REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-FEB-08 3C5P COMPND PROTEIN BAS0735 OF UNKNOWN FUNCTION; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; SOURCE 3 ORGANISM_TAXID: 260799; SOURCE 4 STRAIN: STERNE; SOURCE 5 GENE: BAS0735, BA_0772, GBAA0772; 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: PMCSG19 AUTHOR Y.KIM,G.JOACHIMIAK,P.GORNICKI,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 15 8 HET MSE A 22 8 HET MSE A 24 8 HET MSE A 47 8 HET MSE A 112 8 HET MSE A 186 8 HET MSE B 15 8 HET MSE B 22 8 HET MSE B 24 8 HET MSE B 47 8 HET MSE B 112 8 HET MSE B 186 8 HET MSE C 1 8 HET MSE C 15 8 HET MSE C 22 8 HET MSE C 24 8 HET MSE C 47 8 HET MSE C 112 8 HET MSE C 186 8 HET MSE D 1 8 HET MSE D 15 8 HET MSE D 22 8 HET MSE D 24 8 HET MSE D 47 8 HET MSE D 112 8 HET MSE D 186 8 HET MSE E 1 8 HET MSE E 15 8 HET MSE E 22 8 HET MSE E 24 8 HET MSE E 47 8 HET MSE E 112 8 HET MSE E 186 8 HET MSE F 1 8 HET MSE F 15 8 HET MSE F 22 8 HET MSE F 24 8 HET MSE F 47 8 HET MSE F 112 8 HET MSE F 186 8 HET MG A 301 1 HET MG A 302 1 HET MG B 302 1 HET MG B 301 1 HET MG C 302 1 HET MG C 301 1 HET MG D 302 1 HET MG D 301 1 HET MG E 302 1 HET MG E 301 1 HET MG F 302 1 HET MG F 301 1 SITE 1 AC1 4 PRO A 126 ASP A 128 ASP A 148 LEU A 182 SITE 1 AC2 5 ASP A 148 ALA A 181 GLY A 183 ASN A 185 SITE 1 AC3 4 PRO B 126 ASP B 128 ASP B 148 LEU B 182 SITE 1 AC4 5 ASP B 148 ALA B 181 GLY B 183 ASN B 185 SITE 1 AC5 4 PRO C 126 ASP C 128 ASP C 148 LEU C 182 SITE 1 AC6 6 ASP C 148 ALA C 181 LEU C 182 GLY C 183 SITE 1 AC7 5 PRO D 126 ASP D 128 ASP D 148 LEU D 182 SITE 1 AC8 5 ASP D 148 ALA D 181 GLY D 183 ASN D 185 SITE 1 AC9 4 PRO E 126 ASP E 128 ASP E 148 LEU E 182 SITE 1 BC1 5 ASP E 148 ALA E 181 GLY E 183 ASN E 185 SITE 1 BC2 5 ASP F 148 ALA F 181 GLY F 183 ASN F 185 SITE 1 BC3 4 PRO F 126 ASP F 128 ASP F 148 LEU F 182 >MET?A 1 49.10 -1.87 21.66 47.17 -4.46 20.89 48.13 -3.16 21.28 2 0 37.55 -999 ? MG MG B 302 >THR.A 2 47.80 1.72 22.09 46.70 1.88 23.97 47.25 1.80 23.03 2 0 34.64 -999 ? MG MG A 301 >ASN.A 3 50.04 4.36 19.09 51.05 2.61 18.36 50.55 3.48 18.73 2 0 30.14 -999 ? MG MG B 302 >ILE^A 4 48.54 8.78 19.99 48.80 9.70 19.10 48.67 9.24 19.54 3 0 27.80 -999 ? MG MG B 302 >ILE^A 5 46.97 8.09 25.49 46.80 8.12 26.34 46.89 8.10 25.92 3 0 28.35 -999 ? MG MG A 301 >LYS^A 6 46.20 12.82 24.71 44.50 16.64 20.52 45.35 14.73 22.62 2 0 25.88 -999 ? MG MG A 301 >ILE^A 7 45.81 14.75 29.06 45.10 13.95 30.11 45.46 14.35 29.58 3 0 21.07 -999 ? MG MG A 301 >ARG^A 8 40.62 19.52 24.63 40.98 22.51 23.88 40.80 21.02 24.26 2 0 20.36 -999 ? MG MG A 301 >ALA^A 9 42.54 20.81 29.78 43.62 21.07 30.77 43.08 20.94 30.27 2 0 15.22 -999 ? MG MG A 301 >SER^A 10 40.39 23.85 29.26 38.85 24.86 27.67 39.62 24.36 28.47 2 0 16.72 -999 ? MG MG A 301 >VAL^A 11 39.59 26.84 31.42 40.87 27.44 33.06 40.23 27.15 32.24 3 0 11.48 -999 ? MG MG A 301 >PHE^A 12 34.93 27.27 29.42 32.88 25.47 30.10 33.90 26.37 29.76 3 0 17.15 -999 ? MG MG A 301 >ILE.A 13 34.23 32.98 31.36 34.49 34.14 31.95 34.36 33.56 31.65 3 0 14.78 -999 ? MG MG A 301 >PRO.A 14 30.19 29.67 32.29 31.17 30.44 30.47 30.68 30.06 31.38 3 0 17.78 -999 ? MG MG A 301 >MET?A 15 28.86 33.78 29.96 29.56 33.59 33.61 29.21 33.68 31.78 2 0 17.42 -999 ? MG MG A 302 >SER.A 16 29.26 36.32 27.22 27.38 35.99 25.78 28.32 36.16 26.50 2 0 24.16 -999 ? MG MG A 301 >TRP.A 17 28.76 40.52 27.21 32.16 42.08 26.00 30.46 41.30 26.60 3 0 23.08 -999 ? MG MG A 301 >THR.A 18 32.02 38.89 33.13 34.18 39.03 32.98 33.10 38.96 33.06 2 0 15.77 -999 ? MG MG A 301 >GLU.A 19 29.75 40.22 38.71 30.73 40.87 40.56 30.24 40.55 39.63 2 0 16.46 -999 ? MG MG A 302 >ALA.A 20 30.13 44.24 35.72 28.85 45.00 35.39 29.49 44.62 35.56 2 0 21.95 -999 ? MG MG A 301 >LYS^A 21 32.50 46.40 37.91 34.61 41.52 40.01 33.55 43.96 38.96 2 0 14.51 -999 ? MG MG A 301 >MET?A 22 32.20 50.14 38.49 28.99 52.95 38.40 30.59 51.55 38.45 2 0 26.91 -999 ? MG MG A 301 >ASP^A 23 36.40 52.47 38.61 38.03 53.36 39.72 37.21 52.92 39.16 2 0 22.90 -999 ? MG MG A 301 >MET?A 24 33.74 55.61 41.00 30.68 54.53 41.65 32.21 55.07 41.32 2 0 27.06 -999 ? MG MG A 301 >GLU^A 25 39.62 57.50 39.92 41.51 57.27 40.85 40.56 57.39 40.38 2 0 25.87 -999 ? MG MG A 301 >THR^A 26 36.75 57.21 36.53 37.82 55.40 36.11 37.29 56.31 36.32 2 0 25.44 -999 ? MG MG A 301 >GLY^A 27 32.99 56.72 36.23 33.54 56.10 35.99 33.26 56.41 36.11 1 0 28.36 -999 ? MG MG A 301 >GLN^A 28 35.69 54.32 33.07 37.56 53.64 32.43 36.63 53.98 32.75 2 0 24.98 -999 ? MG MG A 301 >VAL^A 29 31.75 50.36 33.97 29.60 50.21 34.25 30.67 50.28 34.11 3 0 24.74 -999 ? MG MG A 301 >ILE^A 30 35.44 47.60 33.35 36.74 48.01 33.45 36.09 47.80 33.40 3 0 20.23 -999 ? MG MG A 301 >GLN^A 31 31.14 44.15 31.07 29.13 43.58 31.45 30.13 43.87 31.26 2 0 22.39 -999 ? MG MG A 301 >PHE^A 32 37.63 41.69 31.55 39.27 43.59 32.74 38.45 42.64 32.14 3 0 15.95 -999 ? MG MG A 301 >GLU^A 33 33.74 38.67 24.96 34.13 38.85 22.87 33.94 38.76 23.91 2 0 22.87 -999 ? MG MG A 301 >GLY^A 34 33.66 35.41 27.99 33.72 35.64 27.21 33.69 35.53 27.60 1 0 18.18 -999 ? MG MG A 301 >ASP^A 35 34.49 31.10 26.54 36.41 31.82 27.10 35.45 31.46 26.82 2 0 16.92 -999 ? MG MG A 301 >SER^A 36 29.88 32.10 25.40 29.53 34.39 24.57 29.71 33.24 24.98 2 0 23.25 -999 ? MG MG A 301 >ARG^A 37 32.99 26.50 25.19 35.50 25.33 26.51 34.24 25.91 25.85 2 0 18.99 -999 ? MG MG A 301 >GLU^A 38 26.42 25.01 28.02 26.98 25.90 29.89 26.70 25.46 28.95 2 0 21.81 -999 ? MG MG A 302 >PHE^A 39 31.04 21.84 30.70 31.32 23.06 33.20 31.18 22.45 31.95 3 0 18.63 -999 ? MG MG A 302 >THR^A 40 32.64 20.47 25.22 32.40 21.22 23.20 32.52 20.84 24.21 2 0 24.69 -999 ? MG MG A 301 >PRO^A 41 34.63 16.93 23.74 35.23 19.02 24.32 34.93 17.97 24.03 3 0 24.49 -999 ? MG MG A 301 >HIS^A 42 34.62 18.32 19.57 34.29 16.25 19.41 34.45 17.28 19.49 3 0 28.45 -999 ? MG MG A 301 >ALA^A 43 37.04 23.74 21.31 36.51 24.34 22.59 36.77 24.04 21.95 2 0 22.11 -999 ? MG MG A 301 >VAL^A 44 40.71 23.59 20.27 42.01 21.87 20.17 41.36 22.73 20.22 3 0 23.47 -999 ? MG MG A 301 >ASN^A 45 42.72 26.12 17.32 44.44 25.00 17.78 43.58 25.56 17.55 2 0 24.62 -999 ? MG MG B 302 >THR^A 46 38.63 28.11 18.80 36.62 27.50 19.27 37.63 27.81 19.03 2 0 24.24 -999 ? MG MG A 301 >MET?A 47 39.64 30.93 21.13 42.59 32.26 20.75 41.11 31.60 20.94 2 0 20.99 -999 ? MG MG A 301 >ARG^A 48 33.88 31.17 22.03 31.48 31.85 20.30 32.68 31.51 21.16 2 0 25.29 -999 ? MG MG A 301 >SER^A 49 38.68 29.52 26.48 39.52 27.49 25.41 39.10 28.51 25.94 2 0 17.63 -999 ? MG MG A 301 >ARG^A 50 38.44 33.02 29.31 39.55 34.58 26.90 38.99 33.80 28.11 2 0 15.98 -999 ? MG MG A 301 >VAL^A 51 43.52 28.75 29.06 44.81 28.70 30.86 44.17 28.73 29.96 3 0 12.03 -999 ? MG MG A 301 >GLU^A 52 42.67 25.16 24.80 42.61 25.77 22.75 42.64 25.46 23.78 2 0 19.89 -999 ? MG MG A 301 >GLN^A 53 48.51 22.34 28.72 49.24 22.16 30.72 48.88 22.25 29.72 2 0 15.00 -999 ? MG MG A 301 >GLU^A 54 45.06 19.97 24.02 44.05 19.39 22.19 44.55 19.68 23.11 2 0 22.98 -999 ? MG MG A 301 >VAL^A 55 49.65 16.90 26.44 50.84 16.66 28.18 50.24 16.78 27.31 3 0 21.25 -999 ? MG MG A 301 >VAL^A 56 50.16 14.03 24.08 49.56 14.13 21.99 49.86 14.08 23.04 3 0 25.99 -999 ? MG MG A 301 >VAL^A 57 51.92 10.88 25.16 52.00 9.88 27.05 51.96 10.38 26.11 3 0 27.19 -999 ? MG MG A 301 >ASP^A 58 53.93 9.80 21.09 53.83 8.90 19.15 53.88 9.35 20.12 2 0 26.75 -999 ? MG MG B 302 >PHE^A 59 52.93 4.70 25.02 52.08 5.30 27.62 52.51 5.00 26.32 3 0 31.59 -999 ? MG MG A 301 >TYR^A 60 55.01 4.24 16.98 56.13 3.24 14.65 55.57 3.74 15.82 3 0 27.11 -999 ? MG MG B 302 >LYS^A 61 57.78 7.35 19.60 56.77 12.20 15.61 57.27 9.77 17.61 2 0 21.99 -999 ? MG MG B 302 >GLN^A 62 59.94 4.97 23.43 61.84 3.95 23.67 60.89 4.46 23.55 2 0 33.65 -999 ? MG MG B 302 >GLU^A 63 59.13 11.55 21.47 60.51 12.96 22.22 59.82 12.25 21.84 2 0 28.10 -999 ? MG MG B 302 >VAL^A 64 55.68 13.62 25.40 55.07 13.75 27.48 55.38 13.68 26.44 3 0 25.64 -999 ? MG MG A 301 >PHE^A 65 54.96 15.58 21.17 56.65 13.84 19.74 55.80 14.71 20.46 3 0 25.49 -999 ? MG MG B 302 >SER^A 66 52.67 19.58 24.88 54.49 20.94 25.63 53.58 20.26 25.25 2 0 21.38 -999 ? MG MG A 301 >TYR^A 67 48.62 23.20 22.09 46.84 25.23 21.44 47.73 24.22 21.76 3 0 21.33 -999 ? MG MG A 301 >ALA^A 68 49.70 25.59 25.48 50.75 25.89 26.51 50.23 25.74 25.99 2 0 17.09 -999 ? MG MG A 301 >ASN^A 69 46.77 28.40 23.46 47.19 29.97 22.08 46.98 29.18 22.77 2 0 19.68 -999 ? MG MG A 301 >THR^A 70 45.68 31.52 26.25 47.33 32.60 27.12 46.50 32.06 26.69 2 0 14.66 -999 ? MG MG A 301 >GLY^A 71 42.53 33.15 24.80 43.14 33.53 25.16 42.83 33.34 24.98 1 0 17.05 -999 ? MG MG A 301 >ILE^A 72 41.89 37.37 22.64 42.20 37.81 21.58 42.05 37.59 22.11 3 0 20.59 -999 ? MG MG A 301 >THR^A 73 40.93 39.17 26.72 41.99 38.78 28.61 41.46 38.97 27.67 2 0 15.13 -999 ? MG MG A 301 >THR^A 74 38.65 41.92 25.57 37.60 41.76 23.73 38.12 41.84 24.65 2 0 21.85 -999 ? MG MG A 301 >GLU^A 75 38.99 46.65 28.68 39.94 47.65 30.33 39.47 47.15 29.51 2 0 20.23 -999 ? MG MG A 301 >LYS^A 76 34.45 46.53 27.28 28.88 44.93 27.25 31.66 45.73 27.27 2 0 25.42 -999 ? MG MG A 301 >VAL^A 77 34.53 49.94 28.93 36.29 50.93 29.74 35.41 50.44 