30 2 0 1000.00 -999 ? >VAL~C 99 97.10 21.97 23.74 95.13 21.28 22.92 96.11 21.62 23.33 3 0 1000.00 -999 ? >VAL~C 100 98.59 25.02 22.08 97.95 27.11 21.59 98.27 26.07 21.84 3 0 1000.00 -999 ? >ARG~C 101 101.85 26.76 26.92 100.96 29.05 28.77 101.40 27.90 27.84 2 0 1000.00 -999 ? >ALA~C 102 102.00 20.79 22.85 101.03 19.70 23.23 101.51 20.25 23.04 2 0 1000.00 -999 ? >PHE~C 103 99.20 21.61 18.33 97.01 19.97 17.94 98.11 20.79 18.13 3 0 1000.00 -999 ? >GLU~C 104 103.19 26.73 19.83 102.86 28.15 21.37 103.02 27.44 20.60 2 0 1000.00 -999 ? >ASP~C 105 106.52 21.51 22.70 106.74 23.08 24.17 106.63 22.30 23.43 2 0 1000.00 -999 ? >SER~C 106 105.91 19.02 18.91 104.27 19.31 17.18 105.09 19.16 18.05 2 0 1000.00 -999 ? >GLY~C 107 107.97 20.17 15.97 107.20 19.87 15.91 107.59 20.02 15.94 1 0 1000.00 -999 ? >LYS.C 108 105.33 18.74 13.68 108.02 14.09 13.25 106.67 16.42 13.46 2 0 1000.00 -999 ? >ILE.C 109 101.83 21.89 13.40 100.63 22.35 13.86 101.23 22.12 13.63 3 0 1000.00 -999 ? >ALA.C 110 105.13 25.27 12.65 106.40 25.46 11.79 105.77 25.37 12.22 2 0 1000.00 -999 ? >ALA.C 111 101.92 27.34 12.42 101.43 27.68 11.03 101.68 27.51 11.73 2 0 1000.00 -999 ? >VAL^C 112 99.63 27.11 15.56 99.81 25.41 16.89 99.72 26.26 16.22 3 0 1000.00 -999 ? >ALA^C 113 97.47 30.03 16.70 97.26 31.00 15.50 97.36 30.52 16.10 2 0 1000.00 -999 ? >ARG.C 114 96.15 31.67 22.40 98.32 30.46 24.21 97.24 31.06 23.31 2 0 1000.00 -999 ? >SER.C 121 94.18 29.23 9.27 92.27 28.62 10.73 93.22 28.92 10.00 2 0 1000.00 -999 ? >ASP.C 122 94.22 25.04 6.70 95.63 26.10 5.54 94.92 25.57 6.12 2 0 1000.00 -999 ? >TYR^C 123 92.39 21.72 9.25 92.51 20.30 6.86 92.45 21.01 8.06 3 0 1000.00 -999 ? >LYS^C 124 90.08 24.88 13.56 85.20 28.61 14.90 87.64 26.75 14.23 2 0 1000.00 -999 ? >LEU^C 125 91.58 21.99 17.14 91.82 20.35 18.62 91.70 21.17 17.88 3 0 1000.00 -999 ? >ALA^C 126 87.12 23.03 18.66 85.85 23.35 17.93 86.48 23.19 18.30 2 0 1000.00 -999 ? >ILE^C 127 88.35 21.28 22.94 89.46 20.80 23.43 88.90 21.04 23.19 3 0 1000.00 -999 ? >ASP^C 128 82.69 20.53 23.80 81.12 20.83 25.20 81.90 20.68 24.50 2 0 1000.00 -999 ? >VAL^C 129 84.89 19.81 27.97 86.66 20.67 28.95 85.77 20.24 28.46 3 0 1000.00 -999 ? >ARG^C 130 81.55 15.02 26.90 80.28 13.45 24.60 80.92 14.23 25.75 2 0 1000.00 -999 ? >ARG^C 131 82.41 13.66 33.73 83.46 10.89 34.47 82.93 12.27 34.10 2 0 1000.00 -999 ? >PHE^C 132 89.06 19.72 33.98 91.86 20.05 33.85 90.46 19.88 33.92 3 0 1000.00 -999 ? >GLU^C 133 84.98 15.05 37.93 83.04 14.88 37.21 84.01 14.97 37.57 2 0 1000.00 -999 ? >SER^C 134 88.29 14.62 40.87 89.10 14.31 43.13 88.70 14.47 42.00 2 0 1000.00 -999 ? >ASP^C 135 85.58 11.13 39.31 83.81 9.86 39.17 84.70 10.49 39.24 2 0 1000.00 -999 ? >TYR.C 136 85.76 10.20 45.96 87.38 11.61 47.73 86.57 10.91 46.85 3 0 1000.00 -999 ? >ALA.C 137 83.61 6.72 41.44 84.51 6.43 40.24 84.06 6.57 40.84 2 0 1000.00 -999 ? >GLY.C 138 82.77 4.38 44.35 83.47 4.76 44.36 83.12 4.57 44.36 1 0 1000.00 -999 ? >GLN.C 139 87.70 3.41 43.20 87.44 1.38 43.75 87.57 2.39 43.47 2 0 1000.00 -999 ? >SER.C 140 88.16 5.15 48.54 89.67 4.83 50.38 88.91 4.99 49.46 2 0 1000.00 -999 ? >LEU.C 141 92.01 6.96 46.26 93.66 6.69 47.65 92.84 6.82 46.95 3 0 1000.00 -999 ? >PRO.C 142 90.15 11.59 45.11 89.89 9.53 44.22 90.02 10.56 44.66 3 0 1000.00 -999 ? >ALA^C 143 90.67 9.72 39.95 90.20 8.60 39.09 90.44 9.16 39.52 2 0 1000.00 -999 ? >ALA^C 144 91.49 13.02 38.15 92.83 13.65 38.08 92.16 13.34 38.12 2 0 1000.00 -999 ? >THR^C 145 89.05 12.77 35.28 87.54 11.23 35.67 88.29 12.00 35.47 2 0 1000.00 -999 ? >ILE^C 146 90.14 15.44 31.60 91.10 16.51 31.40 90.62 15.97 31.50 3 0 1000.00 -999 ? >GLU^C 147 84.17 12.79 28.71 82.32 11.95 29.31 83.25 12.37 29.01 2 0 1000.00 -999 ? >LEU^C 148 87.18 17.21 26.16 89.23 16.92 25.62 88.20 17.07 25.89 3 0 1000.00 -999 ? >ASN^C 149 83.25 16.04 22.35 82.82 15.68 20.28 83.03 15.86 21.32 2 0 1000.00 -999 ? >ALA^C 150 86.98 17.54 20.03 88.49 17.20 19.93 87.73 17.37 19.98 2 0 1000.00 -999 ? >LYS^C 151 85.99 18.57 16.56 80.97 18.60 18.39 83.48 18.59 17.47 2 0 1000.00 -999 ? >LEU^C 152 89.34 18.32 13.09 91.37 19.01 12.61 90.36 18.67 12.85 3 0 1000.00 -999 ? >LEU^C 153 86.30 23.22 11.77 84.42 23.55 12.76 85.36 23.38 12.27 3 0 1000.00 -999 ? >HIS^C 154 88.56 22.58 5.30 89.87 23.19 3.78 89.22 22.89 4.54 3 0 1000.00 -999 ? >SER.C 155 87.94 26.67 8.02 89.86 26.93 9.50 88.90 26.80 8.76 2 0 1000.00 -999 ? >SER.C 156 87.36 27.45 4.28 89.06 26.95 2.59 88.21 27.20 3.44 2 0 1000.00 -999 ? >ASP.C 157 83.83 24.78 3.01 84.93 23.05 3.54 84.38 23.91 3.27 2 0 1000.00 -999 ? >GLN.C 158 81.73 27.71 8.27 82.27 27.76 10.35 82.00 27.74 9.31 2 0 1000.00 -999 ? >ARG^C 159 83.93 19.21 4.28 87.00 19.26 4.20 85.46 19.23 4.24 2 0 1000.00 -999 ? >VAL^C 160 83.33 19.08 9.99 82.23 18.60 11.81 82.78 18.84 10.90 3 0 1000.00 -999 ? >VAL^C 161 86.26 16.84 9.24 88.29 17.49 8.75 87.28 17.17 9.00 3 0 1000.00 -999 ? >ALA^C 162 85.94 14.68 12.41 87.17 13.82 12.33 86.56 14.25 12.37 2 0 1000.00 -999 ? >SER^C 163 84.80 14.46 15.99 82.83 15.46 17.01 83.82 14.96 16.50 2 0 1000.00 -999 ? >ARG^C 164 89.29 9.71 19.11 90.25 7.99 16.68 89.77 8.85 17.90 2 0 1000.00 -999 ? >THR^C 165 85.27 11.96 22.42 83.37 11.76 23.45 84.32 11.86 22.94 2 0 1000.00 -999 ? >PHE^C 166 89.98 12.69 23.16 91.05 12.73 20.58 90.52 12.71 21.87 3 0 1000.00 -999 ? >THR^C 167 88.17 10.43 28.35 86.34 9.61 29.13 87.25 10.02 28.74 2 0 1000.00 -999 ? >VAL^C 168 91.11 9.98 30.67 93.10 10.73 30.03 92.10 10.35 30.35 3 0 1000.00 -999 ? >ALA^C 169 91.02 9.08 34.44 89.83 8.25 34.92 90.43 8.67 34.68 2 0 1000.00 -999 ? >ARG^C 170 95.94 8.54 33.79 98.99 8.45 33.20 97.47 8.49 33.49 2 0 1000.00 -999 ? >PRO^C 171 94.43 5.55 39.42 94.04 7.80 39.58 94.24 6.68 39.50 3 0 1000.00 -999 ? >SER.C 172 95.24 9.95 43.04 95.31 11.90 44.47 95.27 10.93 43.75 2 0 1000.00 -999 ? >SER.C 173 97.70 8.22 45.28 99.60 9.58 45.76 98.65 8.90 45.52 2 0 1000.00 -999 ? >SER.C 174 96.05 10.08 48.20 96.99 11.88 49.62 96.52 10.98 48.91 2 0 1000.00 -999 ? >THR.C 175 93.15 12.15 49.44 91.93 12.12 51.30 92.54 12.13 50.37 2 0 1000.00 -999 ? >ASP~C 176 96.54 15.53 50.10 96.88 15.15 52.15 96.71 15.34 51.12 2 0 1000.00 -999 ? >THR~C 177 94.60 18.05 47.06 93.72 19.74 47.91 94.16 18.89 47.49 2 0 1000.00 -999 ? >ALA~C 178 98.38 18.15 46.23 99.56 18.25 47.21 98.97 18.20 46.72 2 0 1000.00 -999 ? >ALA~C 179 98.15 14.49 45.33 97.96 13.30 46.24 98.06 13.90 45.79 2 0 1000.00 -999 ? >VAL~C 180 94.92 15.09 43.31 92.72 15.02 43.71 93.82 15.06 43.51 3 0 1000.00 -999 ? >ALA~C 181 96.46 17.98 41.43 96.94 19.27 42.10 96.70 18.62 41.76 2 0 1000.00 -999 ? >ALA~C 182 99.49 15.79 40.53 100.48 15.10 41.44 99.99 15.44 40.98 2 0 1000.00 -999 ? >ALA~C 183 96.96 13.40 39.00 95.91 12.58 39.74 96.43 12.99 39.37 2 0 1000.00 -999 ? >PHE~C 184 93.36 17.40 37.82 90.63 17.28 38.43 91.99 17.34 38.13 3 0 1000.00 -999 ? >GLU~C 185 101.25 17.73 35.64 102.92 17.95 36.88 102.09 17.84 36.26 2 0 1000.00 -999 ? >GLN~C 186 100.47 12.14 36.26 100.26 10.46 37.55 100.37 11.30 36.90 2 0 1000.00 -999 ? >ALA~C 187 95.55 13.36 33.08 94.27 13.46 33.88 94.91 13.41 33.48 2 0 1000.00 -999 ? >LEU~C 188 96.54 17.93 31.82 95.46 19.78 31.97 96.00 18.85 31.89 3 0 1000.00 -999 ? >THR~C 189 99.26 15.43 29.67 101.30 15.29 30.54 100.28 15.36 30.10 2 0 1000.00 -999 ? >GLN~C 190 97.09 9.57 28.67 96.24 7.91 29.89 96.66 8.74 29.28 2 0 1000.00 -999 ? >VAL~C 191 94.50 13.89 27.08 92.63 15.04 27.47 93.57 14.47 27.28 3 0 1000.00 -999 ? >THR~C 192 96.60 16.56 25.27 97.43 18.36 26.00 97.02 17.46 25.64 2 0 1000.00 -999 ? >THR~C 193 99.02 13.93 23.83 100.54 12.64 24.73 99.78 13.29 24.28 2 0 1000.00 -999 ? >GLU~C 194 95.44 10.23 23.90 94.16 9.26 25.29 94.80 9.75 24.59 2 0 1000.00 -999 ? >LEU~C 195 94.07 16.60 21.78 92.09 17.21 22.42 93.08 16.90 22.10 3 0 1000.00 -999 ? >VAL~C 196 97.65 16.59 19.28 99.45 17.66 19.86 98.55 17.12 19.57 3 0 1000.00 -999 ? >GLY~C 197 98.18 13.23 17.62 97.51 13.67 17.67 97.84 13.45 17.64 1 0 1000.00 -999 ? >TRP~C 198 91.53 11.72 16.39 89.38 15.01 16.14 90.45 13.37 16.27 3 0 1000.00 -999 ? >THR~C 199 94.61 16.56 15.16 94.19 18.44 16.09 94.40 17.50 15.63 2 0 1000.00 -999 ? >LEU~C 200 99.22 15.71 13.69 100.52 17.30 14.35 99.87 16.50 14.02 3 0 1000.00 -999 ? >ILE~C 201 96.56 11.18 12.50 96.74 9.79 12.86 96.65 10.48 12.68 3 0 1000.00 -999 ? >THR~C 202 93.21 13.35 10.91 91.36 13.24 12.11 92.28 13.29 11.51 2 0 1000.00 -999 ? >GLY~C 203 93.89 16.79 9.50 94.27 16.11 9.31 94.08 16.45 9.41 1 0 1000.00 -999 ? >GLN~C 204 99.00 14.45 6.70 100.14 16.10 5.88 99.57 15.27 6.29 2 0 1000.00 -999 ? >GLN~C 205 94.83 10.19 6.86 94.36 8.84 8.47 94.59 9.52 7.66 2 0 1000.00 -999 ? >ASP~C 206 91.32 16.10 5.96 89.83 17.25 5.02 90.58 16.68 5.49 2 0 1000.00 -999 ? >SER~C 207 94.64 17.96 3.40 97.06 17.78 3.61 95.85 17.87 3.50 2 0 1000.00 -999 ? >GLN~C 208 97.66 14.29 1.84 98.50 12.63 2.88 98.08 13.46 2.36 2 0 1000.00 -999 ? >THR.C 209 91.96 15.19 -0.75 90.89 14.24 1.02 91.43 14.72 0.14 2 0 1000.00 -999 ? >THR.D 33 107.59 47.92 47.65 109.43 47.14 48.58 108.51 47.53 48.12 2 0 1000.00 -999 ? >ILE^D 34 107.13 49.68 43.30 105.79 49.21 43.01 106.46 49.44 43.15 3 0 1000.00 -999 ? >TYR^D 35 111.37 44.97 43.49 111.91 44.32 46.17 111.64 44.65 44.83 3 0 1000.00 -999 ? >ALA.D 36 111.36 48.42 38.49 111.06 49.91 38.46 111.21 49.16 38.48 2 0 1000.00 -999 ? >PRO.D 37 112.85 44.58 36.89 113.49 46.76 36.91 113.17 45.67 36.90 3 0 1000.00 -999 ? >THR.D 38 116.00 48.59 33.87 117.00 50.53 34.19 116.50 49.56 34.03 2 0 1000.00 -999 ? >VAL.D 39 116.57 46.46 30.81 115.32 44.78 30.24 115.94 45.62 30.53 3 0 1000.00 -999 ? >ARG.D 40 119.69 50.91 29.45 118.00 53.42 30.04 118.84 52.16 29.75 2 0 1000.00 -999 ? >VAL.D 41 120.19 45.52 25.46 118.84 44.34 24.20 119.51 44.93 24.83 3 0 1000.00 -999 ? >THR.D 42 123.64 45.91 23.88 125.58 45.69 24.74 124.61 45.80 24.31 2 0 1000.00 -999 ? >PRO.D 43 123.00 47.90 20.16 123.29 45.80 20.77 123.14 46.85 20.46 3 0 1000.00 -999 ? >ASN.D 44 124.64 41.27 18.41 126.17 39.91 17.82 125.40 40.59 18.11 2 0 1000.00 -999 ? >PRO.D 45 128.80 44.60 17.19 126.91 43.92 16.17 127.85 44.26 16.68 3 0 1000.00 -999 ? >ALA.D 46 126.45 40.90 13.72 126.93 39.50 14.20 126.69 40.20 13.96 2 0 1000.00 -999 ? >TRP.D 47 121.87 40.11 16.15 120.72 42.19 19.26 121.30 41.15 17.70 3 0 1000.00 -999 ? >PRO.D 48 119.78 41.03 10.38 121.55 42.32 10.69 120.66 41.68 10.53 3 0 1000.00 -999 ? >GLN.D 49 120.70 48.76 9.32 122.12 50.30 9.39 121.41 49.53 9.36 