REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-NOV-05 2EVV COMPND HYPOTHETICAL PROTEIN HP0218; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 85962; SOURCE 4 STRAIN: 26695; SOURCE 5 GENE: HP0218; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR Y.KIM,X.XU,H.HONG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 7 8 HET MSE A 67 8 HET MSE A 88 16 HET MSE A 89 8 HET MSE A 128 8 HET MSE A 163 8 HET MSE B 1 8 HET MSE B 7 8 HET MSE B 67 8 HET MSE B 88 8 HET MSE B 89 8 HET MSE B 128 8 HET MSE B 163 8 HET MSE C 1 8 HET MSE C 7 8 HET MSE C 67 8 HET MSE C 88 16 HET MSE C 89 8 HET MSE C 128 8 HET MSE C 163 8 HET MSE D 1 8 HET MSE D 7 8 HET MSE D 67 8 HET MSE D 88 8 HET MSE D 89 8 HET MSE D 128 8 HET MSE D 163 8 HET SO4 B 305 5 HET GOL A 301 6 HET GOL B 302 6 HET GOL C 303 6 HET GOL D 304 6 SITE 1 AC1 5 ARG A 164 HIS B 135 LEU B 176 HOH B 340 SITE 1 AC2 8 ASP A 58 ALA A 61 PHE A 69 MSE A 128 SITE 1 AC3 10 ASP B 58 VAL B 64 HIS B 71 MSE B 128 SITE 1 AC4 6 PHE C 69 PRO C 130 HIS C 134 HOH C 337 SITE 1 AC5 8 ARG C 106 ASP D 58 ALA D 61 HIS D 71 >MET?A 1 88.61 58.36 -14.30 88.09 60.20 -10.90 88.35 59.28 -12.60 2 0 14.47 -999 ? O2 SO4 B 305 >LYS^A 2 86.09 60.75 -15.93 85.28 59.64 -20.83 85.68 60.19 -18.38 2 0 23.94 -999 ? O2 SO4 B 305 >THR^A 3 85.36 64.47 -15.49 87.22 65.33 -16.22 86.29 64.90 -15.86 2 0 21.59 -999 ? O1 SO4 B 305 >PHE.A 4 81.06 65.82 -13.53 81.15 65.79 -10.74 81.10 65.80 -12.13 3 0 21.51 -999 ? O2 SO4 B 305 >GLU.A 5 80.67 72.21 -17.65 79.77 72.85 -19.49 80.22 72.53 -18.57 2 0 25.97 -999 ? O3 GOL A 301 >VAL^A 6 80.18 72.16 -12.95 80.98 71.66 -10.94 80.58 71.91 -11.95 3 0 20.39 -999 ? O3 GOL A 301 >MET?A 7 78.12 75.37 -13.03 76.90 72.77 -15.50 77.51 74.07 -14.26 2 0 24.02 -999 ? O3 GOL A 301 >ILE^A 8 78.48 78.59 -9.82 79.34 79.21 -8.90 78.91 78.90 -9.36 3 0 15.81 -999 ? O3 GOL A 301 >GLN^A 9 73.92 83.41 -12.36 71.89 83.87 -11.88 72.90 83.64 -12.12 2 0 21.50 -999 ? O3 GOL A 301 >THR^A 10 78.21 84.56 -12.23 80.09 83.53 -12.36 79.15 84.04 -12.29 2 0 16.60 -999 ? O3 GOL A 301 >ASP^A 11 78.40 89.29 -13.43 80.48 89.67 -13.18 79.44 89.48 -13.31 2 0 17.84 -999 ? O3 GOL A 301 >SER^A 12 79.75 88.55 -17.46 79.66 90.99 -17.52 79.70 89.77 -17.49 2 0 22.32 -999 ? O3 GOL A 301 >LYS^A 13 83.18 89.03 -15.80 84.00 94.50 -15.97 83.59 91.76 -15.88 2 0 21.00 -999 ? O3 GOL A 301 >GLY^A 14 82.88 85.71 -13.89 82.70 86.37 -13.53 82.79 86.04 -13.71 1 0 16.86 -999 ? O3 GOL A 301 >TYR^A 15 83.51 89.37 -10.32 86.13 90.34 -10.55 84.82 89.86 -10.44 3 0 13.98 -999 ? O3 GOL A 301 >LEU^A 16 79.97 84.60 -7.05 78.77 83.04 -6.15 79.37 83.82 -6.60 3 0 12.42 -999 ? O3 GOL A 301 >ASP^A 17 75.46 87.96 -6.65 74.55 88.36 -8.52 75.00 88.16 -7.58 2 0 17.71 -999 ? O3 GOL A 301 >ALA^A 18 77.79 90.24 -3.67 77.49 91.76 -3.57 77.64 91.00 -3.62 2 0 14.09 -999 ? O3 GOL A 301 >LYS^A 19 75.05 88.47 -1.64 71.02 87.08 -5.46 73.04 87.78 -3.55 2 0 18.96 -999 ? O3 GOL A 301 >PHE^A 20 75.97 84.09 -3.45 73.53 83.63 -4.75 74.75 83.86 -4.10 3 0 14.85 -999 ? O3 GOL A 301 >GLY^A 21 80.01 86.75 0.40 79.40 87.29 0.43 79.71 87.02 0.42 1 0 8.67 -999 ? O3 GOL A 301 >GLY^A 22 81.34 89.55 2.64 80.95 89.63 1.99 81.14 89.59 2.31 1 0 8.51 -999 ? O3 GOL A 301 >ASN^A 23 80.64 92.83 -0.93 82.76 93.04 -1.00 81.70 92.94 -0.97 2 0 10.52 -999 ? O3 GOL A 301 >ALA^A 24 76.49 91.16 0.87 76.09 89.86 1.57 76.29 90.51 1.22 2 0 13.25 -999 ? O3 GOL A 301 >PRO^A 25 72.81 93.32 -0.37 74.18 93.13 1.42 73.50 93.23 0.53 3 0 17.15 -999 ? O3 GOL A 301 >LYS^A 26 73.15 93.53 5.62 74.63 97.62 8.26 73.89 95.57 6.94 2 0 19.43 -999 ? C3 GOL A 301 >ALA^A 27 70.07 91.25 5.10 68.83 91.74 4.35 69.45 91.49 4.73 2 0 20.81 -999 ? O3 GOL A 301 >PHE^A 28 71.27 88.25 1.22 69.14 88.19 -0.62 70.21 88.22 0.30 3 0 18.48 -999 ? O3 GOL A 301 >LEU^A 29 75.43 89.40 6.97 77.07 90.24 5.73 76.25 89.82 6.35 3 0 13.62 -999 ? C3 GOL A 301 >ASN^A 30 74.34 84.96 10.14 76.34 85.06 10.91 75.34 85.01 10.52 2 0 14.31 -999 ? O2 GOL A 301 >SER^A 31 73.52 87.82 13.30 72.48 85.96 14.47 73.00 86.89 13.88 2 0 19.39 -999 ? O2 GOL A 301 >ASN^A 32 78.24 87.19 13.95 77.35 86.32 15.66 77.79 86.75 14.80 2 0 16.08 -999 ? O2 GOL A 301 >GLY^A 33 77.82 89.79 9.89 77.92 88.99 10.01 77.87 89.39 9.95 1 0 13.51 -999 ? C3 GOL A 301 >LEU^A 34 79.35 85.36 9.10 81.18 85.30 10.32 80.27 85.33 9.71 3 0 10.27 -999 ? O2 GOL A 301 >PRO^A 35 80.14 85.96 4.10 78.23 85.77 5.27 79.19 85.86 4.69 3 0 9.51 -999 ? O3 GOL A 301 >THR^A 36 76.05 82.27 5.28 75.49 82.69 7.31 75.77 82.48 6.30 2 0 13.92 -999 ? O3 GOL A 301 >TYR^A 37 71.95 83.55 0.87 69.81 83.32 -0.91 70.88 83.43 -0.02 3 0 17.53 -999 ? O3 GOL A 301 >SER^A 38 75.04 79.68 -0.20 74.07 77.45 0.14 74.56 78.56 -0.03 2 0 15.99 -999 ? O3 GOL A 301 >PRO^A 39 77.16 79.87 -4.07 75.05 79.83 -3.31 76.10 79.85 -3.69 3 0 14.25 -999 ? O3 GOL A 301 >LYS^A 40 72.98 77.52 -6.36 69.48 75.98 -10.69 71.23 76.75 -8.52 2 0 24.26 -999 ? O3 GOL A 301 >ILE^A 41 76.79 74.69 -6.73 78.21 74.80 -6.35 77.50 74.75 -6.54 3 0 16.92 -999 ? O3 GOL A 301 >SER^A 42 74.87 72.33 -10.18 73.75 73.62 -11.90 74.31 72.97 -11.04 2 0 22.92 -999 ? O3 GOL A 301 >TRP^A 43 77.05 67.10 -10.53 76.07 68.92 -7.18 76.56 68.01 -8.86 3 0 23.05 -999 ? O3 GOL A 301 >GLN^A 44 77.26 67.88 -17.34 78.90 67.47 -18.65 78.08 67.68 -17.99 2 0 27.88 -999 ? O2 SO4 B 305 >LYS^A 45 74.51 63.96 -14.08 69.26 60.44 -13.46 71.89 62.20 -13.77 2 0 28.62 -999 ? O2 SO4 B 305 >VAL^A 46 77.18 61.26 -13.97 79.27 61.64 -13.29 78.22 61.45 -13.63 3 0 22.23 -999 ? O2 SO4 B 305 >GLU^A 47 74.37 56.58 -16.64 72.79 57.94 -16.96 73.58 57.26 -16.80 2 0 27.39 -999 ? O2 SO4 B 305 >GLY^A 48 76.66 55.27 -12.23 76.31 55.99 -12.01 76.48 55.63 -12.12 1 0 21.10 -999 ? O2 SO4 B 305 >ALA^A 49 76.57 57.87 -9.43 76.76 59.38 -9.62 76.67 58.62 -9.52 2 0 20.24 -999 ? O2 SO4 B 305 >GLN^A 50 74.23 54.91 -6.66 74.16 53.09 -5.54 74.20 54.00 -6.10 2 0 19.96 -999 ? O2 SO4 B 305 >SER^A 51 75.36 60.54 -4.47 76.68 59.56 -2.66 76.02 60.05 -3.57 2 0 17.75 -999 ? O2 SO4 B 305 >TYR^A 52 76.66 64.07 -7.11 75.53 63.17 -9.51 76.10 63.62 -8.31 3 0 21.73 -999 ? O2 SO4 B 305 >ALA^A 53 79.99 65.37 -2.51 81.04 64.60 -1.73 80.51 64.98 -2.12 2 0 16.46 -999 ? O2 SO4 B 305 >LEU^A 54 80.17 69.86 -3.21 79.97 72.03 -3.48 80.07 70.94 -3.35 3 0 16.81 -999 ? O3 GOL A 301 >GLU^A 55 86.52 70.18 -2.22 88.02 68.70 -1.94 87.27 69.44 -2.08 2 0 16.10 -999 ? O1 SO4 B 305 >LEU^A 56 83.42 75.62 -1.73 83.20 77.68 -2.54 83.31 76.65 -2.13 3 0 10.25 -999 ? O3 GOL A 301 >ILE^A 57 89.18 74.75 -1.54 90.02 73.70 -1.04 89.60 74.22 -1.29 3 0 10.99 -999 ? O3 GOL A 301 >ASP^A 58 89.71 80.48 -0.76 90.53 82.35 -1.45 90.12 81.41 -1.10 2 0 -4.54 -999 ? O1 GOL A 301s >HIS^A 59 93.63 76.79 -4.56 93.18 74.80 -5.06 93.40 75.80 -4.81 3 0 11.63 -999 ? O1 GOL A 301 >ASP^A 60 93.43 83.55 -3.64 93.50 83.29 -5.71 93.47 83.42 -4.67 2 0 8.37 -999 ? O1 GOL A 301 >ALA^A 61 93.96 82.35 0.88 92.87 81.72 1.67 93.42 82.04 1.28 2 0 -3.45 -999 ? O1 GOL A 301s >GLN^A 62 99.37 79.12 0.98 100.78 78.18 -0.30 100.07 78.65 0.34 2 0 11.74 -999 ? O1 GOL A 301 >LYS^A 63 99.15 84.11 0.47 100.90 88.55 -3.53 100.03 86.33 -1.53 2 0 11.72 -999 ? O1 GOL A 301 >VAL^A 64 96.84 85.75 3.04 94.83 86.67 2.88 95.83 86.21 2.96 3 0 4.68 -999 ? O1 GOL A 301 >CYH^A 65 97.21 83.30 5.90 94.96 81.84 5.81 96.09 82.57 5.85 2 0 5.26 -999 ? C1 GOL A 301 >GLY^A 66 99.68 80.53 5.11 98.95 80.44 4.76 99.32 80.49 4.94 1 0 9.64 -999 ? C1 GOL A 301 >MET?A 67 97.21 77.88 3.97 97.60 75.38 7.36 97.40 76.63 5.67 2 0 6.82 -999 ? O2 GOL B 302 >PRO^A 68 95.03 75.50 0.89 94.83 77.44 2.01 94.93 76.47 1.45 3 0 9.08 -999 ? O1 GOL A 301 >PHE^A 69 89.39 79.96 4.53 87.48 80.61 6.47 88.43 80.28 5.50 3 0 -4.03 -999 ? O2 GOL A 301s >VAL^A 70 87.95 75.76 3.48 87.93 73.63 3.93 87.94 74.69 3.71 3 0 9.72 -999 ? C2 GOL A 301 >HIS^A 71 85.16 79.55 1.48 86.34 81.28 1.42 85.75 80.41 1.45 3 0 4.91 -999 ? O3 GOL A 301 >TRP^A 72 79.19 74.26 2.80 76.70 74.71 -0.20 77.94 74.49 1.30 3 0 14.45 -999 ? O3 GOL A 301 >VAL^A 73 82.21 70.76 2.53 83.64 69.84 4.00 82.93 70.30 3.27 3 0 15.30 -999 ? O3 GOL A 301 >VAL^A 74 79.09 68.78 1.76 77.57 69.80 0.48 78.33 69.29 1.12 3 0 18.26 -999 ? O3 GOL A 301 >GLY^A 75 78.37 65.09 1.28 77.73 65.56 1.59 78.05 65.33 1.44 1 0 18.58 -999 ? O2 SO4 B 305 >ASN^A 76 74.64 62.69 2.20 75.79 61.20 3.17 75.21 61.95 2.68 2 0 18.92 -999 ? O2 SO4 B 305 >ILE^A 77 74.83 66.10 -2.91 75.39 67.28 -3.21 75.11 66.69 -3.06 3 0 22.52 -999 ? O2 SO4 B 305 >ALA^A 78 71.33 62.86 -3.63 69.97 62.59 -3.00 70.65 62.72 -3.32 2 0 25.04 -999 ? O2 SO4 B 305 >HIS^A 79 68.48 64.42 -6.59 67.02 63.06 -5.93 67.75 63.74 -6.26 3 0 28.15 -999 ? O2 SO4 B 305 >ASN^A 80 73.33 66.40 -10.79 71.65 66.68 -12.11 72.49 66.54 -11.45 2 0 28.23 -999 ? O3 GOL A 301 >VAL^A 81 72.28 70.28 -7.82 70.25 70.48 -8.82 71.26 70.38 -8.32 3 0 24.46 -999 ? O3 GOL A 301 >LEU^A 82 73.79 72.49 -3.72 74.75 70.99 -2.49 74.27 71.74 -3.11 3 0 19.68 -999 ? O3 GOL A 301 >GLU^A 83 67.12 74.32 -5.07 67.44 73.71 -7.06 