29.33 3 0 24.44 -999 ? MG MG A 301 >ILE^A 78 30.04 51.65 29.49 28.83 51.16 29.37 29.43 51.40 29.43 3 0 28.00 -999 ? MG MG A 301 >SER^A 79 32.57 55.71 29.63 34.63 56.10 28.47 33.60 55.91 29.05 2 0 29.65 -999 ? MG MG A 301 >PRO^A 80 32.73 58.72 32.72 31.18 57.87 31.37 31.96 58.30 32.05 3 0 31.21 -999 ? MG MG A 301 >ASP^A 81 31.12 60.71 27.43 31.74 59.35 25.95 31.43 60.03 26.69 2 0 34.50 -999 ? MG MG A 301 >GLY^A 82 28.20 56.94 27.27 29.01 56.97 27.07 28.61 56.95 27.17 1 0 33.62 -999 ? MG MG A 301 >SER^A 83 30.60 55.84 24.53 32.97 55.99 23.96 31.78 55.92 24.25 2 0 32.41 -999 ? MG MG A 301 >VAL^A 84 31.80 52.18 24.62 30.40 50.56 24.01 31.10 51.37 24.31 3 0 29.73 -999 ? MG MG A 301 >ASN^A 85 36.44 52.20 24.38 35.62 54.19 24.50 36.03 53.19 24.44 2 0 29.83 -999 ? MG MG A 301 >LYS^A 86 37.08 47.78 23.56 32.88 44.24 21.89 34.98 46.01 22.73 2 0 26.38 -999 ? MG MG A 301 >ARG^A 87 43.15 49.03 26.22 43.83 48.14 29.12 43.49 48.59 27.67 2 0 20.70 -999 ? MG MG A 301 >THR^A 88 42.44 43.75 23.46 42.54 42.92 21.44 42.49 43.33 22.45 2 0 23.22 -999 ? MG MG A 301 >GLY^A 89 45.26 41.83 25.16 44.62 41.32 24.97 44.94 41.58 25.06 1 0 19.32 -999 ? MG MG A 301 >LYS^A 90 46.62 38.29 25.46 47.51 33.29 23.22 47.06 35.79 24.34 2 0 18.58 -999 ? MG MG A 301 >ALA^A 91 47.92 36.55 28.62 47.12 35.53 29.40 47.52 36.04 29.01 2 0 12.93 -999 ? MG MG A 301 >SER^A 92 51.45 35.15 28.48 53.73 34.74 29.17 52.59 34.94 28.82 2 0 15.40 -999 ? MG MG A 301 >THR^A 93 51.84 31.38 28.05 51.33 31.03 25.98 51.58 31.21 27.02 2 0 16.79 -999 ? MG MG A 301 >GLU^A 94 57.11 32.79 29.92 57.45 34.91 29.85 57.28 33.85 29.88 2 0 17.31 -999 ? MG MG A 301 >ASN^A 95 53.15 30.26 34.15 54.71 31.63 34.63 53.93 30.94 34.39 2 0 11.82 -999 ? MG MG A 301 >ILE^A 96 50.36 27.08 30.07 49.08 27.36 29.65 49.72 27.22 29.86 3 0 13.35 -999 ? MG MG A 301 >VAL^A 97 53.92 23.93 31.23 55.30 24.92 32.57 54.61 24.43 31.90 3 0 15.35 -999 ? MG MG A 301 >CYH^A 98 54.28 20.21 31.25 53.90 17.78 30.01 54.09 19.00 30.63 2 0 20.08 -999 ? MG MG A 301 >THR^A 99 57.00 19.23 33.62 57.15 20.62 35.35 57.07 19.92 34.49 2 0 17.46 -999 ? MG MG A 301 >ASP^A 100 57.94 16.31 36.90 58.41 17.97 38.14 58.17 17.14 37.52 2 0 19.37 -999 ? MG MG A 301 >ILE^A 101 58.52 14.06 31.23 58.18 14.42 30.03 58.35 14.24 30.63 3 0 24.46 -999 ? MG MG A 301 >VAL^A 102 59.49 10.42 34.08 60.28 10.39 36.14 59.89 10.40 35.11 3 0 26.67 -999 ? MG MG A 301 >TRP^A 103 59.99 9.32 29.49 57.09 7.83 27.30 58.54 8.58 28.39 3 0 29.78 -999 ? MG MG A 301 >ASN^A 104 58.56 3.32 34.63 56.45 3.24 34.31 57.51 3.28 34.47 2 0 31.44 -999 ? MG MG A 301 >SER^A 105 58.68 0.04 31.71 59.83 -1.21 33.39 59.26 -0.58 32.55 2 0 36.93 -999 ? MG MG A 301 >GLY^A 106 54.86 0.41 31.55 55.20 1.08 31.82 55.03 0.75 31.68 1 0 34.24 -999 ? MG MG A 301 >GLY^A 107 54.14 4.13 31.22 54.89 4.06 31.34 54.52 4.09 31.28 1 0 30.77 -999 ? MG MG A 301 >VAL^A 108 55.06 7.72 31.92 55.04 9.26 30.34 55.05 8.49 31.13 3 0 27.28 -999 ? MG MG A 301 >GLN^A 109 55.18 9.98 36.68 55.20 8.30 38.04 55.19 9.14 37.36 2 0 25.68 -999 ? MG MG A 301 >PHE^A 110 53.06 14.15 32.16 50.69 13.44 30.81 51.88 13.80 31.48 3 0 21.60 -999 ? MG MG A 301 >LYS^A 111 52.67 17.19 35.90 54.65 19.90 40.50 53.66 18.55 38.20 2 0 15.16 -999 ? MG MG A 301 >MET?A 112 50.59 19.69 33.92 47.68 17.73 31.45 49.14 18.71 32.69 2 0 17.41 -999 ? MG MG A 301 >SER^A 113 50.46 23.17 35.47 52.68 22.78 36.32 51.57 22.98 35.90 2 0 12.78 -999 ? MG MG A 301 >ALA^A 114 48.76 26.30 34.29 47.48 26.05 33.56 48.12 26.17 33.93 2 0 10.07 -999 ? MG MG A 301 >SER^A 115 48.89 29.76 35.69 49.85 31.26 37.35 49.37 30.51 36.52 2 0 6.34 -999 ? MG MG A 301 >ALA^A 116 47.49 32.63 33.63 46.88 32.21 32.30 47.19 32.42 32.96 2 0 9.46 -999 ? MG MG A 301 >SER^A 117 46.51 36.12 34.76 48.66 37.10 34.49 47.58 36.61 34.63 2 0 9.60 -999 ? MG MG A 301 >ASN^A 118 43.06 39.25 33.60 42.05 40.75 32.42 42.56 40.00 33.01 2 0 13.27 -999 ? MG MG A 301 >PRO^A 119 45.83 39.92 29.07 46.23 40.45 31.16 46.03 40.18 30.12 3 0 14.31 -999 ? MG MG A 301 >LEU^A 120 43.29 44.17 30.03 43.47 44.44 27.91 43.38 44.30 28.97 3 0 17.94 -999 ? MG MG A 301 >ASN^A 121 42.17 43.63 35.13 41.78 43.56 37.19 41.98 43.60 36.16 2 0 13.12 -999 ? MG MG A 301 >VAL^A 122 46.72 43.52 36.89 48.81 44.16 36.44 47.77 43.84 36.66 3 0 13.39 -999 ? MG MG A 301 >TYR^A 123 44.25 46.10 40.65 45.04 48.81 40.82 44.65 47.45 40.74 3 0 15.82 -999 ? MG MG A 301 >ALA^A 124 43.58 40.15 39.27 42.90 39.89 37.96 43.24 40.02 38.62 2 0 9.26 -999 ? MG MG A 301 >PRO^A 125 43.23 36.81 42.01 44.77 37.56 40.56 44.00 37.19 41.29 3 0 5.65 -999 ? MG MG A 301 >PRO^A 126 48.05 33.88 39.22 46.06 34.75 38.63 47.06 34.31 38.92 3 0 -4.21 -999 ? MG MG A 301s >VAL^A 127 43.84 31.10 37.41 42.41 30.77 35.78 43.12 30.94 36.60 3 0 5.43 -999 ? MG MG A 301 >ASP^A 128 46.50 28.23 39.77 47.49 30.10 39.82 46.99 29.17 39.79 2 0 -3.32 -999 ? MG MG A 301s >TYR^A 129 44.80 23.54 35.75 45.57 23.36 33.08 45.18 23.45 34.41 3 0 10.90 -999 ? MG MG A 301 >VAL^A 130 47.95 21.50 38.50 49.44 21.85 40.12 48.69 21.67 39.31 3 0 10.84 -999 ? MG MG A 301 >LEU^A 131 46.54 17.43 36.47 44.61 18.15 35.88 45.58 17.79 36.17 3 0 14.90 -999 ? MG MG A 301 >ASN^A 132 50.16 14.55 39.76 50.61 16.24 40.93 50.39 15.39 40.35 2 0 16.38 -999 ? MG MG A 301 >VAL^A 133 48.95 12.45 35.69 48.58 13.08 33.62 48.76 12.77 34.65 3 0 20.45 -999 ? MG MG A 301 >CYH^A 134 50.20 8.98 35.26 50.67 6.53 36.33 50.43 7.76 35.79 2 0 26.26 -999 ? MG MG A 301 >VAL^A 135 49.61 7.12 31.93 49.09 8.30 30.12 49.35 7.71 31.02 3 0 26.52 -999 ? MG MG A 301 >LYS^A 136 50.14 3.36 31.42 51.28 2.21 35.89 50.71 2.78 33.66 2 0 30.58 -999 ? MG MG A 302 >LYS^A 137 50.97 1.58 28.14 56.13 1.49 28.03 53.55 1.54 28.08 2 0 34.85 -999 ? MG MG A 301 >ASP^A 138 47.10 -0.97 29.63 45.89 0.22 30.96 46.49 -0.37 30.30 2 0 33.08 -999 ? MG MG A 302 >GLY^A 139 45.86 3.19 27.93 45.99 3.01 28.71 45.93 3.10 28.32 1 0 31.58 -999 ? MG MG A 301 >SER^A 140 44.28 3.90 31.34 44.69 1.94 32.71 44.49 2.92 32.02 2 0 30.67 -999 ? MG MG A 302 >ILE^A 141 44.85 8.36 32.52 44.24 9.19 31.60 44.54 8.77 32.06 3 0 24.80 -999 ? MG MG A 301 >ASP^A 142 46.39 7.18 37.53 46.28 7.18 39.63 46.34 7.18 38.58 2 0 23.70 -999 ? MG MG A 302 >VAL^A 143 45.10 11.92 37.77 44.64 13.24 36.06 44.87 12.58 36.91 3 0 19.34 -999 ? MG MG A 302 >GLN^A 144 46.49 12.77 42.93 46.53 10.83 42.06 46.51 11.80 42.49 2 0 19.77 -999 ? MG MG A 302 >GLY^A 145 44.20 17.56 40.29 44.09 17.33 41.06 44.15 17.45 40.68 1 0 13.39 -999 ? MG MG A 302 >GLU^A 146 45.17 20.35 44.20 46.68 21.21 45.40 45.92 20.78 44.80 2 0 9.80 -999 ? MG MG A 302 >HIS^A 147 40.24 23.10 39.83 38.32 22.34 40.22 39.28 22.72 40.03 3 0 9.20 -999 ? MG MG A 302 >ASP^A 148 41.50 28.88 41.13 43.33 29.67 41.93 42.42 29.27 41.53 2 0 2.72 -999 ? MG MG A 301s >GLY^A 149 37.26 27.53 42.29 37.61 28.00 41.76 37.44 27.77 42.02 1 0 6.01 -999 ? MG MG A 302 >PHE^A 150 35.63 32.10 38.88 34.73 33.93 37.00 35.18 33.01 37.94 3 0 10.47 -999 ? MG MG A 302 >PRO^A 151 37.40 30.51 34.60 36.49 29.88 36.60 36.94 30.19 35.60 3 0 10.26 -999 ? MG MG A 301 >CYH^A 152 34.81 26.51 34.70 32.10 26.95 34.06 33.45 26.73 34.38 2 0 15.18 -999 ? MG MG A 302 >PHE^A 153 38.89 24.49 36.07 40.14 26.70 37.23 39.51 25.59 36.65 3 0 9.64 -999 ? MG MG A 301 >GLU^A 154 36.54 21.95 29.78 35.14 22.21 28.17 35.84 22.08 28.98 2 0 19.22 -999 ? MG MG A 301 >PHE^A 155 40.89 18.60 33.43 41.76 20.84 34.84 41.33 19.72 34.13 3 0 14.59 -999 ? MG MG A 301 >TYR^A 156 37.50 16.28 27.75 35.30 17.94 28.08 36.40 17.11 27.91 3 0 21.80 -999 ? MG MG A 301 >LYS^A 157 41.42 12.06 27.58 41.46 5.93 29.41 41.44 8.99 28.50 2 0 28.65 -999 ? MG MG A 302 >GLN^A 158 40.78 11.56 21.62 40.89 13.15 20.22 40.84 12.35 20.92 2 0 28.59 -999 ? MG MG A 301 >VAL^A 159 43.25 7.74 22.95 42.72 5.92 24.00 42.99 6.83 23.47 3 0 30.82 -999 ? MG MG A 301 >ASP^A 160 44.21 5.00 19.54 46.02 3.84 19.76 45.11 4.42 19.65 2 0 31.61 -999 ? MG MG B 302 >PHE^A 161 44.24 9.29 16.03 46.90 9.95 15.56 45.57 9.62 15.80 3 0 25.62 -999 ? MG MG B 302 >GLY^A 162 39.06 7.86 19.11 39.37 8.59 19.31 39.22 8.22 19.21 1 0 31.98 -999 ? MG MG B 302 >PRO^A 163 35.17 7.53 20.90 36.70 9.19 20.61 35.94 8.36 20.76 3 0 32.58 -999 ? MG MG A 301 >PHE^A 164 37.51 14.27 23.18 39.37 15.97 21.97 38.44 15.12 22.58 3 0 26.07 -999 ? MG MG A 301 >GLU^A 165 36.12 8.31 27.27 37.25 6.55 27.60 36.68 7.43 27.44 2 0 29.56 -999 ? MG MG A 302 >LYS^A 166 35.34 13.14 30.41 31.67 15.04 34.58 33.50 14.09 32.49 2 0 20.93 -999 ? MG MG A 302 >ILE^A 167 39.46 13.57 32.99 40.92 13.17 32.94 40.19 13.37 32.97 3 0 20.59 -999 ? MG MG A 302 >TYR^A 168 37.31 16.98 37.59 36.65 18.86 39.55 36.98 17.92 38.57 3 0 14.52 -999 ? MG MG A 302 >THR^A 169 34.64 19.08 35.13 33.08 18.40 33.78 33.86 18.74 34.45 2 0 18.45 -999 ? MG MG A 302 >HIS^A 170 34.91 23.57 39.32 34.35 24.95 40.81 34.63 24.26 40.07 3 0 10.56 -999 ? MG MG A 302 >ASP^A 171 29.78 23.67 36.63 28.48 25.11 35.71 29.13 24.39 36.17 2 0 17.17 -999 ? MG MG A 302 >PHE^A 172 31.82 29.57 38.19 30.91 31.55 36.40 31.36 30.56 37.29 3 0 13.28 -999 ? MG MG A 302 >ARG^A 173 27.76 29.24 35.14 27.46 27.11 32.86 27.61 28.18 