2 0 1000.00 -999 ? >VAL.D 50 116.96 46.02 8.14 116.06 44.53 9.54 116.51 45.27 8.84 3 0 1000.00 -999 ? >SER.D 51 114.38 48.13 6.30 114.56 47.76 3.89 114.47 47.95 5.10 2 0 1000.00 -999 ? >TRP.D 52 113.09 43.30 6.68 112.67 42.55 10.52 112.88 42.93 8.60 3 0 1000.00 -999 ? >GLN.D 53 108.17 49.98 8.16 106.78 51.65 8.22 107.47 50.82 8.19 2 0 1000.00 -999 ? >LEU^D 54 109.14 45.07 13.21 109.29 43.42 14.61 109.21 44.24 13.91 3 0 1000.00 -999 ? >LEU^D 55 103.50 45.42 14.16 101.52 45.59 15.22 102.51 45.50 14.69 3 0 1000.00 -999 ? >VAL^D 56 105.30 44.29 18.32 107.07 44.38 19.56 106.19 44.34 18.94 3 0 1000.00 -999 ? >ALA.D 57 101.97 42.82 19.50 101.52 41.49 18.98 101.75 42.15 19.24 2 0 1000.00 -999 ? >LYS.D 58 100.74 42.88 23.14 97.26 47.76 24.35 99.00 45.32 23.75 2 0 1000.00 -999 ? >PRO.D 59 104.04 41.13 25.30 102.08 40.40 24.47 103.06 40.77 24.89 3 0 1000.00 -999 ? >SER.D 60 99.60 37.10 25.84 99.91 35.56 24.01 99.76 36.33 24.93 2 0 1000.00 -999 ? >ALA.D 61 99.54 35.40 29.27 100.62 36.10 30.15 100.08 35.75 29.71 2 0 1000.00 -999 ? >ALA.D 62 97.32 33.99 32.02 97.64 32.82 32.84 97.48 33.41 32.43 2 0 1000.00 -999 ? >ARG.D 63 91.76 37.04 34.45 90.10 38.19 32.01 90.93 37.62 33.23 2 0 1000.00 -999 ? >ILE.D 64 98.42 34.12 37.53 98.91 33.05 38.18 98.67 33.59 37.85 3 0 1000.00 -999 ? >ILE.D 65 102.03 35.73 33.69 103.04 34.96 32.98 102.53 35.35 33.34 3 0 1000.00 -999 ? >ASP.D 66 98.65 39.32 32.21 98.02 41.15 31.30 98.33 40.24 31.75 2 0 1000.00 -999 ? >SER.D 67 99.64 41.45 36.60 99.62 40.24 38.67 99.63 40.85 37.63 2 0 1000.00 -999 ? >PRO.D 68 100.34 44.87 39.37 101.48 43.11 38.46 100.91 43.99 38.91 3 0 1000.00 -999 ? >ARG^D 69 100.78 40.54 43.80 99.72 41.56 46.53 100.25 41.05 45.16 2 0 1000.00 -999 ? >ILE^D 70 106.83 39.26 42.30 108.20 39.96 42.08 107.52 39.61 42.19 3 0 1000.00 -999 ? >ASN^D 71 104.59 34.44 39.58 102.87 35.32 38.69 103.73 34.88 39.13 2 0 1000.00 -999 ? >VAL^D 72 106.80 32.32 42.91 107.23 32.63 45.07 107.02 32.47 43.99 3 0 1000.00 -999 ? >ARG^D 73 107.03 26.03 39.83 104.63 26.56 37.98 105.83 26.30 38.91 2 0 1000.00 -999 ? >PRO^D 74 106.17 28.06 47.08 107.88 27.55 45.71 107.02 27.80 46.40 3 0 1000.00 -999 ? >THR^D 75 107.35 23.64 45.31 106.19 22.78 47.02 106.77 23.21 46.16 2 0 1000.00 -999 ? >PRO.D 76 108.51 20.57 42.40 107.20 22.34 42.47 107.86 21.45 42.44 3 0 1000.00 -999 ? >GLY.D 77 103.26 21.99 41.57 103.51 22.61 42.04 103.39 22.30 41.80 1 0 1000.00 -999 ? >GLU^D 78 101.37 25.30 45.53 101.66 24.66 47.50 101.52 24.98 46.52 2 0 1000.00 -999 ? >LEU^D 79 101.64 29.64 41.45 102.91 30.05 39.68 102.27 29.85 40.57 3 0 1000.00 -999 ? >GLN^D 80 102.28 30.50 47.37 103.40 29.80 49.02 102.84 30.15 48.19 2 0 1000.00 -999 ? >VAL^D 81 103.08 35.53 45.09 101.07 36.38 44.56 102.08 35.95 44.82 3 0 1000.00 -999 ? >TYR^D 82 107.93 37.23 46.44 110.06 35.53 45.83 108.99 36.38 46.13 3 0 1000.00 -999 ? >HIS^D 83 101.80 38.10 50.76 100.43 36.56 50.31 101.11 37.33 50.54 3 0 1000.00 -999 ? >GLY^D 84 104.52 43.23 50.21 104.71 42.74 49.58 104.61 42.99 49.90 1 0 1000.00 -999 ? >ALA^D 85 106.28 43.27 46.81 107.43 42.26 46.89 106.85 42.77 46.85 2 0 1000.00 -999 ? >GLY^D 86 105.07 44.03 43.28 105.79 44.38 43.44 105.43 44.20 43.36 1 0 1000.00 -999 ? >TRP^D 87 105.88 41.70 38.26 109.77 41.46 38.87 107.82 41.58 38.56 3 0 1000.00 -999 ? >ALA.D 88 105.98 48.71 38.55 107.12 49.55 38.12 106.55 49.13 38.34 2 0 1000.00 -999 ? >GLN.D 89 105.24 48.92 33.85 106.16 48.92 31.93 105.70 48.92 32.89 2 0 1000.00 -999 ? >PRO~D 90 100.22 45.38 34.15 102.31 44.92 34.85 101.27 45.15 34.50 3 0 1000.00 -999 ? >ALA~D 91 104.88 41.69 33.68 105.10 40.33 34.33 104.99 41.01 34.00 2 0 1000.00 -999 ? >THR~D 92 103.48 41.25 30.16 101.43 40.70 30.30 102.46 40.97 30.23 2 0 1000.00 -999 ? >ASP~D 93 103.11 46.18 30.52 101.03 46.28 30.01 102.07 46.23 30.26 2 0 1000.00 -999 ? >MET~D 94 107.50 44.90 31.25 108.37 43.81 35.33 107.94 44.36 33.29 2 0 1000.00 -999 ? >LEU~D 95 107.79 41.05 28.43 108.52 39.35 27.47 108.15 40.20 27.95 3 0 1000.00 -999 ? >GLU~D 96 104.52 45.45 24.44 102.66 46.44 24.69 103.59 45.94 24.57 2 0 1000.00 -999 ? >ASP~D 97 108.20 48.25 28.12 106.44 49.47 28.29 107.32 48.86 28.20 2 0 1000.00 -999 ? >SER~D 98 111.72 45.72 26.94 112.39 44.60 28.90 112.06 45.16 27.92 2 0 1000.00 -999 ? >VAL~D 99 111.34 44.28 23.49 110.45 42.45 22.68 110.90 43.36 23.08 3 0 1000.00 -999 ? >VAL~D 100 110.06 47.39 21.70 108.09 48.30 21.31 109.08 47.85 21.50 3 0 1000.00 -999 ? >ARG~D 101 111.42 51.17 26.62 109.48 51.97 28.82 110.45 51.57 27.72 2 0 1000.00 -999 ? >ALA~D 102 115.56 47.18 22.65 115.74 45.81 23.17 115.65 46.49 22.91 2 0 1000.00 -999 ? >PHE~D 103 113.02 45.42 18.12 112.52 42.70 17.81 112.77 44.06 17.97 3 0 1000.00 -999 ? >GLU~D 104 112.09 52.10 19.60 110.71 52.80 21.15 111.40 52.45 20.37 2 0 1000.00 -999 ? >ASP~D 105 118.06 51.30 22.27 117.10 52.88 23.32 117.58 52.09 22.80 2 0 1000.00 -999 ? >SER.D 106 119.44 48.64 18.66 118.15 47.66 16.96 118.79 48.15 17.81 2 0 1000.00 -999 ? >GLY.D 107 120.32 50.84 15.66 119.99 50.05 15.64 120.16 50.44 15.65 1 0 1000.00 -999 ? >LYS.D 108 119.20 48.08 13.31 124.28 45.65 13.42 121.74 46.87 13.37 2 0 1000.00 -999 ? >ILE.D 109 114.65 47.65 13.03 113.49 47.10 13.60 114.07 47.38 13.31 3 0 1000.00 -999 ? >ALA.D 110 114.33 52.30 11.95 114.79 53.14 10.70 114.56 52.72 11.33 2 0 1000.00 -999 ? >ALA.D 111 110.62 51.49 12.05 109.95 51.54 10.71 110.28 51.52 11.38 2 0 1000.00 -999 ? >VAL^D 112 109.34 49.46 15.07 110.43 48.67 16.81 109.88 49.06 15.94 3 0 1000.00 -999 ? >ALA^D 113 105.98 50.07 16.66 105.20 50.83 15.62 105.59 50.45 16.14 2 0 1000.00 -999 ? >ARG.D 114 103.83 50.26 22.58 106.40 51.17 24.01 105.12 50.72 23.30 2 0 1000.00 -999 ? >SER.D 121 103.78 47.07 9.35 102.53 45.42 10.63 103.16 46.24 9.99 2 0 1000.00 -999 ? >ASP.D 122 107.04 44.53 6.77 107.17 46.22 5.59 107.10 45.37 6.18 2 0 1000.00 -999 ? >TYR^D 123 108.39 40.57 8.88 109.36 39.54 6.48 108.88 40.06 7.68 3 0 1000.00 -999 ? >LYS^D 124 104.50 41.23 13.30 98.65 39.80 15.47 101.58 40.51 14.38 2 0 1000.00 -999 ? >LEU^D 125 107.44 40.31 16.97 108.96 39.24 18.21 108.20 39.78 17.59 3 0 1000.00 -999 ? >ALA^D 126 103.69 37.88 18.83 102.47 37.18 18.27 103.08 37.53 18.55 2 0 1000.00 -999 ? >ILE^D 127 105.91 37.40 23.06 107.05 37.90 23.43 106.48 37.65 23.24 3 0 1000.00 -999 ? >ASP^D 128 102.22 32.96 23.91 100.89 32.02 25.32 101.56 32.49 24.62 2 0 1000.00 -999 ? >VAL^D 129 104.51 34.21 28.02 105.22 35.96 29.15 104.86 35.08 28.59 3 0 1000.00 -999 ? >ARG^D 130 105.61 28.22 27.04 105.97 26.25 24.72 105.79 27.23 25.88 2 0 1000.00 -999 ? >ARG^D 131 107.40 27.86 34.08 110.26 26.79 34.44 108.83 27.33 34.26 2 0 1000.00 -999 ? >PHE^D 132 107.56 36.98 33.94 109.09 39.31 33.94 108.32 38.15 33.94 3 0 1000.00 -999 ? >GLU^D 133 108.18 31.00 37.70 106.92 29.42 37.16 107.55 30.21 37.43 2 0 1000.00 -999 ? >SER^D 134 110.80 33.04 40.89 111.75 33.28 43.08 111.28 33.16 41.99 2 0 1000.00 -999 ? >ASP^D 135 111.52 28.79 39.29 111.27 26.70 39.09 111.39 27.75 39.19 2 0 1000.00 -999 ? >TYR.D 136 112.22 28.31 45.91 112.43 30.47 47.63 112.33 29.39 46.77 3 0 1000.00 -999 ? >ALA.D 137 113.29 24.41 41.44 114.09 24.96 40.29 113.69 24.68 40.86 2 0 1000.00 -999 ? >GLY.D 138 114.40 22.08 44.34 114.64 22.81 44.27 114.52 22.44 44.30 1 0 1000.00 -999 ? >GLN.D 139 118.54 24.30 43.63 120.45 23.70 44.54 119.50 24.00 44.09 2 0 1000.00 -999 ? >SER.D 140 117.68 26.89 48.51 119.31 27.66 50.19 118.50 27.27 49.35 2 0 1000.00 -999 ? >LEU.D 141 119.55 30.48 45.86 121.18 31.40 46.93 120.36 30.94 46.39 3 0 1000.00 -999 ? >PRO.D 142 114.70 32.29 44.71 115.95 30.57 44.10 115.32 31.43 44.41 3 0 1000.00 -999 ? >ALA^D 143 115.96 31.28 39.78 116.32 30.24 38.76 116.14 30.76 39.27 2 0 1000.00 -999 ? >ALA^D 144 114.06 34.23 38.21 114.54 35.69 38.15 114.30 34.96 38.18 2 0 1000.00 -999 ? >THR^D 145 112.55 32.30 35.29 112.52 30.13 35.60 112.54 31.21 35.45 2 0 1000.00 -999 ? >ILE^D 146 111.33 34.74 31.46 111.12 36.14 31.30 111.23 35.44 31.38 3 0 1000.00 -999 ? >GLU^D 147 109.13 28.57 28.80 107.96 26.83 29.24 108.55 27.70 29.02 2 0 1000.00 -999 ? >LEU^D 148 108.07 33.71 26.27 109.58 35.10 25.49 108.83 34.40 25.88 3 0 1000.00 -999 ? >ASN^D 149 106.23 30.23 22.41 105.90 29.77 20.37 106.07 30.00 21.39 2 0 1000.00 -999 ? >ALA^D 150 107.49 34.05 19.89 108.70 34.91 19.93 108.10 34.48 19.91 2 0 1000.00 -999 ? >LYS^D 151 105.89 33.83 16.46 103.12 29.81 18.21 104.51 31.82 17.34 2 0 1000.00 -999 ? >LEU^D 152 108.60 36.07 13.16 109.61 37.75 12.20 109.11 36.91 12.68 3 0 1000.00 -999 ? >LEU^D 153 102.82 37.05 11.68 101.39 35.97 12.91 102.11 36.51 12.30 3 0 1000.00 -999 ? >HIS^D 154 104.98 38.40 5.31 105.18 39.65 3.64 105.08 39.03 4.48 3 0 1000.00 -999 ? >SER.D 155 101.57 40.83 8.01 102.35 42.61 9.48 101.96 41.72 8.75 2 0 1000.00 -999 ? >SER.D 156 100.04 40.62 4.46 101.96 41.56 3.26 101.00 41.09 3.86 2 0 1000.00 -999 ? >ASP.D 157 100.88 35.80 3.89 101.99 36.32 2.17 101.44 36.06 3.03 2 0 1000.00 -999 ? >GLN.D 158 96.78 37.20 8.25 94.65 36.97 8.42 95.72 37.08 8.33 2 0 1000.00 -999 ? >ARG^D 159 103.89 33.16 4.15 106.45 34.87 4.37 105.17 34.02 4.26 2 0 1000.00 -999 ? >VAL^D 160 104.11 32.19 10.19 103.41 30.90 11.79 103.76 31.55 10.99 3 0 1000.00 -999 ? >VAL^D 161 107.68 32.89 9.16 108.81 34.66 8.56 108.24 33.78 8.86 3 0 1000.00 -999 ? >ALA^D 162 109.14 30.96 12.15 110.60 31.26 12.05 109.87 31.11 12.10 2 0 1000.00 -999 ? >SER^D 163 108.54 30.17 15.76 106.84 28.97 16.92 107.69 29.57 16.34 2 0 1000.00 -999 ? >ARG^D 164 114.45 30.03 19.77 117.33 29.47 18.76 115.89 29.75 19.26 2 0 1000.00 -999 ? >THR^D 165 110.36 28.98 22.53 109.29 27.45 23.64 109.82 28.22 23.08 2 0 1000.00 -999 ? >PHE^D 166 113.44 32.79 23.07 113.84 33.63 20.40 113.64 33.21 21.74 3 0 1000.00 -999 ? >THR^D 167 113.53 29.84 28.32 112.78 27.82 28.59 113.15 28.83 28.45 2 0 1000.00 -999 ? >VAL^D 168 115.71 31.76 30.76 116.81 33.54 30.09 116.26 32.65 30.42 3 0 1000.00 -999 ? >ALA^D 169 116.40 30.97 34.42 116.13 29.51 34.81 116.26 30.24 34.61 2 0 1000.00 -999 ? >ARG^D 170 120.66 34.34 33.93 122.15 36.53 32.37 121.41 35.43 33.15 2 0 1000.00 -999 ? >PRO^D 171 121.23 30.52 38.94 119.69 32.15 39.30 120.46 31.34 39.12 3 0 1000.00 -999 ? >SER.D 172 119.24 34.74 42.73 117.93 36.22 44.05 118.58 35.48 43.39 2 0 1000.00 -999 ? >SER.D 173 122.10 35.50 45.13 122.16 37.84 45.39 122.13 36.67 45.26 2 0 1000.00 -999 ? >SER.D 174 119.61 35.44 47.98 118.88 37.07 49.62 119.24 36.26 