67.28 74.01 -6.06 2 0 25.19 -999 ? O3 GOL A 301 >GLU^A 84 70.17 80.91 -3.74 69.74 82.54 -5.03 69.96 81.72 -4.39 2 0 19.92 -999 ? O3 GOL A 301 >ASN^A 85 69.28 79.47 0.56 69.32 80.28 2.54 69.30 79.87 1.55 2 0 19.41 -999 ? O3 GOL A 301 >ALA^A 86 70.98 74.95 0.51 71.63 74.05 -0.49 71.31 74.50 0.01 2 0 19.85 -999 ? O3 GOL A 301 >SER^A 87 73.40 75.29 3.42 75.40 75.88 4.67 74.40 75.59 4.05 2 0 15.75 -999 ? O3 GOL A 301 >MET?A 88 70.77 76.74 5.77 68.30 78.90 7.51 69.54 77.82 6.64 2 0 21.44 -999 ? O3 GOL A 301 >MET?A 89 67.78 74.93 4.16 65.38 77.88 2.23 66.58 76.40 3.19 2 0 23.83 -999 ? O3 GOL A 301 >ASP^A 90 69.76 71.26 1.68 69.54 69.40 0.75 69.65 70.33 1.22 2 0 24.13 -999 ? O3 GOL A 301 >LYS^A 91 68.10 68.89 5.46 68.21 73.19 8.66 68.15 71.04 7.06 2 0 23.98 -999 ? O3 GOL A 301 >ARG^A 92 66.45 65.52 0.99 66.11 67.95 -0.92 66.28 66.73 0.03 2 0 27.86 -999 ? O3 GOL A 301 >ILE^A 93 73.34 68.05 2.18 73.12 69.32 1.50 73.23 68.68 1.84 3 0 21.88 -999 ? O3 GOL A 301 >VAL^A 94 75.50 66.48 5.63 76.52 64.74 6.56 76.01 65.61 6.10 3 0 21.40 -999 ? O2 SO4 B 305 >GLN^A 95 76.38 71.06 4.94 75.37 72.92 5.07 75.88 71.99 5.00 2 0 17.64 -999 ? O3 GOL A 301 >GLY^A 96 81.59 69.58 7.12 81.15 70.28 7.08 81.37 69.93 7.10 1 0 16.68 -999 ? O2 GOL A 301 >VAL^A 97 83.50 72.01 9.32 84.17 71.75 11.39 83.83 71.88 10.36 3 0 14.42 -999 ? O2 GOL A 301 >ASN^A 98 83.85 76.20 6.99 83.01 77.58 8.36 83.43 76.89 7.68 2 0 9.73 -999 ? O2 GOL A 301 >SER^A 99 87.99 77.10 8.28 89.29 76.24 6.48 88.64 76.67 7.38 2 0 8.00 -999 ? O2 GOL A 301 >LEU^A 100 85.09 80.44 10.45 84.68 82.41 9.57 84.89 81.43 10.01 3 0 7.11 -999 ? O2 GOL A 301 >THR^A 101 86.33 77.01 13.23 86.74 74.89 13.38 86.53 75.95 13.31 2 0 12.58 -999 ? O2 GOL A 301 >GLN^A 102 87.81 79.79 17.26 86.46 81.11 18.30 87.14 80.45 17.78 2 0 13.64 -999 ? C3 GOL C 303 >GLY^A 103 87.56 73.57 17.23 88.10 73.72 16.64 87.83 73.65 16.93 1 0 14.02 -999 ? O3 GOL B 302 >PHE^A 104 91.87 74.17 14.75 92.83 76.67 15.58 92.35 75.42 15.17 3 0 10.45 -999 ? O3 GOL B 302 >ILE^A 105 93.42 68.52 17.03 93.59 67.15 16.97 93.50 67.83 17.00 3 0 8.40 -999 ? O3 GOL B 302 >ARG^A 106 98.16 72.38 15.64 101.09 71.44 15.95 99.62 71.91 15.79 2 0 6.36 -999 ? O3 GOL B 302 >SER^A 107 93.00 74.94 19.52 90.77 75.89 19.70 91.88 75.41 19.61 2 0 11.19 -999 ? C3 GOL C 303 >PRO^A 108 93.18 78.39 22.23 93.18 76.15 22.40 93.18 77.27 22.31 3 0 7.50 -999 ? C3 GOL C 303 >LEU^A 109 88.33 75.88 22.81 87.76 77.93 22.22 88.05 76.91 22.51 3 0 11.35 -999 ? O1 GOL C 303 >ASN^A 110 87.88 72.46 27.19 85.96 73.35 27.40 86.92 72.90 27.30 2 0 12.74 -999 ? O1 GOL C 303 >GLU^A 111 86.47 66.87 23.78 86.36 64.86 24.64 86.42 65.87 24.21 2 0 19.00 -999 ? O1 GOL C 303 >SER^A 112 83.19 70.75 24.62 82.82 70.17 26.95 83.01 70.46 25.79 2 0 17.15 -999 ? O1 GOL C 303 >GLU^A 113 83.85 76.09 24.92 85.02 77.70 25.65 84.44 76.89 25.29 2 0 12.32 -999 ? O1 GOL C 303 >LYS^A 114 85.80 72.61 20.33 91.18 69.79 21.47 88.49 71.20 20.90 2 0 13.35 -999 ? O3 GOL B 302 >GLN^A 115 80.81 68.84 20.22 81.11 67.33 18.72 80.96 68.08 19.47 2 0 19.61 -999 ? O3 GOL B 302 >ARG^A 116 78.42 75.91 22.29 75.40 75.47 21.83 76.91 75.69 22.06 2 0 22.89 -999 ? O1 GOL C 303 >SER^A 117 82.59 75.60 17.55 84.53 76.99 16.88 83.56 76.30 17.21 2 0 14.46 -999 ? O2 GOL A 301 >ASN^A 118 83.42 71.38 15.29 85.55 71.34 15.40 84.48 71.36 15.35 2 0 14.44 -999 ? O3 GOL B 302 >LEU^A 119 78.11 71.81 15.90 77.75 69.67 16.32 77.93 70.74 16.11 3 0 20.73 -999 ? O2 GOL A 301 >ASN^A 120 79.28 77.11 15.70 77.83 77.77 17.09 78.55 77.44 16.40 2 0 17.75 -999 ? O2 GOL A 301 >ASN^A 121 82.46 76.54 11.95 82.75 78.31 13.10 82.61 77.43 12.52 2 0 11.82 -999 ? O2 GOL A 301 >SER^A 122 79.62 73.19 9.91 80.12 71.47 11.55 79.87 72.33 10.73 2 0 16.95 -999 ? O2 GOL A 301 >VAL^A 123 78.14 75.42 7.17 77.17 76.80 8.60 77.65 76.11 7.89 3 0 14.54 -999 ? O2 GOL A 301 >TYR^A 124 78.28 78.79 1.97 78.90 80.83 0.17 78.59 79.81 1.07 3 0 10.82 -999 ? O3 GOL A 301 >ILE^A 125 82.13 80.58 5.89 82.43 81.28 6.16 82.28 80.93 6.02 3 0 7.93 -999 ? O2 GOL A 301 >GLY^A 126 81.17 82.94 1.81 81.75 82.98 2.40 81.46 82.96 2.11 1 0 7.27 -999 ? O3 GOL A 301 >PRO^A 127 83.25 83.93 -1.88 83.53 84.34 0.31 83.39 84.14 -0.78 3 0 5.64 -999 ? O3 GOL A 301 >MET?A 128 85.71 87.56 2.20 83.91 86.73 6.07 84.81 87.15 4.14 2 0 -5.73 -999 ? C3 GOL A 301s >PRO^A 129 87.88 88.15 -1.61 88.34 88.17 0.58 88.11 88.16 -0.51 3 0 4.40 -999 ? O3 GOL A 301 >PRO^A 130 91.78 89.32 3.63 90.79 90.45 1.91 91.28 89.89 2.77 3 0 5.11 -999 ? O1 GOL A 301 >ASN^A 131 95.14 90.79 -0.15 94.87 88.86 -1.07 95.01 89.82 -0.61 2 0 6.27 -999 ? O1 GOL A 301 >GLY^A 132 91.91 91.80 -3.50 91.65 91.16 -3.02 91.78 91.48 -3.26 1 0 9.07 -999 ? O1 GOL A 301 >ASP^A 133 89.10 90.05 -7.11 88.34 92.04 -7.29 88.72 91.04 -7.20 2 0 11.95 -999 ? O3 GOL A 301 >HIS^A 134 90.83 85.81 -3.00 92.19 86.24 -1.47 91.51 86.03 -2.23 3 0 -4.66 -999 ? O1 GOL A 301s >HIS^A 135 90.21 83.11 -9.80 90.39 84.36 -11.48 90.30 83.74 -10.64 3 0 12.90 -999 ? O3 GOL A 301 >TYR^A 136 86.50 81.65 -3.99 87.08 83.73 -2.23 86.79 82.69 -3.11 3 0 -5.70 -999 ? O3 GOL A 301s >LEU^A 137 88.79 75.69 -6.55 89.16 73.82 -7.57 88.98 74.76 -7.06 3 0 13.44 -999 ? O3 GOL A 301 >ILE^A 138 82.97 74.58 -7.11 81.74 74.98 -7.31 82.35 74.78 -7.21 3 0 14.73 -999 ? O3 GOL A 301 >GLN^A 139 87.22 69.16 -7.08 89.28 68.89 -6.54 88.25 69.03 -6.81 2 0 17.13 -999 ? O1 SO4 B 305 >VAL^A 140 82.40 68.07 -7.07 80.37 68.64 -7.61 81.39 68.35 -7.34 3 0 19.98 -999 ? O3 GOL A 301 >TYR^A 141 84.75 64.54 -4.97 87.12 65.89 -4.35 85.94 65.21 -4.66 3 0 14.71 -999 ? O2 SO4 B 305 >ALA^A 142 80.51 61.73 -8.10 80.24 61.60 -9.60 80.37 61.67 -8.85 2 0 18.41 -999 ? O2 SO4 B 305 >LEU^A 143 80.10 58.92 -4.40 81.48 60.16 -3.20 80.79 59.54 -3.80 3 0 14.39 -999 ? O2 SO4 B 305 >ASP^A 144 80.12 53.94 -7.09 81.53 53.19 -5.67 80.82 53.57 -6.38 2 0 13.29 -999 ? O2 SO4 B 305 >ILE^A 145 78.32 54.37 -1.91 79.42 54.09 -1.15 78.87 54.23 -1.53 3 0 14.37 -999 ? O2 SO4 B 305 >PRO^A 146 73.53 54.23 -1.33 74.80 55.95 -2.05 74.16 55.09 -1.69 3 0 19.08 -999 ? O2 SO4 B 305 >LYS^A 147 75.46 57.39 1.64 71.00 59.47 5.52 73.23 58.43 3.58 2 0 23.19 -999 ? O2 SO4 B 305 >LEU^A 148 79.33 59.78 3.00 80.44 60.04 1.12 79.89 59.91 2.06 3 0 14.57 -999 ? O2 SO4 B 305 >ALA^A 149 79.15 57.40 6.95 79.71 56.07 7.44 79.43 56.74 7.20 2 0 14.95 -999 ? O2 SO4 B 305 >LEU^A 150 80.14 61.94 7.02 82.03 62.02 5.99 81.08 61.98 6.51 3 0 15.55 -999 ? O2 SO4 B 305 >LYS^A 151 78.18 62.77 11.13 73.59 62.01 11.40 75.88 62.39 11.26 2 0 23.55 -999 ? O2 SO4 B 305 >ALA^A 152 78.70 66.50 11.94 77.71 67.63 11.69 78.20 67.06 11.82 2 0 21.27 -999 ? O3 GOL B 302 >PRO^A 153 81.92 67.33 15.41 80.76 67.15 13.47 81.34 67.24 14.44 3 0 18.05 -999 ? O3 GOL B 302 >PHE^A 154 82.12 65.50 8.37 80.56 66.36 6.20 81.34 65.93 7.29 3 0 18.06 -999 ? O2 SO4 B 305 >PHE^A 155 87.64 68.50 10.59 87.39 69.99 12.96 87.51 69.25 11.77 3 0 11.48 -999 ? O3 GOL B 302 >LEU^A 156 88.63 68.85 4.39 88.58 69.46 2.28 88.60 69.15 3.34 3 0 12.66 -999 ? O3 GOL B 302 >GLY^A 157 89.91 64.62 5.42 89.12 64.70 5.66 89.52 64.66 5.54 1 0 11.18 -999 ? O3 GOL B 302 >ASP^A 158 86.09 63.15 7.99 87.14 63.29 9.76 86.62 63.22 8.88 2 0 12.98 -999 ? O3 GOL B 302 >LEU^A 159 84.82 64.73 2.95 83.28 65.14 1.44 84.05 64.94 2.19 3 0 14.46 -999 ? O2 SO4 B 305 >HIS^A 160 89.30 63.98 0.62 89.14 65.48 -0.84 89.22 64.73 -0.11 3 0 11.78 -999 ? O2 SO4 B 305 >ASP^A 161 88.47 59.01 5.49 90.37 59.61 6.20 89.42 59.31 5.84 2 0 8.02 -999 ? O4 SO4 B 305 >LYS^A 162 84.77 58.01 3.30 85.25 58.05 8.68 85.01 58.03 5.99 2 0 11.76 -999 ? O2 SO4 B 305 >MET?A 163 84.96 58.94 -0.38 84.27 62.88 -1.92 84.62 60.91 -1.15 2 0 13.05 -999 ? O2 SO4 B 305 >ARG^A 164 91.75 56.40 0.50 91.78 58.79 2.44 91.76 57.60 1.47 2 0 -5.49 -999 ? O2 SO4 B 305s >ASN^A 165 87.90 52.83 -2.75 89.82 52.63 -1.87 88.86 52.73 -2.31 2 0 4.41 -999 ? O2 SO4 B 305 >HIS^A 166 83.20 54.43 -2.29 82.98 52.68 -1.15 83.09 53.56 -1.72 3 0 10.28 -999 ? O2 SO4 B 305 >ILE^A 167 86.08 59.32 -6.53 86.59 60.54 -5.98 86.34 59.93 -6.25 3 0 11.70 -999 ? O2 SO4 B 305 >ILE^A 168 82.61 56.81 -10.75 81.37 56.09 -9.98 81.99 56.45 -10.36 3 0 16.09 -999 ? O2 SO4 B 305 >ALA^A 169 84.31 61.16 -11.55 83.29 61.39 -12.68 83.80 61.28 -12.11 2 0 18.50 -999 ? O2 SO4 B 305 >ILE^A 170 86.80 64.81 -9.98 87.78 64.99 -8.99 87.29 64.90 -9.48 3 0 16.43 -999 ? O2 SO4 B 305 >GLY^A 171 84.25 68.10 -11.76 84.63 68.08 -11.00 84.44 68.09 -11.38 1 0 21.19 -999 ? O2 SO4 B 305 >ARG^A 172 89.60 69.46 -11.02 90.67 66.66 -10.23 90.13 68.06 -10.63 2 0 16.94 -999 ? O1 SO4 B 305 >LYS^A 173 84.89 75.03 -11.56 82.22 77.72 -15.68 83.55 76.38 -13.62 2 0 19.96 -999 ? O3 GOL A 301 >GLU^A 174 88.69 77.82 -10.61 90.64 78.54 -11.07 89.67 78.18 -10.84 2 0 14.66 -999 ? O3 GOL A 301 >PHE^A 175 83.03 81.29 -7.77 82.90 80.69 -5.04 82.97 80.99 -6.40 3 0 10.61 -999 ? O3 GOL A 301 >LEU^A 176 85.89 86.27 -9.71 87.69 86.63 -10.86 86.79 86.45 -10.29 3 0 12.57 -999 ? O3 GOL A 301 >TYR^A 177 83.01 