34.00 2 0 19.27 -999 ? MG MG A 302 >GLU^A 174 25.88 23.57 38.04 23.76 23.95 38.22 24.82 23.76 38.13 2 0 20.39 -999 ? MG MG A 302 >THR^A 175 29.08 25.19 42.91 31.22 24.90 42.83 30.15 25.05 42.87 2 0 12.07 -999 ? MG MG A 302 >GLY^A 176 28.44 28.55 44.52 29.08 28.46 44.03 28.76 28.51 44.28 1 0 13.62 -999 ? MG MG A 302 >ASP^A 177 33.02 29.04 43.18 33.79 27.88 44.78 33.41 28.46 43.98 2 0 8.44 -999 ? MG MG A 302 >THR^A 178 32.90 33.33 42.26 32.53 35.14 43.38 32.71 34.24 42.82 2 0 11.01 -999 ? MG MG A 302 >ALA^A 179 35.90 35.25 40.82 35.84 36.46 39.90 35.87 35.86 40.36 2 0 10.50 -999 ? MG MG A 302 >ALA^A 180 37.01 35.73 44.42 36.08 35.79 45.62 36.54 35.76 45.02 2 0 8.42 -999 ? MG MG A 302 >ALA^A 181 38.08 32.08 44.23 37.12 30.96 43.87 37.60 31.52 44.05 2 0 -5.18 -999 ? MG MG A 302s >LEU^A 182 40.67 34.08 40.79 40.73 33.90 38.69 40.70 33.99 39.74 3 0 -5.34 -999 ? MG MG A 301s >GLY^A 183 42.94 34.42 44.60 42.51 33.67 44.58 42.73 34.04 44.59 1 0 -4.64 -999 ? MG MG A 301s >GLY^A 184 44.11 32.36 47.58 44.42 32.35 46.80 44.26 32.36 47.19 1 0 4.07 -999 ? MG MG A 302 >ASN^A 185 46.32 28.07 47.82 46.06 28.58 49.86 46.19 28.33 48.84 2 0 -6.30 -999 ? MG MG A 302s >MET?A 186 43.79 26.16 44.82 46.34 24.69 41.73 45.07 25.42 43.28 2 0 7.08 -999 ? MG MG A 301 >ASP^A 187 39.43 26.57 46.78 39.37 27.83 45.03 39.40 27.20 45.91 2 0 -3.29 -999 ? MG MG A 302s >TYR^A 188 37.17 23.04 44.09 34.69 24.12 44.73 35.93 23.58 44.41 3 0 8.73 -999 ? MG MG A 302 >SER^A 189 40.99 19.00 44.32 41.51 18.14 46.48 41.25 18.57 45.40 2 0 11.75 -999 ? MG MG A 302 >PHE^A 190 39.84 16.38 40.26 41.25 17.12 37.97 40.54 16.75 39.12 3 0 14.49 -999 ? MG MG A 302 >THR^A 191 41.09 12.09 41.99 41.84 10.51 43.34 41.47 11.30 42.66 2 0 19.40 -999 ? MG MG A 302 >LYS^A 192 40.19 10.20 38.86 35.42 9.85 36.29 37.80 10.03 37.58 2 0 22.83 -999 ? MG MG A 302 >ARG^A 193 43.09 4.06 39.01 41.78 1.42 39.93 42.43 2.74 39.47 2 0 28.88 -999 ? MG MG A 302 >LEU^A 194 39.77 7.37 32.75 37.92 8.15 31.92 38.85 7.76 32.34 3 0 25.73 -999 ? MG MG A 302 >THR^B 2 25.51 29.18 13.74 26.24 28.19 11.93 25.88 28.68 12.84 2 0 34.11 -999 ? MG MG B 302 >ASN^B 3 28.49 30.55 17.19 26.69 31.26 18.05 27.59 30.91 17.62 2 0 29.91 -999 ? MG MG A 301 >ILE^B 4 32.16 28.07 16.48 33.67 28.47 16.70 32.92 28.27 16.59 3 0 28.03 -999 ? MG MG A 301 >ILE^B 5 31.93 27.22 10.78 32.19 27.23 9.93 32.06 27.23 10.35 3 0 28.18 -999 ? MG MG B 302 >LYS^B 6 36.26 25.44 11.74 39.65 23.12 16.29 37.95 24.28 14.01 2 0 25.90 -999 ? MG MG B 302 >ILE^B 7 38.55 25.14 7.56 37.66 24.77 6.38 38.11 24.96 6.97 3 0 21.00 -999 ? MG MG B 302 >ARG^B 8 41.99 18.82 11.83 44.91 18.76 12.93 43.45 18.79 12.38 2 0 20.39 -999 ? MG MG B 302 >ALA^B 9 44.07 20.95 7.16 44.62 22.08 6.31 44.35 21.52 6.74 2 0 15.20 -999 ? MG MG B 302 >SER^B 10 46.56 18.21 7.58 47.33 16.50 9.08 46.94 17.36 8.33 2 0 16.60 -999 ? MG MG B 302 >VAL^B 11 49.56 17.10 5.56 50.50 18.23 3.98 50.03 17.67 4.77 3 0 11.46 -999 ? MG MG B 302 >PHE^B 12 49.02 12.29 7.19 47.01 10.60 6.19 48.02 11.44 6.69 3 0 17.13 -999 ? MG MG B 302 >ILE^B 13 54.62 10.80 5.52 55.90 10.76 4.95 55.26 10.78 5.23 3 0 14.76 -999 ? MG MG B 302 >PRO^B 14 50.65 7.43 4.14 51.51 8.23 6.07 51.08 7.83 5.10 3 0 17.45 -999 ? MG MG B 301 >MET?B 15 54.32 5.36 6.66 54.29 6.03 3.07 54.31 5.70 4.87 2 0 17.10 -999 ? MG MG B 301 >SER^B 16 56.70 5.18 9.63 55.76 3.58 11.01 56.23 4.38 10.32 2 0 23.97 -999 ? MG MG B 302 >TRP^B 17 60.58 4.12 10.09 62.84 6.94 11.57 61.71 5.53 10.83 3 0 23.10 -999 ? MG MG B 302 >THR^B 18 60.02 7.32 3.97 60.86 9.29 4.05 60.44 8.30 4.01 2 0 16.08 -999 ? MG MG B 302 >GLU^B 19 59.29 4.54 -0.16 58.81 2.51 -0.44 59.05 3.52 -0.30 2 0 18.96 -999 ? MG MG B 301 >ALA^B 20 65.03 4.30 1.59 65.67 2.91 1.68 65.35 3.60 1.64 2 0 22.05 -999 ? MG MG B 301 >LYS^B 21 67.50 6.37 -0.39 64.53 11.03 -2.88 66.02 8.70 -1.64 2 0 13.97 -999 ? MG MG B 301 >MET?B 22 70.78 4.56 -0.91 72.28 0.74 -0.66 71.53 2.65 -0.79 2 0 24.30 -999 ? MG MG C 301 >ASP^B 23 74.31 7.55 -1.09 75.08 9.17 -2.23 74.70 8.36 -1.66 2 0 15.67 -999 ? MG MG C 301 >MET?B 24 76.56 3.90 -3.32 73.65 1.69 -4.90 75.11 2.80 -4.11 2 0 23.65 -999 ? MG MG C 301 >GLU^B 25 79.57 9.59 -3.08 79.20 11.68 -3.64 79.39 10.64 -3.36 2 0 12.88 -999 ? MG MG C 301 >THR^B 26 78.84 6.55 0.66 78.10 8.59 1.24 78.47 7.57 0.95 2 0 15.26 -999 ? MG MG C 301 >GLY^B 27 77.29 2.95 1.20 76.99 3.70 1.33 77.14 3.33 1.26 1 0 20.96 -999 ? MG MG C 301 >GLN^B 28 76.08 6.47 4.44 76.37 8.43 5.15 76.23 7.45 4.80 2 0 16.31 -999 ? MG MG C 301 >VAL^B 29 70.87 4.49 3.48 69.69 2.66 3.36 70.28 3.58 3.42 3 0 22.54 -999 ? MG MG C 301 >ILE^B 30 69.33 9.06 3.82 70.17 9.60 3.52 69.75 9.33 3.67 3 0 17.92 -999 ? MG MG C 301 >GLN^B 31 64.85 5.67 6.51 64.18 3.71 5.97 64.51 4.69 6.24 2 0 22.67 -999 ? MG MG B 302 >PHE^B 32 63.68 12.44 5.83 65.90 13.72 4.72 64.79 13.08 5.28 3 0 15.77 -999 ? MG MG B 302 >GLU^B 33 59.88 9.09 12.22 59.91 9.49 14.33 59.89 9.29 13.27 2 0 22.65 -999 ? MG MG B 302 >GLY^B 34 56.73 9.38 8.85 56.97 9.44 9.63 56.85 9.41 9.24 1 0 18.20 -999 ? MG MG B 302 >ASP^B 35 52.63 11.07 10.18 53.68 12.85 9.94 53.15 11.96 10.06 2 0 16.92 -999 ? MG MG B 302 >SER^B 36 52.58 6.45 11.01 53.61 4.84 12.41 53.09 5.65 11.71 2 0 24.04 -999 ? MG MG B 302 >ARG^B 37 47.41 10.20 11.40 46.99 12.91 10.22 47.20 11.55 10.81 2 0 19.17 -999 ? MG MG B 302 >GLU^B 38 44.79 4.95 7.12 46.66 4.47 6.21 45.73 4.71 6.66 2 0 21.75 -999 ? MG MG B 301 >PHE^B 39 43.21 9.88 5.15 44.59 10.44 2.80 43.90 10.16 3.97 3 0 18.11 -999 ? MG MG B 301 >THR^B 40 41.77 11.06 10.77 42.63 10.70 12.73 42.20 10.88 11.75 2 0 24.25 -999 ? MG MG B 302 >PRO^B 41 38.25 13.35 11.27 40.41 13.69 11.73 39.33 13.52 11.50 3 0 24.28 -999 ? MG MG B 302 >HIS^B 42 39.34 12.99 16.30 37.26 13.24 16.40 38.30 13.11 16.35 3 0 28.37 -999 ? MG MG B 302 >ALA^B 43 45.25 14.39 14.98 45.85 13.87 13.70 45.55 14.13 14.34 2 0 21.96 -999 ? MG MG B 302 >VAL^B 44 45.60 17.91 16.34 44.07 19.42 16.19 44.83 18.66 16.27 3 0 23.27 -999 ? MG MG B 302 >ASN^B 45 47.87 19.20 19.75 47.40 21.26 19.77 47.64 20.23 19.76 2 0 24.27 -999 ? MG MG A 301 >THR^B 46 49.71 15.16 18.13 48.80 13.51 17.14 49.25 14.34 17.63 2 0 23.88 -999 ? MG MG B 302 >MET?B 47 52.87 15.71 16.07 54.50 18.35 16.63 53.68 17.03 16.35 2 0 20.92 -999 ? MG MG B 302 >ARG^B 48 52.22 10.51 15.00 52.46 7.79 16.39 52.34 9.15 15.69 2 0 25.20 -999 ? MG MG B 302 >SER^B 49 51.67 15.70 10.57 49.37 16.19 11.15 50.52 15.94 10.86 2 0 17.51 -999 ? MG MG B 302 >ARG^B 50 55.38 14.91 7.80 56.60 14.73 10.62 55.99 14.82 9.21 2 0 16.38 -999 ? MG MG B 302 >VAL^B 51 51.95 20.40 8.31 52.20 21.83 6.69 52.08 21.11 7.50 3 0 12.05 -999 ? MG MG B 302 >GLU^B 52 47.87 20.25 12.36 48.11 19.69 14.43 47.99 19.97 13.40 2 0 20.06 -999 ? MG MG B 302 >GLN^B 53 46.20 26.35 8.70 46.62 27.22 6.80 46.41 26.79 7.75 2 0 14.94 -999 ? MG MG B 302 >GLU^B 54 43.18 23.27 12.99 42.40 22.23 14.68 42.79 22.75 13.83 2 0 22.94 -999 ? MG MG B 302 >VAL^B 55 41.16 28.33 10.56 41.44 29.73 8.92 41.30 29.03 9.74 3 0 21.03 -999 ? MG MG B 302 >VAL^B 56 38.20 29.23 12.75 38.04 28.49 14.74 38.12 28.86 13.75 3 0 25.85 -999 ? MG MG B 302 >VAL^B 57 35.51 31.68 11.79 34.41 31.67 9.89 34.96 31.68 10.84 3 0 27.23 -999 ? MG MG B 302 >ASP^B 58 34.42 33.56 15.74 33.50 33.49 17.59 33.96 33.52 16.66 2 0 26.73 -999 ? MG MG A 301 >PHE^B 59 29.63 33.55 11.36 30.42 32.81 8.75 30.02 33.18 10.06 3 0 31.31 -999 ? MG MG B 302 >TYR^B 60 28.84 35.27 19.49 28.03 36.56 21.83 28.44 35.92 20.66 3 0 27.11 -999 ? MG MG A 301 >LYS^B 61 32.50 37.62 17.61 36.68 34.92 21.51 34.59 36.27 19.56 2 0 22.03 -999 ? MG MG A 301 >GLN^B 62 30.84 39.50 12.81 30.50 40.90 11.24 30.67 40.20 12.02 2 0 34.87 -999 ? MG MG B 302 >GLU^B 63 36.89 38.35 16.01 38.64 39.45 15.67 37.76 38.90 15.84 2 0 27.83 -999 ? MG MG A 301 >VAL^B 64 38.92 34.89 12.06 38.92 34.47 9.96 38.92 34.68 11.01 3 0 25.70 -999 ? MG MG B 302 >PHE^B 65 40.29 33.39 16.17 38.73 35.25 17.59 39.51 34.32 16.88 3 0 25.48 -999 ? MG MG A 301 >SER^B 66 44.21 30.46 12.82 45.29 32.17 11.68 44.75 31.31 12.25 2 0 21.21 -999 ? MG MG B 302 >TYR^B 67 46.94 25.86 15.48 48.70 23.84 16.15 47.82 24.85 15.82 3 0 21.41 -999 ? MG MG B 302 >ALA^B 68 49.62 26.74 12.20 50.27 27.75 11.36 49.94 27.25 11.78 2 0 17.09 -999 ? MG MG B 302 >ASN^B 69 51.67 23.38 14.25 53.20 23.05 15.64 52.43 23.21 14.95 2 0 19.69 -999 ? MG MG B 302 >THR^B 70 54.82 21.76 11.59 56.34 23.17 10.82 55.58 22.47 11.21 2 0 14.69 -999 ? MG MG B 302 >GLY^B 71 56.04 18.34 12.69 56.53 18.94 12.41 56.28 18.64 12.55 1 0 17.03 -999 ? MG MG B 302 >ILE^B 72 59.98 16.80 15.10 59.97 17.05 15.97 59.97 16.92 15.54 3 0 20.55 -999 ? MG MG B 302 >THR^B 73 61.79 16.15 11.00 62.15 17.08 9.05 61.97 16.61 10.02 2 0 15.28 -999 ? MG MG B 302 >THR^B 74 63.99 13.20 11.95 63.36 12.32 13.84 63.68 12.76 12.89 2 0 21.68 -999 ? MG MG B 302 >GLU^B 75 68.81 12.14 8.61 69.95 13.49 7.45 69.38 12.81 8.03 2 0 15.82 -999 ? MG MG C 301 >LYS^B 76 67.82 8.19 10.14 64.96 3.09 10.62 66.39 5.64 10.38 2 0 25.77 -999 ? MG MG B 302 >VAL^B 77 71.13 7.26 8.54 72.49 8.75 7.68 71.81 8.01 8.11 3 0 19.17 -999 ? MG MG C 301 >ILE^B 78 71.48 2.41 