48.80 2 0 1000.00 -999 ? >THR.D 175 116.09 34.67 49.01 115.29 33.41 50.60 115.69 34.04 49.80 2 0 1000.00 -999 ? >ASP~D 176 116.02 39.49 50.06 117.07 38.92 51.86 116.54 39.20 50.96 2 0 1000.00 -999 ? >THR~D 177 112.79 39.95 46.91 110.82 40.37 47.71 111.81 40.16 47.31 2 0 1000.00 -999 ? >ALA~D 178 115.38 42.68 46.15 116.25 43.43 47.11 115.81 43.05 46.63 2 0 1000.00 -999 ? >ALA~D 179 117.82 39.98 44.90 118.68 39.05 45.80 118.25 39.51 45.35 2 0 1000.00 -999 ? >VAL~D 180 115.10 38.04 43.09 113.47 36.58 43.65 114.29 37.31 43.37 3 0 1000.00 -999 ? >ALA~D 181 114.11 41.24 41.32 113.58 42.48 42.00 113.85 41.86 41.66 2 0 1000.00 -999 ? >ALA~D 182 117.76 41.92 40.33 118.90 42.10 41.29 118.33 42.01 40.81 2 0 1000.00 -999 ? >ALA~D 183 117.88 38.37 38.97 117.78 37.01 39.69 117.83 37.69 39.33 2 0 1000.00 -999 ? >PHE~D 184 112.36 38.42 37.59 110.54 36.38 38.09 111.45 37.40 37.84 3 0 1000.00 -999 ? >GLU~D 185 117.92 44.25 35.32 118.48 46.03 36.30 118.20 45.14 35.81 2 0 1000.00 -999 ? >GLN~D 186 121.16 39.90 35.70 122.20 38.85 37.22 121.68 39.37 36.46 2 0 1000.00 -999 ? >ALA~D 187 116.61 37.30 32.88 115.66 36.49 33.72 116.14 36.89 33.30 2 0 1000.00 -999 ? >LEU~D 188 113.79 41.15 31.57 111.71 41.64 30.99 112.75 41.39 31.28 3 0 1000.00 -999 ? >THR~D 189 117.67 41.41 29.54 119.18 42.76 30.41 118.42 42.09 29.98 2 0 1000.00 -999 ? >GLN~D 190 119.95 35.67 28.16 120.31 33.67 29.04 120.13 34.67 28.60 2 0 1000.00 -999 ? >VAL~D 191 115.36 36.95 26.84 113.28 36.40 27.29 114.32 36.67 27.06 3 0 1000.00 -999 ? >THR~D 192 114.96 40.36 25.19 114.25 42.27 25.95 114.60 41.31 25.57 2 0 1000.00 -999 ? >THR~D 193 118.46 40.32 23.60 120.54 40.47 24.41 119.50 40.39 24.01 2 0 1000.00 -999 ? >GLU~D 194 118.73 35.36 23.65 118.67 33.62 24.82 118.70 34.49 24.24 2 0 1000.00 -999 ? >LEU~D 195 112.93 38.51 21.45 111.24 37.31 22.25 112.08 37.91 21.85 3 0 1000.00 -999 ? >VAL~D 196 115.61 41.11 19.05 116.09 43.15 19.68 115.85 42.13 19.36 3 0 1000.00 -999 ? >GLY~D 197 118.43 39.10 17.43 117.64 38.97 17.44 118.04 39.03 17.44 1 0 1000.00 -999 ? >TRP~D 198 114.88 33.03 16.23 111.07 34.08 16.08 112.98 33.56 16.15 3 0 1000.00 -999 ? >THR~D 199 113.46 38.63 14.96 111.92 39.75 15.88 112.69 39.19 15.42 2 0 1000.00 -999 ? >LEU~D 200 117.23 41.44 13.68 116.90 43.52 14.25 117.07 42.48 13.96 3 0 1000.00 -999 ? >ILE~D 201 118.95 36.74 12.23 120.06 36.33 12.64 119.51 36.54 12.43 3 0 1000.00 -999 ? >THR~D 202 114.75 35.64 10.83 113.86 33.96 11.96 114.30 34.80 11.40 2 0 1000.00 -999 ? >GLY~D 203 112.75 38.60 9.49 113.47 38.23 9.27 113.11 38.42 9.38 1 0 1000.00 -999 ? >GLN~D 204 117.71 40.36 6.17 117.38 42.39 5.53 117.55 41.38 5.85 2 0 1000.00 -999 ? >GLN~D 205 117.67 34.36 7.30 117.85 32.51 8.43 117.76 33.44 7.86 2 0 1000.00 -999 ? >ASP~D 206 111.19 36.15 6.04 109.42 35.43 5.21 110.31 35.79 5.62 2 0 1000.00 -999 ? >SER~D 207 112.31 39.26 3.13 113.48 41.01 4.26 112.89 40.13 3.70 2 0 1000.00 -999 ? >GLN~D 208 117.41 39.30 1.34 119.16 39.08 2.53 118.28 39.19 1.94 2 0 1000.00 -999 ? >THR.D 209 112.92 35.55 -0.66 112.73 34.11 1.05 112.83 34.83 0.19 2 0 1000.00 -999 ? >THR.E 33 48.88 43.39 108.59 46.86 43.23 109.35 47.87 43.31 108.97 2 0 1000.00 -999 ? >ILE^E 34 50.13 41.90 104.28 51.08 42.91 104.11 50.60 42.40 104.19 3 0 1000.00 -999 ? >TYR^E 35 44.50 44.69 104.29 43.82 45.05 107.00 44.16 44.87 105.64 3 0 1000.00 -999 ? >ALA.E 36 45.69 41.15 99.68 46.50 39.85 99.80 46.10 40.50 99.74 2 0 1000.00 -999 ? >PRO.E 37 43.28 44.14 98.08 43.15 41.95 98.10 43.21 43.04 98.09 3 0 1000.00 -999 ? >THR.E 38 41.23 39.37 95.30 40.77 37.27 95.74 41.00 38.32 95.52 2 0 1000.00 -999 ? >VAL.E 39 40.05 40.95 92.03 40.49 43.01 91.35 40.27 41.98 91.69 3 0 1000.00 -999 ? >ARG.E 40 37.92 35.47 91.39 40.71 34.08 91.23 39.31 34.78 91.31 2 0 1000.00 -999 ? >VAL.E 41 36.11 40.69 86.66 36.67 42.49 85.50 36.39 41.59 86.08 3 0 1000.00 -999 ? >THR.E 42 32.86 39.23 85.42 31.07 38.72 86.59 31.96 38.98 86.01 2 0 1000.00 -999 ? >PRO.E 43 34.05 37.10 81.86 33.14 39.10 82.37 33.59 38.10 82.11 3 0 1000.00 -999 ? >ASN.E 44 30.31 42.84 79.77 28.47 43.61 78.99 29.39 43.22 79.38 2 0 1000.00 -999 ? >PRO.E 45 26.91 39.39 78.28 29.00 39.72 77.46 27.96 39.55 77.87 3 0 1000.00 -999 ? >ALA.E 46 28.54 42.74 74.92 27.75 44.00 75.35 28.14 43.37 75.13 2 0 1000.00 -999 ? >TRP.E 47 32.58 44.97 77.30 34.23 43.64 80.59 33.41 44.31 78.94 3 0 1000.00 -999 ? >PRO.E 48 34.51 44.72 71.58 33.39 42.83 72.02 33.95 43.78 71.80 3 0 1000.00 -999 ? >GLN.E 49 36.47 37.07 70.52 35.85 35.05 70.71 36.16 36.06 70.61 2 0 1000.00 -999 ? >VAL^E 50 38.94 40.97 69.39 39.39 42.56 70.87 39.16 41.77 70.13 3 0 1000.00 -999 ? >SER^E 51 41.72 39.45 67.31 41.08 40.01 64.96 41.40 39.73 66.14 2 0 1000.00 -999 ? >TRP^E 52 41.88 44.29 67.71 42.02 45.62 71.41 41.95 44.95 69.56 3 0 1000.00 -999 ? >GLN^E 53 48.26 39.94 69.41 49.99 38.68 69.52 49.12 39.31 69.46 2 0 1000.00 -999 ? >LEU^E 54 46.04 44.38 74.43 45.15 45.91 75.61 45.59 45.15 75.02 3 0 1000.00 -999 ? >LEU^E 55 51.57 46.02 75.29 53.45 46.43 76.35 52.51 46.23 75.82 3 0 1000.00 -999 ? >VAL^E 56 49.42 46.62 79.31 47.70 46.08 80.60 48.56 46.35 79.95 3 0 1000.00 -999 ? >ALA.E 57 52.18 49.07 80.36 52.35 50.45 79.78 52.27 49.76 80.07 2 0 1000.00 -999 ? >LYS.E 58 53.40 49.71 83.92 58.94 47.73 86.39 56.17 48.72 85.16 2 0 1000.00 -999 ? >PRO.E 59 49.67 50.05 86.10 51.20 51.47 85.28 50.44 50.76 85.69 3 0 1000.00 -999 ? >SER^E 60 52.59 55.24 86.53 51.99 57.23 85.23 52.29 56.24 85.88 2 0 1000.00 -999 ? >ALA^E 61 52.08 57.25 89.79 51.28 56.28 90.67 51.68 56.76 90.23 2 0 1000.00 -999 ? >ALA.E 62 53.65 59.54 92.43 52.92 60.63 93.24 53.29 60.09 92.83 2 0 1000.00 -999 ? >ARG.E 63 59.53 57.66 95.60 62.20 59.02 94.94 60.86 58.34 95.27 2 0 1000.00 -999 ? >ILE.E 64 52.62 59.01 98.57 51.64 59.85 99.24 52.13 59.43 98.91 3 0 1000.00 -999 ? >ILE.E 65 50.15 56.46 94.42 48.91 56.77 93.65 49.53 56.62 94.04 3 0 1000.00 -999 ? >ASP.E 66 54.37 54.20 92.90 55.71 52.83 91.99 55.04 53.51 92.44 2 0 1000.00 -999 ? >SER.E 67 54.09 51.95 97.36 53.45 53.27 99.31 53.77 52.61 98.33 2 0 1000.00 -999 ? >PRO.E 68 55.01 48.49 99.63 53.12 49.68 99.25 54.07 49.08 99.44 3 0 1000.00 -999 ? >ARG^E 69 52.78 52.99 105.17 54.89 52.80 107.47 53.84 52.89 106.32 2 0 1000.00 -999 ? >ILE^E 70 46.83 51.72 103.12 45.89 50.49 102.89 46.36 51.11 103.00 3 0 1000.00 -999 ? >ASN^E 71 47.05 57.04 100.46 48.81 56.69 99.36 47.93 56.87 99.91 2 0 1000.00 -999 ? >VAL^E 72 44.27 57.90 103.84 43.91 57.59 105.96 44.09 57.74 104.90 3 0 1000.00 -999 ? >ARG^E 73 42.02 63.53 100.58 44.36 64.07 98.67 43.19 63.80 99.62 2 0 1000.00 -999 ? >PRO.E 74 43.65 62.34 107.96 41.87 62.06 106.59 42.76 62.20 107.28 3 0 1000.00 -999 ? >THR.E 75 40.48 65.74 106.31 41.11 66.94 107.99 40.79 66.34 107.15 2 0 1000.00 -999 ? >PRO.E 76 38.24 68.06 103.56 40.23 67.12 103.53 39.23 67.59 103.55 3 0 1000.00 -999 ? >GLY.E 77 43.73 68.89 102.27 43.74 68.28 102.76 43.74 68.59 102.51 1 0 1000.00 -999 ? >GLU.E 78 46.72 66.96 106.29 46.14 67.28 108.26 46.43 67.12 107.27 2 0 1000.00 -999 ? >LEU.E 79 48.03 62.74 102.10 47.47 61.55 100.30 47.75 62.15 101.20 3 0 1000.00 -999 ? >GLN^E 80 47.59 61.40 108.02 46.57 61.14 109.91 47.08 61.27 108.97 2 0 1000.00 -999 ? >VAL^E 81 49.14 56.45 105.77 51.27 56.26 105.14 50.20 56.36 105.46 3 0 1000.00 -999 ? >TYR^E 82 45.15 53.14 107.28 42.53 53.98 106.62 43.84 53.56 106.95 3 0 1000.00 -999 ? >HIS^E 83 51.04 54.53 111.47 51.30 56.58 111.05 51.17 55.56 111.26 3 0 1000.00 -999 ? >GLY^E 84 50.58 48.60 110.88 50.17 48.96 110.30 50.38 48.78 110.59 1 0 1000.00 -999 ? >ALA^E 85 48.47 47.99 107.76 47.08 48.54 107.66 47.78 48.27 107.71 2 0 1000.00 -999 ? >GLY^E 86 50.09 47.62 104.28 49.45 47.07 104.39 49.77 47.34 104.34 1 0 1000.00 -999 ? >TRP^E 87 48.41 49.55 99.19 44.69 48.48 99.75 46.55 49.01 99.47 3 0 1000.00 -999 ? >ALA.E 88 50.58 42.92 99.61 49.77 41.73 99.12 50.17 42.32 99.36 2 0 1000.00 -999 ? >GLN.E 89 51.57 43.76 94.23 50.36 42.39 93.13 50.97 43.07 93.68 2 0 1000.00 -999 ? >PRO~E 90 54.69 47.76 94.96 52.52 47.67 95.70 53.61 47.71 95.33 3 0 1000.00 -999 ? >ALA~E 91 49.15 49.88 94.31 48.50 51.18 94.80 48.83 50.53 94.55 2 0 1000.00 -999 ? >THR~E 92 50.43 50.43 90.79 52.15 51.69 90.98 51.29 51.06 90.88 2 0 1000.00 -999 ? >ASP~E 93 52.38 45.98 91.51 54.37 46.57 90.88 53.37 46.27 91.20 2 0 1000.00 -999 ? >MET~E 94 47.83 45.68 92.18 46.84 46.64 96.12 47.34 46.16 94.15 2 0 1000.00 -999 ? >LEU~E 95 46.51 49.10 89.26 44.96 50.29 88.58 45.74 49.70 88.92 3 0 1000.00 -999 ? >GLU~E 96 50.80 45.65 85.32 52.93 45.48 85.41 51.86 45.56 85.36 2 0 1000.00 -999 ? >ASP~E 97 48.26 42.04 89.14 50.29 41.32 89.19 49.28 41.68 89.16 2 0 1000.00 -999 ? >SER~E 98 44.12 43.24 87.88 43.80 44.17 90.05 43.96 43.71 88.97 2 0 1000.00 -999 ? >VAL~E 99 43.90 44.74 84.49 44.10 46.75 83.69 44.00 45.75 84.09 3 0 1000.00 -999 ? >VAL~E 100 45.98 42.04 82.81 48.07 41.71 82.31 47.03 41.87 82.56 3 0 1000.00 -999 ? >ARG~E 101 46.26 38.57 87.75 48.98 38.27 89.22 47.62 38.42 88.48 2 0 1000.00 -999 ? >ALA~E 102 40.83 40.82 83.75 40.42 42.22 84.07 40.63 41.52 83.91 2 0 1000.00 -999 ? >PHE~E 103 42.51 42.99 79.10 41.87 45.62 78.56 42.19 44.30 78.83 3 0 1000.00 -999 ? >GLU~E 104 45.45 37.20 80.69 47.12 36.87 81.99 46.29 37.03 81.34 2 0 1000.00 -999 ? >ASP~E 105 39.37 36.16 83.80 40.85 35.60 85.26 40.11 35.88 84.53 2 0 1000.00 -999 ? >SER.E 106 37.56 37.85 79.93 38.60 39.02 78.09 38.08 38.44 79.01 2 0 1000.00 -999 ? >GLY.E 107 37.47 35.38 77.08 37.57 36.20 77.07 37.52 35.79 77.07 1 0 1000.00 -999 ? >LYS.E 108 37.49 38.48 74.80 31.78 38.97 74.63 34.64 38.73 74.72 2 0 1000.00 -999 ? >ILE^E 109 41.76 40.26 74.35 42.67 41.13 74.81 42.21 40.69 74.58 3 0 1000.00 -999 ? >ALA^E 110 43.55 36.01 73.56 43.23 34.78 72.74 43.39 35.40 73.15 2 0 1000.00 -999 ? >ALA^E 111 46.72 38.07 73.33 47.35 38.26 72.01 47.03 38.17 72.67 2 0 1000.00 -999 ? >VAL^E 112 47.34 40.38 76.33 46.03 40.68 78.09 46.69 40.53 77.21 3 0 1000.00 -999 ? >ALA^E 113 50.75 40.77 77.96 51.67 40.05 76.95 51.21 40.41 77.45 2 0 1000.00 -999 ? >ARG.E 114 53.13 41.56 83.35 50.97 40.04 84.87 52.05 40.80 84.11 2 0 1000.00 -999 ? >SER.E 121 51.59 44.04 70.12 51.79 46.01 71.54 51.69 45.03 70.83 2 0 1000.00 -999 ? >ASP.E 122 47.69 45.73 67.72 47.99 44.07 66.47 47.84 44.90 67.10 2 0 1000.00 -999 ? >TYR^E 123 45.47 48.69 70.13 44.01 49.16 67.82 44.74 48.92 68.98 3 0 1000.00 -999 ? >LYS^E 124 49.34 49.59 74.39 54.26 52.88 75.25 