87.35 -3.64 81.15 88.78 -2.13 82.08 88.07 -2.89 3 0 8.63 -999 ? O3 GOL A 301 >LYS^A 178 85.39 91.03 -5.29 83.76 94.11 -9.84 84.57 92.57 -7.56 2 0 15.89 -999 ? O3 GOL A 301 >GLN^A 179 89.35 93.92 -1.58 91.02 95.11 -2.01 90.18 94.52 -1.80 2 0 11.16 -999 ? O1 GOL A 301 >PHE^A 180 85.09 91.79 3.05 83.93 92.21 5.57 84.51 92.00 4.31 3 0 8.09 -999 ? C3 GOL A 301 >VAL^A 181 85.15 96.10 2.89 86.69 95.75 4.55 85.92 95.93 3.72 3 0 11.14 -999 ? C3 GOL A 301 >MET?B 1 89.04 67.56 -20.03 90.97 69.07 -17.19 90.01 68.31 -18.61 2 0 23.43 -999 ? O1 SO4 B 305 >LYS^B 2 91.28 64.49 -19.51 90.40 63.32 -25.15 90.84 63.91 -22.33 2 0 27.71 -999 ? O1 SO4 B 305 >THR^B 3 92.72 62.63 -16.53 91.04 61.86 -15.36 91.88 62.25 -15.94 2 0 18.13 -999 ? O1 SO4 B 305 >PHE^B 4 97.72 62.69 -16.40 98.78 64.98 -15.18 98.25 63.83 -15.79 3 0 19.17 -999 ? O1 SO4 B 305 >GLU^B 5 97.61 55.97 -12.97 98.43 53.99 -13.10 98.02 54.98 -13.03 2 0 14.18 -999 ? O1 SO4 B 305 >VAL^B 6 100.27 59.55 -11.28 100.22 61.62 -10.49 100.25 60.58 -10.88 3 0 14.00 -999 ? O1 SO4 B 305 >MET?B 7 102.82 57.28 -9.48 102.16 56.31 -13.06 102.49 56.79 -11.27 2 0 15.52 -999 ? O1 SO4 B 305 >ILE^B 8 104.37 58.33 -5.24 104.14 58.98 -3.99 104.25 58.66 -4.61 3 0 11.28 -999 ? O1 SO4 B 305 >GLN^B 9 108.74 52.73 -4.21 108.45 51.10 -5.57 108.60 51.92 -4.89 2 0 15.05 -999 ? O1 SO4 B 305 >THR^B 10 104.85 53.05 -1.63 102.88 53.93 -2.05 103.87 53.49 -1.84 2 0 8.18 -999 ? O1 SO4 B 305 >ASP^B 11 103.89 50.53 2.21 105.02 50.20 3.90 104.45 50.36 3.05 2 0 10.75 -999 ? O3 SO4 B 305 >SER^B 12 102.58 47.15 0.26 103.32 45.64 2.02 102.95 46.39 1.14 2 0 10.72 -999 ? O3 SO4 B 305 >LYS^B 13 100.31 48.88 2.81 98.16 45.03 6.26 99.24 46.96 4.54 2 0 9.47 -999 ? O3 SO4 B 305 >GLY^B 14 100.47 52.23 0.82 100.98 52.15 1.42 100.72 52.19 1.12 1 0 5.61 -999 ? O3 SO4 B 305 >TYR^B 15 102.29 53.60 5.34 100.13 53.54 7.09 101.21 53.57 6.22 3 0 7.49 -999 ? O4 SO4 B 305 >LEU^B 16 105.54 57.84 1.20 106.81 59.08 -0.07 106.18 58.46 0.56 3 0 11.66 -999 ? O1 SO4 B 305 >ASP^B 17 110.41 55.17 2.28 111.92 54.39 3.56 111.16 54.78 2.92 2 0 16.72 -999 ? O1 GOL B 302 >ALA^B 18 110.09 57.31 6.33 110.73 56.55 7.47 110.41 56.93 6.90 2 0 13.73 -999 ? O1 GOL B 302 >LYS^B 19 112.99 59.22 4.70 114.45 55.60 1.55 113.72 57.41 3.13 2 0 18.21 -999 ? O1 GOL B 302 >PHE^B 20 110.54 60.29 0.69 112.10 58.89 -1.20 111.32 59.59 -0.25 3 0 14.62 -999 ? O1 GOL B 302 >GLY^B 21 108.85 62.93 6.08 109.50 62.63 6.34 109.18 62.78 6.21 1 0 8.44 -999 ? O1 GOL B 302 >GLY^B 22 110.99 63.31 9.13 110.61 62.64 9.05 110.80 62.97 9.09 1 0 9.94 -999 ? C1 GOL B 302 >ASN^B 23 109.48 58.95 10.73 107.71 59.35 11.85 108.59 59.15 11.29 2 0 10.38 -999 ? O1 GOL B 302 >ALA^B 24 113.49 60.14 8.41 113.69 61.24 7.41 113.59 60.69 7.91 2 0 13.33 -999 ? O1 GOL B 302 >PRO^B 25 116.68 57.17 8.00 116.34 59.11 9.07 116.51 58.14 8.53 3 0 17.26 -999 ? O1 GOL B 302 >LYS^B 26 118.84 62.41 10.18 123.74 60.86 13.94 121.29 61.64 12.06 2 0 22.41 -999 ? O2 GOL D 304 >ALA^B 27 120.88 62.05 6.96 121.55 60.76 6.46 121.21 61.40 6.71 2 0 20.78 -999 ? C1 GOL B 302 >PHE^B 28 117.37 60.69 3.90 118.51 58.47 2.63 117.94 59.58 3.26 3 0 18.48 -999 ? O1 GOL B 302 >LEU^B 29 116.48 65.95 8.55 114.75 64.88 9.33 115.62 65.41 8.94 3 0 13.70 -999 ? C1 GOL B 302 >ASN^B 30 117.88 70.72 6.33 116.39 71.69 7.53 117.13 71.21 6.93 2 0 14.83 -999 ? C1 GOL B 302 >SER^B 31 120.54 70.86 9.73 121.07 73.12 9.11 120.81 71.99 9.42 2 0 19.68 -999 ? C1 GOL B 302 >ASN^B 32 116.70 73.46 11.08 117.98 75.19 10.91 117.34 74.33 10.99 2 0 17.61 -999 ? C1 GOL B 302 >GLY^B 33 115.63 68.79 11.56 115.51 69.27 10.96 115.57 69.03 11.26 1 0 13.82 -999 ? C1 GOL B 302 >LEU^B 34 112.99 70.82 8.07 112.02 72.45 9.13 112.51 71.64 8.60 3 0 11.06 -999 ? C1 GOL B 302 >PRO^B 35 110.37 66.55 7.45 112.26 67.29 6.51 111.32 66.92 6.98 3 0 9.40 -999 ? C1 GOL B 302 >THR^B 36 113.17 68.55 2.73 114.30 70.24 3.46 113.73 69.40 3.10 2 0 13.50 -999 ? C1 GOL B 302 >TYR^B 37 115.70 63.28 0.55 117.13 61.52 -1.10 116.41 62.40 -0.28 3 0 17.52 -999 ? O1 GOL B 302 >SER^B 38 111.49 65.06 -1.92 112.17 66.15 -3.98 111.83 65.60 -2.95 2 0 15.97 -999 ? O1 GOL B 302 >PRO^B 39 108.12 62.44 -2.59 110.35 62.30 -2.91 109.23 62.37 -2.75 3 0 13.88 -999 ? O1 GOL B 302 >LYS^B 40 110.46 60.55 -6.86 111.97 56.72 -11.75 111.21 58.64 -9.31 2 0 21.00 -999 ? O1 SO4 B 305 >ILE^B 41 106.22 62.44 -7.90 105.23 63.01 -7.09 105.72 62.73 -7.49 3 0 15.65 -999 ? O1 SO4 B 305 >SER^B 42 106.18 60.45 -12.09 107.01 58.17 -12.13 106.60 59.31 -12.11 2 0 17.81 -999 ? O1 SO4 B 305 >TRP^B 43 103.06 63.40 -15.67 105.37 64.94 -12.90 104.22 64.17 -14.28 3 0 19.96 -999 ? O1 SO4 B 305 >GLN^B 44 99.48 58.49 -17.51 97.75 57.48 -18.33 98.61 57.99 -17.92 2 0 19.42 -999 ? O1 SO4 B 305 >LYS^B 45 103.03 61.54 -20.63 108.50 59.67 -22.75 105.76 60.61 -21.69 2 0 27.44 -999 ? O1 SO4 B 305 >VAL^B 46 100.08 63.56 -21.94 99.11 64.80 -20.37 99.59 64.18 -21.15 3 0 24.28 -999 ? O1 SO4 B 305 >GLU^B 47 98.99 63.10 -27.57 97.95 63.55 -29.38 98.47 63.33 -28.48 2 0 31.52 -999 ? O1 SO4 B 305 >GLY^B 48 100.08 68.25 -26.22 100.42 67.90 -25.58 100.25 68.07 -25.90 1 0 30.60 -999 ? O1 SO4 B 305 >ALA^B 49 101.60 68.90 -22.78 101.68 67.91 -21.63 101.64 68.40 -22.20 2 0 26.81 -999 ? O1 SO4 B 305 >GLN^B 50 103.26 73.08 -24.74 104.37 73.17 -26.54 103.82 73.13 -25.64 2 0 33.65 -999 ? O1 GOL A 301 >SER^B 51 105.03 71.45 -19.31 104.32 73.66 -18.47 104.68 72.56 -18.89 2 0 26.83 -999 ? O1 GOL A 301 >TYR^B 52 103.78 67.68 -16.86 103.56 65.91 -19.01 103.67 66.79 -17.94 3 0 23.86 -999 ? O1 SO4 B 305 >ALA^B 53 103.05 71.38 -12.62 102.45 72.72 -12.57 102.75 72.05 -12.60 2 0 21.39 -999 ? O1 GOL B 302 >LEU^B 54 103.61 68.76 -9.03 104.08 67.28 -7.51 103.85 68.02 -8.27 3 0 16.43 -999 ? O1 GOL B 302 >GLU^B 55 98.49 70.72 -5.91 96.89 72.02 -6.30 97.69 71.37 -6.10 2 0 15.90 -999 ? O1 GOL B 302 >LEU^B 56 102.37 67.65 -2.41 102.50 65.67 -1.54 102.43 66.66 -1.97 3 0 9.97 -999 ? O1 GOL B 302 >ILE^B 57 97.10 69.49 -0.48 97.20 70.97 -0.69 97.15 70.23 -0.58 3 0 10.22 -999 ? O1 GOL B 302 >ASP^B 58 98.33 67.31 4.44 97.68 66.06 6.00 98.01 66.69 5.22 2 0 -4.42 -999 ? O1 GOL B 302s >HIS^B 59 92.55 67.17 1.55 92.47 67.48 -0.52 92.51 67.32 0.51 3 0 11.74 -999 ? O1 GOL B 302 >ASP^B 60 94.71 64.30 7.23 93.73 62.63 6.26 94.22 63.46 6.74 2 0 8.81 -999 ? C3 GOL B 302 >ALA^B 61 95.70 68.76 8.42 96.78 69.63 7.72 96.24 69.19 8.07 2 0 3.75 -999 ? O3 GOL B 302 >GLN^B 62 90.40 71.78 7.40 88.29 71.57 7.32 89.34 71.67 7.36 2 0 11.52 -999 ? O3 GOL B 302 >LYS^B 63 91.29 68.73 11.63 89.04 63.51 11.88 90.16 66.12 11.76 2 0 11.22 -999 ? O3 GOL B 302 >VAL^B 64 94.64 69.42 13.26 96.51 68.24 13.20 95.57 68.83 13.23 3 0 -4.23 -999 ? O3 GOL B 302s >CYH^B 65 95.00 73.14 12.65 96.29 73.42 10.29 95.65 73.28 11.47 2 0 5.44 -999 ? O3 GOL B 302 >GLY^B 66 91.90 74.24 10.76 92.46 73.94 10.27 92.18 74.09 10.51 1 0 8.96 -999 ? O3 GOL B 302 >MET?B 67 93.12 74.27 7.14 93.41 78.53 6.80 93.27 76.40 6.97 2 0 7.02 -999 ? O2 GOL A 301 >PRO^B 68 93.20 72.68 3.04 94.22 72.29 5.00 93.71 72.49 4.02 3 0 9.26 -999 ? O3 GOL B 302 >PHE^B 69 100.57 71.89 5.98 103.16 72.81 6.60 101.86 72.35 6.29 3 0 4.10 -999 ? O2 GOL B 302 >VAL^B 70 100.50 72.83 1.44 100.22 74.37 -0.05 100.36 73.60 0.69 3 0 9.51 -999 ? O2 GOL B 302 >HIS^B 71 102.94 68.65 2.81 102.36 68.17 4.77 102.65 68.41 3.79 3 0 -4.61 -999 ? O1 GOL B 302s >TRP^B 72 107.62 71.23 -3.38 108.85 68.01 -5.30 108.23 69.62 -4.34 3 0 14.28 -999 ? O1 GOL B 302 >VAL^B 73 104.12 73.56 -5.07 102.86 75.34 -4.72 103.49 74.45 -4.89 3 0 15.10 -999 ? O1 GOL B 302 >VAL^B 74 106.04 73.21 -8.31 107.08 71.27 -8.46 106.56 72.24 -8.39 3 0 17.95 -999 ? O1 GOL B 302 >GLY^B 75 105.90 74.60 -11.86 106.66 74.40 -11.61 106.28 74.50 -11.74 1 0 21.75 -999 ? O1 GOL B 302 >ASN^B 76 108.95 75.62 -14.89 108.08 77.53 -15.30 108.52 76.58 -15.10 2 0 25.28 -999 ? O1 GOL A 301 >ILE^B 77 107.52 69.71 -14.22 107.24 68.88 -13.07 107.38 69.30 -13.64 3 0 22.51 -999 ? O1 GOL B 302 >ALA^B 78 109.54 69.90 -18.60 110.94 70.26 -19.13 110.24 70.08 -18.87 2 0 28.88 -999 ? O1 GOL B 302 >HIS^B 79 111.67 66.03 -19.14 112.90 66.78 -20.66 112.29 66.41 -19.90 3 0 29.28 -999 ? O1 SO4 B 305 >ASN^B 80 105.99 62.76 -17.77 107.26 61.22 -18.51 106.63 61.99 -18.14 2 0 23.64 -999 ? O1 SO4 B 305 >VAL^B 81 108.76 63.04 -13.70 110.59 61.84 -13.95 109.68 62.44 -13.83 3 0 21.98 -999 ? O1 SO4 B 305 >LEU^B 82 109.71 65.53 -9.69 108.93 67.51 -9.78 109.32 66.52 -9.74 3 0 19.32 -999 ? O1 GOL B 302 >GLU^B 83 114.91 62.72 -11.91 114.19 60.80 -12.61 114.55 61.76 -12.26 2 0 24.02 -999 ? O1 SO4 B 305 >GLU^B 84 115.06 60.60 -4.11 115.30 58.63 -3.36 115.18 59.61 -3.74 2 0 19.56 -999 ? O1 GOL B 302 >ASN^B 85 117.23 64.67 -3.98 118.04 65.97 -2.46 117.63 65.32 -3.22 2 0 19.50 -999 ? O1 GOL B 302 >ALA^B 86 114.31 67.19 -6.97 113.06 66.86 -7.79 113.69 67.03 -7.38 2 0 19.49 -999 ? O1 GOL B 302 >SER^B 87 113.31 69.98 -4.57 112.20 71.11 -2.74 112.75 70.54 -3.66 2 0 15.65 -999 ? C1 GOL B 302 >MET?B 