7.92 70.74 2.20 8.29 71.11 2.31 8.10 3 0 24.32 -999 ? MG MG C 301 >SER^B 79 76.03 3.33 7.67 77.04 5.28 8.60 76.53 4.31 8.14 2 0 20.24 -999 ? MG MG C 301 >PRO^B 80 79.03 2.16 4.84 77.69 1.12 6.27 78.36 1.64 5.56 3 0 22.65 -999 ? MG MG C 301 >ASP^B 81 79.93 -0.44 10.01 79.44 1.19 11.29 79.68 0.38 10.65 2 0 24.85 -999 ? MG MG C 301 >GLY^B 82 75.19 -1.17 10.71 75.60 -0.52 10.87 75.40 -0.85 10.79 1 0 27.22 -999 ? MG MG C 301 >SER^B 83 75.19 1.98 12.89 77.54 2.36 12.62 76.37 2.17 12.75 2 0 24.53 -999 ? MG MG C 301 >VAL^B 84 72.25 4.33 12.83 70.49 3.28 13.66 71.37 3.81 13.25 3 0 25.02 -999 ? MG MG C 301 >ASN^B 85 73.33 8.76 12.96 74.70 9.19 14.54 74.02 8.98 13.75 2 0 20.68 -999 ? MG MG C 301 >LYS^B 86 69.25 10.45 13.86 65.27 7.74 16.08 67.26 9.10 14.97 2 0 26.44 -999 ? MG MG B 302 >ARG^B 87 72.30 15.49 11.27 71.00 17.29 9.11 71.65 16.39 10.19 2 0 13.84 -999 ? MG MG C 301 >THR^B 88 66.42 16.42 14.22 65.45 16.28 16.18 65.93 16.35 15.20 2 0 22.44 -999 ? MG MG C 301 >GLY^B 89 64.90 19.68 12.95 64.28 19.13 13.13 64.59 19.41 13.04 1 0 19.24 -999 ? MG MG B 302 >LYS^B 90 61.66 21.61 12.88 56.74 22.88 14.81 59.20 22.25 13.85 2 0 18.68 -999 ? MG MG B 302 >ALA^B 91 60.40 23.47 9.84 59.47 22.84 8.80 59.94 23.16 9.32 2 0 13.14 -999 ? MG MG B 302 >SER^B 92 59.57 27.12 10.15 59.58 29.43 9.62 59.58 28.28 9.88 2 0 15.63 -999 ? MG MG B 302 >THR^B 93 55.83 27.92 10.11 55.23 27.31 12.11 55.53 27.61 11.11 2 0 16.72 -999 ? MG MG B 302 >GLU^B 94 58.44 31.30 7.43 60.35 32.14 7.14 59.39 31.72 7.29 2 0 15.34 -999 ? MG MG B 302 >ASN^B 95 55.48 29.92 4.32 57.36 30.88 4.11 56.42 30.40 4.21 2 0 11.72 -999 ? MG MG B 302 >ILE^B 96 51.61 27.54 7.74 51.67 26.22 8.10 51.64 26.88 7.92 3 0 13.30 -999 ? MG MG B 302 >VAL^B 97 49.14 31.55 6.72 50.67 32.74 5.69 49.91 32.14 6.21 3 0 15.24 -999 ? MG MG B 302 >CYH^B 98 45.60 32.73 6.62 42.99 32.75 7.44 44.29 32.74 7.03 2 0 20.05 -999 ? MG MG B 302 >THR^B 99 45.21 35.64 4.32 46.88 35.89 2.90 46.04 35.77 3.61 2 0 17.59 -999 ? MG MG B 302 >ASP^B 100 42.99 37.37 0.88 44.84 37.85 0.06 43.92 37.61 0.47 2 0 19.41 -999 ? MG MG B 302 >ILE^B 101 40.35 37.83 6.34 40.42 37.25 7.56 40.38 37.54 6.95 3 0 24.23 -999 ? MG MG B 302 >VAL^B 102 37.09 39.54 3.35 37.30 40.50 1.39 37.20 40.02 2.37 3 0 26.46 -999 ? MG MG B 302 >TRP^B 103 35.60 40.22 7.93 33.65 37.37 9.82 34.62 38.79 8.88 3 0 29.74 -999 ? MG MG B 302 >ASN^B 104 30.21 38.92 1.75 31.47 37.16 1.65 30.84 38.04 1.70 2 0 29.09 -999 ? MG MG B 302 >SER^B 105 27.02 40.56 4.17 25.36 40.23 2.44 26.19 40.40 3.31 2 0 35.94 -999 ? MG MG B 302 >GLY^B 106 26.39 36.79 4.03 27.13 36.99 4.25 26.76 36.89 4.14 1 0 33.78 -999 ? MG MG B 302 >GLY^B 107 29.66 35.38 5.31 29.83 36.13 5.00 29.74 35.76 5.16 1 0 30.70 -999 ? MG MG B 302 >VAL^B 108 33.40 35.67 4.87 34.73 35.30 6.57 34.06 35.49 5.72 3 0 27.21 -999 ? MG MG B 302 >GLN^B 109 34.88 34.97 0.21 34.74 36.13 -1.56 34.81 35.55 -0.67 2 0 25.35 -999 ? MG MG B 302 >PHE^B 110 39.39 32.59 5.17 38.42 30.20 6.23 38.91 31.40 5.70 3 0 21.49 -999 ? MG MG B 302 >LYS^B 111 42.84 32.14 1.80 46.84 32.68 -2.87 44.84 32.41 -0.54 2 0 13.75 -999 ? MG MG B 302 >MET?B 112 44.66 29.37 3.65 41.80 26.83 5.61 43.23 28.10 4.63 2 0 17.57 -999 ? MG MG B 302 >SER^B 113 48.02 28.73 2.06 49.36 30.67 1.74 48.69 29.70 1.90 2 0 11.94 -999 ? MG MG B 302 >ALA^B 114 50.76 26.40 3.41 50.25 25.15 3.98 50.51 25.78 3.70 2 0 10.05 -999 ? MG MG B 302 >SER^B 115 54.36 25.96 2.48 56.06 26.75 0.95 55.21 26.35 1.71 2 0 6.48 -999 ? MG MG B 302 >ALA^B 116 56.90 23.91 4.45 56.31 22.97 5.47 56.61 23.44 4.96 2 0 9.34 -999 ? MG MG B 302 >SER^B 117 60.50 22.87 3.68 61.23 25.10 3.08 60.87 23.99 3.38 2 0 9.14 -999 ? MG MG B 302 >ASN^B 118 63.19 18.87 4.27 64.22 17.47 5.51 63.70 18.17 4.89 2 0 13.44 -999 ? MG MG B 302 >PRO^B 119 63.65 20.51 9.24 64.36 21.39 7.30 64.01 20.95 8.27 3 0 14.64 -999 ? MG MG B 302 >LEU^B 120 67.42 17.84 7.44 67.26 17.40 9.56 67.34 17.62 8.50 3 0 16.04 -999 ? MG MG C 301 >ASN^B 121 67.88 18.90 2.12 66.44 17.41 2.72 67.16 18.16 2.42 2 0 13.37 -999 ? MG MG B 302 >VAL^B 122 67.59 23.75 2.30 68.60 25.61 3.00 68.09 24.68 2.65 3 0 11.03 -999 ? MG MG C 302 >TYR^B 123 69.94 23.37 -1.64 72.13 24.82 -0.63 71.03 24.10 -1.14 3 0 6.98 -999 ? MG MG C 302 >ALA^B 124 64.73 20.19 -1.01 64.58 19.15 0.11 64.66 19.67 -0.45 2 0 10.06 -999 ? MG MG B 302 >PRO^B 125 62.01 19.99 -4.14 61.93 21.04 -2.17 61.97 20.51 -3.16 3 0 6.37 -999 ? MG MG B 302 >PRO^B 126 58.71 24.63 -1.36 59.10 22.59 -0.55 58.91 23.61 -0.95 3 0 -4.33 -999 ? MG MG B 302s >VAL^B 127 55.18 20.90 0.10 54.21 19.84 1.69 54.69 20.37 0.90 3 0 5.30 -999 ? MG MG B 302 >ASP^B 128 52.92 24.09 -2.19 54.73 25.14 -1.90 53.82 24.61 -2.05 2 0 -3.57 -999 ? MG MG B 302s >TYR^B 129 47.85 23.00 1.51 47.62 23.50 4.24 47.74 23.25 2.87 3 0 10.63 -999 ? MG MG B 302 >VAL^B 130 46.44 26.83 -1.04 46.59 28.22 -2.73 46.51 27.52 -1.89 3 0 10.89 -999 ? MG MG B 302 >LEU^B 131 42.21 26.02 0.98 42.26 23.91 1.14 42.23 24.96 1.06 3 0 14.77 -999 ? MG MG B 302 >ASN^B 132 40.27 30.00 -2.76 41.98 31.07 -3.41 41.13 30.54 -3.08 2 0 16.42 -999 ? MG MG B 302 >VAL^B 133 37.50 29.12 1.07 37.69 28.61 3.19 37.60 28.86 2.13 3 0 20.33 -999 ? MG MG B 302 >CYH^B 134 34.20 30.90 1.45 31.94 31.91 0.17 33.07 31.40 0.81 2 0 26.11 -999 ? MG MG B 302 >VAL^B 135 32.13 30.36 4.58 33.10 29.59 6.38 32.61 29.97 5.48 3 0 26.22 -999 ? MG MG B 302 >LYS^B 136 28.47 31.35 4.78 24.04 31.81 1.99 26.25 31.58 3.38 2 0 33.75 -999 ? MG MG B 302 >LYS^B 137 26.56 32.46 7.93 27.87 37.71 9.31 27.22 35.08 8.62 2 0 34.56 -999 ? MG MG B 302 >ASP^B 138 23.42 29.01 6.78 24.36 28.48 4.94 23.89 28.74 5.86 2 0 33.32 -999 ? MG MG B 302 >GLY^B 139 27.46 26.88 8.05 27.27 27.18 7.33 27.36 27.03 7.69 1 0 31.17 -999 ? MG MG B 302 >SER^B 140 27.68 26.34 4.28 26.00 26.10 2.61 26.84 26.22 3.44 2 0 30.81 -999 ? MG MG B 301 >ILE^B 141 32.37 25.62 3.83 33.06 24.78 4.65 32.72 25.20 4.24 3 0 24.73 -999 ? MG MG B 302 >ASP^B 142 31.69 27.40 -1.31 32.10 27.37 -3.38 31.90 27.38 -2.34 2 0 23.97 -999 ? MG MG B 301 >VAL^B 143 36.18 25.53 -1.17 37.09 24.47 0.52 36.64 25.00 -0.33 3 0 19.78 -999 ? MG MG B 302 >GLN^B 144 37.08 26.58 -5.56 36.43 28.52 -6.04 36.76 27.55 -5.80 2 0 20.13 -999 ? MG MG B 301 >GLY^B 145 42.04 23.97 -3.40 41.83 23.90 -4.16 41.93 23.94 -3.78 1 0 13.71 -999 ? MG MG B 301 >GLU^B 146 45.13 24.51 -7.01 46.08 25.99 -8.13 45.61 25.25 -7.57 2 0 10.54 -999 ? MG MG B 301 >HIS^B 147 46.73 18.97 -3.05 45.63 17.32 -3.73 46.18 18.15 -3.39 3 0 9.27 -999 ? MG MG B 301 >ASP^B 148 52.73 19.23 -3.77 53.81 20.99 -4.31 53.27 20.11 -4.04 2 0 2.58 -999 ? MG MG B 302s >GLY^B 149 50.72 15.48 -5.33 51.24 15.67 -4.78 50.98 15.57 -5.05 1 0 5.93 -999 ? MG MG B 301 >PHE^B 150 54.70 12.86 -1.84 56.31 11.50 0.05 55.50 12.18 -0.90 3 0 9.88 -999 ? MG MG B 301 >PRO^B 151 52.84 14.61 2.52 52.58 13.84 0.42 52.71 14.23 1.47 3 0 10.26 -999 ? MG MG B 302 >CYH^B 152 48.74 12.82 1.93 48.51 10.17 2.19 48.62 11.50 2.06 2 0 14.66 -999 ? MG MG B 301 >PHE^B 153 47.54 17.09 0.77 50.03 17.91 -0.19 48.79 17.50 0.29 3 0 9.59 -999 ? MG MG B 302 >GLU^B 154 44.04 15.11 6.74 44.19 13.59 8.30 44.12 14.35 7.52 2 0 19.05 -999 ? MG MG B 302 >PHE^B 155 41.83 19.89 3.03 44.27 20.46 1.74 43.05 20.17 2.38 3 0 14.47 -999 ? MG MG B 302 >TYR^B 156 38.56 16.71 8.27 39.91 14.31 7.86 39.24 15.51 8.06 3 0 21.63 -999 ? MG MG B 302 >LYS^B 157 34.97 21.28 8.44 29.03 22.82 6.58 32.00 22.05 7.51 2 0 28.85 -999 ? MG MG B 302 >GLN^B 158 33.79 20.43 14.36 35.22 19.91 15.87 34.51 20.17 15.11 2 0 28.69 -999 ? MG MG B 302 >VAL^B 159 30.65 23.49 13.04 29.01 23.58 11.52 29.83 23.54 12.28 3 0 30.69 -999 ? MG MG B 302 >ASP^B 160 28.01 24.83 16.38 27.44 26.81 15.80 27.73 25.82 16.09 2 0 31.65 -999 ? MG MG A 301 >PHE^B 161 31.87 23.58 19.99 32.61 26.21 20.65 32.24 24.89 20.32 3 0 25.78 -999 ? MG MG A 301 >GLY^B 162 29.56 19.21 16.24 30.37 19.33 16.25 29.97 19.27 16.24 1 0 32.25 -999 ? MG MG A 301 >PRO^B 163 28.84 15.29 14.64 30.61 16.66 14.77 29.72 15.98 14.71 3 0 32.74 -999 ? MG MG B 302 >PHE^B 164 36.16 16.77 12.72 38.04 18.41 13.99 37.10 17.59 13.35 3 0 25.95 -999 ? MG MG B 302 >GLU^B 165 30.38 16.84 8.28 28.95 18.37 7.83 29.67 17.61 8.05 2 0 29.66 -999 ? MG MG B 302 >LYS^B 166 35.27 15.38 5.31 37.27 9.81 3.93 36.27 12.60 4.62 2 0 22.75 -999 ? MG MG B 301 >ILE^B 167 36.58 19.56 3.20 36.57 20.93 3.46 36.57 20.25 3.33 3 0 20.75 -999 ? MG MG B 302 >TYR^B 168 40.03 17.20 -1.34 41.92 16.43 -3.19 40.98 16.82 -2.27 3 0 14.66 -999 ? MG MG B 301 >THR^B 169 41.38 13.97 0.97 40.27 12.43 2.02 40.83 13.20 1.50 2 0 18.43 -999 ? MG MG B 301 >HIS^B 170 46.22 13.75 -2.72 47.53 13.11 -4.24 46.88 13.43 -3.48 3 0 10.51 -999 ? MG MG B 301 >ASP^B 171 45.30 8.50 -0.71 46.30 6.81 0.12 45.80 7.65 -0.29 2 0 16.92 -999 ? MG MG B 301 >PHE^B 172 51.51 9.59 -1.64 53.03 8.15 0.22 52.27 8.87 -0.71 3 0 12.81 -999 ? MG MG B 301 >ARG^B 173 49.83 5.55 0.39 48.19 5.30 3.03 49.01 5.42 1.71 2 0 18.75 -999 ? MG MG B 301 >GLU^B 174 43.72 4.95 -3.28 44.76 3.14 -2.69 44.24 4.05 -2.98 2 0 19.69 -999 ? MG MG B 301 >THR^B 175 46.88 7.94 -7.07 47.05 10.06 -6.52 46.96 9.00 -6.79 2 0 