51.80 51.23 74.82 2 0 1000.00 -999 ? >LEU^E 125 46.13 49.56 78.03 44.35 49.97 79.35 45.24 49.77 78.69 3 0 1000.00 -999 ? >ALA^E 126 49.01 53.13 79.48 49.89 54.10 78.77 49.45 53.61 79.13 2 0 1000.00 -999 ? >ILE^E 127 46.95 53.03 83.80 46.06 52.16 84.25 46.50 52.59 84.02 3 0 1000.00 -999 ? >ASP^E 128 48.42 58.50 84.54 49.41 59.93 85.75 48.92 59.22 85.14 2 0 1000.00 -999 ? >VAL^E 129 47.27 56.67 88.78 47.29 54.83 89.98 47.28 55.75 89.38 3 0 1000.00 -999 ? >ARG^E 130 44.16 61.67 87.52 43.35 63.48 85.20 43.75 62.57 86.36 2 0 1000.00 -999 ? >ARG^E 131 42.36 61.83 94.56 39.28 61.76 94.16 40.82 61.80 94.36 2 0 1000.00 -999 ? >PHE^E 132 45.22 53.14 94.83 44.53 50.45 94.53 44.88 51.80 94.68 3 0 1000.00 -999 ? >GLU^E 133 42.71 58.75 98.25 43.52 60.68 97.98 43.12 59.71 98.11 2 0 1000.00 -999 ? >SER^E 134 40.72 55.97 101.72 40.07 55.42 103.99 40.39 55.70 102.85 2 0 1000.00 -999 ? >ASP^E 135 38.80 59.87 100.15 38.37 61.98 99.98 38.58 60.92 100.07 2 0 1000.00 -999 ? >TYR.E 136 37.74 59.89 106.86 38.40 57.78 108.58 38.07 58.84 107.72 3 0 1000.00 -999 ? >ALA.E 137 35.71 63.38 102.27 34.98 62.68 101.10 35.35 63.03 101.68 2 0 1000.00 -999 ? >GLY.E 138 34.44 65.43 105.30 34.45 64.59 105.27 34.44 65.01 105.29 1 0 1000.00 -999 ? >GLN.E 139 30.27 62.83 104.50 29.36 61.91 102.86 29.82 62.37 103.68 2 0 1000.00 -999 ? >SER.E 140 32.24 59.95 108.78 31.29 59.27 110.85 31.77 59.61 109.81 2 0 1000.00 -999 ? >LEU.E 141 31.94 55.63 106.84 31.04 54.42 108.43 31.49 55.03 107.63 3 0 1000.00 -999 ? >PRO.E 142 36.87 55.08 105.72 35.36 56.57 105.03 36.12 55.83 105.38 3 0 1000.00 -999 ? >ALA^E 143 35.40 55.88 100.74 34.79 56.86 99.80 35.09 56.37 100.27 2 0 1000.00 -999 ? >ALA^E 144 37.99 53.71 98.98 38.02 52.20 98.86 38.01 52.95 98.92 2 0 1000.00 -999 ? >THR^E 145 38.89 55.96 96.07 38.23 57.97 96.44 38.56 56.96 96.25 2 0 1000.00 -999 ? >ILE^E 146 40.76 53.83 92.25 41.31 52.49 92.04 41.03 53.16 92.14 3 0 1000.00 -999 ? >GLU^E 147 41.01 60.28 89.38 41.01 62.34 90.00 41.01 61.31 89.69 2 0 1000.00 -999 ? >LEU^E 148 43.65 55.69 86.91 42.53 53.99 86.24 43.09 54.84 86.57 3 0 1000.00 -999 ? >ASN^E 149 44.57 59.56 83.06 44.31 60.25 81.07 44.44 59.90 82.06 2 0 1000.00 -999 ? >ALA^E 150 44.15 55.68 80.65 43.23 54.47 80.71 43.69 55.08 80.68 2 0 1000.00 -999 ? >LYS^E 151 45.60 56.13 77.14 49.33 60.87 78.82 47.47 58.50 77.98 2 0 1000.00 -999 ? >LEU^E 152 43.78 52.95 74.01 43.50 50.88 73.34 43.64 51.91 73.68 3 0 1000.00 -999 ? >LEU^E 153 49.31 54.26 72.26 50.18 55.89 73.37 49.74 55.07 72.81 3 0 1000.00 -999 ? >HIS^E 154 47.79 51.77 66.08 48.24 50.59 64.41 48.02 51.18 65.25 3 0 1000.00 -999 ? >SER.E 155 51.92 50.99 68.87 51.41 48.71 69.50 51.66 49.85 69.19 2 0 1000.00 -999 ? >SER.E 156 52.94 51.15 65.12 52.12 49.77 63.28 52.53 50.46 64.20 2 0 1000.00 -999 ? >ASP.E 157 50.97 55.51 64.68 50.00 54.84 62.88 50.49 55.17 63.78 2 0 1000.00 -999 ? >GLN.E 158 55.26 55.27 69.05 57.23 56.13 69.48 56.25 55.70 69.26 2 0 1000.00 -999 ? >ARG^E 159 46.89 57.04 64.65 44.68 54.97 65.14 45.79 56.01 64.90 2 0 1000.00 -999 ? >VAL^E 160 46.72 58.10 70.50 47.00 59.41 72.26 46.86 58.76 71.38 3 0 1000.00 -999 ? >VAL^E 161 43.33 56.53 69.83 42.86 54.51 69.18 43.10 55.52 69.51 3 0 1000.00 -999 ? >ALA^E 162 41.55 57.66 73.02 40.18 56.99 73.07 40.86 57.32 73.05 2 0 1000.00 -999 ? >SER^E 163 41.98 59.01 76.49 43.78 60.60 76.38 42.88 59.80 76.43 2 0 1000.00 -999 ? >ARG^E 164 36.07 56.97 79.79 34.34 56.60 77.20 35.20 56.78 78.49 2 0 1000.00 -999 ? >THR^E 165 39.78 59.42 83.21 40.32 61.18 84.30 40.05 60.30 83.76 2 0 1000.00 -999 ? >PHE^E 166 38.21 54.91 83.98 37.72 54.06 81.37 37.97 54.48 82.67 3 0 1000.00 -999 ? >THR^E 167 36.98 57.52 89.07 37.00 59.62 89.54 36.99 58.57 89.31 2 0 1000.00 -999 ? >VAL^E 168 35.52 55.03 91.52 35.25 52.91 90.96 35.38 53.97 91.24 3 0 1000.00 -999 ? >ALA^E 169 34.60 55.73 95.13 34.22 57.15 95.55 34.41 56.44 95.34 2 0 1000.00 -999 ? >ARG^E 170 31.84 51.18 94.82 31.08 48.40 93.65 31.46 49.79 94.24 2 0 1000.00 -999 ? >PRO^E 171 29.91 53.54 99.86 32.17 53.58 100.03 31.04 53.56 99.95 3 0 1000.00 -999 ? >SER.E 172 33.48 51.71 103.59 35.12 50.92 105.10 34.30 51.31 104.34 2 0 1000.00 -999 ? >SER.E 173 31.13 49.95 105.98 31.60 47.67 106.42 31.37 48.81 106.20 2 0 1000.00 -999 ? >SER.E 174 33.25 50.90 108.99 34.61 49.33 110.30 33.93 50.12 109.64 2 0 1000.00 -999 ? >THR.E 175 36.36 52.80 110.05 37.01 54.02 111.75 36.68 53.41 110.90 2 0 1000.00 -999 ? >ASP~E 176 38.11 48.30 111.04 37.23 48.46 113.00 37.67 48.38 112.02 2 0 1000.00 -999 ? >THR~E 177 41.26 48.93 107.98 43.17 48.94 108.98 42.22 48.94 108.48 2 0 1000.00 -999 ? >ALA~E 178 39.96 45.43 107.06 39.65 44.26 107.98 39.80 44.84 107.52 2 0 1000.00 -999 ? >ALA~E 179 36.75 47.21 106.08 35.77 47.91 107.02 36.26 47.56 106.55 2 0 1000.00 -999 ? >VAL~E 180 38.62 49.85 104.07 39.61 51.77 104.56 39.12 50.81 104.31 3 0 1000.00 -999 ? >ALA~E 181 40.60 47.13 102.36 41.57 46.17 103.01 41.09 46.65 102.69 2 0 1000.00 -999 ? >ALA~E 182 37.32 45.37 101.51 36.25 44.87 102.49 36.78 45.12 102.00 2 0 1000.00 -999 ? >ALA~E 183 36.09 48.63 100.02 35.94 49.94 100.76 36.01 49.29 100.39 2 0 1000.00 -999 ? >PHE~E 184 41.19 50.22 98.66 42.20 52.79 99.00 41.70 51.50 98.83 3 0 1000.00 -999 ? >GLU~E 185 38.40 42.78 96.54 37.97 41.08 97.71 38.19 41.93 97.13 2 0 1000.00 -999 ? >GLN~E 186 33.37 46.09 97.15 31.87 46.93 98.47 32.62 46.51 97.81 2 0 1000.00 -999 ? >ALA~E 187 36.73 49.80 93.80 37.37 50.90 94.61 37.05 50.35 94.20 2 0 1000.00 -999 ? >LEU~E 188 40.58 46.86 92.69 42.73 47.16 92.42 41.65 47.01 92.55 3 0 1000.00 -999 ? >THR~E 189 36.87 45.47 90.68 35.95 43.59 91.41 36.41 44.53 91.04 2 0 1000.00 -999 ? >GLN~E 190 32.60 50.18 89.51 31.30 51.62 90.72 31.95 50.90 90.11 2 0 1000.00 -999 ? >VAL~E 191 37.52 50.39 87.88 39.37 51.49 88.24 38.45 50.94 88.06 3 0 1000.00 -999 ? >THR~E 192 39.07 47.30 86.17 40.46 45.79 86.80 39.77 46.54 86.48 2 0 1000.00 -999 ? >THR~E 193 35.71 46.25 84.67 33.92 45.48 85.54 34.82 45.86 85.10 2 0 1000.00 -999 ? >GLU~E 194 33.63 51.12 84.69 33.45 52.76 86.05 33.54 51.94 85.37 2 0 1000.00 -999 ? >LEU~E 195 40.12 49.63 82.74 41.56 51.20 83.25 40.84 50.41 83.00 3 0 1000.00 -999 ? >VAL~E 196 38.50 46.31 80.24 38.97 44.35 80.90 38.73 45.33 80.57 3 0 1000.00 -999 ? >GLY~E 197 35.21 47.29 78.58 35.93 47.66 78.62 35.57 47.48 78.60 1 0 1000.00 -999 ? >TRP~E 198 36.61 53.96 76.96 40.49 54.56 76.83 38.55 54.26 76.89 3 0 1000.00 -999 ? >THR~E 199 39.90 49.05 75.98 41.84 48.42 76.71 40.87 48.73 76.34 2 0 1000.00 -999 ? >LEU~E 200 37.36 45.17 74.52 38.06 43.34 75.44 37.71 44.25 74.98 3 0 1000.00 -999 ? >ILE~E 201 34.26 49.30 73.37 32.98 49.61 73.77 33.62 49.46 73.57 3 0 1000.00 -999 ? >THR~E 202 37.67 51.61 71.83 38.25 53.33 73.01 37.96 52.47 72.42 2 0 1000.00 -999 ? >GLY~E 203 40.33 49.30 70.37 39.55 49.33 70.15 39.94 49.31 70.26 1 0 1000.00 -999 ? >GLN~E 204 36.08 45.64 67.65 37.51 44.36 66.65 36.79 45.00 67.15 2 0 1000.00 -999 ? >GLN~E 205 34.22 51.54 67.72 33.26 52.63 69.33 33.74 52.09 68.53 2 0 1000.00 -999 ? >ASP~E 206 41.16 51.83 66.81 42.68 53.01 65.97 41.92 52.42 66.39 2 0 1000.00 -999 ? >SER~E 207 40.78 48.18 64.24 41.48 45.82 64.46 41.13 47.00 64.35 2 0 1000.00 -999 ? >GLN~E 208 36.17 47.21 62.42 34.33 47.01 63.50 35.25 47.11 62.96 2 0 1000.00 -999 ? >THR.E 209 39.44 52.07 60.13 38.69 53.47 61.69 39.06 52.77 60.91 2 0 1000.00 -999 ? >ALA.F 32 64.18 27.56 110.49 64.70 28.80 109.71 64.44 28.18 110.10 2 0 1000.00 -999 ? >THR^F 33 62.75 24.55 108.61 61.57 22.89 109.24 62.16 23.72 108.92 2 0 1000.00 -999 ? >ILE^F 34 64.87 24.45 104.24 64.97 25.95 103.92 64.92 25.20 104.08 3 0 1000.00 -999 ? >TYR^F 35 58.99 22.49 104.28 58.13 22.16 106.93 58.56 22.33 105.61 3 0 1000.00 -999 ? >ALA.F 36 62.20 20.86 99.53 63.61 20.29 99.70 62.90 20.57 99.62 2 0 1000.00 -999 ? >PRO.F 37 58.06 21.34 98.10 59.70 19.83 97.99 58.88 20.59 98.05 3 0 1000.00 -999 ? >THR.F 38 60.09 16.63 95.10 61.29 14.83 95.47 60.69 15.73 95.29 2 0 1000.00 -999 ? >VAL.F 39 58.18 16.91 91.88 57.07 18.68 91.30 57.63 17.79 91.59 3 0 1000.00 -999 ? >ARG.F 40 60.75 11.51 91.23 63.65 12.80 91.19 62.20 12.15 91.21 2 0 1000.00 -999 ? >VAL.F 41 55.63 13.97 86.60 54.90 15.65 85.40 55.26 14.81 86.00 3 0 1000.00 -999 ? >THR.F 42 54.58 10.61 85.11 53.96 8.86 86.25 54.27 9.74 85.68 2 0 1000.00 -999 ? >PRO.F 43 56.22 10.01 81.16 54.45 11.10 81.99 55.33 10.56 81.58 3 0 1000.00 -999 ? >ASN.F 44 49.69 11.71 79.72 47.81 11.03 79.01 48.75 11.37 79.36 2 0 1000.00 -999 ? >PRO.F 45 50.06 6.76 78.35 50.98 8.57 77.32 50.52 7.66 77.84 3 0 1000.00 -999 ? >ALA.F 46 48.41 10.46 74.77 47.00 10.78 75.33 47.70 10.62 75.05 2 0 1000.00 -999 ? >TRP.F 47 49.92 14.72 77.33 52.24 15.03 80.52 51.08 14.87 78.92 3 0 1000.00 -999 ? >PRO.F 48 51.50 16.27 71.62 52.05 14.11 72.00 51.78 15.19 71.81 3 0 1000.00 -999 ? >GLN.F 49 58.24 12.29 70.47 59.06 10.39 70.79 58.65 11.34 70.63 2 0 1000.00 -999 ? >VAL^F 50 57.32 16.70 69.18 56.57 18.20 70.67 56.94 17.45 69.93 3 0 1000.00 -999 ? >SER^F 51 60.33 17.63 67.12 59.71 18.20 64.90 60.02 17.91 66.01 2 0 1000.00 -999 ? >TRP^F 52 56.73 21.18 67.76 56.27 22.31 71.50 56.50 21.74 69.63 3 0 1000.00 -999 ? >GLN^F 53 64.45 22.62 69.32 66.58 23.05 69.27 65.52 22.84 69.29 2 0 1000.00 -999 ? >LEU^F 54 59.85 24.06 74.32 58.23 24.58 75.63 59.04 24.32 74.98 3 0 1000.00 -999 ? >LEU^F 55 62.54 29.16 75.14 63.54 30.80 76.28 63.04 29.98 75.71 3 0 1000.00 -999 ? >VAL^F 56 60.61 27.90 79.26 60.00 26.30 80.63 60.31 27.10 79.94 3 0 1000.00 -999 ? >ALA.F 57 60.66 31.56 80.41 59.72 32.61 79.85 60.19 32.08 80.13 2 0 1000.00 -999 ? >LYS.F 58 61.29 32.79 84.00 67.30 34.34 86.04 64.30 33.57 85.02 2 0 1000.00 -999 ? >PRO.F 59 58.31 30.58 86.14 58.48 32.65 85.35 58.40 31.61 85.75 3 0 1000.00 -999 ? >SER^F 60 56.60 36.32 86.45 54.76 36.97 84.93 55.68 36.65 85.69 2 0 1000.00 -999 ? >ALA^F 61 55.09 37.13 89.89 55.35 35.84 90.63 55.22 36.49 90.26 2 0 1000.00 -999 ? >ALA.F 62 54.58 39.51 92.85 53.28 39.60 93.69 53.93 39.56 93.27 2 0 1000.00 -999 ? >ARG.F 63 59.62 43.14 95.87 61.69 44.30 93.83 60.66 43.72 94.85 2 0 1000.00 -999 ? >ILE.F 64 54.42 38.67 98.79 53.27 38.72 99.54 53.85 38.70 99.16 3 0 1000.00 -999 ? >ILE.F 65 54.21 35.01 94.55 53.14 34.42 93.85 53.67 34.72 94.20 3 0 1000.00 -999 ? >ASP.F 66 59.02 36.57 93.18 60.86 36.29 92.18 59.94 36.43 92.68 2 0 1000.00 -999 ? >SER.F 67 60.27 34.58 97.52 59.60 35.30 99.73 59.94 34.94 98.63 2 0 1000.00 -999 ? >PRO.F 68 63.30 32.65 100.26 61.25 32.24 99.33 62.27 32.44 99.79 3 0 1000.00 -999 ? >ARG^F 69 59.51 34.48 104.86 60.05 37.19 106.41 59.78 35.83 105.64 2 0 1000.00 -999 ? >ILE^F 70 55.53 29.05 103.08 55.61 27.59 103.01 55.57 28.32 103.05 3 0 1000.00 -999 ? >ASN^F 71 52.12 33.14 100.68 53.68 34.35 99.89 52.90 33.75 100.28 2 0 1000.00 -999 ? >VAL^F 72 49.35 31.72 103.92 49.34 31.26 106.02 49.35 31.49 104.97 3 0 1000.00 -999 ? >ARG^F 73 43.47 34.18 100.94 44.77 36.20 99.01 44.12 35.19 99.97 2 0 1000.00 -999 ? >PRO.F 74 45.75 34.44 108.03 44.56 33.04 106.71 45.15 33.74 107.37 3 0 1000.00 -999 ? >THR.F 75 41.14 35.02 106.33 40.95 36.33 108.06 41.04 35.68 107.20 2 0 1000.00 -999 ? >PRO.F 76 38.05 35.02 103.48 40.14 35.64 103.47 39.10 35.33 103.47 3 0 1000.00 -999 ? >GLY.F 77 41.44 39.30 102.42 41.84 38.88 102.95 41.64 39.09 102.68 1 0 1000.00 -999 ? >GLU^F 78 45.57 38.96 106.70 45.12 39.50 108.75 45.35 39.23 107.73 2 0 1000.00 -999 ? >LEU^F 79 49.03 37.80 102.39 49.10 36.57 100.61 49.06 37.18 101.50 3 0 1000.00 -999 ? >GLN^F 80 49.35 36.77 108.17 48.65 36.10 110.05 49.00 36.43 109.11 2 0 1000.00 -999 ? >VAL^F 81 53.87 33.93 106.08 55.58 35.30 105.80 54.72 34.62 105.94 3 0 1000.00 -999 ? >TYR^F 82 53.39 28.76 107.34 50.94 27.65 106.63 52.16 28.21 106.99 3 0 1000.00 -999 ? >HIS^F 83 56.79 34.19 111.50 56.17 36.13 110.94 56.48 35.16 111.22 3 0 1000.00 -999 ? >GLY^F 84 60.12 29.40 111.30 59.72 29.47 110.61 59.92 29.43 110.96 1 0 1000.00 -999 ? >ALA^F 85 59.67 27.83 107.84 58.35 27.10 107.83 59.01 27.47 107.84 2 0 1000.00 -999 ? >GLY^F 86 60.58 28.50 104.20 60.72 27.70 104.38 60.65 28.10 104.29 1 0 1000.00 -999 ? >TRP^F 87 58.10 28.51 99.20 56.42 25.00 99.85 57.26 26.75 99.52 3 0 1000.00 -999 ? >ALA.F 88 64.39 25.59 99.55 64.60 24.19 99.01 64.49 24.89 99.28 2 0 1000.00 -999 ? >GLN.F 89 63.91 26.10 95.11 64.23 25.27 93.15 64.07 25.69 94.13 2 0 1000.00 -999 ? >PRO~F 90 63.63 32.18 95.00 62.33 30.52 95.74 62.98 31.35 95.37 3 0 1000.00 -999 ? >ALA~F 91 58.33 29.57 94.54 56.98 29.96 95.13 57.65 29.77 94.84 2 0 1000.00 -999 ? >THR~F 92 58.70 31.02 91.01 59.21 33.17 91.00 58.95 32.09 91.01 2 0 1000.00 -999 ? >ASP~F 93 63.27 29.25 91.42 64.06 31.19 91.01 63.66 30.22 91.22 2 0 1000.00 -999 ? >MET~F 94 60.35 25.79 92.16 59.08 25.49 96.19 59.71 25.64 94.18 2 0 1000.00 -999 ? >LEU~F 95 56.77 27.20 89.29 54.69 26.78 88.78 55.73 26.99 89.03 3 0 1000.00 -999 ? >GLU~F 96 62.20 28.02 85.36 63.93 29.32 85.43 63.06 28.67 85.39 2 0 1000.00 -999 ? >ASP~F 97 63.24 23.65 89.00 65.12 24.70 89.01 64.18 24.17 89.01 2 0 1000.00 -999 ? >SER~F 98 59.39 21.60 88.04 58.25 21.14 89.99 58.82 21.37 89.02 2 0 1000.00 -999 ? >VAL~F 99 58.29 22.63 84.62 56.97 24.12 83.74 57.63 23.38 84.18 3 0 1000.00 -999 ? >VAL~F 100 61.65 22.20 82.79 63.43 23.46 82.36 62.54 22.83 82.58 3 0 1000.00 -999 ? >ARG~F 101 64.66 19.63 87.68 66.31 21.37 89.60 65.49 20.50 88.64 2 0 1000.00 -999 ? >ALA~F 102 59.03 17.59 83.79 57.73 18.10 84.34 58.38 17.84 84.07 2 0 1000.00 -999 ? >PHE~F 103 58.55 20.43 79.14 56.34 22.01 78.62 57.44 21.22 78.88 3 0 1000.00 -999 ? >GLU~F 104 64.96 18.32 80.63 66.10 19.40 82.10 65.53 18.86 81.37 2 0 1000.00 -999 ? >ASP~F 105 61.80 13.21 83.34 63.63 13.86 84.30 62.71 13.54 83.82 2 0 1000.00 -999 ? >SER.F 106 58.61 13.13 79.75 58.47 14.90 78.15 58.54 14.02 78.95 2 0 1000.00 -999 ? >GLY.F 107 60.39 11.57 76.80 59.82 12.22 76.77 60.11 11.90 76.79 1 0 1000.00 -999 ? >LYS.F 108 58.17 13.75 74.65 54.40 9.93 74.54 56.29 11.84 74.59 2 0 1000.00 -999 ? >ILE^F 109 59.86 17.94 74.27 59.75 19.14 74.68 59.81 18.54 74.47 3 0 1000.00 -999 ? >ALA^F 110 64.19 16.29 72.97 64.74 15.60 71.67 64.46 15.95 72.32 2 0 1000.00 -999 ? >ALA^F 111 64.83 20.08 73.28 65.25 20.65 71.96 65.04 20.36 72.62 2 0 1000.00 -999 ? >VAL^F 112 63.68 22.21 76.31 62.09 21.36 77.53 62.88 21.79 76.92 3 0 1000.00 -999 ? >ALA^F 113 65.74 25.04 77.73 66.61 25.52 76.60 66.18 25.28 77.16 2 0 1000.00 -999 ? >ARG.F 114 66.57 26.83 83.87 66.73 23.90 84.73 66.65 25.37 84.30 2 0 1000.00 -999 ? >ILE.F 115 66.67 32.61 79.77 65.44 33.57 79.43 66.06 33.09 79.60 3 0 1000.00 -999 ? >ILE.F 119 68.58 26.51 73.17 68.34 24.98 73.51 68.46 25.75 73.34 3 0 1000.00 -999 ? >ARG.F 120 67.13 29.32 65.55 66.55 30.30 62.69 66.84 29.81 64.12 2 0 1000.00 -999 ? >SER.F 121 63.29 28.20 70.32 62.46 30.25 71.41 62.88 29.23 70.87 2 0 1000.00 -999 ? >ASP.F 122 59.99 25.99 67.59 61.59 25.22 66.49 60.79 25.60 67.04 2 0 1000.00 -999 ? >TYR^F 123 55.99 26.80 69.91 54.69 26.24 67.47 55.34 26.52 68.69 3 0 1000.00 -999 ? >LYS^F 124 58.36 29.93 74.34 59.46 35.87 76.11 58.91 32.90 75.22 2 0 1000.00 -999 ? >LEU^F 125 56.06 27.68 78.00 54.78 26.86 79.56 55.42 27.27 78.78 3 0 1000.00 -999 ? >ALA^F 126 55.52 32.12 79.69 55.32 33.41 79.00 55.42 32.76 79.34 2 0 1000.00 -999 ? >ILE^F 127 54.38 30.34 83.92 54.33 29.06 84.38 54.36 29.70 84.15 3 0 1000.00 -999 ? >ASP^F 128 51.73 35.40 84.87 51.42 36.90 86.33 51.57 36.15 85.60 2 0 1000.00 -999 ? >VAL^F 129 51.90 33.03 89.01 53.31 31.60 90.05 52.60 32.32 89.53 3 0 1000.00 -999 ? >ARG^F 130 45.96 34.19 87.93 44.02 35.02 85.68 44.99 34.61 86.81 2 0 1000.00 -999 ? >ARG^F 131 44.94 33.02 94.94 42.67 31.01 94.55 43.80 32.01 94.74 2 0 1000.00 -999 ? >PHE^F 132 53.17 29.12 94.92 54.69 26.78 94.86 53.93 27.95 94.89 3 0 1000.00 -999 ? >GLU^F 133 47.64 31.14 98.46 46.78 33.06 98.17 47.21 32.10 98.31 2 0 1000.00 -999 ? >SER^F 134 48.26 27.90 101.91 48.18 26.98 104.14 48.22 27.44 103.03 2 0 1000.00 -999 ? >ASP^F 135 43.94 29.08 100.32 42.21 30.41 100.17 43.07 29.74 100.24 2 0 1000.00 -999 ? >TYR.F 136 43.31 28.69 106.96 45.31 27.70 108.61 44.31 28.20 107.78 3 0 1000.00 -999 ? >ALA.F 137 39.15 29.50 102.61 39.25 28.59 101.36 39.20 29.05 101.99 2 0 1000.00 -999 ? >GLY.F 138 36.80 29.58 105.69 37.33 29.01 105.49 37.06 29.30 105.59 1 0 1000.00 -999 ? >GLN.F 139 37.08 24.78 104.53 35.60 23.47 105.36 36.34 24.13 104.95 2 0 1000.00 -999 ? >SER.F 140 39.73 24.50 109.42 39.42 22.90 111.18 39.58 23.70 110.30 2 0 1000.00 -999 ? >LEU.F 141 42.43 21.21 107.07 42.40 19.46 108.32 42.41 20.34 107.70 3 0 1000.00 -999 ? >PRO.F 142 46.00 24.87 105.87 43.92 24.44 105.21 44.96 24.65 105.54 3 0 1000.00 -999 ? >ALA^F 143 44.54 23.99 100.88 43.37 24.28 99.96 43.95 24.14 100.42 2 0 1000.00 -999 ? >ALA^F 144 47.96 24.36 99.25 49.09 23.40 99.16 48.53 23.88 99.20 2 0 1000.00 -999 ? >THR^F 145 46.94 26.48 96.32 44.99 27.39 96.69 45.97 26.94 96.51 2 0 1000.00 -999 ? >ILE^F 146 49.56 26.43 92.42 50.91 26.04 92.25 50.24 26.23 92.33 3 0 1000.00 -999 ? >GLU^F 147 44.88 31.19 89.62 43.61 32.80 90.32 44.24 31.99 89.97 2 0 1000.00 -999 ? >LEU^F 148 50.04 29.94 87.23 50.54 27.94 86.50 50.29 28.94 86.86 3 0 1000.00 -999 ? >ASN^F 149 47.86 33.28 83.25 47.23 33.46 81.21 47.54 33.37 82.24 2 0 1000.00 -999 ? >ALA^F 150 50.37 30.25 80.92 50.41 28.77 80.93 50.39 29.51 80.92 2 0 1000.00 -999 ? >LYS^F 151 51.00 31.62 77.44 48.87 36.20 79.05 49.94 33.91 78.25 2 0 1000.00 -999 ? >LEU^F 152 51.84 28.37 74.10 52.88 26.60 73.29 52.36 27.48 73.69 3 0 1000.00 -999 ? >LEU^F 153 55.04 33.16 72.66 54.48 35.06 73.51 54.76 34.11 73.09 3 0 1000.00 -999 ? >HIS^F 154 55.63 30.33 66.33 56.72 29.49 64.75 56.17 29.91 65.54 3 0 1000.00 -999 ? >SER.F 155 59.11 32.77 68.87 60.28 31.32 70.46 59.70 32.04 69.66 2 0 1000.00 -999 ? >SER.F 156 59.61 34.03 65.19 59.78 32.18 63.61 59.69 33.10 64.40 2 0 1000.00 -999 ? >ASP.F 157 55.44 36.01 64.08 54.69 34.01 64.25 55.07 35.01 64.17 2 0 1000.00 -999 ? >GLN.F 158 58.09 38.56 68.48 58.25 40.61 67.74 58.17 39.59 68.11 2 0 1000.00 -999 ? >ARG^F 159 50.87 33.86 65.33 50.98 30.81 65.40 50.93 32.33 65.37 2 0 1000.00 -999 ? >VAL^F 160 50.31 34.15 71.15 49.29 34.96 72.93 49.80 34.55 72.04 3 0 1000.00 -999 ? >VAL^F 161 49.47 30.59 70.10 50.57 28.73 69.64 50.02 29.66 69.87 3 0 1000.00 -999 ? >ALA^F 162 47.22 30.19 73.22 46.92 28.72 73.17 47.07 29.46 73.19 2 0 1000.00 -999 ? >SER^F 163 46.74 31.19 76.82 46.21 33.22 78.00 46.48 32.21 77.41 2 0 1000.00 -999 ? >ARG^F 164 44.10 25.50 79.60 41.53 23.78 79.44 42.81 24.64 79.52 2 0 1000.00 -999 ? >THR^F 165 44.59 29.65 83.45 43.77 31.31 84.43 44.18 30.48 83.94 2 0 1000.00 -999 ? >PHE^F 166 46.86 25.53 83.90 47.19 24.69 81.27 47.02 25.11 82.58 3 0 1000.00 -999 ? >THR^F 167 44.16 26.24 89.16 42.75 27.92 89.60 43.46 27.08 89.38 2 0 1000.00 -999 ? >VAL^F 168 45.03 23.60 91.79 46.36 21.92 91.17 45.70 22.76 91.48 3 0 1000.00 -999 ? >ALA^F 169 43.99 23.45 95.48 42.74 24.25 95.77 43.37 23.85 95.63 2 0 1000.00 -999 ? >ARG^F 170 45.45 18.54 95.07 46.55 15.94 93.86 46.00 17.24 94.46 2 0 1000.00 -999 ? >PRO^F 171 42.09 18.92 100.40 43.80 20.30 100.56 42.94 19.61 100.48 3 0 1000.00 -999 ? >SER.F 172 46.23 19.56 103.93 48.08 19.83 105.30 47.15 19.70 104.62 2 0 1000.00 -999 ? >SER.F 173 45.89 16.64 106.38 48.08 15.65 106.11 46.98 16.14 106.24 2 0 1000.00 -999 ? >SER.F 174 46.72 19.04 109.18 48.88 18.67 110.22 47.80 18.86 109.70 2 0 1000.00 -999 ? >THR.F 175 47.74 22.48 110.20 47.07 23.60 111.93 47.40 23.04 111.06 2 0 1000.00 -999 ? >ASP~F 176 52.25 20.57 111.11 51.28 19.46 112.69 51.77 20.01 111.90 2 0 1000.00 -999 ? >THR~F 177 53.79 23.24 107.94 55.19 24.60 108.94 54.49 23.92 108.44 2 0 1000.00 -999 ? >ALA~F 178 55.08 19.69 107.13 55.67 18.61 108.03 55.38 19.15 107.58 2 0 1000.00 -999 ? >ALA~F 179 51.55 18.57 106.16 50.38 18.43 107.12 50.97 18.50 106.64 2 0 1000.00 -999 ? >VAL~F 180 51.09 21.88 104.25 50.29 23.92 104.75 50.69 22.90 104.50 3 0 1000.00 -999 ? >ALA~F 181 54.48 21.41 102.51 55.86 21.41 103.13 55.17 21.41 102.82 2 0 1000.00 -999 ? >ALA~F 182 53.43 17.86 101.55 53.10 16.72 102.46 53.26 17.29 102.00 2 0 1000.00 -999 ? >ALA~F 183 50.16 19.29 100.14 48.99 19.99 100.86 49.58 19.64 100.50 2 0 1000.00 -999 ? >PHE~F 184 52.52 24.19 98.83 51.41 26.78 99.09 51.97 25.48 98.96 3 0 1000.00 -999 ? >GLU~F 185 55.76 17.07 96.52 56.85 15.71 97.64 56.30 16.39 97.08 2 0 1000.00 -999 ? >GLN~F 186 49.93 15.71 97.10 48.27 15.31 98.45 49.10 15.51 97.77 2 0 1000.00 -999 ? >ALA~F 187 49.69 20.82 94.06 49.42 22.08 94.91 49.56 21.45 94.49 2 0 1000.00 -999 ? >LEU~F 188 54.29 21.64 92.90 55.65 23.14 92.13 54.97 22.39 92.52 3 0 1000.00 -999 ? >THR~F 189 52.91 18.08 90.64 53.57 16.12 91.42 53.24 17.10 91.03 2 0 1000.00 -999 ? >GLN~F 190 46.75 18.46 89.38 45.00 18.58 90.69 45.87 18.52 90.03 2 0 1000.00 -999 ? >VAL~F 191 49.78 21.90 87.87 50.29 24.00 88.41 50.04 