88 116.99 70.38 -3.58 116.88 71.32 -0.38 116.93 70.85 -1.98 2 0 17.71 -999 ? C1 GOL B 302 >MET?B 89 118.62 69.48 -6.91 121.05 68.49 -4.93 119.84 68.99 -5.92 2 0 23.37 -999 ? C1 GOL B 302 >ASP^B 90 115.10 69.82 -10.14 114.45 69.79 -12.14 114.77 69.81 -11.14 2 0 24.06 -999 ? O1 GOL B 302 >LYS^B 91 117.64 73.62 -11.56 123.56 72.50 -12.30 120.60 73.06 -11.93 2 0 30.42 -999 ? C1 GOL B 302 >ARG^B 92 116.00 72.02 -17.35 114.77 71.06 -20.01 115.38 71.54 -18.68 2 0 31.22 -999 ? O1 GOL B 302 >ILE^B 93 111.35 72.72 -10.93 111.58 71.60 -10.14 111.47 72.16 -10.54 3 0 21.66 -999 ? O1 GOL B 302 >VAL^B 94 110.32 76.77 -9.98 109.10 78.50 -10.58 109.71 77.64 -10.28 3 0 22.74 -999 ? O1 GOL B 302 >GLN^B 95 110.19 74.07 -6.09 111.73 73.06 -5.02 110.96 73.56 -5.56 2 0 17.61 -999 ? C1 GOL B 302 >GLY^B 96 106.15 77.93 -4.45 106.67 77.44 -4.13 106.41 77.69 -4.29 1 0 16.86 -999 ? O2 GOL B 302 >VAL^B 97 105.90 78.78 -0.76 105.91 80.80 0.09 105.90 79.79 -0.33 3 0 14.78 -999 ? O2 GOL B 302 >ASN^B 98 105.76 74.59 1.69 107.27 74.82 3.21 106.52 74.71 2.45 2 0 10.14 -999 ? O2 GOL B 302 >SER^B 99 102.72 76.06 4.56 100.50 75.73 3.69 101.61 75.89 4.13 2 0 8.23 -999 ? O2 GOL B 302 >LEU^B 100 106.88 75.58 7.12 107.33 73.84 8.43 107.11 74.71 7.78 3 0 8.01 -999 ? O2 GOL B 302 >THR^B 101 106.07 79.88 5.85 105.14 81.17 4.41 105.60 80.52 5.13 2 0 13.07 -999 ? O2 GOL B 302 >GLN^B 102 106.78 81.62 10.34 108.26 81.74 11.90 107.52 81.68 11.12 2 0 14.19 -999 ? O2 GOL B 302 >GLY^B 103 105.64 85.25 5.37 104.97 84.83 5.48 105.31 85.04 5.42 1 0 14.56 -999 ? O1 GOL A 301 >PHE^B 104 100.82 83.90 6.51 100.77 83.22 9.24 100.80 83.56 7.88 3 0 10.60 -999 ? C1 GOL A 301 >ILE^B 105 99.11 89.26 3.72 98.59 90.02 2.71 98.85 89.64 3.22 3 0 8.91 -999 ? O1 GOL A 301 >ARG^B 106 95.62 87.40 8.83 92.72 87.88 7.92 94.17 87.64 8.37 2 0 5.51 -999 ? C1 GOL A 301 >SER^B 107 101.90 87.30 9.77 104.15 86.39 9.94 103.03 86.84 9.86 2 0 14.54 -999 ? C1 GOL A 301 >PRO^B 108 103.56 87.44 13.79 103.05 88.95 12.19 103.31 88.20 12.99 3 0 14.75 -999 ? O3 GOL C 303 >LEU^B 109 107.44 88.37 10.15 108.31 86.62 11.05 107.87 87.50 10.60 3 0 18.32 -999 ? C1 GOL A 301 >ASN^B 110 109.13 93.71 9.72 111.14 93.24 9.06 110.13 93.47 9.39 2 0 22.37 -999 ? C1 GOL A 301 >GLU^B 111 107.29 94.19 3.20 105.56 92.91 3.08 106.42 93.55 3.14 2 0 16.31 -999 ? O1 GOL A 301 >SER^B 112 111.60 92.06 4.88 114.00 92.23 5.30 112.80 92.14 5.09 2 0 23.96 -999 ? O1 GOL A 301 >GLU^B 113 112.16 89.67 9.63 111.39 90.45 11.47 111.77 90.06 10.55 2 0 20.72 -999 ? O3 GOL C 303 >LYS^B 114 108.35 87.86 5.35 102.97 90.79 7.21 105.66 89.32 6.28 2 0 13.74 -999 ? C1 GOL A 301 >GLN^B 115 111.64 88.85 0.17 110.35 88.67 -1.51 111.00 88.76 -0.67 2 0 19.68 -999 ? O1 GOL A 301 >ARG^B 116 115.68 87.46 5.80 117.48 86.23 7.94 116.58 86.85 6.87 2 0 23.32 -999 ? O2 GOL B 302 >SER^B 117 110.56 83.28 5.30 109.01 82.50 6.98 109.78 82.89 6.14 2 0 15.20 -999 ? O2 GOL B 302 >ASN^B 118 107.97 83.97 1.19 106.13 84.52 2.15 107.05 84.25 1.67 2 0 14.71 -999 ? O1 GOL A 301 >LEU^B 119 113.06 83.21 -0.23 113.13 84.54 -1.97 113.10 83.87 -1.10 3 0 21.32 -999 ? O2 GOL B 302 >ASN^B 120 113.59 80.32 4.24 115.44 81.42 4.45 114.51 80.87 4.34 2 0 19.18 -999 ? O2 GOL B 302 >ASN^B 121 109.03 78.20 3.55 109.70 78.32 5.58 109.36 78.26 4.56 2 0 12.76 -999 ? O2 GOL B 302 >SER^B 122 109.89 77.71 -1.23 109.73 80.08 -1.84 109.81 78.90 -1.53 2 0 17.56 -999 ? O2 GOL B 302 >VAL^B 123 110.72 73.99 -1.09 112.41 74.33 0.33 111.57 74.16 -0.38 3 0 14.60 -999 ? C1 GOL B 302 >TYR^B 124 109.22 68.00 -0.47 108.45 65.58 0.66 108.83 66.79 0.10 3 0 10.70 -999 ? O1 GOL B 302 >ILE^B 125 107.90 71.09 4.14 107.99 71.07 4.98 107.94 71.08 4.56 3 0 7.89 -999 ? C1 GOL B 302 >GLY^B 126 107.50 66.30 3.91 107.28 66.88 4.41 107.39 66.59 4.16 1 0 7.19 -999 ? O1 GOL B 302 >PRO^B 127 104.55 63.17 4.13 105.18 64.90 5.44 104.87 64.04 4.78 3 0 5.33 -999 ? O1 GOL B 302 >MET?B 128 104.92 65.30 9.69 108.12 68.23 10.03 106.52 66.76 9.86 2 0 -6.13 -999 ? C1 GOL B 302s >PRO^B 129 101.78 62.16 9.74 102.19 64.19 10.60 101.98 63.17 10.17 3 0 4.24 -999 ? O1 GOL B 302 >PRO^B 130 100.21 66.78 14.23 101.07 64.72 13.92 100.64 65.75 14.08 3 0 -4.67 -999 ? C3 GOL B 302s >ASN^B 131 96.55 63.73 15.33 95.91 63.93 13.30 96.23 63.83 14.31 2 0 6.22 -999 ? O3 GOL B 302 >GLY^B 132 98.07 59.70 13.47 98.41 60.37 13.04 98.24 60.03 13.26 1 0 9.00 -999 ? C3 GOL B 302 >ASP^B 133 98.63 57.05 9.41 99.56 55.56 10.65 99.09 56.31 10.03 2 0 9.50 -999 ? O4 SO4 B 305 >HIS^B 134 97.80 63.15 8.43 97.34 64.49 9.99 97.57 63.82 9.21 3 0 -4.64 -999 ? C3 GOL B 302s >HIS^B 135 94.99 58.83 3.21 94.40 56.89 3.77 94.70 57.86 3.49 3 0 -4.27 -999 ? O4 SO4 B 305s >TYR^B 136 100.41 63.50 2.83 101.01 63.87 5.55 100.71 63.69 4.19 3 0 -4.95 -999 ? O1 GOL B 302s >LEU^B 137 95.80 64.87 -2.17 94.71 65.10 -4.05 95.25 64.98 -3.11 3 0 11.12 -999 ? O1 SO4 B 305 >ILE^B 138 100.48 63.72 -5.68 101.61 63.05 -5.82 101.04 63.38 -5.75 3 0 12.41 -999 ? O1 SO4 B 305 >GLN^B 139 95.48 67.63 -8.29 93.78 68.10 -7.09 94.63 67.87 -7.69 2 0 15.70 -999 ? O1 SO4 B 305 >VAL^B 140 99.55 66.98 -11.30 101.35 65.76 -11.73 100.45 66.37 -11.51 3 0 17.79 -999 ? O1 SO4 B 305 >TYR^B 141 97.50 71.10 -12.49 95.88 71.43 -10.23 96.69 71.26 -11.36 3 0 19.92 -999 ? O1 GOL A 301 >ALA^B 142 99.39 69.04 -17.74 98.96 67.83 -18.56 99.18 68.44 -18.15 2 0 23.69 -999 ? O1 SO4 B 305 >LEU^B 143 100.61 73.40 -18.60 100.12 74.03 -16.61 100.37 73.72 -17.61 3 0 24.45 -999 ? O1 GOL A 301 >ASP^B 144 98.39 73.84 -23.71 97.42 75.74 -23.37 97.90 74.79 -23.54 2 0 27.85 -999 ? O1 GOL A 301 >ILE^B 145 102.12 77.69 -22.06 101.37 78.73 -21.57 101.75 78.21 -21.81 3 0 27.01 -999 ? O1 GOL A 301 >PRO^B 146 106.74 76.91 -23.69 105.57 75.68 -22.20 106.15 76.29 -22.94 3 0 30.41 -999 ? O1 GOL A 301 >LYS^B 147 106.90 77.70 -19.04 112.32 77.29 -20.47 109.61 77.50 -19.75 2 0 31.77 -999 ? O1 GOL A 301 >LEU^B 148 104.31 78.93 -15.21 102.72 77.42 -15.43 103.51 78.18 -15.32 3 0 22.34 -999 ? O1 GOL A 301 >ALA^B 149 105.62 83.23 -15.60 104.95 84.43 -16.26 105.29 83.83 -15.93 2 0 22.94 -999 ? O1 GOL A 301 >LEU^B 150 105.83 81.21 -11.43 103.72 80.79 -10.99 104.77 81.00 -11.21 3 0 19.34 -999 ? O1 GOL A 301 >LYS^B 151 109.36 83.61 -9.78 112.54 87.80 -9.46 110.95 85.70 -9.62 2 0 24.34 -999 ? O1 GOL A 301 >ALA^B 152 109.91 82.64 -6.13 110.95 81.66 -5.59 110.43 82.15 -5.86 2 0 21.28 -999 ? O1 GOL A 301 >PRO^B 153 108.66 85.94 -2.85 108.85 84.12 -4.17 108.75 85.03 -3.51 3 0 18.27 -999 ? O1 GOL A 301 >PHE^B 154 105.21 81.19 -7.14 105.95 78.68 -8.05 105.58 79.94 -7.59 3 0 17.92 -999 ? O1 GOL A 301 >PHE^B 155 101.79 82.49 -1.44 103.20 83.63 0.72 102.50 83.06 -0.36 3 0 11.51 -999 ? O1 GOL A 301 >LEU^B 156 98.73 77.30 -3.55 98.18 75.24 -4.07 98.46 76.27 -3.81 3 0 12.61 -999 ? O1 GOL A 301 >GLY^B 157 96.99 80.90 -5.73 97.77 80.77 -5.97 97.38 80.84 -5.85 1 0 10.49 -999 ? O1 GOL A 301 >ASP^B 158 100.96 82.92 -7.58 100.71 84.58 -6.27 100.83 83.75 -6.93 2 0 12.61 -999 ? O1 GOL A 301 >LEU^B 159 100.60 77.59 -8.73 101.11 75.93 -10.09 100.86 76.76 -9.41 3 0 17.03 -999 ? O1 GOL A 301 >HIS^B 160 95.54 77.07 -8.82 95.39 75.07 -8.22 95.46 76.07 -8.52 3 0 14.45 -999 ? O1 GOL A 301 >ASP^B 161 96.98 83.47 -11.27 95.72 84.08 -9.67 96.35 83.78 -10.47 2 0 12.70 -999 ? O1 GOL A 301 >LYS^B 162 99.30 81.23 -14.33 101.08 85.90 -12.81 100.19 83.57 -13.57 2 0 17.94 -999 ? O1 GOL A 301 >MET?B 163 97.75 77.85 -15.18 98.68 74.56 -12.64 98.21 76.20 -13.91 2 0 19.48 -999 ? O1 GOL A 301 >ARG^B 164 91.51 81.34 -13.98 92.96 81.83 -11.30 92.23 81.59 -12.64 2 0 13.97 -999 ? O1 GOL A 301 >ASN^B 165 92.86 79.66 -19.98 91.43 80.94 -19.06 92.15 80.30 -19.52 2 0 21.67 -999 ? O1 GOL A 301 >HIS^B 166 97.56 78.28 -20.21 97.66 80.12 -21.21 97.61 79.20 -20.71 3 0 24.44 -999 ? O1 GOL A 301 >ILE^B 167 94.54 72.91 -16.85 94.32 73.03 -15.65 94.43 72.97 -16.25 3 0 22.18 -999 ? O1 GOL A 301 >ILE^B 168 95.49 69.93 -21.98 96.56 70.33 -22.94 96.02 70.13 -22.46 3 0 27.93 -999 ? O1 SO4 B 305 >ALA^B 169 94.61 67.39 -18.03 95.18 66.13 -18.72 94.90 66.76 -18.37 2 0 22.61 -999 ? O1 SO4 B 305 >ILE^B 170 93.77 67.38 -13.40 93.37 68.44 -12.61 93.57 67.91 -13.01 3 0 19.21 -999 ? O1 SO4 B 305 >GLY^B 171 96.21 63.59 -12.42 96.11 64.28 -11.96 96.16 63.94 -12.19 1 0 15.97 -999 ? O1 SO4 B 305 >ARG^B 172 92.11 64.21 -7.88 91.25 62.98 -5.12 91.68 63.60 -6.50 2 0 10.98 -999 ? O1 SO4 B 305 >LYS^B 173 97.40 60.22 -6.42 98.42 54.76 -6.36 97.91 57.49 -6.39 2 0 7.75 -999 ? O1 SO4 B 305 >GLU^B 174 94.78 60.26 -2.34 93.06 59.93 -1.13 93.92 60.10 -1.73 2 0 6.08 -999 ? O1 SO4 B 305 >PHE^B 175 101.83 59.63 -0.41 102.92 62.14 0.13 102.37 60.89 -0.14 3 0 9.62 -999 ? O1 SO4 B 305 >LEU^B 176 99.72 56.01 3.99 97.56 55.88 4.12 98.64 55.95 4.05 3 0 -4.86 -999 ? O4 SO4 B 305s >TYR^B 177 104.82 59.97 6.13 107.41 60.16 7.16 106.12 60.07 6.65 3 0 8.20 -999 ? O1 GOL B 302 >LYS^B 178 103.09 57.19 9.48 102.90 51.28 9.56 103.00 54.23 9.52 2 0 11.00 -999 ? O4 SO4 B 305 >GLN^B 179 