12.15 -999 ? MG MG B 301 >GLY^B 176 50.45 6.82 -7.94 50.29 7.54 -7.72 50.37 7.18 -7.83 1 0 13.46 -999 ? MG MG B 301 >ASP^B 177 51.97 11.04 -6.64 50.39 11.62 -7.94 51.18 11.33 -7.29 2 0 9.03 -999 ? MG MG B 301 >THR^B 178 56.23 10.27 -5.85 58.11 9.83 -6.86 57.17 10.05 -6.35 2 0 10.48 -999 ? MG MG B 301 >ALA^B 179 58.26 12.57 -3.59 59.34 12.14 -2.62 58.80 12.35 -3.11 2 0 10.09 -999 ? MG MG B 301 >ALA^B 180 59.08 14.28 -6.88 59.39 13.60 -8.19 59.24 13.94 -7.53 2 0 7.87 -999 ? MG MG B 301 >ALA^B 181 55.54 15.65 -6.80 54.26 14.84 -6.58 54.90 15.25 -6.69 2 0 -4.86 -999 ? MG MG B 301s >LEU^B 182 57.99 17.68 -3.09 57.36 16.73 -1.25 57.68 17.20 -2.17 3 0 -5.73 -999 ? MG MG B 302s >GLY^B 183 58.74 20.22 -6.73 58.00 19.87 -6.89 58.37 20.04 -6.81 1 0 -4.35 -999 ? MG MG B 301s >GLY^B 184 57.32 22.02 -9.75 57.17 22.15 -8.93 57.25 22.08 -9.34 1 0 4.47 -999 ? MG MG B 301 >ASN^B 185 52.96 23.67 -10.63 54.00 24.89 -11.96 53.48 24.28 -11.30 2 0 -7.05 -999 ? MG MG B 301s >MET?B 186 50.87 22.18 -7.41 49.62 24.70 -4.17 50.24 23.44 -5.79 2 0 6.72 -999 ? MG MG B 302 >ASP^B 187 50.64 18.14 -9.69 51.74 17.63 -7.86 51.19 17.88 -8.78 2 0 -3.44 -999 ? MG MG B 301s >TYR^B 188 46.41 16.35 -7.52 47.38 13.88 -8.38 46.89 15.12 -7.95 3 0 8.84 -999 ? MG MG B 301 >SER^B 189 43.10 20.95 -7.74 42.82 21.56 -10.02 42.96 21.26 -8.88 2 0 12.11 -999 ? MG MG B 301 >PHE^B 190 40.06 19.97 -3.89 40.77 21.13 -1.45 40.41 20.55 -2.67 3 0 14.80 -999 ? MG MG B 301 >THR^B 191 36.37 22.10 -5.64 35.04 22.83 -7.26 35.70 22.47 -6.45 2 0 19.68 -999 ? MG MG B 301 >LYS^B 192 33.83 21.17 -2.93 31.87 16.45 -0.74 32.85 18.81 -1.84 2 0 23.73 -999 ? MG MG B 301 >ARG^B 193 29.25 23.93 -4.74 26.96 25.70 -3.52 28.11 24.81 -4.13 2 0 28.40 -999 ? MG MG B 301 >LEU^B 194 30.23 20.99 3.10 31.41 19.32 3.54 30.82 20.15 3.32 3 0 25.91 -999 ? MG MG B 301 >MET?C 1 105.61 45.84 -20.97 105.18 48.27 -18.63 105.40 47.06 -19.80 2 0 37.54 -999 ? MG MG D 302 >THR^C 2 103.03 43.13 -20.15 102.74 41.72 -18.56 102.88 42.42 -19.36 2 0 33.69 -999 ? MG MG C 302 >ASN^C 3 100.26 42.79 -23.94 100.99 44.40 -25.14 100.63 43.59 -24.54 2 0 29.15 -999 ? MG MG D 302 >ILE^C 4 97.33 39.55 -22.94 95.80 39.66 -23.34 96.56 39.61 -23.14 3 0 27.97 -999 ? MG MG D 302 >ILE^C 5 97.43 38.97 -17.17 98.71 38.70 -16.25 98.07 38.83 -16.71 3 0 27.99 -999 ? MG MG C 302 >LYS^C 6 94.42 35.68 -18.56 92.21 32.03 -23.05 93.31 33.85 -20.80 2 0 25.73 -999 ? MG MG C 302 >ILE^C 7 92.64 34.60 -14.15 93.68 34.58 -13.02 93.16 34.59 -13.59 3 0 20.89 -999 ? MG MG C 302 >ARG^C 8 91.42 27.61 -18.53 88.82 26.28 -19.38 90.12 26.94 -18.96 2 0 20.00 -999 ? MG MG C 302 >ALA^C 9 89.05 28.81 -13.58 88.16 29.64 -12.74 88.61 29.22 -13.16 2 0 15.00 -999 ? MG MG C 302 >SER^C 10 87.65 25.37 -14.15 87.84 23.42 -15.55 87.75 24.40 -14.85 2 0 16.50 -999 ? MG MG C 302 >VAL^C 11 85.40 23.13 -12.11 84.18 23.96 -10.60 84.79 23.54 -11.36 3 0 11.37 -999 ? MG MG C 302 >PHE^C 12 87.42 18.93 -13.86 90.00 18.25 -12.97 88.71 18.59 -13.42 3 0 16.92 -999 ? MG MG C 302 >ILE^C 13 82.77 15.28 -12.13 81.64 15.09 -11.70 82.20 15.19 -11.91 3 0 14.65 -999 ? MG MG C 302 >PRO^C 14 87.88 14.02 -10.94 86.61 14.05 -12.81 87.25 14.04 -11.87 3 0 17.53 -999 ? MG MG C 301 >MET?C 15 85.12 10.40 -13.40 84.86 11.22 -9.89 84.99 10.81 -11.64 2 0 17.16 -999 ? MG MG C 301 >SER^C 16 82.88 9.31 -16.30 84.27 7.80 -17.58 83.58 8.56 -16.94 2 0 24.15 -999 ? MG MG C 302 >TRP^C 17 79.70 6.66 -16.37 76.53 8.49 -17.82 78.11 7.57 -17.10 3 0 23.10 -999 ? MG MG C 302 >THR^C 18 79.00 10.43 -10.53 77.64 12.10 -10.65 78.32 11.26 -10.59 2 0 15.72 -999 ? MG MG C 302 >GLU^C 19 80.46 7.67 -6.81 81.43 5.97 -5.99 80.94 6.82 -6.40 2 0 19.08 -999 ? MG MG C 301 >ALA^C 20 75.03 5.90 -8.29 74.89 4.47 -8.69 74.96 5.19 -8.49 2 0 22.09 -999 ? MG MG C 301 >LYS^C 21 72.10 6.87 -6.14 72.84 12.21 -4.93 72.47 9.54 -5.54 2 0 14.49 -999 ? MG MG C 302 >MET?C 22 69.20 4.46 -5.84 68.56 0.30 -5.56 68.88 2.38 -5.70 2 0 24.00 -999 ? MG MG B 301 >ASP^C 23 65.24 6.82 -5.11 63.43 7.54 -4.15 64.33 7.18 -4.63 2 0 15.39 -999 ? MG MG B 301 >MET?C 24 63.60 2.78 -3.18 66.09 0.62 -2.94 64.85 1.70 -3.06 2 0 22.72 -999 ? MG MG B 301 >GLU^C 25 58.50 6.48 -3.59 57.94 8.54 -3.41 58.22 7.51 -3.50 2 0 12.27 -999 ? MG MG B 301 >THR^C 26 60.72 4.69 -7.37 61.99 6.20 -8.33 61.36 5.45 -7.85 2 0 15.45 -999 ? MG MG B 301 >GLY^C 27 63.15 1.80 -8.18 63.38 2.56 -8.31 63.26 2.18 -8.24 1 0 19.87 -999 ? MG MG B 301 >GLN^C 28 63.85 5.69 -10.54 63.10 6.76 -12.19 63.47 6.23 -11.36 2 0 16.28 -999 ? MG MG B 301 >VAL^C 29 69.29 3.97 -10.09 70.60 2.20 -9.84 69.95 3.08 -9.96 3 0 22.84 -999 ? MG MG B 301 >ILE^C 30 69.89 8.56 -10.66 68.92 9.55 -10.76 69.40 9.06 -10.71 3 0 18.64 -999 ? MG MG B 301 >GLN^C 31 75.42 6.53 -11.91 76.62 4.98 -12.81 76.02 5.76 -12.36 2 0 23.04 -999 ? MG MG C 302 >PHE^C 32 73.89 13.66 -12.38 71.29 14.19 -11.42 72.59 13.92 -11.90 3 0 15.72 -999 ? MG MG C 302 >GLU^C 33 78.39 11.67 -18.82 78.34 12.01 -20.91 78.36 11.84 -19.86 2 0 22.71 -999 ? MG MG C 302 >GLY^C 34 81.22 13.31 -15.34 80.98 13.29 -16.15 81.10 13.30 -15.74 1 0 18.00 -999 ? MG MG C 302 >ASP^C 35 84.40 16.53 -16.68 82.83 17.91 -16.28 83.62 17.22 -16.48 2 0 16.42 -999 ? MG MG C 302 >SER^C 36 86.07 12.19 -17.80 85.34 10.22 -18.98 85.71 11.20 -18.39 2 0 23.69 -999 ? MG MG C 302 >ARG^C 37 89.36 17.23 -17.57 89.29 20.20 -16.76 89.33 18.71 -17.16 2 0 19.01 -999 ? MG MG C 302 >GLU^C 38 93.66 12.78 -15.08 92.73 12.51 -13.19 93.20 12.64 -14.14 2 0 21.99 -999 ? MG MG C 301 >PHE^C 39 93.83 18.63 -11.96 92.54 18.49 -9.49 93.19 18.56 -10.73 3 0 18.26 -999 ? MG MG C 301 >THR^C 40 94.40 20.37 -17.61 93.73 19.75 -19.59 94.07 20.06 -18.60 2 0 24.02 -999 ? MG MG C 302 >PRO^C 41 96.79 23.62 -19.10 94.64 23.34 -18.54 95.71 23.48 -18.82 3 0 24.26 -999 ? MG MG C 302 >HIS^C 42 95.93 22.96 -23.11 97.92 23.62 -23.02 96.93 23.29 -23.06 3 0 28.09 -999 ? MG MG C 302 >ALA^C 43 89.94 22.31 -21.67 89.53 21.88 -20.28 89.73 22.09 -20.98 2 0 21.49 -999 ? MG MG C 302 >VAL^C 44 88.23 25.46 -22.96 89.26 27.37 -22.88 88.75 26.42 -22.92 3 0 22.99 -999 ? MG MG C 302 >ASN^C 45 85.43 25.82 -26.31 85.43 27.91 -25.97 85.43 26.86 -26.14 2 0 24.54 -999 ? MG MG C 302 >THR^C 46 85.56 21.34 -24.69 87.12 20.00 -24.12 86.34 20.67 -24.40 2 0 24.02 -999 ? MG MG C 302 >MET?C 47 82.38 20.92 -22.64 79.83 22.90 -23.36 81.11 21.91 -23.00 2 0 20.86 -999 ? MG MG C 302 >ARG^C 48 84.94 16.06 -21.53 85.81 13.55 -23.08 85.38 14.81 -22.30 2 0 25.02 -999 ? MG MG C 302 >SER^C 49 83.83 21.24 -17.13 85.75 22.50 -18.00 84.79 21.87 -17.56 2 0 17.53 -999 ? MG MG C 302 >ARG^C 50 80.61 19.03 -14.42 79.16 18.55 -17.10 79.88 18.79 -15.76 2 0 16.05 -999 ? MG MG C 302 >VAL^C 51 81.87 25.44 -14.84 81.15 26.76 -13.28 81.51 26.10 -14.06 3 0 11.91 -999 ? MG MG C 302 >GLU^C 52 84.27 26.98 -19.19 85.21 26.16 -20.96 84.74 26.57 -20.07 2 0 19.67 -999 ? MG MG C 302 >GLN^C 53 85.10 33.09 -15.04 84.28 33.88 -13.22 84.69 33.49 -14.13 2 0 14.81 -999 ? MG MG C 302 >GLU^C 54 88.91 31.25 -19.52 89.97 30.69 -21.29 89.44 30.97 -20.40 2 0 22.77 -999 ? MG MG C 302 >VAL^C 55 88.86 36.78 -17.07 88.40 37.87 -15.33 88.63 37.33 -16.20 3 0 20.86 -999 ? MG MG C 302 >VAL^C 56 91.33 38.54 -19.27 91.84 37.90 -21.25 91.58 38.22 -20.26 3 0 25.60 -999 ? MG MG C 302 >VAL^C 57 93.03 41.79 -18.34 94.13 41.98 -16.42 93.58 41.89 -17.38 3 0 26.99 -999 ? MG MG C 302 >ASP^C 58 93.40 43.81 -22.27 94.18 44.45 -24.11 93.79 44.13 -23.19 2 0 26.67 -999 ? MG MG D 302 >PHE^C 59 98.06 45.52 -18.00 97.73 44.36 -15.53 97.90 44.94 -16.77 3 0 31.23 -999 ? MG MG C 302 >TYR^C 60 97.75 47.69 -25.92 97.82 49.25 -28.26 97.79 48.47 -27.09 3 0 26.95 -999 ? MG MG D 302 >LYS^C 61 93.60 48.56 -24.05 90.39 44.71 -27.98 91.99 46.63 -26.01 2 0 21.91 -999 ? MG MG D 302 >GLN^C 62 93.29 50.60 -18.28 93.36 52.64 -17.54 93.32 51.62 -17.91 2 0 34.49 -999 ? MG MG C 302 >GLU^C 63 89.51 47.54 -22.35 87.55 48.20 -22.72 88.53 47.87 -22.54 2 0 27.26 -999 ? MG MG D 302 >VAL^C 64 88.94 43.55 -18.33 88.89 43.01 -16.24 88.91 43.28 -17.28 3 0 25.41 -999 ? MG MG C 302 >PHE^C 65 87.79 41.78 -22.56 88.44 44.04 -24.09 88.11 42.91 -23.32 3 0 25.41 -999 ? MG MG D 302 >SER^C 66 85.39 37.79 -19.17 83.53 38.71 -18.09 84.46 38.25 -18.63 2 0 20.91 -999 ? MG MG C 302 >TYR^C 67 84.52 32.45 -21.76 83.69 29.84 -22.37 84.11 31.15 -22.07 3 0 21.03 -999 ? MG MG C 302 >ALA^C 68 81.71 32.23 -18.56 80.89 32.99 -17.52 81.30 32.61 -18.04 2 0 16.73 -999 ? MG MG C 302 >ASN^C 69 80.86 28.32 -20.51 79.46 27.66 -21.93 80.16 27.99 -21.22 2 0 19.30 -999 ? MG MG C 302 >THR^C 70 78.63 25.77 -17.76 76.70 26.55 -17.21 77.67 26.16 -17.49 2 0 14.45 -999 ? MG MG C 302 >GLY^C 71 78.74 22.16 -18.87 78.10 22.58 -18.62 78.42 22.37 -18.74 1 0 16.48 -999 ? MG MG C 302 >ILE^C 72 75.90 19.56 -21.75 75.62 19.84 -22.64 75.76 19.70 -22.20 3 0 20.38 -999 ? MG MG C 302 >THR^C 73 74.44 18.04 -17.45 73.99 18.64 -15.48 74.21 18.34 -16.47 2 0 14.95 -999 ? MG MG C 302 >THR^C 74 73.35 14.53 -18.47 73.89 13.78 -20.47 73.62 14.15 -19.47 2 0 21.64 -999 ? MG MG C 302 >GLU^C 75 69.49 12.18 -14.30 67.44 12.65 -13.83 68.47 12.42 -14.07 2 0 16.14 -999 ? MG MG