22.95 88.14 3 0 1000.00 -999 ? >THR~F 192 53.14 20.89 86.31 55.24 20.72 86.87 54.19 20.80 86.59 2 0 1000.00 -999 ? >THR~F 193 51.47 17.84 84.77 50.86 15.91 85.44 51.16 16.87 85.10 2 0 1000.00 -999 ? >GLU~F 194 46.74 19.74 84.92 45.27 20.75 86.05 46.00 20.25 85.48 2 0 1000.00 -999 ? >LEU~F 195 52.20 23.38 82.71 52.08 25.39 83.44 52.14 24.38 83.08 3 0 1000.00 -999 ? >VAL~F 196 53.39 19.98 80.19 55.07 18.69 80.82 54.23 19.34 80.51 3 0 1000.00 -999 ? >GLY~F 197 50.37 18.21 78.60 50.64 18.98 78.58 50.51 18.59 78.59 1 0 1000.00 -999 ? >TRP~F 198 46.39 23.72 77.29 48.64 26.92 76.86 47.51 25.32 77.08 3 0 1000.00 -999 ? >THR~F 199 52.08 22.75 76.12 53.75 23.79 76.98 52.92 23.27 76.55 2 0 1000.00 -999 ? >LEU~F 200 53.07 18.16 74.74 55.05 17.52 75.53 54.06 17.84 75.13 3 0 1000.00 -999 ? >ILE~F 201 48.11 18.91 73.52 47.08 18.09 73.94 47.60 18.50 73.73 3 0 1000.00 -999 ? >THR~F 202 48.81 22.99 71.93 47.74 24.49 73.06 48.28 23.74 72.50 2 0 1000.00 -999 ? >GLY~F 203 52.24 23.76 70.35 51.68 23.13 70.18 51.96 23.45 70.27 1 0 1000.00 -999 ? >GLN~F 204 51.88 18.08 67.64 53.76 17.85 66.55 52.82 17.96 67.10 2 0 1000.00 -999 ? >GLN~F 205 46.29 20.83 67.56 45.32 20.37 69.46 45.81 20.60 68.51 2 0 1000.00 -999 ? >ASP~F 206 50.72 26.21 66.88 51.09 28.11 65.94 50.90 27.16 66.41 2 0 1000.00 -999 ? >SER~F 207 53.09 23.60 64.26 54.30 21.49 64.42 53.69 22.54 64.34 2 0 1000.00 -999 ? >GLN~F 208 51.00 18.93 62.71 49.88 17.54 63.95 50.44 18.23 63.33 2 0 1000.00 -999 ? >THR.F 209 49.53 24.64 60.46 48.27 25.56 62.04 48.90 25.10 61.25 2 0 1000.00 -999 ? >THR.G 33 86.04 21.63 108.43 85.88 19.69 109.37 85.96 20.66 108.90 2 0 1000.00 -999 ? >ILE^G 34 87.46 23.09 104.10 86.56 24.17 103.50 87.01 23.63 103.80 3 0 1000.00 -999 ? >TYR^G 35 84.85 17.38 104.12 84.44 16.47 106.72 84.64 16.93 105.42 3 0 1000.00 -999 ? >ALA.G 36 88.11 18.73 99.30 89.39 19.50 99.24 88.75 19.11 99.27 2 0 1000.00 -999 ? >PRO.G 37 85.10 16.19 97.73 87.35 16.14 97.85 86.23 16.17 97.79 3 0 1000.00 -999 ? >THR.G 38 89.76 14.38 94.74 91.94 14.33 94.98 90.85 14.35 94.86 2 0 1000.00 -999 ? >VAL.G 39 88.17 13.20 91.53 86.09 13.76 91.04 87.13 13.48 91.28 3 0 1000.00 -999 ? >ARG.G 40 93.45 12.41 90.22 94.92 14.87 91.41 94.18 13.64 90.82 2 0 1000.00 -999 ? >VAL.G 41 88.63 9.52 86.24 86.80 10.03 85.33 87.71 9.77 85.79 3 0 1000.00 -999 ? >THR.G 42 90.48 6.63 84.64 90.60 4.95 86.05 90.54 5.79 85.35 2 0 1000.00 -999 ? >PRO.G 43 92.17 7.17 80.61 90.16 6.89 81.55 91.16 7.03 81.08 3 0 1000.00 -999 ? >ASN.G 44 86.40 4.06 79.06 85.64 2.14 78.51 86.02 3.10 78.78 2 0 1000.00 -999 ? >PRO.G 45 90.82 1.10 77.82 89.63 2.77 76.89 90.23 1.93 77.35 3 0 1000.00 -999 ? >ALA.G 46 86.59 2.08 74.46 85.53 1.05 74.92 86.06 1.57 74.69 2 0 1000.00 -999 ? >TRP.G 47 84.19 6.04 76.83 85.75 7.99 79.87 84.97 7.02 78.35 3 0 1000.00 -999 ? >PRO.G 48 83.98 8.41 71.19 85.91 7.28 71.41 84.95 7.85 71.30 3 0 1000.00 -999 ? >GLN.G 49 91.61 10.63 70.33 93.68 10.19 70.20 92.64 10.41 70.26 2 0 1000.00 -999 ? >VAL.G 50 87.85 12.81 68.81 86.22 13.08 70.36 87.03 12.95 69.58 3 0 1000.00 -999 ? >SER.G 51 89.05 15.93 67.10 88.72 15.59 64.75 88.89 15.76 65.93 2 0 1000.00 -999 ? >TRP.G 52 83.92 15.66 67.46 82.98 15.71 71.29 83.45 15.69 69.37 3 0 1000.00 -999 ? >GLN.G 53 88.04 22.58 69.11 88.96 24.47 69.30 88.50 23.52 69.21 2 0 1000.00 -999 ? >LEU^G 54 84.11 19.83 74.19 82.55 19.08 75.49 83.33 19.45 74.84 3 0 1000.00 -999 ? >LEU^G 55 82.07 25.24 75.09 81.76 27.15 76.16 81.92 26.19 75.62 3 0 1000.00 -999 ? >VAL^G 56 82.01 22.89 79.12 82.71 21.24 80.48 82.36 22.06 79.80 3 0 1000.00 -999 ? >ALA.G 57 79.44 25.45 80.38 78.04 25.61 79.84 78.74 25.53 80.11 2 0 1000.00 -999 ? >LYS.G 58 78.90 26.56 84.02 80.54 32.47 84.74 79.72 29.52 84.38 2 0 1000.00 -999 ? >PRO.G 59 78.40 22.69 85.99 77.14 24.40 85.32 77.77 23.55 85.65 3 0 1000.00 -999 ? >SER.G 60 73.17 25.60 86.55 71.80 24.65 84.74 72.48 25.12 85.65 2 0 1000.00 -999 ? >ALA.G 61 71.64 24.94 90.03 72.61 24.23 90.86 72.12 24.58 90.45 2 0 1000.00 -999 ? >ALA.G 62 69.51 26.43 92.82 68.42 25.69 93.50 68.97 26.06 93.16 2 0 1000.00 -999 ? >ARG.G 63 71.77 32.48 94.80 71.57 34.85 92.78 71.67 33.67 93.79 2 0 1000.00 -999 ? >ILE.G 64 69.83 25.35 98.58 69.02 24.39 99.23 69.43 24.87 98.91 3 0 1000.00 -999 ? >ILE.G 65 72.78 22.84 94.59 72.45 21.61 93.89 72.61 22.22 94.24 3 0 1000.00 -999 ? >ASP.G 66 75.00 27.52 93.36 76.51 28.29 92.04 75.76 27.90 92.70 2 0 1000.00 -999 ? >SER.G 67 77.21 26.99 97.73 75.65 26.20 99.48 76.43 26.59 98.60 2 0 1000.00 -999 ? >PRO.G 68 80.67 27.73 100.19 79.48 25.91 99.53 80.07 26.82 99.86 3 0 1000.00 -999 ? >ARG^G 69 76.36 25.65 105.06 76.01 28.28 106.69 76.19 26.96 105.88 2 0 1000.00 -999 ? >ILE^G 70 77.72 19.57 103.04 78.84 18.59 103.02 78.28 19.08 103.03 3 0 1000.00 -999 ? >ASN^G 71 72.38 19.65 100.50 72.58 21.50 99.54 72.48 20.57 100.02 2 0 1000.00 -999 ? >VAL^G 72 71.42 16.81 103.81 71.79 16.38 105.94 71.60 16.60 104.87 3 0 1000.00 -999 ? >ARG^G 73 65.64 14.49 100.64 65.02 16.96 98.88 65.33 15.73 99.76 2 0 1000.00 -999 ? >PRO.G 74 66.94 15.85 107.99 67.10 14.18 106.48 67.02 15.01 107.24 3 0 1000.00 -999 ? >THR.G 75 63.32 13.13 105.96 62.00 13.59 107.67 62.66 13.36 106.81 2 0 1000.00 -999 ? >PRO.G 76 60.99 11.04 102.97 62.11 12.95 103.11 61.55 12.00 103.04 3 0 1000.00 -999 ? >GLY.G 77 60.33 16.55 102.49 60.99 16.49 102.89 60.66 16.52 102.69 1 0 1000.00 -999 ? >GLU.G 78 63.54 19.47 106.54 63.06 19.35 108.61 63.30 19.41 107.58 2 0 1000.00 -999 ? >LEU.G 79 66.93 20.70 102.19 67.82 19.53 100.46 67.38 20.12 101.32 3 0 1000.00 -999 ? >GLN^G 80 68.09 20.31 108.40 67.62 18.79 109.84 67.86 19.55 109.12 2 0 1000.00 -999 ? >VAL^G 81 72.96 21.59 106.08 73.12 23.75 105.74 73.04 22.67 105.91 3 0 1000.00 -999 ? >TYR^G 82 76.28 17.61 107.12 75.40 15.07 106.38 75.84 16.34 106.75 3 0 1000.00 -999 ? >HIS^G 83 74.83 23.47 111.55 72.98 24.26 110.93 73.91 23.87 111.24 3 0 1000.00 -999 ? >GLY^G 84 80.64 22.83 111.18 80.30 22.54 110.52 80.47 22.69 110.85 1 0 1000.00 -999 ? >ALA^G 85 81.40 21.42 107.68 81.17 19.93 107.48 81.29 20.68 107.58 2 0 1000.00 -999 ? >GLY^G 86 81.61 22.86 104.15 82.22 22.32 104.28 81.92 22.59 104.21 1 0 1000.00 -999 ? >TRP^G 87 79.69 21.25 99.12 80.96 17.54 99.71 80.33 19.39 99.42 3 0 1000.00 -999 ? >ALA.G 88 86.25 23.74 99.33 87.51 23.05 98.78 86.88 23.40 99.06 2 0 1000.00 -999 ? >GLN.G 89 85.42 23.87 94.82 86.37 23.79 92.88 85.89 23.83 93.85 2 0 1000.00 -999 ? >PRO~G 90 80.94 27.81 94.89 81.16 25.69 95.70 81.05 26.75 95.29 3 0 1000.00 -999 ? >ALA~G 91 79.08 22.12 94.50 77.77 21.58 94.95 78.43 21.85 94.72 2 0 1000.00 -999 ? >THR~G 92 78.52 23.47 90.96 77.14 25.06 91.04 77.83 24.26 91.00 2 0 1000.00 -999 ? >ASP~G 93 82.95 25.42 91.49 82.17 27.37 91.12 82.56 26.40 91.31 2 0 1000.00 -999 ? >MET~G 94 83.29 20.98 92.10 82.67 19.59 95.99 82.98 20.29 94.05 2 0 1000.00 -999 ? >LEU~G 95 79.83 19.39 89.22 78.60 17.81 88.44 79.21 18.60 88.83 3 0 1000.00 -999 ? >GLU~G 96 83.07 24.05 85.47 82.98 26.16 85.43 83.02 25.11 85.45 2 0 1000.00 -999 ? >ASP~G 97 86.86 21.60 88.87 87.13 23.75 88.95 87.00 22.68 88.91 2 0 1000.00 -999 ? >SER~G 98 85.77 17.36 87.67 85.34 16.86 89.88 85.56 17.11 88.78 2 0 1000.00 -999 ? >VAL~G 99 84.24 17.25 84.26 82.15 17.50 83.53 83.19 17.38 83.89 3 0 1000.00 -999 ? >VAL~G 100 86.66 19.67 82.60 86.92 21.78 82.36 86.79 20.73 82.48 3 0 1000.00 -999 ? >ARG~G 101 90.47 19.80 87.41 90.56 22.25 89.27 90.52 21.02 88.34 2 0 1000.00 -999 ? >ALA~G 102 88.35 14.45 83.26 87.16 13.74 83.90 87.75 14.10 83.58 2 0 1000.00 -999 ? >PHE~G 103 85.85 16.15 78.80 83.16 15.51 78.53 84.51 15.83 78.67 3 0 1000.00 -999 ? >GLU~G 104 91.50 19.34 80.18 91.92 20.92 81.58 91.71 20.13 80.88 2 0 1000.00 -999 ? >ASP~G 105 93.31 13.90 83.14 94.42 15.57 83.99 93.87 14.73 83.56 2 0 1000.00 -999 ? >SER.G 106 91.61 11.29 79.45 89.80 12.09 78.03 90.71 11.69 78.74 2 0 1000.00 -999 ? >GLY.G 107 93.58 11.70 76.23 92.77 11.64 76.27 93.18 11.67 76.25 1 0 1000.00 -999 ? >LYS.G 108 90.48 11.45 74.07 90.23 5.96 74.18 90.35 8.70 74.13 2 0 1000.00 -999 ? >ILE.G 109 88.63 15.55 73.90 87.69 16.45 74.49 88.16 16.00 74.20 3 0 1000.00 -999 ? >ALA.G 110 92.71 17.70 72.96 93.82 17.46 71.92 93.26 17.58 72.44 2 0 1000.00 -999 ? >ALA.G 111 90.47 20.77 72.89 90.24 21.42 71.55 90.36 21.09 72.22 2 0 1000.00 -999 ? >VAL^G 112 88.31 21.31 76.00 87.98 19.59 77.30 88.15 20.45 76.65 3 0 1000.00 -999 ? >ALA^G 113 87.46 24.80 77.22 87.40 25.84 76.08 87.43 25.32 76.65 2 0 1000.00 -999 ? >ARG.G 114 87.35 26.51 83.34 87.45 24.41 85.54 87.40 25.46 84.44 2 0 1000.00 -999 ? >ILE.G 115 82.55 30.53 79.93 81.02 30.76 79.44 81.78 30.64 79.69 3 0 1000.00 -999 ? >SER.G 121 84.02 25.54 70.12 82.16 25.98 71.60 83.09 25.76 70.86 2 0 1000.00 -999 ? >ASP.G 122 82.69 21.52 67.58 84.29 21.99 66.25 83.49 21.75 66.91 2 0 1000.00 -999 ? >TYR^G 123 79.48 19.09 69.93 79.10 17.73 67.52 79.29 18.41 68.72 3 0 1000.00 -999 ? >LYS^G 124 78.68 22.87 74.31 75.30 27.78 76.16 76.99 25.32 75.23 2 0 1000.00 -999 ? >LEU^G 125 78.97 19.68 77.81 78.84 17.78 79.02 78.91 18.73 78.41 3 0 1000.00 -999 ? >ALA^G 126 75.25 22.22 79.61 74.20 23.04 78.97 74.73 22.63 79.29 2 0 1000.00 -999 ? >ILE^G 127 75.80 20.04 83.75 76.71 18.99 84.14 76.26 19.52 83.95 3 0 1000.00 -999 ? >ASP^G 128 70.28 21.66 84.68 68.94 22.55 86.09 69.61 22.11 85.38 2 0 1000.00 -999 ? >VAL^G 129 72.13 20.06 88.78 74.07 20.00 89.80 73.10 20.03 89.29 3 0 1000.00 -999 ? >ARG^G 130 67.17 16.74 87.77 65.47 15.70 85.42 66.32 16.22 86.59 2 0 1000.00 -999 ? >ARG^G 131 67.26 14.80 94.49 67.46 11.73 94.37 67.36 13.27 94.43 2 0 1000.00 -999 ? >PHE^G 132 75.96 18.16 94.93 78.62 17.44 94.79 77.29 17.80 94.86 3 0 1000.00 -999 ? >GLU^G 133 70.52 15.14 98.54 68.47 15.47 98.09 69.50 15.31 98.31 2 0 1000.00 -999 ? >SER^G 134 73.39 13.56 101.59 74.32 12.79 103.67 73.86 13.17 102.63 2 0 1000.00 -999 ? >ASP^G 135 69.68 11.37 100.00 67.58 10.82 99.83 68.63 11.10 99.92 2 0 1000.00 -999 ? >TYR.G 136 69.40 10.22 106.48 71.48 10.92 108.25 70.44 10.57 107.36 3 0 1000.00 -999 ? >ALA.G 137 66.04 8.00 101.93 66.69 7.46 100.61 66.37 7.73 101.27 2 0 1000.00 -999 ? >GLY.G 138 64.50 6.28 104.99 65.26 6.20 104.75 64.88 6.24 104.87 1 0 1000.00 -999 ? >GLN.G 139 68.21 3.68 103.56 68.03 1.55 103.56 68.12 2.62 103.56 2 0 1000.00 -999 ? >SER.G 140 69.88 4.52 109.03 71.11 3.46 110.86 70.49 3.99 109.94 2 0 1000.00 -999 ? >LEU.G 141 74.11 4.76 106.59 75.49 3.67 107.87 74.80 4.21 