101.63 59.79 14.81 100.52 59.06 16.45 101.08 59.42 15.63 2 0 10.91 -999 ? C3 GOL B 302 >PHE^B 180 106.78 63.47 13.43 108.76 65.05 14.63 107.77 64.26 14.03 3 0 8.48 -999 ? C1 GOL B 302 >VAL^B 181 106.42 61.11 17.23 105.84 59.09 18.13 106.13 60.10 17.68 3 0 12.43 -999 ? C1 GOL B 302 >ARG^B 182 110.96 65.81 18.80 108.13 67.05 18.37 109.55 66.43 18.58 2 0 11.13 -999 ? C2 GOL B 302 >MET?C 1 109.79 83.42 58.20 110.45 83.39 53.85 110.12 83.40 56.03 2 0 23.66 -999 ? O3 GOL D 304 >LYS^C 2 106.72 85.62 57.86 107.29 88.40 63.45 107.01 87.01 60.66 2 0 34.83 -999 ? O3 GOL D 304 >THR^C 3 104.02 86.44 55.38 102.86 84.61 55.42 103.44 85.53 55.40 2 0 27.22 -999 ? O1 GOL C 303 >PHE^C 4 103.81 90.67 53.29 105.48 90.53 51.08 104.65 90.60 52.18 3 0 25.91 -999 ? O2 GOL C 303 >GLU^C 5 97.59 92.12 54.26 95.68 92.90 54.84 96.64 92.51 54.55 2 0 28.51 -999 ? O1 GOL C 303 >VAL^C 6 98.91 91.74 49.16 100.52 91.01 47.86 99.71 91.37 48.51 3 0 22.09 -999 ? O2 GOL C 303 >MET?C 7 96.12 93.71 47.47 96.87 94.74 50.97 96.49 94.22 49.22 2 0 25.82 -999 ? O2 GOL C 303 >ILE^C 8 95.19 93.23 42.97 95.10 92.45 41.82 95.14 92.84 42.39 3 0 17.83 -999 ? O2 GOL C 303 >GLN^C 9 90.00 98.03 42.87 89.90 99.76 41.63 89.95 98.90 42.25 2 0 23.50 -999 ? O2 GOL C 303 >THR^C 10 88.88 93.57 41.82 89.75 91.79 42.61 89.31 92.68 42.21 2 0 18.88 -999 ? O1 GOL C 303 >ASP^C 11 84.73 91.68 40.47 83.89 92.20 38.67 84.31 91.94 39.57 2 0 19.75 -999 ? O1 GOL C 303 >SER^C 12 82.87 91.94 44.18 80.83 92.88 43.16 81.85 92.41 43.67 2 0 24.44 -999 ? O1 GOL C 303 >LYS^C 13 83.41 88.54 42.49 78.41 88.33 40.15 80.91 88.43 41.32 2 0 22.60 -999 ? O1 GOL C 303 >GLY^C 14 87.24 88.82 42.46 86.84 89.02 41.80 87.04 88.92 42.13 1 0 18.24 -999 ? O1 GOL C 303 >TYR^C 15 86.03 88.30 37.54 85.09 85.69 37.28 85.56 86.99 37.41 3 0 15.21 -999 ? O1 GOL C 303 >LEU^C 16 91.75 91.80 37.20 93.56 92.90 37.51 92.65 92.35 37.35 3 0 14.67 -999 ? O2 GOL C 303 >ASP^C 17 88.80 96.26 35.25 87.85 96.87 37.07 88.32 96.57 36.16 2 0 20.01 -999 ? O2 GOL C 303 >ALA^C 18 88.83 93.97 31.38 87.69 94.39 30.47 88.26 94.18 30.93 2 0 16.16 -999 ? C2 GOL C 303 >LYS^C 19 91.44 96.63 30.71 90.87 101.57 34.45 91.15 99.10 32.58 2 0 21.50 -999 ? O2 GOL C 303 >PHE^C 20 94.15 95.79 34.59 93.80 98.22 35.97 93.98 97.01 35.28 3 0 16.78 -999 ? O2 GOL C 303 >GLY^C 21 94.00 91.66 30.00 93.58 92.29 29.68 93.79 91.97 29.84 1 0 10.42 -999 ? O2 GOL C 303 >GLY^C 22 92.94 90.37 26.56 92.46 90.72 27.09 92.70 90.54 26.83 1 0 9.58 -999 ? C3 GOL C 303 >ASN^C 23 88.35 91.09 27.77 88.11 89.03 27.41 88.23 90.06 27.59 2 0 11.82 -999 ? C3 GOL C 303 >ALA^C 24 90.58 95.33 27.25 92.00 95.82 27.42 91.29 95.58 27.34 2 0 14.93 -999 ? O2 GOL C 303 >PRO^C 25 88.06 98.96 26.93 89.23 97.59 25.57 88.65 98.27 26.25 3 0 18.58 -999 ? C3 GOL C 303 >LYS^C 26 91.54 98.36 22.07 88.55 100.21 17.08 90.04 99.29 19.57 2 0 19.91 -999 ? O2 GOL A 301 >ALA^C 27 92.74 101.68 23.56 91.82 102.81 23.98 92.28 102.24 23.77 2 0 21.55 -999 ? O3 GOL C 303 >PHE^C 28 93.18 100.44 28.49 92.33 102.61 30.03 92.76 101.53 29.26 3 0 19.96 -999 ? O2 GOL C 303 >LEU^C 29 95.28 96.15 23.17 93.94 94.51 23.71 94.61 95.33 23.44 3 0 13.71 -999 ? O3 GOL C 303 >ASN^C 30 100.74 97.29 22.90 101.08 95.36 22.03 100.91 96.33 22.46 2 0 13.63 -999 ? O3 GOL C 303 >SER^C 31 100.17 98.10 18.67 102.41 99.07 18.82 101.29 98.59 18.74 2 0 18.38 -999 ? O3 GOL C 303 >ASN^C 32 101.34 93.38 18.24 103.25 94.37 18.44 102.30 93.87 18.34 2 0 14.70 -999 ? O3 GOL C 303 >GLY^C 33 96.88 93.99 20.20 97.55 93.86 20.54 97.21 93.93 20.37 1 0 12.94 -999 ? O3 GOL C 303 >LEU^C 34 99.85 92.26 23.51 100.79 90.53 22.53 100.32 91.39 23.02 3 0 9.48 -999 ? O3 GOL C 303 >PRO^C 35 96.56 91.45 27.26 97.50 93.34 26.46 97.03 92.39 26.86 3 0 10.12 -999 ? O3 GOL C 303 >THR^C 36 100.39 95.61 28.41 101.41 96.09 26.56 100.90 95.85 27.48 2 0 13.90 -999 ? O3 GOL C 303 >TYR^C 37 97.04 99.84 31.34 96.34 101.97 33.01 96.69 100.90 32.17 3 0 18.92 -999 ? O2 GOL C 303 >SER^C 38 99.58 96.69 34.40 101.53 97.94 35.16 100.55 97.32 34.78 2 0 17.15 -999 ? O2 GOL C 303 >PRO^C 39 97.34 94.46 37.42 97.70 96.63 36.92 97.52 95.54 37.17 3 0 15.82 -999 ? O2 GOL C 303 >LYS^C 40 98.29 98.58 40.69 97.36 103.15 44.97 97.82 100.87 42.83 2 0 26.57 -999 ? O2 GOL C 303 >ILE^C 41 100.10 94.80 42.70 100.24 93.60 42.18 100.17 94.20 42.44 3 0 18.41 -999 ? O2 GOL C 303 >SER^C 42 100.18 96.92 46.85 98.18 98.12 47.58 99.18 97.52 47.22 2 0 24.82 -999 ? O2 GOL C 303 >TRP^C 43 104.61 94.84 49.78 104.64 95.69 45.94 104.63 95.27 47.86 3 0 24.11 -999 ? O2 GOL C 303 >GLN^C 44 100.89 93.89 54.85 99.84 93.08 56.51 100.36 93.48 55.68 2 0 30.14 -999 ? O2 GOL C 303 >LYS^C 45 105.32 97.21 54.44 105.04 102.09 53.70 105.18 99.65 54.07 2 0 32.71 -999 ? O2 GOL C 303 >VAL^C 46 107.58 94.75 56.21 108.08 92.85 55.06 107.83 93.80 55.63 3 0 30.96 -999 ? O2 GOL C 303 >GLU^C 47 110.89 94.65 61.39 110.79 92.79 62.48 110.84 93.72 61.94 2 0 36.06 -999 ? O3 GOL D 304 >GLY^C 48 113.48 95.34 57.68 112.89 95.48 57.16 113.19 95.41 57.42 1 0 34.17 -999 ? O3 GOL D 304 >ALA^C 49 112.51 95.25 54.00 111.09 95.13 53.47 111.80 95.19 53.73 2 0 30.78 -999 ? O2 GOL C 303 >GLN^C 50 116.74 97.49 53.40 118.85 97.51 53.62 117.79 97.50 53.51 2 0 33.41 -999 ? O1 GOL D 304 >SER^C 51 113.33 96.29 48.43 115.00 94.86 47.44 114.16 95.57 47.93 2 0 27.21 -999 ? O1 GOL D 304 >TYR^C 52 108.88 95.10 48.67 108.37 96.09 51.22 108.63 95.59 49.94 3 0 27.19 -999 ? O2 GOL C 303 >ALA^C 53 110.22 91.70 44.10 111.33 90.70 43.87 110.78 91.20 43.98 2 0 21.68 -999 ? O2 GOL C 303 >LEU^C 54 106.13 91.56 42.07 104.06 91.71 41.34 105.10 91.64 41.71 3 0 17.45 -999 ? O2 GOL C 303 >GLU^C 55 106.26 85.34 41.34 107.60 83.81 41.89 106.93 84.58 41.61 2 0 16.31 -999 ? O2 GOL C 303 >LEU^C 56 101.98 88.29 37.78 99.82 88.57 37.43 100.90 88.43 37.61 3 0 11.26 -999 ? O2 GOL C 303 >ILE^C 57 102.92 82.47 38.14 104.15 81.57 38.08 103.53 82.02 38.11 3 0 10.95 -999 ? O2 GOL C 303 >ASP^C 58 98.59 81.97 34.44 96.69 81.11 34.03 97.64 81.54 34.23 2 0 4.80 -999 ? O1 GOL C 303 >HIS^C 59 99.59 78.07 39.65 101.24 78.51 40.87 100.41 78.29 40.26 3 0 11.79 -999 ? O1 GOL C 303 >ASP^C 60 94.40 78.28 35.29 93.38 78.08 37.16 93.89 78.18 36.23 2 0 8.72 -999 ? O1 GOL C 303 >ALA^C 61 97.92 77.70 32.14 98.94 78.77 31.87 98.43 78.23 32.01 2 0 3.82 -999 ? O1 GOL C 303 >GLN^C 62 100.79 72.46 33.84 100.76 70.84 35.24 100.78 71.65 34.54 2 0 11.89 -999 ? O1 GOL C 303 >LYS^C 63 96.20 72.52 31.46 90.79 71.65 34.09 93.50 72.08 32.78 2 0 11.37 -999 ? O1 GOL C 303 >VAL^C 64 96.32 74.61 28.29 95.30 76.57 28.05 95.81 75.59 28.17 3 0 4.83 -999 ? O1 GOL C 303 >CYH^C 65 99.96 74.41 27.21 101.14 76.68 28.26 100.55 75.54 27.73 2 0 5.22 -999 ? C1 GOL C 303 >GLY^C 66 101.72 72.06 29.60 101.67 72.83 29.87 101.69 72.44 29.73 1 0 9.44 -999 ? C1 GOL C 303 >MET?C 67 103.39 74.58 31.86 107.25 74.06 30.23 105.32 74.32 31.04 2 0 7.27 -999 ? O2 GOL D 304 >PRO^C 68 103.66 76.38 35.80 102.69 76.90 33.84 103.17 76.64 34.82 3 0 9.36 -999 ? O1 GOL C 303 >PHE^C 69 101.90 82.34 30.34 102.54 84.14 28.33 102.22 83.24 29.34 3 0 -3.79 -999 ? O2 GOL C 303s >VAL^C 70 104.84 83.77 33.60 106.95 83.76 34.24 105.90 83.77 33.92 3 0 9.25 -999 ? O2 GOL C 303 >HIS^C 71 100.54 86.43 33.05 99.12 85.47 31.85 99.83 85.95 32.45 3 0 5.52 -999 ? O2 GOL C 303 >TRP^C 72 105.72 92.53 34.82 103.73 95.07 37.11 104.72 93.80 35.96 3 0 14.95 -999 ? O2 GOL C 303 >VAL^C 73 108.49 89.51 36.98 110.17 88.28 36.18 109.33 88.90 36.58 3 0 14.95 -999 ? O2 GOL C 303 >VAL^C 74 109.73 92.66 38.74 108.24 94.29 38.64 108.99 93.48 38.69 3 0 18.31 -999 ? O2 GOL C 303 >GLY^C 75 112.82 93.40 40.83 112.48 94.03 40.44 112.65 93.71 40.63 1 0 21.84 -999 ? O2 GOL C 303 >ASN^C 76 115.17 97.12 41.84 116.91 95.90 41.67 116.04 96.51 41.75 2 0 25.43 -999 ? O1 GOL D 304 >ILE^C 77 109.45 96.83 44.08 108.26 96.25 43.64 108.85 96.54 43.86 3 0 23.31 -999 ? O2 GOL C 303 >ALA^C 78 111.68 100.42 46.54 112.30 101.77 46.18 111.99 101.10 46.36 2 0 29.63 -999 ? O2 GOL C 303 >HIS^C 79 108.52 103.33 47.89 109.88 104.92 47.92 109.20 104.13 47.90 3 0 31.04 -999 ? O2 GOL C 303 >ASN^C 80 104.78 98.53 50.54 103.65 100.23 51.14 104.22 99.38 50.84 2 0 29.34 -999 ? O2 GOL C 303 >VAL^C 81 103.37 99.48 45.92 102.39 101.46 45.63 102.88 100.47 45.78 3 0 25.42 -999 ? O2 GOL C 303 >LEU^C 82 103.77 97.90 41.41 105.66 97.07 40.72 104.71 97.48 41.06 3 0 20.60 -999 ? O2 GOL C 303 >GLU^C 83 101.22 104.53 41.29 100.71 104.14 43.32 100.97 104.34 42.31 2 0 26.43 -999 ? O2 GOL C 303 >GLU^C 84 96.59 101.40 36.78 94.57 102.04 36.91 95.58 101.72 36.85 2 0 21.75 -999 ? O2 GOL C 303 >ASN^C 85 100.18 102.37 33.74 100.83 102.25 31.72 100.51 102.31 32.73 2 0 20.18 -999 ? O2 GOL C 303 >ALA^C 86 104.02 100.58 36.28 104.22 99.92 37.63 104.12 100.25 36.96 2 0 20.54 -999 ? O2 GOL C 303 >SER^C 87 105.28 98.21 33.60 105.52 96.24 32.22 105.40 97.23 32.91 2 0 15.87 -999 ? O2 GOL C 303 >MET?C 88 105.14 100.98 31.02 102.31 100.49 27.93 103.72 100.74 29.47 2 0 18.38 -999 ? O2 GOL C 303 >MET?C 89 106.00 104.00 33.21 102.45 106.34 33.36 104.23 105.17 33.28 2 0 24.68 -999 ? O2 GOL C 303 >ASP^C 90 107.63 102.00 37.31 108.82 102.08 39.04 108.23 102.04 38.18 2 0 24.54 -999 ? O2 GOL C 303 >LYS^C 91 111.75 103.45 35.24 109.58 103.05 30.64 110.66 103.25 32.94 2 0 23.41 -999 ? O2 GOL C 303 >ARG^C 92 112.19 105.36 40.91 111.91 105.27 44.00 112.05 105.31 42.45 2 0 30.67 -999 ? O2 GOL C 303 >ILE^C 93 110.69 98.29 38.71 109.79 98.35 38.31 110.24 98.32 38.51 3 0 22.11 -999 ? O2 GOL C 303 >VAL^C 94 113.84 96.07 36.56 115.77 95.54 37.47 114.80 95.80 37.02 3 0 22.67 -999 ? O2 GOL C 303 >GLN^C 95 109.62 95.41 34.54 108.25 96.53 33.38 108.93 95.97 33.96 2 0 17.75 -999 ? O2 GOL C 303 >GLY^C 96 112.07 90.19 33.55 111.41 90.56 33.25 111.74 90.38 33.40 1 0 16.34 -999 ? O2 GOL C 303 >VAL^C 97 111.20 88.13 30.48 112.58 87.27 29.05 111.89 87.70 29.77 3 0 14.30 -999 ? O2 GOL C 303 >ASN^C 98 106.35 87.99 30.24 105.89 88.74 28.28 106.12 88.36 29.26 2 0 9.57 -999 ? O2 GOL C 303 >SER^C 99 106.31 83.74 28.85 106.15 82.17 30.73 106.23 82.96 29.79 2 0 7.88 -999 ? O2 GOL C 303 >LEU^C 100 104.58 86.51 25.08 102.42 86.67 24.78 103.50 86.59 24.93 3 0 6.37 -999 ? O3 GOL C 303 >THR^C 101 109.07 85.31 24.63 110.83 84.86 25.78 109.95 85.09 25.20 2 0 12.34 -999 ? O3 GOL C 303 >GLN^C 102 108.74 83.20 20.10 108.36 81.10 20.64 108.55 82.15 20.37 2 0 11.02 -999 ? O3 GOL C 303 >GLY^C 103 114.09 84.06 23.32 113.69 83.44 23.64 113.89 83.75 23.48 1 0 14.25 -999 ? O1 GOL D 304 >PHE^C 104 112.27 79.55 24.91 110.35 78.73 22.99 111.31 79.14 23.95 3 0 10.67 -999 ? O1 GOL D 304 >ILE^C 105 118.28 77.86 25.82 119.39 77.72 26.56 118.84 77.79 26.19 3 0 8.83 -999 ? O1 GOL D 304 >ARG^C 106 114.27 72.49 24.67 115.00 71.05 27.28 114.64 71.77 25.97 2 0 -4.55 -999 ? O2 GOL D 304s >SER^C 107 114.06 78.38 20.69 113.44 80.60 19.96 113.75 79.49 20.32 2 0 14.31 -999 ? O1 GOL D 304 >PRO^C 108 112.35 78.33 16.73 114.44 78.14 17.56 113.40 78.23 17.14 3 0 15.73 -999 ? O1 GOL D 304 >LEU^C 109 115.08 82.99 17.23 113.13 83.85 16.88 114.10 83.42 17.06 3 0 17.72 -999 ? O3 GOL C 303 >ASN^C 110 120.17 83.57 15.15 119.74 85.63 14.81 119.95 84.60 14.98 2 0 22.06 -999 ? O1 GOL D 304 >GLU^C 111 123.11 83.23 20.40 122.02 82.63 22.12 122.56 82.93 21.26 2 0 15.87 -999 ? O1 GOL D 304 >SER^C 112 120.56 88.21 18.43 120.50 89.03 16.13 120.53 88.62 17.28 2 0 23.50 -999 ? O1 GOL D 304 >GLU^C 113 116.84 86.86 15.12 116.42 85.22 13.80 116.63 86.04 14.46 2 0 21.55 -999 ? O3 GOL C 303 >LYS^C 114 116.58 85.83 21.00 118.39 79.75 21.30 117.49 82.79 21.15 2 0 13.30 -999 ? O1 GOL D 304 >GLN^C 115 119.85 90.79 22.95 120.37 90.45 24.97 120.11 90.62 23.96 2 0 20.01 -999 ? O1 GOL D 304 >ARG^C 116 114.59 92.22 17.18 112.54 94.51 16.69 113.56 93.37 16.94 2 0 20.46 -999 ? O3 GOL C 303 >SER^C 117 112.66 88.83 21.71 111.09 87.00 21.44 111.88 87.92 21.58 2 0 13.87 -999 ? O3 GOL C 303 >ASN^C 118 114.87 88.04 25.99 115.05 85.91 25.73 114.96 86.97 25.86 2 0 14.64 -999 ? O1 GOL D 304 >LEU^C 119 114.93 93.29 24.88 116.85 93.90 25.79 115.89 93.59 25.33 3 0 20.46 -999 ? O3 GOL C 303 >ASN^C 120 110.08 92.54 22.41 111.03 93.69 20.85 110.56 93.11 21.63 2 0 17.37 -999 ? O3 GOL C 303 >ASN^C 121 108.65 89.22 26.02 107.86 88.93 24.06 108.26 89.07 25.04 2 0 11.32 -999 ? O3 GOL C 303 >SER^C 122 110.52 92.08 29.48 112.84 91.66 28.99 111.68 91.87 29.23 2 0 16.91 -999 ? O2 GOL C 303 >VAL^C 123 107.16 93.65 30.40 106.93 94.55 28.34 107.04 94.10 29.37 3 0 14.37 -999 ? O2 GOL C 303 >TYR^C 124 101.53 93.41 33.04 98.84 92.85 33.52 100.18 93.13 33.28 3 0 11.85 -999 ? O2 GOL C 303 >ILE^C 125 102.17 89.65 28.75 101.74 89.40 28.17 101.95 89.53 28.46 3 0 7.78 -999 ? O2 GOL C 303 >GLY^C 126 98.10 90.48 31.11 98.32 89.94 30.52 98.21 90.21 30.81 1 0 8.49 -999 ? O2 GOL C 303 >PRO^C 127 95.01 88.65 33.51 96.00 88.22 31.55 95.50 88.43 32.53 3 0 7.94 -999 ? O2 GOL C 303 >MET?C 128 94.45 86.04 28.19 96.84 87.81 25.15 95.65 86.93 26.67 2 0 5.70 -999 ? O3 GOL C 303 >PRO^C 129 91.47 84.27 30.90 92.88 83.58 29.28 92.17 83.93 30.09 3 0 5.75 -999 ? O1 GOL C 303 >PRO^C 130 93.49 79.76 26.37 91.82 81.20 26.89 92.65 80.48 26.63 3 0 -4.70 -999 ? O1 GOL C 303s >ASN^C 131 90.43 76.75 28.15 91.54 76.96 30.00 90.99 76.86 29.07 2 0 5.99 -999 ? O1 GOL C 303 >GLY^C 132 87.58 79.58 30.61 88.41 79.91 30.56 88.00 79.75 30.58 1 0 9.05 -999 ? O1 GOL C 303 >ASP^C 133 87.11 82.45 34.54 85.38 83.37 33.69 86.24 82.91 34.12 2 0 12.37 -999 ? O1 GOL C 303 >HIS^C 134 93.02 80.88 33.34 93.49 79.59 31.76 93.26 80.24 32.55 3 0 -4.59 -999 ? O1 GOL C 303s >HIS^C 135 91.54 81.45 40.59 89.59 81.33 41.35 90.57 81.39 40.97 3 0 13.14 -999 ? O1 GOL C 303 >TYR^C 136 95.92 85.22 36.42 95.00 84.68 33.85 95.46 84.95 35.13 3 0 7.57 -999 ? O1 GOL C 303 >LEU^C 137 99.49 82.93 41.89 100.23 82.48 43.88 99.86 82.70 42.88 3 0 14.20 -999 ? O1 GOL C 303 >ILE^C 138 100.16 88.64 42.97 99.75 89.89 42.77 99.95 89.26 42.87 3 0 16.11 -999 ? O2 GOL C 303 >GLN^C 139 104.46 84.29 45.92 104.56 82.18 45.57 104.51 83.24 45.75 2 0 18.24 -999 ? O2 GOL C 303 >VAL^C 140 105.61 89.26 46.58 104.56 91.17 46.71 105.09 90.22 46.64 3 0 20.91 -999 ? O2 GOL C 303 >TYR^C 141 109.70 87.14 46.66 108.86 84.79 45.47 109.28 85.97 46.06 3 0 20.21 -999 ? O1 GOL D 304 >ALA^C 142 110.38 91.25 50.96 109.82 91.34 52.35 110.10 91.30 51.65 2 0 27.94 -999 ? O2 GOL C 303 >LEU^C 143 114.70 91.63 49.11 114.19 90.26 47.48 114.44 90.94 48.30 3 0 24.67 -999 ? O1 GOL D 304 >ASP^C 144 117.47 91.50 54.07 119.03 90.24 53.30 118.25 90.87 53.68 2 0 27.79 -999 ? O3 GOL D 304 >ILE^C 145 120.07 93.38 49.53 120.76 92.28 49.03 120.42 92.83 49.28 3 0 27.40 -999 ? O1 GOL D 304 >PRO^C 146 120.10 98.33 49.19 118.37 96.89 48.91 119.24 97.61 49.05 3 0 30.76 -999 ? O1 GOL D 304 >LYS^C 147 119.25 96.42 45.09 120.12 100.21 40.24 119.68 98.31 42.66 2 0 29.42 -999 ? O1 GOL D 304 >LEU^C 148 118.05 92.44 42.77 116.83 91.43 44.30 117.44 91.94 43.53 3 0 22.82 -999 ? O1 GOL D 304 >ALA^C 149 122.04 92.63 40.45 123.45 92.05 40.72 122.74 92.34 40.58 2 0 23.23 -999 ? O1 GOL D 304 >LEU^C 150 118.24 91.79 37.97 117.49 90.02 38.97 117.86 90.90 38.47 3 0 19.78 -999 ? O1 GOL D 304 >LYS^C 151 119.98 93.43 33.99 123.08 97.43 35.14 121.53 95.43 34.56 2 0 26.51 -999 ? O1 GOL D 304 >ALA^C 152 117.38 92.96 31.23 116.34 93.95 30.77 116.86 93.45 31.00 2 0 21.22 -999 ? O2 GOL C 303 >PRO^C 153 118.04 89.64 27.87 117.54 90.85 29.71 117.79 90.25 28.79 3 0 18.21 -999 ? O1 GOL D 304 >PHE^C 154 116.22 89.51 34.95 114.30 91.07 36.32 115.26 90.29 35.64 3 0 18.12 -999 ? O1 GOL D 304 >PHE^C 155 114.82 83.92 31.48 115.10 84.18 28.72 114.96 84.05 30.10 3 0 11.58 -999 ? O1 GOL D 304 >LEU^C 156 111.24 83.08 36.64 109.59 83.11 38.02 110.41 83.10 37.33 3 0 12.52 -999 ? O1 GOL D 304 >GLY^C 157 115.42 81.63 37.63 115.41 82.47 37.50 115.41 82.05 37.57 1 0 10.79 -999 ? O1 GOL D 304 >ASP^C 158 117.95 85.52 36.26 119.02 84.45 34.78 118.48 84.98 35.52 2 0 13.05 -999 ? O1 GOL D 304 >LEU^C 159 113.82 86.83 39.57 112.93 88.03 41.21 113.38 87.43 40.39 3 0 17.17 -999 ? O1 GOL D 304 >HIS^C 160 113.08 82.43 42.25 111.10 82.58 42.93 112.09 82.50 42.59 3 0 14.83 -999 ? O1 GOL D 304 >ASP^C 161 119.96 83.27 40.94 119.95 81.32 40.07 119.96 82.30 40.51 2 0 13.24 -999 ? O1 GOL D 304 >LYS^C 162 119.56 86.98 43.33 122.82 86.51 39.34 121.19 86.74 41.34 2 0 17.91 -999 ? O1 GOL D 304 >MET?C 163 116.88 86.82 46.04 112.72 87.51 44.96 114.80 87.16 45.50 2 0 19.95 -999 ? O1 GOL D 304 >ARG^C 164 119.27 79.88 46.64 118.61 80.03 43.61 118.94 79.95 45.13 2 0 13.96 -999 ? O3 GOL D 304 >ASN^C 165 120.64 83.88 51.23 121.19 81.85 50.82 120.91 82.87 51.03 2 0 21.01 -999 ? O3 GOL D 304 >HIS^C 166 119.56 88.49 49.79 121.66 88.53 49.66 120.61 88.51 49.73 3 0 24.54 -999 ? O3 GOL D 304 >ILE^C 167 113.24 85.66 50.90 112.57 85.00 49.93 112.91 85.33 50.42 3 0 21.96 -999 ? O3 GOL D 304 >ILE^C 168 112.82 89.10 55.66 113.73 90.36 55.54 113.27 89.73 55.60 3 0 28.71 -999 ? O3 GOL D 304 >ALA^C 169 108.79 87.39 53.96 108.06 88.54 54.67 108.43 87.97 54.32 2 0 27.96 -999 ? O3 GOL D 304 >ILE^C 170 106.76 84.91 50.61 107.34 83.99 49.79 107.05 84.45 50.20 3 0 22.42 -999 ? O3 GOL D 304 >GLY^C 171 102.93 87.50 50.47 103.34 87.13 49.84 103.13 87.32 50.16 1 0 23.12 -999 ? O2 GOL C 303 >ARG^C 172 101.76 82.29 48.89 104.36 81.43 50.30 103.06 81.86 49.60 2 0 21.81 -999 ? O3 GOL D 304 >LYS^C 173 97.18 87.06 46.41 92.52 88.70 48.29 94.85 87.88 47.35 2 0 21.17 -999 ? O1 GOL C 303 >GLU^C 174 95.39 82.91 44.08 94.47 81.03 44.26 94.93 81.97 44.17 2 0 15.11 -999 ? O1 GOL C 303 >PHE^C 175 94.07 88.71 39.90 96.06 88.88 37.92 95.07 88.80 38.91 3 0 12.85 -999 ? O2 GOL C 303 >LEU^C 176 88.73 85.86 38.73 88.55 84.00 39.85 88.64 84.93 39.29 3 0 13.55 -999 ? O1 GOL C 303 >TYR^C 177 91.29 88.62 33.13 90.97 90.50 31.09 91.13 89.56 32.11 3 0 10.90 -999 ? C2 GOL C 303 >LYS^C 178 87.29 86.38 32.42 81.34 87.63 33.94 84.31 87.01 33.18 2 0 17.50 -999 ? O1 GOL C 303 >GLN^C 179 87.00 82.30 