B 301 >LYS^C 76 71.11 8.63 -16.76 75.44 5.17 -16.80 73.28 6.90 -16.78 2 0 24.95 -999 ? MG MG C 302 >VAL^C 77 68.24 6.87 -15.11 66.49 7.98 -14.47 67.37 7.42 -14.79 3 0 19.30 -999 ? MG MG B 301 >ILE^C 78 69.06 2.16 -14.52 70.03 1.13 -14.61 69.54 1.64 -14.57 3 0 24.60 -999 ? MG MG B 301 >SER^C 79 64.38 1.95 -14.66 62.69 3.45 -15.45 63.53 2.70 -15.05 2 0 19.92 -999 ? MG MG B 301 >PRO^C 80 61.88 0.35 -11.53 63.27 -0.47 -13.04 62.58 -0.06 -12.29 3 0 21.89 -999 ? MG MG B 301 >ASP^C 81 60.68 -2.08 -16.91 61.02 -0.17 -17.89 60.85 -1.13 -17.40 2 0 23.42 -999 ? MG MG B 301 >GLY^C 82 65.53 -2.15 -17.30 65.04 -1.60 -17.50 65.29 -1.87 -17.40 1 0 26.42 -999 ? MG MG B 301 >SER^C 83 65.19 0.76 -19.73 62.87 1.43 -19.33 64.03 1.10 -19.53 2 0 23.40 -999 ? MG MG B 301 >VAL^C 84 67.88 3.44 -19.60 69.83 2.65 -20.37 68.86 3.05 -19.99 3 0 25.39 -999 ? MG MG B 301 >ASN^C 85 65.37 7.26 -19.82 63.94 6.11 -20.94 64.65 6.69 -20.38 2 0 21.44 -999 ? MG MG B 301 >LYS^C 86 69.22 9.88 -20.56 74.70 7.02 -22.55 71.96 8.45 -21.55 2 0 27.34 -999 ? MG MG C 302 >ARG^C 87 64.80 14.21 -18.13 65.25 15.52 -15.36 65.03 14.87 -16.74 2 0 14.11 -999 ? MG MG B 301 >THR^C 88 69.96 16.71 -20.56 70.75 16.33 -22.54 70.36 16.52 -21.55 2 0 22.58 -999 ? MG MG B 301 >GLY^C 89 69.98 20.32 -19.31 70.77 19.99 -19.37 70.38 20.16 -19.34 1 0 18.96 -999 ? MG MG C 302 >LYS^C 90 72.37 23.25 -18.94 76.11 26.52 -20.97 74.24 24.89 -19.96 2 0 18.24 -999 ? MG MG C 302 >ALA^C 91 72.87 25.42 -15.88 73.94 25.20 -14.87 73.41 25.31 -15.37 2 0 12.61 -999 ? MG MG C 302 >SER^C 92 72.40 29.17 -16.07 71.43 31.32 -15.46 71.92 30.25 -15.77 2 0 15.15 -999 ? MG MG C 302 >THR^C 93 75.66 31.10 -16.50 76.28 30.99 -18.61 75.97 31.04 -17.56 2 0 16.71 -999 ? MG MG C 302 >GLU^C 94 71.81 35.42 -14.68 69.88 35.53 -13.78 70.85 35.47 -14.23 2 0 16.62 -999 ? MG MG C 302 >ASN^C 95 75.34 33.15 -10.39 73.27 33.38 -10.21 74.30 33.26 -10.30 2 0 11.50 -999 ? MG MG C 302 >ILE^C 96 79.64 32.18 -14.03 80.10 30.95 -14.40 79.87 31.57 -14.21 3 0 13.01 -999 ? MG MG C 302 >VAL^C 97 80.64 36.81 -13.09 78.89 37.47 -11.89 79.77 37.14 -12.49 3 0 15.12 -999 ? MG MG C 302 >CYH^C 98 83.46 39.21 -12.87 85.90 40.15 -13.80 84.68 39.68 -13.33 2 0 19.94 -999 ? MG MG C 302 >THR^C 99 82.73 42.15 -10.54 81.14 41.14 -9.39 81.93 41.64 -9.96 2 0 17.13 -999 ? MG MG C 302 >ASP^C 100 84.40 44.48 -7.24 82.54 44.18 -6.18 83.47 44.33 -6.71 2 0 19.40 -999 ? MG MG C 302 >ILE^C 101 86.48 45.85 -12.82 86.48 45.28 -13.93 86.48 45.57 -13.38 3 0 24.17 -999 ? MG MG C 302 >VAL^C 102 88.82 48.77 -9.96 88.46 49.65 -8.01 88.64 49.21 -8.98 3 0 26.67 -999 ? MG MG C 302 >TRP^C 103 90.16 49.24 -14.37 93.26 47.67 -16.22 91.71 48.45 -15.29 3 0 29.51 -999 ? MG MG C 302 >ASN^C 104 95.09 52.36 -8.91 95.46 50.61 -7.90 95.28 51.48 -8.40 2 0 31.05 -999 ? MG MG C 302 >SER^C 105 98.18 53.31 -11.48 99.44 54.08 -9.59 98.81 53.70 -10.53 2 0 36.42 -999 ? MG MG C 302 >GLY^C 106 99.43 49.96 -10.19 98.80 49.92 -10.69 99.12 49.94 -10.44 1 0 33.43 -999 ? MG MG C 302 >GLY^C 107 97.15 47.44 -11.88 96.68 48.06 -11.57 96.91 47.75 -11.72 1 0 30.59 -999 ? MG MG C 302 >VAL^C 108 93.61 46.17 -11.54 92.36 45.26 -13.13 92.98 45.71 -12.33 3 0 26.95 -999 ? MG MG C 302 >GLN^C 109 93.04 45.04 -6.87 93.12 45.16 -4.74 93.08 45.10 -5.81 2 0 24.94 -999 ? MG MG C 302 >PHE^C 110 89.08 41.33 -11.45 90.83 39.43 -12.52 89.96 40.38 -11.99 3 0 21.25 -999 ? MG MG C 302 >LYS^C 111 86.36 39.56 -8.06 84.36 40.84 -3.15 85.36 40.20 -5.61 2 0 16.56 -999 ? MG MG C 302 >MET?C 112 85.54 36.35 -9.87 88.95 34.88 -11.98 87.25 35.62 -10.92 2 0 17.22 -999 ? MG MG C 302 >SER^C 113 82.58 34.46 -8.42 81.10 36.27 -7.78 81.84 35.36 -8.10 2 0 12.16 -999 ? MG MG C 302 >ALA^C 114 80.78 31.40 -9.72 81.74 30.48 -10.49 81.26 30.94 -10.11 2 0 9.93 -999 ? MG MG C 302 >SER^C 115 77.67 29.66 -8.53 76.02 29.92 -6.77 76.84 29.79 -7.65 2 0 5.99 -999 ? MG MG C 302 >ALA^C 116 75.92 26.98 -10.66 76.76 26.56 -11.82 76.34 26.77 -11.24 2 0 9.08 -999 ? MG MG C 302 >SER^C 117 72.96 24.67 -9.95 71.40 26.26 -9.18 72.18 25.46 -9.57 2 0 8.92 -999 ? MG MG C 302 >ASN^C 118 72.64 19.83 -10.69 72.07 18.17 -11.94 72.35 19.00 -11.32 2 0 13.08 -999 ? MG MG C 302 >PRO^C 119 70.85 21.90 -15.48 70.06 21.91 -13.40 70.45 21.90 -14.44 3 0 14.18 -999 ? MG MG C 302 >LEU^C 120 68.69 17.40 -14.39 68.75 17.12 -16.54 68.72 17.26 -15.46 3 0 16.62 -999 ? MG MG B 301 >ASN^C 121 69.55 17.44 -9.40 69.18 16.30 -7.63 69.37 16.87 -8.51 2 0 13.53 -999 ? MG MG C 302 >VAL^C 122 66.23 20.18 -7.37 64.15 20.82 -7.67 65.19 20.50 -7.52 3 0 10.15 -999 ? MG MG B 302 >TYR^C 123 65.55 16.66 -3.72 62.85 15.86 -3.85 64.20 16.26 -3.79 3 0 10.31 -999 ? MG MG B 302 >ALA^C 124 70.87 19.73 -4.58 71.66 18.98 -5.68 71.27 19.36 -5.13 2 0 9.43 -999 ? MG MG C 302 >PRO^C 125 73.10 21.68 -1.76 72.63 22.22 -3.90 72.86 21.95 -2.83 3 0 6.06 -999 ? MG MG C 302 >PRO^C 126 74.33 26.71 -5.04 74.81 24.60 -5.60 74.57 25.65 -5.32 3 0 -3.94 -999 ? MG MG C 302s >VAL^C 127 79.00 24.59 -6.57 80.24 23.96 -8.24 79.62 24.28 -7.40 3 0 5.21 -999 ? MG MG C 302 >ASP^C 128 80.05 28.39 -4.25 77.97 28.60 -4.21 79.01 28.49 -4.23 2 0 -3.22 -999 ? MG MG C 302s >TYR^C 129 84.95 29.43 -7.96 85.04 30.16 -10.69 85.00 29.80 -9.33 3 0 10.65 -999 ? MG MG C 302 >VAL^C 130 85.07 33.19 -5.25 83.98 34.44 -3.79 84.52 33.82 -4.52 3 0 10.78 -999 ? MG MG C 302 >LEU^C 131 89.30 34.23 -7.37 90.05 32.20 -7.57 89.67 33.21 -7.47 3 0 14.94 -999 ? MG MG C 302 >ASN^C 132 89.66 38.54 -3.77 87.74 38.77 -2.97 88.70 38.66 -3.37 2 0 16.52 -999 ? MG MG C 302 >VAL^C 133 92.34 38.83 -7.63 92.08 37.98 -9.68 92.21 38.40 -8.66 3 0 20.20 -999 ? MG MG C 302 >CYH^C 134 94.82 41.56 -7.94 96.69 43.34 -6.91 95.76 42.45 -7.43 2 0 26.29 -999 ? MG MG C 302 >VAL^C 135 96.75 41.75 -11.20 96.23 40.76 -13.07 96.49 41.26 -12.14 3 0 26.16 -999 ? MG MG C 302 >LYS^C 136 99.75 44.04 -11.38 100.98 45.13 -6.77 100.36 44.58 -9.07 2 0 30.63 -999 ? MG MG C 302 >LYS^C 137 101.12 45.96 -14.37 98.71 51.44 -14.96 99.92 48.70 -14.67 2 0 35.41 -999 ? MG MG C 302 >ASP^C 138 105.43 43.97 -13.30 104.85 43.08 -11.43 105.14 43.53 -12.37 2 0 33.43 -999 ? MG MG C 302 >GLY^C 139 102.42 40.63 -14.81 102.41 40.87 -14.05 102.42 40.75 -14.43 1 0 31.33 -999 ? MG MG C 302 >SER^C 140 102.22 39.34 -11.26 103.20 41.01 -9.93 102.71 40.17 -10.59 2 0 30.64 -999 ? MG MG C 302 >ILE^C 141 98.15 37.36 -10.26 97.90 36.32 -11.20 98.03 36.84 -10.73 3 0 24.56 -999 ? MG MG C 302 >ASP^C 142 97.94 39.27 -5.03 98.08 38.70 -2.97 98.01 38.99 -4.00 2 0 23.76 -999 ? MG MG C 301 >VAL^C 143 94.76 35.65 -5.55 94.30 34.33 -7.20 94.53 34.99 -6.38 3 0 19.61 -999 ? MG MG C 302 >GLN^C 144 92.57 37.16 -1.30 94.53 37.81 -1.71 93.55 37.49 -1.51 2 0 20.37 -999 ? MG MG C 301 >GLY^C 145 90.12 32.13 -3.16 90.38 32.11 -2.40 90.25 32.12 -2.78 1 0 13.72 -999 ? MG MG C 301 >GLU^C 146 87.01 31.93 0.25 85.57 32.56 1.72 86.29 32.24 0.98 2 0 10.46 -999 ? MG MG C 301 >HIS^C 147 87.61 25.71 -3.59 89.22 24.50 -2.99 88.42 25.10 -3.29 3 0 9.44 -999 ? MG MG C 301 >ASP^C 148 81.96 23.83 -2.68 80.24 25.11 -2.27 81.10 24.47 -2.48 2 0 2.75 -999 ? MG MG C 302s >GLY^C 149 85.09 20.92 -1.20 84.51 20.95 -1.73 84.80 20.94 -1.46 1 0 6.13 -999 ? MG MG C 301 >PHE^C 150 82.11 17.28 -4.80 81.16 15.47 -6.75 81.64 16.37 -5.77 3 0 10.02 -999 ? MG MG C 301 >PRO^C 151 82.63 19.32 -8.93 83.78 19.03 -7.05 83.21 19.18 -7.99 3 0 10.04 -999 ? MG MG C 302 >CYH^C 152 87.66 19.43 -8.58 88.77 17.04 -8.78 88.21 18.24 -8.68 2 0 14.61 -999 ? MG MG C 301 >PHE^C 153 87.15 23.83 -7.29 84.55 23.79 -6.26 85.85 23.81 -6.78 3 0 9.34 -999 ? MG MG C 302 >GLU^C 154 91.15 23.27 -13.33 91.61 21.91 -14.95 91.38 22.59 -14.14 2 0 18.91 -999 ? MG MG C 302 >PHE^C 155 91.63 28.51 -9.66 89.28 28.13 -8.17 90.45 28.32 -8.91 3 0 14.45 -999 ? MG MG C 302 >TYR^C 156 95.64 26.50 -15.14 95.25 23.76 -14.77 95.44 25.13 -14.95 3 0 21.58 -999 ? MG MG C 302 >LYS^C 157 97.55 32.04 -15.10 101.49 36.24 -13.39 99.52 34.14 -14.24 2 0 28.15 -999 ? MG MG C 302 >GLN^C 158 98.32 32.23 -21.13 97.36 30.85 -22.41 97.84 31.54 -21.77 2 0 28.28 -999 ? MG MG C 302 >VAL^C 159 100.61 35.95 -19.75 102.23 36.77 -18.52 101.42 36.36 -19.13 3 0 30.76 -999 ? MG MG C 302 >ASP^C 160 102.50 38.00 -23.28 102.43 39.97 -22.46 102.47 38.98 -22.87 2 0 31.63 -999 ? MG MG D 302 >PHE^C 161 98.98 35.62 -26.76 97.40 37.84 -27.44 98.19 36.73 -27.10 3 0 25.47 -999 ? MG MG D 302 >GLY^C 162 102.73 32.19 -23.18 101.94 32.02 -23.12 102.34 32.11 -23.15 1 0 31.91 -999 ? MG MG D 302 >PRO^C 163 104.72 29.49 -20.64 102.77 29.41 -21.74 103.74 29.45 -21.19 3 0 32.16 -999 ? MG MG C 302 >PHE^C 164 97.62 27.66 -19.56 95.28 28.38 -20.99 96.45 28.02 -20.28 3 0 25.79 -999 ? MG MG C 302 >GLU^C 165 103.18 29.99 -15.18 103.57 32.09 -14.86 103.38 31.04 -15.02 2 0 29.32 -999 ? MG MG C 302 >LYS^C 166 99.24 26.71 -12.25 100.23 21.90 -8.99 99.74 24.30 -10.62 2 0 22.53 -999 ? MG MG C 301 >ILE^C 167 96.61 29.94 -9.76 96.06 31.16 -9.93 96.33 30.55 -9.84 3 0 20.57 -999 ? MG MG C 302 >TYR^C 168 94.44 26.43 -5.44 92.97 25.09 -3.55 93.71 25.76 -4.50 3 0 14.82 -999 ? MG MG C 301 >THR^C 169 94.19 23.02 -7.83 95.56 21.86 -9.07 