107.23 3 0 1000.00 -999 ? >PRO.G 142 73.97 9.77 105.61 72.86 8.00 104.75 73.42 8.88 105.18 3 0 1000.00 -999 ? >ALA^G 143 73.72 8.09 100.51 72.84 7.30 99.55 73.28 7.70 100.03 2 0 1000.00 -999 ? >ALA^G 144 75.72 10.82 98.77 77.19 10.98 98.65 76.45 10.90 98.71 2 0 1000.00 -999 ? >THR^G 145 73.34 11.48 95.90 71.27 10.90 96.21 72.31 11.19 96.06 2 0 1000.00 -999 ? >ILE^G 146 75.31 13.70 92.22 76.53 14.45 92.08 75.92 14.07 92.15 3 0 1000.00 -999 ? >GLU^G 147 68.75 13.54 89.46 66.64 13.80 89.86 67.69 13.67 89.66 2 0 1000.00 -999 ? >LEU^G 148 73.24 16.60 87.00 75.00 15.64 86.07 74.12 16.12 86.54 3 0 1000.00 -999 ? >ASN^G 149 69.21 17.23 83.19 68.56 16.99 81.18 68.89 17.11 82.18 2 0 1000.00 -999 ? >ALA^G 150 73.20 17.14 80.71 74.34 16.18 80.61 73.77 16.66 80.66 2 0 1000.00 -999 ? >LYS^G 151 72.43 18.75 77.37 67.47 19.72 78.74 69.95 19.23 78.05 2 0 1000.00 -999 ? >LEU^G 152 75.59 17.25 74.07 77.53 17.33 73.18 76.56 17.29 73.62 3 0 1000.00 -999 ? >LEU^G 153 74.07 22.81 72.41 72.86 23.58 74.02 73.46 23.20 73.21 3 0 1000.00 -999 ? >HIS^G 154 76.26 21.34 66.16 77.44 21.65 64.46 76.85 21.49 65.31 3 0 1000.00 -999 ? >SER.G 155 77.30 25.43 68.90 79.40 24.79 70.01 78.35 25.11 69.46 2 0 1000.00 -999 ? >SER.G 156 76.71 26.70 65.30 77.46 24.85 63.88 77.09 25.78 64.59 2 0 1000.00 -999 ? >ASP.G 157 72.37 24.41 64.40 73.56 23.27 63.06 72.96 23.84 63.73 2 0 1000.00 -999 ? >GLN.G 158 72.79 28.31 68.87 72.01 30.28 68.75 72.40 29.30 68.81 2 0 1000.00 -999 ? >ARG^G 159 70.95 20.44 64.80 73.71 19.02 64.70 72.33 19.73 64.75 2 0 1000.00 -999 ? >VAL^G 160 70.22 19.91 70.88 68.98 19.74 72.66 69.60 19.83 71.77 3 0 1000.00 -999 ? >VAL^G 161 72.19 16.83 70.00 74.21 16.33 69.40 73.20 16.58 69.70 3 0 1000.00 -999 ? >ALA^G 162 70.83 14.92 73.04 71.46 13.52 73.04 71.15 14.22 73.04 2 0 1000.00 -999 ? >SER^G 163 69.61 15.06 76.60 68.06 16.81 77.22 68.83 15.93 76.91 2 0 1000.00 -999 ? >ARG^G 164 72.16 9.34 80.20 73.63 6.81 79.18 72.89 8.08 79.69 2 0 1000.00 -999 ? >THR^G 165 69.44 12.67 83.21 67.64 13.27 84.30 68.54 12.97 83.75 2 0 1000.00 -999 ? >PHE^G 166 74.04 11.32 83.70 74.82 11.11 81.03 74.43 11.21 82.36 3 0 1000.00 -999 ? >THR^G 167 71.61 9.86 89.00 69.52 9.82 89.58 70.57 9.84 89.29 2 0 1000.00 -999 ? >VAL^G 168 74.25 8.41 91.28 76.29 8.46 90.39 75.27 8.43 90.84 3 0 1000.00 -999 ? >ALA^G 169 73.79 7.38 94.90 72.37 7.01 95.25 73.08 7.20 95.08 2 0 1000.00 -999 ? >ARG^G 170 78.18 5.02 94.77 80.86 3.85 93.90 79.52 4.44 94.33 2 0 1000.00 -999 ? >PRO^G 171 76.07 2.73 99.45 76.04 4.94 99.82 76.06 3.84 99.64 3 0 1000.00 -999 ? >SER.G 172 78.18 6.30 103.24 79.02 7.81 104.84 78.60 7.05 104.04 2 0 1000.00 -999 ? >SER.G 173 79.95 3.94 105.63 82.15 4.62 106.14 81.05 4.28 105.88 2 0 1000.00 -999 ? >SER.G 174 79.14 6.09 108.59 80.37 7.35 110.28 79.75 6.72 109.44 2 0 1000.00 -999 ? >THR.G 175 77.00 8.97 109.75 75.50 9.42 111.32 76.25 9.20 110.53 2 0 1000.00 -999 ? >ASP~G 176 81.56 10.73 110.64 81.56 9.51 112.40 81.56 10.12 111.52 2 0 1000.00 -999 ? >THR~G 177 80.54 14.01 107.75 80.62 15.89 108.80 80.58 14.95 108.28 2 0 1000.00 -999 ? >ALA~G 178 84.07 12.82 106.75 85.27 12.51 107.65 84.67 12.67 107.20 2 0 1000.00 -999 ? >ALA~G 179 82.44 9.52 105.62 81.90 8.44 106.52 82.17 8.98 106.07 2 0 1000.00 -999 ? >VAL~G 180 79.64 11.33 103.81 77.74 12.32 104.49 78.69 11.83 104.15 3 0 1000.00 -999 ? >ALA~G 181 82.29 13.45 102.03 83.21 14.44 102.72 82.75 13.94 102.38 2 0 1000.00 -999 ? >ALA~G 182 84.18 10.31 101.03 84.85 9.29 102.00 84.52 9.80 101.52 2 0 1000.00 -999 ? >ALA~G 183 80.93 8.98 99.55 79.62 8.68 100.29 80.28 8.83 99.92 2 0 1000.00 -999 ? >PHE~G 184 79.10 14.12 98.33 76.52 15.15 98.93 77.81 14.64 98.63 3 0 1000.00 -999 ? >GLU~G 185 86.50 10.98 96.19 88.30 11.20 97.33 87.40 11.09 96.76 2 0 1000.00 -999 ? >GLN~G 186 83.51 6.36 96.44 82.81 5.53 98.32 83.16 5.95 97.38 2 0 1000.00 -999 ? >ALA~G 187 79.58 9.68 93.54 78.45 10.25 94.39 79.01 9.96 93.96 2 0 1000.00 -999 ? >LEU~G 188 82.13 13.65 92.43 81.81 15.70 92.24 81.97 14.68 92.34 3 0 1000.00 -999 ? >THR~G 189 83.75 10.09 90.21 85.68 9.29 90.90 84.72 9.69 90.56 2 0 1000.00 -999 ? >GLN~G 190 79.51 5.77 88.98 77.94 4.65 89.97 78.72 5.21 89.47 2 0 1000.00 -999 ? >VAL~G 191 78.76 10.77 87.52 77.67 12.63 88.06 78.21 11.70 87.79 3 0 1000.00 -999 ? >THR~G 192 81.85 12.34 85.92 83.34 13.72 86.60 82.59 13.03 86.26 2 0 1000.00 -999 ? >THR~G 193 82.93 9.06 84.32 83.99 7.35 85.15 83.46 8.20 84.73 2 0 1000.00 -999 ? >GLU~G 194 78.14 6.97 84.41 76.33 6.70 85.55 77.24 6.83 84.98 2 0 1000.00 -999 ? >LEU~G 195 79.32 13.39 82.54 78.00 14.99 83.13 78.66 14.19 82.83 3 0 1000.00 -999 ? >VAL~G 196 82.52 12.08 79.83 84.63 12.54 80.43 83.58 12.31 80.13 3 0 1000.00 -999 ? >GLY~G 197 81.79 8.76 78.13 81.38 9.49 78.18 81.58 9.13 78.16 1 0 1000.00 -999 ? >TRP~G 198 75.04 10.14 76.90 74.50 14.04 76.78 74.77 12.09 76.84 3 0 1000.00 -999 ? >THR~G 199 79.65 13.24 75.75 79.87 15.07 76.74 79.76 14.16 76.24 2 0 1000.00 -999 ? >LEU~G 200 83.62 10.87 74.31 85.40 11.99 74.91 84.51 11.43 74.61 3 0 1000.00 -999 ? >ILE~G 201 79.57 7.72 72.99 79.39 6.60 73.36 79.48 7.16 73.18 3 0 1000.00 -999 ? >THR~G 202 77.36 11.30 71.71 75.57 11.49 72.89 76.47 11.39 72.30 2 0 1000.00 -999 ? >GLY~G 203 79.25 14.17 70.14 79.30 13.36 70.00 79.28 13.77 70.07 1 0 1000.00 -999 ? >GLN~G 204 83.01 9.98 67.40 84.00 11.34 66.03 83.51 10.66 66.71 2 0 1000.00 -999 ? >GLN~G 205 77.89 7.72 67.59 76.74 6.25 68.70 77.32 6.99 68.14 2 0 1000.00 -999 ? >ASP~G 206 76.29 14.59 66.78 75.23 16.19 65.87 75.76 15.39 66.32 2 0 1000.00 -999 ? >SER~G 207 79.61 14.72 63.88 81.68 14.35 65.06 80.65 14.53 64.47 2 0 1000.00 -999 ? >GLN.G 208 81.29 10.12 62.42 81.67 8.12 63.14 81.48 9.12 62.78 2 0 1000.00 -999 ? >THR.G 209 76.49 13.28 59.81 75.12 12.82 61.56 75.80 13.05 60.69 2 0 1000.00 -999 ? >THR.H 33 104.14 36.26 108.77 105.57 34.79 109.53 104.85 35.53 109.15 2 0 1000.00 -999 ? >ILE^H 34 104.13 38.44 104.49 102.72 38.44 104.18 103.43 38.44 104.34 3 0 1000.00 -999 ? >TYR^H 35 106.32 32.53 104.18 106.72 31.66 106.80 106.52 32.10 105.49 3 0 1000.00 -999 ? >ALA.H 36 107.63 35.81 99.39 107.89 37.35 99.44 107.76 36.58 99.41 2 0 1000.00 -999 ? >PRO.H 37 107.41 31.88 97.50 108.95 33.51 97.63 108.18 32.69 97.57 3 0 1000.00 -999 ? >THR.H 38 111.92 34.28 94.57 113.51 35.66 95.04 112.72 34.97 94.81 2 0 1000.00 -999 ? >VAL.H 39 111.58 32.36 91.34 109.85 31.13 90.84 110.72 31.74 91.09 3 0 1000.00 -999 ? >ARG.H 40 116.96 35.08 90.35 115.80 37.92 90.84 116.38 36.50 90.59 2 0 1000.00 -999 ? >VAL.H 41 114.46 30.19 85.92 112.70 29.41 84.92 113.58 29.80 85.42 3 0 1000.00 -999 ? >THR.H 42 117.83 29.32 84.32 119.51 28.29 85.29 118.67 28.80 84.81 2 0 1000.00 -999 ? >PRO.H 43 118.31 31.92 80.81 117.71 29.80 81.25 118.01 30.86 81.03 3 0 1000.00 -999 ? >ASN.H 44 116.65 25.30 78.66 117.32 23.29 78.37 116.98 24.29 78.52 2 0 1000.00 -999 ? >PRO.H 45 121.88 25.58 77.52 120.03 26.27 76.49 120.95 25.93 77.01 3 0 1000.00 -999 ? >ALA.H 46 118.12 23.95 73.89 118.10 22.52 74.29 118.11 23.23 74.09 2 0 1000.00 -999 ? >TRP.H 47 113.78 25.10 76.65 113.60 27.65 79.64 113.69 26.38 78.14 3 0 1000.00 -999 ? >PRO.H 48 112.03 26.43 70.69 114.18 26.95 71.12 113.11 26.69 70.91 3 0 1000.00 -999 ? >GLN.H 49 116.14 33.05 69.12 116.83 34.30 70.67 116.48 33.67 69.89 2 0 1000.00 -999 ? >VAL.H 50 111.38 32.04 68.53 109.92 31.11 69.94 110.65 31.58 69.24 3 0 1000.00 -999 ? >SER.H 51 109.90 35.11 66.85 109.98 34.84 64.51 109.94 34.97 65.68 2 0 1000.00 -999 ? >TRP.H 52 106.75 31.16 67.42 106.08 30.75 71.25 106.42 30.95 69.33 3 0 1000.00 -999 ? >GLN.H 53 104.89 38.87 68.90 104.15 40.89 68.80 104.52 39.88 68.85 2 0 1000.00 -999 ? >LEU^H 54 103.93 34.23 74.02 103.43 32.58 75.40 103.68 33.40 74.71 3 0 1000.00 -999 ? >LEU^H 55 98.90 36.87 75.21 97.29 38.02 76.32 98.10 37.45 75.76 3 0 1000.00 -999 ? >VAL^H 56 100.06 35.01 79.23 101.80 34.22 80.39 100.93 34.61 79.81 3 0 1000.00 -999 ? >ALA.H 57 96.43 34.78 80.43 95.43 33.75 79.92 95.93 34.26 80.17 2 0 1000.00 -999 ? >LYS.H 58 95.54 35.15 84.14 94.10 41.06 85.37 94.82 38.10 84.76 2 0 1000.00 -999 ? >PRO.H 59 98.05 32.22 86.01 95.95 32.42 85.44 97.00 32.32 85.73 3 0 1000.00 -999 ? >SER.H 60 92.46 30.42 86.93 91.68 28.93 85.17 92.07 29.67 86.05 2 0 1000.00 -999 ? >ALA.H 61 91.66 28.68 90.23 92.85 28.96 91.15 92.26 28.82 90.69 2 0 1000.00 -999 ? >ALA.H 62 89.03 28.11 92.87 88.76 26.81 93.58 88.90 27.46 93.23 2 0 1000.00 -999 ? >ARG.H 63 85.58 33.36 95.69 84.24 35.65 93.96 84.91 34.50 94.82 2 0 1000.00 -999 ? >ILE.H 64 90.12 27.62 98.65 90.09 26.47 99.27 90.11 27.04 98.96 3 0 1000.00 -999 ? >ILE.H 65 93.99 27.81 94.61 94.71 26.82 93.75 94.35 27.31 94.18 3 0 1000.00 -999 ? >ASP.H 66 92.46 32.52 93.49 92.82 34.35 92.41 92.64 33.44 92.95 2 0 1000.00 -999 ? >SER.H 67 94.10 33.71 98.04 93.87 33.21 100.39 93.99 33.46 99.21 2 0 1000.00 -999 ? >PRO.H 68 96.11 36.68 100.75 96.52 34.70 99.69 96.32 35.69 100.22 3 0 1000.00 -999 ? >ARG^H 69 95.35 32.32 105.17 93.61 32.61 107.78 94.48 32.47 106.47 2 0 1000.00 -999 ? >ILE^H 70 99.77 28.95 102.99 101.22 29.18 102.82 100.50 29.06 102.90 3 0 1000.00 -999 ? >ASN^H 71 95.78 25.28 100.64 94.82 26.89 99.64 95.30 26.09 100.14 2 0 1000.00 -999 ? >VAL^H 72 97.43 22.43 103.69 98.04 22.59 105.84 97.74 22.51 104.77 3 0 1000.00 -999 ? >ARG^H 73 95.13 16.88 100.30 92.85 18.12 98.77 93.99 17.50 99.53 2 0 1000.00 -999 ? >PRO.H 74 94.87 18.56 107.63 96.35 17.53 106.25 95.61 18.05 106.94 3 0 1000.00 -999 ? >THR.H 75 94.37 14.15 105.71 93.01 14.00 107.46 93.69 14.08 106.58 2 0 1000.00 -999 ? >PRO.H 76 94.54 11.12 102.55 93.71 13.20 102.80 94.13 12.16 102.68 3 0 1000.00 -999 ? >GLY.H 77 89.86 14.34 102.21 90.38 14.78 102.60 90.12 14.56 102.40 1 0 1000.00 -999 ? >GLU^H 78 90.37 18.31 106.46 89.57 17.59 108.30 89.97 17.95 107.38 2 0 1000.00 -999 ? >LEU^H 79 91.56 22.05 102.29 92.82 21.90 100.39 92.19 21.98 101.34 3 0 1000.00 -999 ? >GLN^H 80 92.61 22.19 108.07 93.27 21.27 109.89 92.94 21.73 108.98 2 0 1000.00 -999 ? >VAL^H 81 94.99 27.07 106.04 93.48 28.63 105.69 94.24 27.85 105.87 3 0 1000.00 -999 ? >TYR^H 82 100.23 26.50 107.17 101.53 24.14 106.41 100.88 25.32 106.79 3 0 1000.00 -999 ? >HIS^H 83 95.00 29.23 111.54 93.27 28.13 111.06 94.14 28.68 111.30 3 0 1000.00 -999 ? >GLY^H 84 99.29 33.36 110.82 99.30 32.70 110.33 99.30 33.03 110.58 1 0 1000.00 -999 ? >ALA^H 85 101.06 32.70 107.51 101.72 31.36 107.53 101.39 32.03 107.52 2 0 