27.83 85.78 80.61 27.42 86.39 81.46 27.62 2 0 10.90 -999 ? O1 GOL C 303 >PHE^C 180 90.96 86.25 24.75 91.39 87.67 22.36 91.18 86.96 23.55 3 0 8.53 -999 ? C3 GOL C 303 >VAL^C 181 86.56 86.51 24.04 84.55 87.35 24.54 85.56 86.93 24.29 3 0 13.10 -999 ? C3 GOL C 303 >MET?D 1 98.90 82.34 57.51 98.79 80.57 54.40 98.85 81.46 55.95 2 0 25.20 -999 ? O1 GOL C 303 >LYS^D 2 101.79 80.40 59.08 98.48 79.86 62.07 100.14 80.13 60.58 2 0 32.82 -999 ? O1 GOL C 303 >THR^D 3 105.03 78.83 57.76 106.59 80.05 56.89 105.81 79.44 57.33 2 0 25.56 -999 ? O3 GOL D 304 >PHE^D 4 105.33 73.89 57.37 103.93 72.96 55.12 104.63 73.42 56.24 3 0 23.89 -999 ? O3 GOL D 304 >GLU^D 5 112.90 73.59 57.94 114.48 73.33 59.39 113.69 73.46 58.66 2 0 24.82 -999 ? O3 GOL D 304 >VAL^D 6 110.54 71.39 54.72 109.14 71.42 52.97 109.84 71.41 53.85 3 0 19.68 -999 ? O3 GOL D 304 >MET?D 7 113.44 69.00 54.37 112.31 69.50 57.85 112.88 69.25 56.11 2 0 23.17 -999 ? O3 GOL D 304 >ILE^D 8 114.68 67.29 50.29 114.82 67.54 48.93 114.75 67.42 49.61 3 0 15.04 -999 ? O3 GOL D 304 >GLN^D 9 120.17 63.44 52.87 120.49 61.52 53.77 120.33 62.48 53.32 2 0 21.61 -999 ? O3 GOL D 304 >THR^D 10 121.25 66.79 50.07 120.26 68.70 49.67 120.76 67.75 49.87 2 0 15.98 -999 ? O3 GOL D 304 >ASP^D 11 125.52 67.95 48.44 126.50 66.69 47.13 126.01 67.32 47.79 2 0 17.48 -999 ? O3 GOL D 304 >SER^D 12 127.22 69.38 51.88 129.45 69.23 50.90 128.33 69.30 51.39 2 0 21.94 -999 ? O3 GOL D 304 >LYS^D 13 127.01 71.53 48.75 131.71 73.68 46.56 129.36 72.61 47.66 2 0 21.12 -999 ? O3 GOL D 304 >GLY^D 14 123.16 71.45 48.46 123.54 70.89 48.09 123.35 71.17 48.27 1 0 16.21 -999 ? O3 GOL D 304 >TYR^D 15 124.49 69.65 43.94 125.39 71.86 42.50 124.94 70.75 43.22 3 0 13.39 -999 ? O3 GOL D 304 >LEU^D 16 118.82 66.26 44.99 117.02 65.19 45.33 117.92 65.73 45.16 3 0 11.70 -999 ? O3 GOL D 304 >ASP^D 17 121.56 61.41 45.54 122.80 59.82 44.87 122.18 60.61 45.20 2 0 16.51 -999 ? O3 GOL D 304 >ALA^D 18 122.04 61.53 41.03 123.26 60.86 40.43 122.65 61.20 40.73 2 0 13.81 -999 ? O3 GOL D 304 >LYS^D 19 119.43 58.81 41.83 119.26 54.83 46.65 119.34 56.82 44.24 2 0 19.81 -999 ? O3 GOL D 304 >PHE^D 20 116.38 61.29 44.20 116.51 59.77 46.57 116.44 60.53 45.39 3 0 14.33 -999 ? O3 GOL D 304 >GLY^D 21 117.12 62.84 38.24 117.51 62.08 38.27 117.31 62.46 38.25 1 0 8.34 -999 ? O3 GOL D 304 >GLY^D 22 118.45 62.26 34.73 118.87 62.21 35.36 118.66 62.24 35.04 1 0 8.65 -999 ? O3 GOL D 304 >ASN^D 23 122.89 62.36 36.60 123.28 64.10 35.40 123.09 63.23 36.00 2 0 10.54 -999 ? O3 GOL D 304 >ALA^D 24 120.72 58.31 37.94 119.24 58.00 38.19 119.98 58.16 38.06 2 0 13.31 -999 ? O3 GOL D 304 >PRO^D 25 123.04 55.11 39.78 122.07 55.51 37.78 122.56 55.31 38.78 3 0 17.18 -999 ? O3 GOL D 304 >LYS^D 26 120.21 52.87 34.89 119.39 48.75 30.21 119.80 50.81 32.55 2 0 22.25 -999 ? C2 GOL D 304 >ALA^D 27 118.60 50.93 37.78 119.43 50.29 38.91 119.02 50.61 38.35 2 0 20.71 -999 ? O3 GOL D 304 >PHE^D 28 117.93 54.42 41.14 119.05 53.26 43.44 118.49 53.84 42.29 3 0 18.23 -999 ? O3 GOL D 304 >LEU^D 29 116.34 55.30 34.35 117.68 57.05 34.06 117.01 56.18 34.21 3 0 14.04 -999 ? O3 GOL D 304 >ASN^D 30 110.92 54.15 33.85 110.71 55.46 32.17 110.81 54.80 33.01 2 0 15.00 -999 ? O2 GOL D 304 >SER^D 31 112.61 51.35 30.88 110.46 50.62 29.95 111.54 50.99 30.41 2 0 19.86 -999 ? O2 GOL D 304 >ASN^D 32 111.19 55.18 28.24 109.63 53.95 27.45 110.41 54.56 27.84 2 0 17.14 -999 ? O2 GOL D 304 >GLY^D 33 115.31 56.09 30.56 114.60 56.24 30.75 114.95 56.16 30.65 1 0 14.30 -999 ? O2 GOL D 304 >LEU^D 34 111.75 58.99 32.19 111.04 59.81 30.27 111.39 59.40 31.23 3 0 10.99 -999 ? O2 GOL D 304 >PRO^D 35 114.71 61.58 35.41 113.87 59.52 35.49 114.29 60.55 35.45 3 0 9.47 -999 ? O3 GOL D 304 >THR^D 36 110.62 58.59 37.90 109.69 57.38 36.42 110.16 57.98 37.16 2 0 13.62 -999 ? O3 GOL D 304 >TYR^D 37 113.79 56.14 42.56 114.33 54.73 44.92 114.06 55.43 43.74 3 0 17.09 -999 ? O3 GOL D 304 >SER^D 38 111.13 60.32 43.74 108.97 59.67 44.67 110.05 60.00 44.21 2 0 15.34 -999 ? O3 GOL D 304 >PRO^D 39 113.26 63.58 45.85 112.71 61.43 46.24 112.99 62.51 46.04 3 0 13.60 -999 ? O3 GOL D 304 >LYS^D 40 111.94 61.29 50.49 112.27 59.18 56.38 112.10 60.24 53.44 2 0 24.25 -999 ? O3 GOL D 304 >ILE^D 41 109.85 65.53 50.31 109.79 66.50 49.29 109.82 66.01 49.80 3 0 16.23 -999 ? O3 GOL D 304 >SER^D 42 109.45 65.62 54.94 111.51 64.97 56.04 110.48 65.29 55.49 2 0 22.04 -999 ? O3 GOL D 304 >TRP^D 43 104.85 68.80 56.14 105.23 66.38 53.06 105.04 67.59 54.60 3 0 22.11 -999 ? O3 GOL D 304 >GLN^D 44 109.05 71.20 61.13 109.44 73.27 61.47 109.25 72.23 61.30 2 0 27.37 -999 ? O3 GOL D 304 >LYS^D 45 103.67 68.73 61.40 101.05 65.43 64.55 102.36 67.08 62.98 2 0 33.00 -999 ? O3 GOL D 304 >VAL^D 46 101.44 71.80 61.47 100.76 72.91 59.65 101.10 72.36 60.56 3 0 29.17 -999 ? O3 GOL D 304 >GLU^D 47 97.89 72.33 66.60 98.64 70.68 67.74 98.26 71.51 67.17 2 0 36.60 -999 ? O3 GOL D 304 >GLY^D 48 95.22 71.67 62.55 95.85 71.25 62.24 95.54 71.46 62.40 1 0 33.87 -999 ? O3 GOL D 304 >ALA^D 49 96.58 69.97 59.40 98.05 69.79 59.06 97.32 69.88 59.23 2 0 29.35 -999 ? O3 GOL D 304 >GLN^D 50 91.93 67.83 59.33 89.96 67.01 59.31 90.95 67.42 59.32 2 0 33.43 -999 ? O1 GOL C 303 >SER^D 51 96.22 66.68 54.97 94.73 67.19 53.11 95.48 66.93 54.04 2 0 27.14 -999 ? O3 GOL D 304 >TYR^D 52 100.71 67.88 54.96 100.96 68.09 57.74 100.83 67.99 56.35 3 0 25.63 -999 ? O3 GOL D 304 >ALA^D 53 99.77 68.67 49.26 98.66 69.35 48.49 99.22 69.01 48.87 2 0 20.95 -999 ? C3 GOL D 304 >LEU^D 54 104.00 68.18 47.72 106.09 67.72 47.23 105.05 67.95 47.47 3 0 15.99 -999 ? O3 GOL D 304 >GLU^D 55 103.80 73.44 44.44 102.79 75.15 43.72 103.29 74.29 44.08 2 0 15.42 -999 ? C3 GOL D 304 >LEU^D 56 108.42 69.23 42.87 110.59 68.96 43.01 109.51 69.09 42.94 3 0 9.63 -999 ? O3 GOL D 304 >ILE^D 57 107.58 74.48 40.25 107.57 75.29 39.89 107.57 74.89 40.07 3 0 9.80 -999 ? C3 GOL D 304 >ASP^D 58 112.37 73.35 37.31 114.32 73.97 36.68 113.34 73.66 36.99 2 0 -4.41 -999 ? O3 GOL D 304s >HIS^D 59 111.15 79.22 40.04 109.78 79.37 41.62 110.47 79.30 40.83 3 0 11.80 -999 ? C3 GOL D 304 >ASP^D 60 116.53 77.02 36.59 117.43 78.11 38.15 116.98 77.56 37.37 2 0 8.93 -999 ? O1 GOL D 304 >ALA^D 61 113.41 76.04 33.22 112.33 74.97 33.42 112.87 75.50 33.32 2 0 -3.55 -999 ? O1 GOL D 304s >GLN^D 62 110.53 81.39 32.08 110.40 83.43 32.64 110.47 82.41 32.36 2 0 11.58 -999 ? O1 GOL D 304 >LYS^D 63 115.33 80.33 30.42 120.99 82.89 30.80 118.16 81.61 30.61 2 0 12.25 -999 ? O1 GOL D 304 >VAL^D 64 115.36 76.92 28.70 116.24 75.07 29.44 115.80 75.99 29.07 3 0 4.56 -999 ? O1 GOL D 304 >CYH^D 65 111.82 76.64 27.32 110.51 75.18 29.18 111.16 75.91 28.25 2 0 5.36 -999 ? O1 GOL D 304 >GLY^D 66 110.10 79.96 28.18 110.07 79.39 28.76 110.09 79.67 28.47 1 0 9.26 -999 ? O1 GOL D 304 >MET?D 67 108.08 78.70 31.16 104.35 78.33 29.26 106.21 78.52 30.21 2 0 7.11 -999 ? O2 GOL C 303 >PRO^D 68 107.40 78.83 35.45 108.47 77.47 34.02 107.94 78.15 34.73 3 0 9.02 -999 ? O1 GOL D 304 >PHE^D 69 109.51 71.11 33.57 109.01 68.64 32.34 109.26 69.87 32.96 3 0 4.34 -999 ? O2 GOL D 304 >VAL^D 70 106.18 71.11 36.69 104.10 71.38 37.14 105.14 71.24 36.92 3 0 9.05 -999 ? C3 GOL D 304 >HIS^D 71 110.45 68.73 37.93 112.00 69.11 36.57 111.22 68.92 37.25 3 0 -4.28 -999 ? O3 GOL D 304s >TRP^D 72 104.99 64.04 41.74 106.73 62.91 45.07 105.86 63.47 43.40 3 0 13.86 -999 ? O3 GOL D 304 >VAL^D 73 102.07 67.48 41.99 100.66 68.43 40.54 101.37 67.96 41.26 3 0 14.51 -999 ? C3 GOL D 304 >VAL^D 74 100.58 65.39 44.74 102.10 64.49 46.10 101.34 64.94 45.42 3 0 17.70 -999 ? O3 GOL D 304 >GLY^D 75 97.48 65.86 46.85 97.80 65.08 46.76 97.64 65.47 46.81 1 0 21.19 -999 ? C3 GOL D 304 >ASN^D 76 95.02 62.78 48.99 93.25 63.70 48.23 94.14 63.24 48.61 2 0 25.34 -999 ? O1 GOL C 303 >ILE^D 77 100.42 64.21 51.55 101.77 64.45 50.98 101.09 64.33 51.27 3 0 22.02 -999 ? O3 GOL D 304 >ALA^D 78 97.86 62.14 55.05 97.19 60.77 55.24 97.53 61.45 55.14 2 0 28.37 -999 ? O3 GOL D 304 >HIS^D 79 100.79 60.26 57.70 99.37 58.77 58.14 100.08 59.51 57.92 3 0 29.23 -999 ? O3 GOL D 304 >ASN^D 80 104.45 65.78 58.24 105.08 64.61 59.93 104.77 65.20 59.09 2 0 27.40 -999 ? O3 GOL D 304 >VAL^D 81 106.36 62.70 54.80 107.51 61.29 56.09 106.94 61.99 55.44 3 0 23.42 -999 ? O3 GOL D 304 >LEU^D 82 106.46 62.02 50.04 104.66 62.82 49.19 105.56 62.42 49.61 3 0 18.92 -999 ? O3 GOL D 304 >GLU^D 83 109.77 56.53 53.30 111.68 56.29 52.36 110.73 56.41 52.83 2 0 22.46 -999 ? O3 GOL D 304 >GLU^D 84 113.65 56.78 48.00 115.64 56.30 48.43 114.65 56.54 48.22 2 0 19.35 -999 ? O3 GOL D 304 >ASN^D 85 110.48 54.72 45.76 110.15 53.71 43.91 110.32 54.22 44.83 2 0 19.17 -999 ? O3 GOL D 304 >ALA^D 86 106.43 57.27 46.78 106.09 58.36 47.80 106.26 57.81 47.29 2 0 19.40 -999 ? O3 GOL D 304 >SER^D 87 105.48 58.35 43.25 105.37 59.56 41.19 105.43 58.95 42.22 2 0 15.30 -999 ? O3 GOL D 304 >MET?D 88 105.61 54.68 42.19 106.72 54.79 39.11 106.16 54.74 40.65 2 0 17.64 -999 ? O3 GOL D 304 >MET?D 89 104.69 53.09 45.53 106.51 50.57 44.46 