94.87 22.44 -8.45 2 0 18.51 -999 ? MG MG C 301 >HIS^C 170 89.96 21.05 -3.85 88.74 19.88 -2.61 89.35 20.47 -3.23 3 0 10.68 -999 ? MG MG C 301 >ASP^C 171 92.57 16.68 -6.24 92.24 14.74 -7.03 92.41 15.71 -6.63 2 0 17.08 -999 ? MG MG C 301 >PHE^C 172 86.45 15.28 -5.05 85.50 13.59 -7.08 85.97 14.44 -6.06 3 0 13.00 -999 ? MG MG C 301 >ARG^C 173 89.11 11.40 -7.73 91.21 12.63 -9.73 90.16 12.01 -8.73 2 0 18.96 -999 ? MG MG C 301 >GLU^C 174 95.09 14.29 -3.63 95.25 12.23 -4.17 95.17 13.26 -3.90 2 0 19.72 -999 ? MG MG C 301 >THR^C 175 91.24 15.45 0.47 90.99 17.39 -0.47 91.11 16.42 0.00 2 0 12.73 -999 ? MG MG C 301 >GLY^C 176 88.42 12.91 1.06 88.29 13.68 0.87 88.35 13.29 0.97 1 0 13.69 -999 ? MG MG C 301 >ASP^C 177 85.60 16.42 -0.31 86.51 17.71 1.09 86.06 17.06 0.39 2 0 8.84 -999 ? MG MG C 301 >THR^C 178 81.90 14.29 -1.08 80.31 13.94 0.39 81.10 14.11 -0.35 2 0 9.80 -999 ? MG MG C 301 >ALA^C 179 78.98 15.73 -3.05 77.99 14.95 -3.93 78.49 15.34 -3.49 2 0 10.20 -999 ? MG MG C 301 >ALA^C 180 77.97 16.90 0.41 78.13 16.09 1.70 78.05 16.50 1.05 2 0 7.92 -999 ? MG MG C 301 >ALA^C 181 80.65 19.58 0.32 82.11 19.32 0.03 81.38 19.45 0.18 2 0 -4.94 -999 ? MG MG C 301s >LEU^C 182 77.67 20.58 -3.32 78.49 20.15 -5.31 78.08 20.37 -4.32 3 0 5.58 -999 ? MG MG C 302s >GLY^C 183 76.27 22.45 0.43 77.06 22.50 0.60 76.67 22.47 0.51 1 0 -4.00 -999 ? MG MG C 301s >GLY^C 184 76.47 24.88 3.34 76.71 25.04 2.53 76.59 24.96 2.93 1 0 4.50 -999 ? MG MG C 301 >ASN^C 185 80.06 27.66 4.46 78.78 28.93 5.51 79.42 28.30 4.99 2 0 -7.11 -999 ? MG MG C 301s >MET?C 186 82.61 27.50 1.06 82.86 30.18 -2.19 82.74 28.84 -0.56 2 0 6.92 -999 ? MG MG C 302 >ASP^C 187 84.01 23.73 3.39 83.47 22.54 1.59 83.74 23.13 2.49 2 0 -3.72 -999 ? MG MG C 301s >TYR^C 188 88.74 23.30 0.93 88.91 20.61 1.57 88.83 21.95 1.25 3 0 8.98 -999 ? MG MG C 301 >SER^C 189 90.33 28.79 1.19 90.26 29.61 3.45 90.30 29.20 2.32 2 0 12.09 -999 ? MG MG C 301 >PHE^C 190 93.44 29.01 -2.85 92.36 29.94 -5.20 92.90 29.48 -4.03 3 0 14.91 -999 ? MG MG C 301 >THR^C 191 96.18 32.27 -1.09 96.82 33.98 0.08 96.50 33.13 -0.50 2 0 19.69 -999 ? MG MG C 301 >LYS^C 192 98.71 32.33 -3.93 102.89 29.25 -5.78 100.80 30.79 -4.86 2 0 24.43 -999 ? MG MG C 301 >ARG^C 193 102.52 36.87 -2.60 102.78 39.94 -3.05 102.65 38.41 -2.83 2 0 28.20 -999 ? MG MG C 301 >LEU^C 194 102.87 33.22 -9.43 101.26 32.08 -10.25 102.06 32.65 -9.84 3 0 26.05 -999 ? MG MG C 301 >MET?D 1 91.52 5.56 -28.59 88.13 6.69 -27.16 89.83 6.13 -27.88 2 0 32.64 -999 ? MG MG C 302 >THR^D 2 91.82 9.34 -29.18 91.80 10.46 -31.03 91.81 9.90 -30.10 2 0 33.99 -999 ? MG MG D 302 >ASN^D 3 89.53 11.43 -25.56 88.66 9.94 -24.30 89.09 10.69 -24.93 2 0 28.85 -999 ? MG MG C 302 >ILE^D 4 88.19 15.57 -26.88 88.32 16.65 -25.93 88.25 16.11 -26.41 3 0 27.61 -999 ? MG MG C 302 >ILE^D 5 90.32 16.10 -32.21 90.23 15.98 -33.22 90.27 16.04 -32.71 3 0 28.18 -999 ? MG MG D 302 >LYS^D 6 89.78 20.68 -31.57 90.15 24.89 -27.02 89.96 22.78 -29.30 2 0 25.98 -999 ? MG MG D 302 >ILE^D 7 89.03 22.73 -35.87 89.94 22.01 -36.86 89.49 22.37 -36.36 3 0 20.93 -999 ? MG MG D 302 >ARG^D 8 92.22 28.83 -31.23 90.93 31.55 -30.54 91.57 30.19 -30.88 2 0 20.22 -999 ? MG MG D 302 >ALA^D 9 89.67 29.50 -36.34 88.55 29.40 -37.31 89.11 29.45 -36.82 2 0 15.02 -999 ? MG MG D 302 >SER^D 10 90.76 33.07 -35.81 92.04 34.36 -34.16 91.40 33.71 -34.98 2 0 16.71 -999 ? MG MG D 302 >VAL^D 11 90.44 36.14 -37.96 89.04 36.20 -39.60 89.74 36.17 -38.78 3 0 11.28 -999 ? MG MG D 302 >PHE^D 12 94.68 38.11 -36.05 97.16 37.10 -36.83 95.92 37.61 -36.44 3 0 16.78 -999 ? MG MG D 302 >ILE^D 13 93.31 43.69 -37.92 92.66 44.68 -38.49 92.98 44.18 -38.20 3 0 14.46 -999 ? MG MG D 302 >PRO^D 14 98.12 42.03 -39.07 97.14 42.39 -37.11 97.63 42.21 -38.09 3 0 17.34 -999 ? MG MG D 302 >MET?D 15 98.03 46.26 -36.51 97.38 45.96 -40.23 97.71 46.11 -38.37 2 0 17.13 -999 ? MG MG D 301 >SER^D 16 96.73 48.43 -33.75 98.58 48.68 -32.31 97.65 48.55 -33.03 2 0 23.71 -999 ? MG MG D 302 >TRP^D 17 95.68 52.30 -33.46 91.97 52.85 -32.32 93.82 52.57 -32.89 3 0 22.77 -999 ? MG MG D 302 >THR^D 18 93.52 49.91 -39.68 91.41 49.57 -39.76 92.46 49.74 -39.72 2 0 15.54 -999 ? MG MG D 302 >GLU^D 19 96.86 51.08 -43.04 98.60 51.44 -44.26 97.73 51.26 -43.65 2 0 18.95 -999 ? MG MG D 301 >ALA^D 20 93.37 55.91 -42.10 94.17 57.20 -41.87 93.77 56.55 -41.98 2 0 21.98 -999 ? MG MG D 302 >LYS^D 21 90.57 56.85 -44.52 87.39 52.68 -46.00 88.98 54.76 -45.26 2 0 14.47 -999 ? MG MG D 302 >MET?D 22 90.09 60.52 -45.13 91.80 64.13 -45.82 90.94 62.32 -45.48 2 0 23.05 -999 ? MG MG E 301 >ASP^D 23 85.70 62.10 -45.60 84.07 62.13 -46.93 84.88 62.11 -46.27 2 0 15.37 -999 ? MG MG E 301 >MET?D 24 87.50 65.74 -47.88 90.90 65.24 -49.18 89.20 65.49 -48.53 2 0 23.04 -999 ? MG MG E 301 >GLU^D 25 81.26 66.22 -47.78 79.52 64.98 -48.06 80.39 65.60 -47.92 2 0 12.44 -999 ? MG MG E 301 >THR^D 26 83.76 66.31 -43.53 82.86 64.39 -43.13 83.31 65.35 -43.33 2 0 14.34 -999 ? MG MG E 301 >GLY^D 27 87.58 66.90 -43.17 87.20 66.21 -42.95 87.39 66.55 -43.06 1 0 19.64 -999 ? MG MG E 301 >GLN^D 28 85.51 64.12 -40.17 83.84 63.05 -39.41 84.67 63.58 -39.79 2 0 15.42 -999 ? MG MG E 301 >VAL^D 29 90.14 60.83 -40.60 92.30 60.78 -40.81 91.22 60.81 -40.70 3 0 22.08 -999 ? MG MG E 301 >ILE^D 30 87.29 56.95 -40.36 85.86 57.52 -39.91 86.57 57.24 -40.13 3 0 17.70 -999 ? MG MG E 301 >GLN^D 31 92.28 55.58 -37.94 94.36 55.52 -37.90 93.32 55.55 -37.92 2 0 22.20 -999 ? MG MG D 302 >PHE^D 32 87.15 50.70 -38.09 84.99 51.79 -39.44 86.07 51.25 -38.76 3 0 15.68 -999 ? MG MG D 302 >GLU^D 33 91.55 48.87 -31.66 91.12 48.92 -29.63 91.33 48.89 -30.65 2 0 22.23 -999 ? MG MG D 302 >GLY^D 34 93.02 46.29 -34.84 92.89 46.52 -34.02 92.96 46.40 -34.43 1 0 17.73 -999 ? MG MG D 302 >ASP^D 35 93.83 42.00 -33.14 91.74 41.83 -33.51 92.78 41.91 -33.33 2 0 16.80 -999 ? MG MG D 302 >SER^D 36 97.85 44.42 -32.20 96.60 46.20 -31.15 97.23 45.31 -31.67 2 0 22.42 -999 ? MG MG D 302 >ARG^D 37 96.81 38.21 -31.63 94.97 36.32 -33.06 95.89 37.26 -32.34 2 0 18.81 -999 ? MG MG D 302 >GLU^D 38 103.22 39.19 -34.75 102.77 39.81 -36.73 102.99 39.50 -35.74 2 0 21.83 -999 ? MG MG D 301 >PHE^D 39 99.82 34.37 -37.74 99.04 35.33 -40.24 99.43 34.85 -38.99 3 0 18.22 -999 ? MG MG D 301 >THR^D 40 99.14 32.63 -32.12 99.04 33.58 -30.18 99.09 33.10 -31.15 2 0 24.02 -999 ? MG MG D 302 >PRO^D 41 98.89 28.58 -30.55 97.45 30.21 -31.15 98.17 29.40 -30.85 3 0 24.26 -999 ? MG MG D 302 >HIS^D 42 98.45 29.90 -26.44 99.32 28.02 -26.13 98.89 28.96 -26.29 3 0 28.21 -999 ? MG MG D 302 >ALA^D 43 94.20 34.03 -28.30 94.29 34.60 -29.70 94.25 34.32 -29.00 2 0 21.51 -999 ? MG MG D 302 >VAL^D 44 90.88 32.60 -27.10 90.06 30.62 -26.95 90.47 31.61 -27.02 3 0 23.17 -999 ? MG MG D 302 >ASN^D 45 88.35 34.04 -23.87 86.82 32.62 -24.25 87.59 33.33 -24.06 2 0 24.33 -999 ? MG MG C 302 >THR^D 46 91.28 37.63 -25.27 93.05 36.72 -26.12 92.17 37.18 -25.69 2 0 23.86 -999 ? MG MG D 302 >MET?D 47 89.12 39.77 -27.55 85.96 39.92 -27.21 87.54 39.84 -27.38 2 0 20.96 -999 ? MG MG D 302 >ARG^D 48 94.06 41.76 -28.37 96.24 43.38 -26.96 95.15 42.57 -27.67 2 0 24.87 -999 ? MG MG D 302 >SER^D 49 90.26 38.73 -32.99 91.21 36.48 -32.65 90.74 37.61 -32.82 2 0 17.22 -999 ? MG MG D 302 >ARG^D 50 88.00 43.26 -36.30 88.86 43.23 -33.34 88.43 43.24 -34.82 2 0 16.15 -999 ? MG MG D 302 >VAL^D 51 86.07 36.61 -35.50 84.81 36.17 -37.23 85.44 36.39 -36.37 3 0 12.02 -999 ? MG MG D 302 >GLU^D 52 87.13 33.17 -30.97 88.40 33.70 -29.31 87.77 33.43 -30.14 2 0 19.94 -999 ? MG MG D 302 >GLN^D 53 83.68 28.79 -35.08 83.11 28.49 -37.14 83.39 28.64 -36.11 2 0 15.01 -999 ? MG MG D 302 >GLU^D 54 87.96 27.60 -30.52 89.07 27.55 -28.72 88.51 27.58 -29.62 2 0 22.96 -999 ? MG MG D 302 >VAL^D 55 84.67 23.33 -33.08 83.47 22.86 -34.79 84.07 23.10 -33.94 3 0 21.11 -999 ? MG MG D 302 >VAL^D 56 85.31 20.38 -30.80 85.92 20.73 -28.73 85.62 20.56 -29.76 3 0 25.88 -999 ? MG MG D 302 >VAL^D 57 84.62 16.81 -31.71 85.26 16.00 -33.66 84.94 16.41 -32.69 3 0 27.17 -999 ? MG MG D 302 >ASP^D 58 83.38 14.85 -27.71 84.09 14.12 -25.85 83.73 14.49 -26.78 2 0 26.59 -999 ? MG MG C 302 >PHE^D 59 86.17 10.70 -31.86 86.41 11.56 -34.53 86.29 11.13 -33.20 3 0 31.49 -999 ? MG MG D 302 >TYR^D 60 84.40 9.28 -23.74 83.45 7.90 -21.49 83.93 8.59 -22.62 3 0 26.93 -999 ? MG MG C 302 >LYS^D 61 80.64 11.23 -26.16 80.65 16.24 -22.36 80.64 13.73 -24.26 2 0 21.93 -999 ? MG MG C 302 >GLN^D 62 80.18 8.65 -30.13 80.18 7.15 -31.65 80.18 7.90 -30.89 2 0 34.39 -999 ? MG MG C 302 >GLU^D 63 77.46 14.75 -28.07 75.93 16.12 -28.66 76.69 15.43 -28.36 2 0 27.62 -999 ? MG MG C 302 >VAL^D 64 80.20 18.02 -31.67 80.73 18.10 -33.74 80.46 18.06 -32.70 3 0 26.01 -999 ? MG MG D 302 >PHE^D 65 80.36 20.18 -27.62 79.13 18.18 -26.16 79.74 19.18 -26.89 3 0 25.04 -999 ? MG MG C 302 >SER^D 66 81.04 24.82 -31.14 78.93 25.00 -32.28 79.98 24.91 -31.71 2 0 21.51 -999 ? MG MG D 302 >TYR^D 67 83.62 29.64 -28.35 84.67 32.17 -27.90 84.14 30.91 -28.13 3 0 21.42 -999 ? MG MG D 302 >ALA^D 68 81.75 31.31 -31.67 80.69 31.23 -32.69 81.22 31.27 -32.18 2 0 17.40 -999 ? MG MG D 302 >ASN^D 69 83.26 34.94 -29.76 82.66 36.44 -28.44 