1000.00 -999 ? >GLY^H 86 100.29 33.91 104.02 101.09 34.00 104.19 100.69 33.95 104.11 1 0 1000.00 -999 ? >TRP^H 87 100.10 31.83 99.17 103.49 29.95 99.59 101.79 30.89 99.38 3 0 1000.00 -999 ? >ALA.H 88 102.82 38.28 99.61 104.23 38.69 99.13 103.52 38.48 99.37 2 0 1000.00 -999 ? >GLN.H 89 101.34 38.82 94.58 102.83 38.85 93.05 102.09 38.83 93.81 2 0 1000.00 -999 ? >PRO~H 90 96.51 37.22 95.42 98.27 35.83 95.85 97.39 36.52 95.64 3 0 1000.00 -999 ? >ALA~H 91 99.09 31.90 94.30 98.54 30.54 94.70 98.82 31.22 94.50 2 0 1000.00 -999 ? >THR~H 92 97.60 32.69 90.90 95.43 32.77 91.05 96.52 32.73 90.98 2 0 1000.00 -999 ? >ASP~H 93 99.35 37.12 91.70 97.59 38.15 91.14 98.47 37.63 91.42 2 0 1000.00 -999 ? >MET~H 94 102.81 34.20 92.10 103.19 32.73 96.07 103.00 33.46 94.08 2 0 1000.00 -999 ? >LEU~H 95 101.45 30.83 89.03 101.53 28.82 88.42 101.49 29.82 88.72 3 0 1000.00 -999 ? >GLU~H 96 99.89 36.11 85.39 99.18 38.10 85.46 99.54 37.10 85.43 2 0 1000.00 -999 ? >ASP~H 97 104.86 37.27 88.86 103.74 39.04 89.02 104.30 38.15 88.94 2 0 1000.00 -999 ? >SER~H 98 107.03 33.62 87.53 107.22 32.70 89.65 107.13 33.16 88.59 2 0 1000.00 -999 ? >VAL~H 99 105.97 32.42 84.10 104.35 31.17 83.41 105.16 31.80 83.76 3 0 1000.00 -999 ? >VAL~H 100 106.02 35.87 82.50 104.59 37.49 82.39 105.30 36.68 82.44 3 0 1000.00 -999 ? >ARG~H 101 108.93 38.32 87.50 107.61 40.07 89.61 108.27 39.19 88.55 2 0 1000.00 -999 ? >ALA~H 102 110.86 33.39 83.17 110.38 32.03 83.61 110.62 32.71 83.39 2 0 1000.00 -999 ? >PHE~H 103 107.82 33.04 78.65 106.44 30.67 78.17 107.13 31.86 78.41 3 0 1000.00 -999 ? >GLU~H 104 109.63 39.48 80.48 108.82 40.72 82.04 109.23 40.10 81.26 2 0 1000.00 -999 ? >ASP~H 105 114.72 35.72 82.89 114.35 37.21 84.41 114.54 36.46 83.65 2 0 1000.00 -999 ? >SER~H 106 115.03 33.34 79.01 113.24 33.02 77.39 114.13 33.18 78.20 2 0 1000.00 -999 ? >GLY~H 107 116.42 35.21 76.02 115.69 34.76 75.98 116.06 34.98 76.00 1 0 1000.00 -999 ? >LYS.H 108 114.26 33.01 73.84 117.98 29.30 73.66 116.12 31.15 73.75 2 0 1000.00 -999 ? >ILE.H 109 109.99 34.70 73.67 108.73 34.53 74.09 109.36 34.61 73.88 3 0 1000.00 -999 ? >ALA.H 110 111.24 39.06 72.17 111.38 39.55 70.71 111.31 39.31 71.44 2 0 1000.00 -999 ? >ALA.H 111 107.55 39.55 72.91 106.92 39.87 71.56 107.23 39.71 72.23 2 0 1000.00 -999 ? >VAL^H 112 105.62 38.31 75.96 106.67 36.71 76.93 106.15 37.51 76.44 3 0 1000.00 -999 ? >ALA^H 113 102.77 40.12 77.65 102.38 41.24 76.71 102.57 40.68 77.18 2 0 1000.00 -999 ? >ARG.H 114 101.32 40.84 82.97 103.16 40.83 85.44 102.24 40.83 84.21 2 0 1000.00 -999 ? >SER.H 121 99.78 38.20 70.14 98.14 37.10 71.52 98.96 37.65 70.83 2 0 1000.00 -999 ? >ASP.H 122 101.51 34.61 67.32 102.34 36.26 66.27 101.93 35.44 66.79 2 0 1000.00 -999 ? >TYR^H 123 101.20 30.58 69.68 101.76 29.28 67.25 101.48 29.93 68.47 3 0 1000.00 -999 ? >LYS^H 124 97.98 32.49 74.27 92.04 33.58 76.42 95.01 33.03 75.34 2 0 1000.00 -999 ? >LEU^H 125 100.58 30.61 77.90 101.66 29.07 79.02 101.12 29.84 78.46 3 0 1000.00 -999 ? >ALA^H 126 96.29 29.56 79.59 94.90 29.47 78.91 95.59 29.52 79.25 2 0 1000.00 -999 ? >ILE^H 127 98.11 28.41 83.71 99.40 28.50 84.04 98.76 28.45 83.87 3 0 1000.00 -999 ? >ASP^H 128 93.16 25.58 84.63 91.59 25.14 86.01 92.37 25.36 85.32 2 0 1000.00 -999 ? >VAL^H 129 95.55 25.76 88.82 96.85 27.10 90.01 96.20 26.43 89.41 3 0 1000.00 -999 ? >ARG^H 130 94.31 19.78 87.64 94.16 17.91 85.25 94.23 18.84 86.44 2 0 1000.00 -999 ? >ARG^H 131 95.94 18.46 94.56 98.19 16.40 94.29 97.06 17.43 94.42 2 0 1000.00 -999 ? >PHE^H 132 99.45 26.83 94.66 101.79 28.38 94.59 100.62 27.61 94.63 3 0 1000.00 -999 ? >GLU^H 133 97.96 20.84 98.43 96.27 19.69 97.85 97.12 20.27 98.14 2 0 1000.00 -999 ? >SER^H 134 101.24 21.68 101.25 102.19 21.72 103.49 101.72 21.70 102.37 2 0 1000.00 -999 ? >ASP^H 135 100.06 17.43 99.58 98.99 15.53 99.50 99.53 16.48 99.54 2 0 1000.00 -999 ? >TYR.H 136 100.80 16.61 106.22 101.80 18.48 108.05 101.30 17.55 107.13 3 0 1000.00 -999 ? >ALA.H 137 100.09 12.75 101.50 101.00 12.88 100.26 100.55 12.81 100.88 2 0 1000.00 -999 ? >GLY.H 138 100.13 10.16 104.29 100.69 10.73 104.23 100.41 10.44 104.26 1 0 1000.00 -999 ? >GLN.H 139 105.19 10.56 103.31 106.99 9.75 104.23 106.09 10.16 103.77 2 0 1000.00 -999 ? >SER.H 140 105.17 12.76 108.29 106.35 12.48 110.34 105.76 12.62 109.32 2 0 1000.00 -999 ? >LEU.H 141 108.10 15.98 106.36 109.62 16.36 107.95 108.86 16.17 107.15 3 0 1000.00 -999 ? >PRO.H 142 104.36 19.41 104.99 104.91 17.37 104.30 104.64 18.39 104.64 3 0 1000.00 -999 ? >ALA^H 143 105.22 18.27 100.11 105.04 17.09 99.22 105.13 17.68 99.67 2 0 1000.00 -999 ? >ALA^H 144 104.63 21.67 98.58 105.59 22.81 98.47 105.11 22.24 98.53 2 0 1000.00 -999 ? >THR^H 145 102.48 20.61 95.64 101.56 18.66 95.79 102.02 19.64 95.71 2 0 1000.00 -999 ? >ILE^H 146 102.46 23.51 91.93 102.88 24.89 91.91 102.67 24.20 91.92 3 0 1000.00 -999 ? >GLU^H 147 97.48 19.07 89.16 96.37 17.31 89.64 96.92 18.19 89.40 2 0 1000.00 -999 ? >LEU^H 148 98.87 24.04 86.80 100.80 24.75 86.04 99.83 24.40 86.42 3 0 1000.00 -999 ? >ASN^H 149 95.68 21.59 82.98 95.28 21.02 80.94 95.48 21.31 81.96 2 0 1000.00 -999 ? >ALA^H 150 98.35 24.50 80.44 99.85 24.81 80.32 99.10 24.66 80.38 2 0 1000.00 -999 ? >LYS^H 151 96.81 25.22 77.10 91.75 23.93 79.18 94.28 24.57 78.14 2 0 1000.00 -999 ? >LEU^H 152 99.84 26.38 73.59 101.33 27.80 73.07 100.58 27.09 73.33 3 0 1000.00 -999 ? >LEU^H 153 94.79 29.40 72.53 93.20 28.37 73.66 93.99 28.89 73.10 3 0 1000.00 -999 ? >HIS^H 154 97.17 29.91 66.02 98.12 30.96 64.46 97.65 30.43 65.24 3 0 1000.00 -999 ? >SER.H 155 94.83 33.40 68.65 96.56 34.48 69.99 95.69 33.94 69.32 2 0 1000.00 -999 ? >SER.H 156 93.26 33.92 65.17 95.38 33.74 63.99 94.32 33.83 64.58 2 0 1000.00 -999 ? >ASP.H 157 91.81 29.47 64.08 93.85 29.07 64.18 92.83 29.27 64.13 2 0 1000.00 -999 ? >GLN.H 158 89.09 31.93 68.85 87.49 32.79 70.07 88.29 32.36 69.46 2 0 1000.00 -999 ? >ARG^H 159 94.28 25.13 65.19 97.33 25.48 65.08 95.81 25.31 65.14 2 0 1000.00 -999 ? >VAL^H 160 94.17 24.64 71.07 93.28 23.67 72.78 93.72 24.16 71.93 3 0 1000.00 -999 ? >VAL^H 161 97.64 23.71 69.87 99.38 24.89 69.35 98.51 24.30 69.61 3 0 1000.00 -999 ? >ALA^H 162 98.32 21.29 72.68 99.67 20.61 72.68 99.00 20.95 72.68 2 0 1000.00 -999 ? >SER^H 163 97.49 21.03 76.33 95.42 20.90 77.56 96.45 20.97 76.94 2 0 1000.00 -999 ? >ARG^H 164 102.72 18.29 79.78 104.97 17.12 78.11 103.85 17.71 78.95 2 0 1000.00 -999 ? >THR^H 165 98.91 18.69 83.04 97.42 17.58 84.10 98.17 18.14 83.57 2 0 1000.00 -999 ? >PHE^H 166 103.01 21.07 83.53 103.55 21.76 80.90 103.28 21.41 82.22 3 0 1000.00 -999 ? >THR^H 167 102.37 17.99 88.61 100.95 16.48 89.32 101.66 17.24 88.96 2 0 1000.00 -999 ? >VAL^H 168 105.27 18.98 90.83 106.85 20.35 90.20 106.06 19.66 90.52 3 0 1000.00 -999 ? >ALA^H 169 105.63 17.82 94.48 104.90 16.59 95.01 105.27 17.20 94.74 2 0 1000.00 -999 ? >ARG^H 170 110.82 19.37 94.14 113.34 20.97 93.32 112.08 20.17 93.73 2 0 1000.00 -999 ? >PRO^H 171 110.92 16.29 99.47 109.23 17.77 99.43 110.08 17.03 99.45 3 0 1000.00 -999 ? >SER.H 172 109.57 20.15 102.99 108.71 21.66 104.67 109.14 20.90 103.83 2 0 1000.00 -999 ? >SER.H 173 112.45 19.64 105.40 113.98 21.51 105.04 113.21 20.58 105.22 2 0 1000.00 -999 ? >SER.H 174 110.37 20.42 108.43 110.77 22.58 109.59 110.57 21.50 109.01 2 0 1000.00 -999 ? >THR.H 175 106.90 21.03 109.62 105.68 20.15 111.18 106.29 20.59 110.40 2 0 1000.00 -999 ? >ASP~H 176 108.89 25.42 110.39 109.45 24.99 112.43 109.17 25.20 111.41 2 0 1000.00 -999 ? >THR~H 177 105.78 27.18 107.61 104.58 28.60 108.70 105.18 27.89 108.15 2 0 1000.00 -999 ? >ALA~H 178 109.19 28.71 106.74 110.25 29.35 107.67 109.72 29.03 107.20 2 0 1000.00 -999 ? >ALA~H 179 110.21 25.23 105.63 110.33 23.95 106.56 110.27 24.59 106.09 2 0 1000.00 -999 ? >VAL~H 180 106.97 24.76 103.60 104.91 24.11 104.22 105.94 24.43 103.91 3 0 1000.00 -999 ? >ALA~H 181 107.48 28.17 101.94 107.59 29.46 102.63 107.53 28.82 102.28 2 0 1000.00 -999 ? >ALA~H 182 111.01 27.10 100.94 112.08 26.59 101.87 111.55 26.85 101.40 2 0 1000.00 -999 ? >ALA~H 183 109.56 24.00 99.34 108.90 22.82 100.02 109.23 23.41 99.68 2 0 1000.00 -999 ? >PHE~H 184 104.54 26.35 98.36 102.07 25.15 98.96 103.30 25.75 98.66 3 0 1000.00 -999 ? >GLU~H 185 111.79 29.61 95.92 113.18 30.74 97.02 112.49 30.18 96.47 2 0 1000.00 -999 ? >GLN~H 186 113.04 24.45 96.55 113.34 23.02 98.14 113.19 23.74 97.34 2 0 1000.00 -999 ? >ALA~H 187 108.07 23.60 93.31 106.84 23.27 94.11 107.46 23.44 93.71 2 0 1000.00 -999 ? >LEU~H 188 107.15 28.29 92.52 105.57 29.66 92.12 106.36 28.98 92.32 3 0 1000.00 -999 ? >THR~H 189 110.60 27.20 90.18 112.45 28.01 90.80 111.52 27.60 90.49 2 0 1000.00 -999 ? >GLN~H 190 110.36 21.18 88.68 110.36 19.29 89.67 110.36 20.24 89.18 2 0 1000.00 -999 ? >VAL~H 191 106.85 23.86 87.33 104.71 24.25 87.79 105.78 24.05 87.56 3 0 1000.00 -999 ? >THR~H 192 107.64 27.25 85.79 107.60 29.26 86.50 107.62 28.25 86.14 2 0 1000.00 -999 ? >THR~H 193 110.79 25.94 84.15 112.79 25.37 84.84 111.79 25.66 84.50 2 0 1000.00 -999 ? >GLU~H 194 109.08 20.94 84.22 108.10 19.33 85.27 108.59 20.13 84.74 2 0 1000.00 -999 ? >LEU~H 195 105.25 26.36 82.27 103.26 26.10 82.88 104.25 26.23 82.57 3 0 1000.00 -999 ? >VAL~H 196 108.32 27.86 79.69 109.60 29.54 80.07 108.96 28.70 79.88 3 0 1000.00 -999 ? >GLY~H 197 110.04 25.02 77.88 109.25 25.15 77.91 109.65 25.08 77.89 1 0 1000.00 -999 ? >TRP~H 198 104.63 20.80 76.60 101.40 23.03 76.55 103.02 21.91 76.57 3 0 1000.00 -999 ? >THR~H 199 105.43 26.63 75.68 104.40 28.28 76.54 104.92 27.46 76.11 2 0 1000.00 -999 ? >LEU~H 200 109.93 27.89 74.04 110.65 29.91 74.70 110.29 28.90 74.37 3 0 1000.00 -999 ? >ILE~H 201 109.40 22.78 72.78 110.34 21.81 73.03 109.87 22.30 72.90 3 0 1000.00 -999 ? >THR~H 202 105.17 23.32 71.42 103.59 22.43 72.58 104.38 22.88 72.00 2 0 1000.00 -999 ? >GLY~H 203 104.60 26.82 70.06 105.11 26.25 69.80 104.85 26.53 69.93 1 0 1000.00 -999 ? >GLN~H 204 109.97 26.96 66.81 109.99 29.00 66.10 109.98 27.98 66.46 2 0 1000.00 -999 ? >GLN~H 205 107.51 21.21 67.68 107.29 19.65 69.14 107.40 20.43 68.41 2 0 1000.00 -999 ? >ASP~H 206 102.06 25.19 66.54 100.10 25.27 65.80 101.08 25.23 66.17 2 0 1000.00 -999 ? >SER~H 207 104.67 27.78 64.14 106.29 29.58 63.95 105.48 28.68 64.05 2 0 1000.00 -999 ? >GLN.H 208 108.62 25.81 61.92 110.30 24.78 62.72 109.46 25.29 62.32 2 0 1000.00 -999 ? >THR.H 209 103.13 24.11 59.80 102.71 22.45 61.26 102.92 23.28 60.53 2 0 1000.00 -999 ?