105.60 51.83 44.99 2 0 23.13 -999 ? O3 GOL D 304 >ASP^D 90 102.69 56.62 48.15 101.48 57.35 49.72 102.09 56.98 48.93 2 0 23.53 -999 ? O3 GOL D 304 >LYS^D 91 98.69 54.19 47.12 97.56 48.34 46.58 98.13 51.26 46.85 2 0 29.94 -999 ? O3 GOL D 304 >ARG^D 92 98.03 56.04 52.97 97.10 55.48 55.88 97.56 55.76 54.42 2 0 30.99 -999 ? O3 GOL D 304 >ILE^D 93 99.78 60.48 47.21 101.21 60.29 47.31 100.49 60.38 47.26 3 0 21.11 -999 ? O3 GOL D 304 >VAL^D 94 96.76 61.27 44.15 94.95 62.42 43.77 95.85 61.85 43.96 3 0 22.12 -999 ? C3 GOL D 304 >GLN^D 95 101.19 61.48 42.34 102.52 59.84 42.04 101.85 60.66 42.19 2 0 17.33 -999 ? C3 GOL D 304 >GLY^D 96 98.89 65.45 38.95 99.50 64.94 38.93 99.19 65.20 38.94 1 0 16.32 -999 ? C3 GOL D 304 >VAL^D 97 100.18 65.74 35.38 99.00 65.74 33.53 99.59 65.74 34.46 3 0 14.74 -999 ? O2 GOL D 304 >ASN^D 98 105.06 66.00 35.49 105.58 64.38 34.19 105.32 65.19 34.84 2 0 9.99 -999 ? C3 GOL D 304 >SER^D 99 105.12 69.02 32.29 105.00 71.25 33.22 105.06 70.13 32.75 2 0 8.56 -999 ? O2 GOL D 304 >LEU^D 100 107.08 64.84 30.65 109.18 64.30 30.21 108.13 64.57 30.43 3 0 7.72 -999 ? O2 GOL D 304 >THR^D 101 102.91 65.66 29.11 100.94 66.41 29.67 101.92 66.03 29.39 2 0 13.06 -999 ? O2 GOL D 304 >GLN^D 102 103.94 65.62 24.24 104.46 67.66 23.84 104.20 66.64 24.04 2 0 11.93 -999 ? O2 GOL D 304 >GLY^D 103 98.13 65.91 26.82 98.54 66.59 26.92 98.33 66.25 26.87 1 0 14.55 -999 ? C1 GOL C 303 >PHE^D 104 99.86 70.75 26.44 101.84 70.82 24.40 100.85 70.79 25.42 3 0 10.56 -999 ? C1 GOL C 303 >ILE^D 105 93.73 72.25 26.14 92.50 72.71 26.63 93.12 72.48 26.38 3 0 8.95 -999 ? O1 GOL C 303 >ARG^D 106 98.26 76.41 23.26 97.21 79.23 22.85 97.74 77.82 23.06 2 0 4.38 -999 ? C3 GOL C 303 >SER^D 107 98.59 69.71 21.92 99.02 67.38 22.37 98.80 68.54 22.14 2 0 11.79 -999 ? O3 GOL B 302 >PRO^D 108 100.44 68.38 18.07 98.44 68.49 19.06 99.44 68.44 18.56 3 0 7.93 -999 ? O3 GOL B 302 >LEU^D 109 97.75 64.05 20.85 99.82 63.34 20.97 98.78 63.70 20.91 3 0 11.40 -999 ? O3 GOL B 302 >ASN^D 110 93.32 61.76 19.06 93.68 61.40 17.00 93.50 61.58 18.03 2 0 10.99 -999 ? O3 GOL B 302 >GLU^D 111 89.46 64.51 23.72 90.36 66.42 23.99 89.91 65.47 23.86 2 0 16.02 -999 ? O3 GOL B 302 >SER^D 112 92.01 60.05 23.77 91.82 58.62 21.87 91.92 59.34 22.82 2 0 16.66 -999 ? O3 GOL B 302 >GLU^D 113 96.37 59.12 20.85 97.15 57.35 21.82 96.76 58.23 21.34 2 0 16.01 -999 ? O3 GOL B 302 >LYS^D 114 95.75 63.43 25.23 94.32 68.44 21.91 95.04 65.93 23.57 2 0 12.17 -999 ? O3 GOL B 302 >GLN^D 115 92.03 60.13 29.08 91.10 61.33 30.64 91.57 60.73 29.86 2 0 19.71 -999 ? O1 GOL C 303 >ARG^D 116 97.24 55.93 25.41 99.05 54.31 23.54 98.14 55.12 24.48 2 0 19.16 -999 ? C3 GOL B 302 >SER^D 117 99.57 61.09 27.75 101.25 62.62 26.99 100.41 61.86 27.37 2 0 14.92 -999 ? O2 GOL D 304 >ASN^D 118 96.93 63.66 30.95 96.82 65.42 29.73 96.87 64.54 30.34 2 0 14.82 -999 ? O1 GOL C 303 >LEU^D 119 96.73 58.57 32.58 94.59 58.43 33.13 95.66 58.50 32.86 3 0 21.23 -999 ? O2 GOL D 304 >ASN^D 120 101.47 58.03 30.32 100.75 56.15 29.57 101.11 57.09 29.94 2 0 18.95 -999 ? O2 GOL D 304 >ASN^D 121 102.92 62.72 32.03 104.08 62.09 30.33 103.50 62.40 31.18 2 0 12.34 -999 ? O2 GOL D 304 >SER^D 122 100.67 61.83 36.30 98.41 62.19 35.55 99.54 62.01 35.92 2 0 17.32 -999 ? C3 GOL D 304 >VAL^D 123 103.88 61.00 38.24 104.40 59.42 36.79 104.14 60.21 37.51 3 0 14.33 -999 ? C3 GOL D 304 >TYR^D 124 109.33 62.54 40.92 111.96 63.38 41.30 110.64 62.96 41.11 3 0 10.23 -999 ? O3 GOL D 304 >ILE^D 125 109.21 63.87 35.37 109.76 63.79 34.78 109.48 63.83 35.07 3 0 7.79 -999 ? C3 GOL D 304 >GLY^D 126 113.10 64.25 37.98 112.90 64.51 37.24 113.00 64.38 37.61 1 0 6.72 -999 ? O3 GOL D 304 >PRO^D 127 115.79 67.17 39.63 115.15 66.56 37.60 115.47 66.86 38.62 3 0 5.02 -999 ? O3 GOL D 304 >MET?D 128 117.05 66.94 33.78 114.72 63.84 31.95 115.88 65.39 32.87 2 0 -6.47 -999 ? C2 GOL D 304s >PRO^D 129 119.72 69.89 35.65 118.51 69.69 33.77 119.11 69.79 34.71 3 0 4.56 -999 ? O3 GOL D 304 >PRO^D 130 118.35 71.69 29.35 119.96 70.86 30.70 119.15 71.28 30.03 3 0 -4.64 -999 ? C1 GOL D 304s >ASN^D 131 121.39 75.29 31.03 120.70 76.32 29.38 121.05 75.80 30.21 2 0 7.69 -999 ? O1 GOL D 304 >GLY^D 132 124.08 73.77 33.92 123.20 73.47 33.94 123.64 73.62 33.93 1 0 9.35 -999 ? C1 GOL D 304 >ASP^D 133 123.99 73.15 38.72 125.87 72.11 38.55 124.93 72.63 38.64 2 0 12.10 -999 ? O3 GOL D 304 >HIS^D 134 118.22 73.95 36.21 117.91 74.45 34.19 118.07 74.20 35.20 3 0 4.89 -999 ? C1 GOL D 304 >HIS^D 135 118.95 76.77 42.94 120.82 77.25 43.76 119.89 77.01 43.35 3 0 12.28 -999 ? O3 GOL D 304 >TYR^D 136 114.99 71.39 40.76 115.94 70.79 38.17 115.46 71.09 39.47 3 0 -4.88 -999 ? O3 GOL D 304s >LEU^D 137 110.97 75.93 44.29 109.81 77.17 45.63 110.39 76.55 44.96 3 0 12.80 -999 ? O3 GOL D 304 >ILE^D 138 110.03 71.25 47.67 110.38 70.01 48.11 110.21 70.63 47.89 3 0 13.81 -999 ? O3 GOL D 304 >GLN^D 139 105.17 76.17 48.00 104.80 77.96 46.90 104.98 77.06 47.45 2 0 17.47 -999 ? O3 GOL D 304 >VAL^D 140 104.32 72.08 50.59 105.20 70.42 51.71 104.76 71.25 51.15 3 0 19.11 -999 ? O3 GOL D 304 >TYR^D 141 100.25 74.03 49.41 101.09 75.61 47.33 100.67 74.82 48.37 3 0 19.97 -999 ? C3 GOL D 304 >ALA^D 142 99.01 72.12 54.91 99.57 72.52 56.26 99.29 72.32 55.58 2 0 26.30 -999 ? O3 GOL D 304 >LEU^D 143 94.81 71.07 53.33 95.33 71.49 51.27 95.07 71.28 52.30 3 0 24.71 -999 ? O1 GOL C 303 >ASP^D 144 91.61 73.37 57.26 90.26 74.09 55.78 90.93 73.73 56.52 2 0 27.88 -999 ? O1 GOL C 303 >ILE^D 145 89.46 69.82 53.78 88.62 69.80 53.61 89.04 69.81 53.69 3 0 27.55 -999 ? O1 GOL C 303 >PRO^D 146 89.44 64.94 55.70 91.07 66.24 54.80 90.26 65.59 55.25 3 0 30.44 -999 ? O1 GOL C 303 >LYS^D 147 90.56 64.78 51.14 88.26 60.87 48.02 89.41 62.82 49.58 2 0 28.16 -999 ? O1 GOL C 303 >LEU^D 148 92.08 67.30 47.34 93.28 68.71 48.58 92.68 68.00 47.96 3 0 22.63 -999 ? O1 GOL C 303 >ALA^D 149 88.26 65.82 45.21 86.82 66.34 45.08 87.54 66.08 45.14 2 0 23.14 -999 ? O1 GOL C 303 >LEU^D 150 92.23 65.73 42.75 92.82 67.81 42.88 92.52 66.77 42.82 3 0 19.48 -999 ? O1 GOL C 303 >LYS^D 151 91.22 62.04 40.23 91.79 58.54 43.29 91.51 60.29 41.76 2 0 26.23 -999 ? O1 GOL C 303 >ALA^D 152 94.08 61.71 37.77 95.19 60.66 37.82 94.64 61.18 37.80 2 0 21.16 -999 ? C3 GOL D 304 >PRO^D 153 93.29 63.02 33.22 93.88 62.81 35.39 93.59 62.91 34.30 3 0 18.26 -999 ? O1 GOL C 303 >PHE^D 154 94.72 66.39 39.44 96.39 65.60 41.56 95.56 66.00 40.50 3 0 18.13 -999 ? O1 GOL C 303 >PHE^D 155 96.69 69.88 34.07 96.70 68.45 31.66 96.69 69.16 32.86 3 0 11.63 -999 ? O1 GOL C 303 >LEU^D 156 99.71 73.01 38.58 101.24 73.51 40.03 100.47 73.26 39.30 3 0 12.82 -999 ? O1 GOL C 303 >GLY^D 157 95.50 74.57 38.44 95.46 73.77 38.69 95.48 74.17 38.56 1 0 10.79 -999 ? O1 GOL C 303 >ASP^D 158 92.92 70.53 38.89 92.45 70.79 36.83 92.69 70.66 37.86 2 0 12.74 -999 ? O1 GOL C 303 >LEU^D 159 96.82 71.08 42.71 97.70 70.63 44.71 97.26 70.86 43.71 3 0 17.20 -999 ? O1 GOL C 303 >HIS^D 160 97.12 76.33 43.21 99.14 76.47 43.78 98.13 76.40 43.49 3 0 14.78 -999 ? O1 GOL C 303 >ASP^D 161 90.54 74.50 41.52 90.68 75.70 39.77 90.61 75.10 40.65 2 0 12.81 -999 ? O1 GOL C 303 >LYS^D 162 90.70 72.42 45.37 87.88 70.51 41.37 89.29 71.46 43.37 2 0 17.73 -999 ? O1 GOL C 303 >MET?D 163 93.10 73.92 47.90 97.21 72.88 47.64 95.15 73.40 47.77 2 0 19.76 -999 ? O1 GOL C 303 >ARG^D 164 90.60 80.12 45.02 91.76 78.72 42.53 91.18 79.42 43.77 2 0 14.13 -999 ? O1 GOL C 303 >ASN^D 165 88.88 78.89 50.89 88.35 80.21 49.30 88.61 79.55 50.10 2 0 21.59 -999 ? O1 GOL C 303 >HIS^D 166 90.00 74.07 51.91 87.92 73.80 51.75 88.96 73.93 51.83 3 0 24.57 -999 ? O1 GOL C 303 >ILE^D 167 96.37 77.17 52.02 97.17 77.20 50.94 96.77 77.19 51.48 3 0 22.38 -999 ? O1 GOL C 303 >ILE^D 168 96.05 75.98 57.90 95.40 74.76 58.45 95.72 75.37 58.17 3 0 29.28 -999 ? O1 GOL C 303 >ALA^D 169 100.32 77.13 56.06 101.04 76.71 57.35 100.68 76.92 56.70 2 0 27.14 -999 ? O3 GOL D 304 >ILE^D 170 102.79 77.91 52.27 102.34 78.42 51.08 102.56 78.17 51.67 3 0 22.27 -999 ? O3 GOL D 304 >GLY^D 171 106.65 75.59 53.55 106.28 75.61 52.77 106.46 75.60 53.16 1 0 21.11 -999 ? O3 GOL D 304 >ARG^D 172 108.13 79.70 49.73 110.62 80.30 47.95 109.37 80.00 48.84 2 0 17.18 -999 ? O3 GOL D 304 >LYS^D 173 112.57 74.39 50.28 117.15 72.91 53.51 114.86 73.65 51.90 2 0 19.12 -999 ? O3 GOL D 304 >GLU^D 174 114.64 76.83 46.44 115.56 78.55 45.62 115.10 77.69 46.03 2 0 13.84 -999 ? O3 GOL D 304 >PHE^D 175 116.42 69.88 45.56 114.69 68.78 43.65 115.56 69.33 44.60 3 0 9.88 -999 ? O3 GOL D 304 >LEU^D 176 121.63 72.23 43.73 122.53 74.18 43.43 122.08 73.20 43.58 3 0 12.00 -999 ? O3 GOL D 304 >TYR^D 177 119.69 66.96 39.78 120.12 64.33 38.87 119.91 65.65 39.33 3 0 8.24 -999 ? O3 GOL D 304 >LYS^D 178 123.77 68.67 38.62 129.36 67.89 38.05 126.57 68.28 38.33 2 0 15.29 -999 ? O3 GOL D 304 >GLN^D 179 124.44 70.28 32.64 126.07 71.31 31.71 125.26 70.79 32.17 2 0 10.96 -999 ? C1 GOL D 304 >PHE^D 180 120.46 65.05 31.79 119.76 62.80 30.25 120.11 63.93 31.02 3 0 8.75 -999 ? C2 GOL D 304