82.96 35.69 -29.10 2 0 19.77 -999 ? MG MG D 302 >THR^D 70 83.38 38.35 -32.45 81.51 39.04 -33.23 82.45 38.70 -32.84 2 0 14.99 -999 ? MG MG D 302 >GLY^D 71 85.63 41.02 -31.04 84.94 41.10 -31.48 85.29 41.06 -31.26 1 0 17.24 -999 ? MG MG D 302 >ILE^D 72 84.73 45.26 -29.00 84.39 45.51 -27.86 84.56 45.38 -28.43 3 0 20.69 -999 ? MG MG D 302 >THR^D 73 84.65 47.16 -33.26 83.69 47.10 -35.24 84.17 47.13 -34.25 2 0 15.26 -999 ? MG MG D 302 >THR^D 74 86.03 50.57 -32.19 86.96 50.83 -30.24 86.49 50.70 -31.22 2 0 21.71 -999 ? MG MG D 302 >GLU^D 75 84.53 54.81 -36.40 82.75 56.01 -36.42 83.64 55.41 -36.41 2 0 15.53 -999 ? MG MG E 301 >LYS^D 76 88.18 56.35 -34.05 93.80 56.17 -32.93 90.99 56.26 -33.49 2 0 25.08 -999 ? MG MG D 302 >VAL^D 77 87.45 59.70 -35.75 85.53 60.01 -36.78 86.49 59.85 -36.26 3 0 18.56 -999 ? MG MG E 301 >ILE^D 78 91.46 62.44 -36.23 92.38 62.02 -36.07 91.92 62.23 -36.15 3 0 23.85 -999 ? MG MG E 301 >SER^D 79 88.38 65.91 -36.56 86.13 65.62 -35.70 87.26 65.76 -36.13 2 0 19.41 -999 ? MG MG E 301 >PRO^D 80 87.65 68.97 -39.60 89.22 68.45 -38.16 88.44 68.71 -38.88 3 0 21.62 -999 ? MG MG E 301 >ASP^D 81 89.25 71.36 -34.47 87.72 70.06 -33.67 88.49 70.71 -34.07 2 0 23.25 -999 ? MG MG E 301 >GLY^D 82 92.26 67.62 -33.70 91.51 67.68 -33.55 91.88 67.65 -33.62 1 0 26.13 -999 ? MG MG E 301 >SER^D 83 89.47 66.32 -31.33 87.79 67.80 -32.19 88.63 67.06 -31.76 2 0 23.07 -999 ? MG MG E 301 >VAL^D 84 89.24 62.54 -31.31 91.02 61.37 -30.71 90.13 61.95 -31.01 3 0 24.30 -999 ? MG MG E 301 >ASN^D 85 84.79 61.03 -31.29 84.23 62.62 -30.02 84.51 61.83 -30.65 2 0 20.22 -999 ? MG MG E 301 >LYS^D 86 85.54 56.79 -30.27 90.24 54.54 -28.62 87.89 55.67 -29.44 2 0 25.80 -999 ? MG MG D 302 >ARG^D 87 79.72 56.28 -33.10 79.15 54.81 -35.72 79.44 55.54 -34.41 2 0 13.34 -999 ? MG MG E 301 >THR^D 88 81.92 51.17 -30.12 82.55 50.45 -28.12 82.24 50.81 -29.12 2 0 22.15 -999 ? MG MG E 301 >GLY^D 89 79.91 48.18 -31.33 80.69 47.93 -31.18 80.30 48.06 -31.26 1 0 19.56 -999 ? MG MG D 302 >LYS^D 90 79.83 44.38 -31.44 80.32 39.55 -29.40 80.07 41.96 -30.42 2 0 18.98 -999 ? MG MG D 302 >ALA^D 91 79.15 42.27 -34.55 80.22 41.77 -35.47 79.68 42.02 -35.01 2 0 13.42 -999 ? MG MG D 302 >SER^D 92 76.41 39.72 -34.40 74.28 38.75 -34.89 75.34 39.24 -34.64 2 0 16.26 -999 ? MG MG D 302 >THR^D 93 77.48 36.07 -34.09 78.19 35.86 -32.06 77.84 35.97 -33.08 2 0 17.20 -999 ? MG MG D 302 >GLU^D 94 72.85 36.59 -35.79 71.78 37.87 -37.16 72.31 37.23 -36.47 2 0 16.28 -999 ? MG MG D 302 >ASN^D 95 76.36 34.77 -40.14 74.34 35.29 -40.63 75.35 35.03 -40.39 2 0 12.56 -999 ? MG MG D 302 >ILE^D 96 80.27 32.52 -36.34 81.29 33.14 -35.91 80.78 32.83 -36.12 3 0 13.67 -999 ? MG MG D 302 >VAL^D 97 78.03 28.42 -37.47 76.43 29.03 -38.84 77.23 28.72 -38.16 3 0 15.59 -999 ? MG MG D 302 >CYH^D 98 79.00 24.79 -37.47 80.25 22.66 -36.57 79.63 23.72 -37.02 2 0 20.13 -999 ? MG MG D 302 >THR^D 99 76.92 22.78 -39.80 75.83 24.08 -41.22 76.37 23.43 -40.51 2 0 18.09 -999 ? MG MG D 302 >ASP^D 100 76.41 19.73 -43.25 75.56 21.48 -44.12 75.99 20.60 -43.68 2 0 19.59 -999 ? MG MG D 302 >ILE^D 101 77.13 17.36 -37.58 78.21 17.93 -36.62 77.67 17.65 -37.10 3 0 24.60 -999 ? MG MG D 302 >VAL^D 102 77.64 13.77 -40.57 77.24 13.30 -42.66 77.44 13.53 -41.62 3 0 26.84 -999 ? MG MG D 302 >TRP^D 103 77.64 12.56 -35.88 81.02 12.20 -33.92 79.33 12.38 -34.90 3 0 29.85 -999 ? MG MG D 302 >ASN^D 104 80.93 7.65 -41.49 82.88 8.50 -41.33 81.91 8.08 -41.41 2 0 31.04 -999 ? MG MG D 302 >SER^D 105 82.05 4.42 -38.94 83.24 2.29 -39.23 82.65 3.35 -39.09 2 0 37.56 -999 ? MG MG D 302 >GLY^D 106 85.47 6.09 -38.97 84.90 6.64 -38.89 85.19 6.36 -38.93 1 0 33.98 -999 ? MG MG D 302 >GLY^D 107 84.80 9.65 -37.85 84.13 9.38 -38.26 84.47 9.51 -38.05 1 0 30.89 -999 ? MG MG D 302 >VAL^D 108 82.79 12.78 -38.53 82.49 14.23 -36.90 82.64 13.50 -37.72 3 0 27.35 -999 ? MG MG D 302 >GLN^D 109 83.24 14.27 -43.07 82.33 12.81 -44.32 82.78 13.54 -43.69 2 0 26.30 -999 ? MG MG D 302 >PHE^D 110 82.28 19.60 -38.58 84.73 19.89 -37.32 83.50 19.74 -37.95 3 0 21.56 -999 ? MG MG D 302 >LYS^D 111 81.21 22.69 -42.10 78.68 23.89 -46.57 79.95 23.29 -44.34 2 0 15.85 -999 ? MG MG D 302 >MET?D 112 82.50 25.77 -40.26 85.96 24.71 -37.92 84.23 25.24 -39.09 2 0 17.47 -999 ? MG MG D 302 >SER^D 113 81.10 28.95 -41.82 79.08 29.86 -42.84 80.09 29.41 -42.33 2 0 11.39 -999 ? MG MG D 302 >ALA^D 114 82.02 32.47 -40.60 83.33 32.76 -39.91 82.68 32.62 -40.25 2 0 10.14 -999 ? MG MG D 302 >SER^D 115 80.50 35.70 -41.83 78.94 36.81 -43.34 79.72 36.26 -42.59 2 0 7.08 -999 ? MG MG D 302 >ALA^D 116 80.74 38.94 -39.77 81.69 38.81 -38.65 81.21 38.88 -39.21 2 0 9.63 -999 ? MG MG D 302 >SER^D 117 79.93 42.54 -40.62 77.69 42.23 -41.47 78.81 42.38 -41.04 2 0 9.64 -999 ? MG MG D 302 >ASN^D 118 82.29 46.70 -39.94 83.03 48.22 -38.68 82.66 47.46 -39.31 2 0 13.31 -999 ? MG MG D 302 >PRO^D 119 79.79 46.26 -35.22 79.03 46.66 -37.29 79.41 46.46 -36.25 3 0 14.74 -999 ? MG MG D 302 >LEU^D 120 79.91 51.38 -37.00 80.73 51.53 -34.95 80.32 51.45 -35.97 3 0 15.56 -999 ? MG MG E 301 >ASN^D 121 80.38 49.72 -41.99 81.55 51.54 -42.09 80.97 50.63 -42.04 2 0 14.25 -999 ? MG MG E 302 >VAL^D 122 75.72 48.13 -41.73 73.66 48.25 -40.90 74.69 48.19 -41.31 3 0 11.17 -999 ? MG MG E 302 >TYR^D 123 74.61 49.90 -45.90 72.05 50.79 -45.27 73.33 50.35 -45.59 3 0 7.28 -999 ? MG MG E 302 >ALA^D 124 80.12 47.19 -45.47 81.16 47.80 -44.53 80.64 47.49 -45.00 2 0 10.03 -999 ? MG MG D 302 >PRO^D 125 83.01 44.92 -47.83 81.17 44.48 -46.59 82.09 44.70 -47.21 3 0 6.21 -999 ? MG MG D 302 >PRO^D 126 79.29 40.42 -44.88 81.33 41.33 -44.79 80.31 40.88 -44.83 3 0 -5.21 -999 ? MG MG D 302s >VAL^D 127 84.75 38.90 -43.58 86.13 39.10 -41.91 85.44 39.00 -42.75 3 0 5.53 -999 ? MG MG D 302 >ASP^D 128 83.33 35.45 -46.13 81.57 36.63 -46.10 82.45 36.04 -46.11 2 0 -3.70 -999 ? MG MG D 302s >TYR^D 129 86.45 31.36 -42.20 86.02 30.90 -39.46 86.23 31.13 -40.83 3 0 10.79 -999 ? MG MG D 302 >VAL^D 130 84.11 28.34 -44.88 82.85 28.34 -46.72 83.48 28.34 -45.80 3 0 10.70 -999 ? MG MG D 302 >LEU^D 131 86.71 25.11 -42.43 88.69 25.97 -42.33 87.70 25.54 -42.38 3 0 14.92 -999 ? MG MG D 302 >ASN^D 132 84.64 21.31 -46.24 83.02 22.38 -47.10 83.83 21.85 -46.67 2 0 16.46 -999 ? MG MG D 302 >VAL^D 133 86.55 19.46 -42.25 86.41 20.33 -40.25 86.48 19.90 -41.25 3 0 20.26 -999 ? MG MG D 302 >CYH^D 134 86.76 15.73 -41.96 86.80 13.27 -43.24 86.78 14.50 -42.60 2 0 26.15 -999 ? MG MG D 302 >VAL^D 135 87.97 14.31 -38.63 87.99 15.57 -36.87 87.98 14.94 -37.75 3 0 26.31 -999 ? MG MG D 302 >LYS^D 136 88.96 10.62 -38.53 90.77 6.00 -38.00 89.86 8.31 -38.27 2 0 34.99 -999 ? MG MG D 302 >LYS^D 137 88.48 8.58 -35.33 84.88 3.98 -33.96 86.68 6.28 -34.64 2 0 37.57 -999 ? MG MG D 302 >ASP^D 138 93.00 7.50 -35.79 93.88 8.48 -37.45 93.44 7.99 -36.62 2 0 33.64 -999 ? MG MG D 302 >GLY^D 139 93.01 12.21 -34.78 93.02 11.88 -35.52 93.02 12.04 -35.15 1 0 31.09 -999 ? MG MG D 302 >SER^D 140 93.76 12.87 -38.46 94.82 10.83 -39.17 94.29 11.85 -38.82 2 0 31.33 -999 ? MG MG D 302 >ILE^D 141 91.93 17.04 -39.34 92.43 18.01 -38.36 92.18 17.53 -38.85 3 0 24.62 -999 ? MG MG D 302 >ASP^D 142 90.90 15.58 -44.76 91.35 16.09 -46.79 91.13 15.83 -45.78 2 0 23.49 -999 ? MG MG D 301 >VAL^D 143 90.42 20.32 -44.16 90.59 21.63 -42.45 90.50 20.98 -43.31 3 0 19.60 -999 ? MG MG D 302 >GLN^D 144 89.60 20.24 -48.38 88.70 18.97 -49.74 89.15 19.60 -49.06 2 0 19.85 -999 ? MG MG D 301 >GLY^D 145 88.90 26.07 -46.90 89.21 25.93 -47.57 89.05 26.00 -47.23 1 0 13.51 -999 ? MG MG D 301 >GLU^D 146 87.24 28.82 -50.92 85.47 28.08 -51.67 86.36 28.45 -51.29 2 0 10.62 -999 ? MG MG D 301 >HIS^D 147 90.95 32.51 -46.42 92.98 32.42 -46.93 91.97 32.47 -46.68 3 0 9.43 -999 ? MG MG D 301 >ASP^D 148 87.78 37.50 -47.56 85.79 37.49 -48.28 86.79 37.49 -47.92 2 0 2.35 -999 ? MG MG D 302s >GLY^D 149 92.07 37.87 -48.88 91.62 38.12 -48.34 91.84 38.00 -48.61 1 0 6.12 -999 ? MG MG D 301 >PHE^D 150 91.92 42.74 -45.34 92.24 44.79 -43.44 92.08 43.77 -44.39 3 0 10.21 -999 ? MG MG D 301 >PRO^D 151 91.04 40.80 -41.33 92.19 40.22 -43.13 91.61 40.51 -42.23 3 0 9.84 -999 ? MG MG D 302 >CYH^D 152 94.69 37.43 -41.36 96.92 38.83 -40.94 95.81 38.13 -41.15 2 0 14.66 -999 ? MG MG D 301 >PHE^D 153 91.67 34.35 -42.71 89.76 36.10 -43.73 90.71 35.23 -43.22 3 0 9.11 -999 ? MG MG D 302 >GLU^D 154 94.87 32.52 -36.42 96.07 33.39 -34.88 95.47 32.96 -35.65 2 0 18.75 -999 ? MG MG D 302 >PHE^D 155 92.10 28.06 -40.17 90.44 29.86 -41.52 91.27 28.96 -40.85 3 0 14.27 -999 ? MG MG D 302 >TYR^D 156 96.25 27.10 -34.64 97.58 29.48 -35.03 96.92 28.29 -34.84 3 0 21.34 -999 ? MG MG D 302 >LYS^D 157 94.17 21.71 -34.34 96.11 15.89 -35.92 95.14 18.80 -35.13 2 0 28.67 -999 ? MG MG D 302 >GLN^D 158 95.08 21.18 -28.53 94.65 22.58 -26.99 94.86 21.88 -27.76 2 0 28.68 -999 ? MG MG D 302 >VAL^D 159 94.39 16.65 -30.09 95.18 14.76 -30.99 94.79 15.71 -30.54 3 0 30.97 -999 ? MG MG D 302 >ASP^D 160 94.15 13.98 -26.57 92.71 12.42 -26.99 93.43 13.20 -26.78 2 0 31.45 -999 ? MG MG C 302 >PHE^D 161 92.97 17.97 -22.91 90.24 17.44 -22.45 91.61 17.70 -22.68 3 0 25.58 -999 ? MG MG C 302 >GLY^D 162 98.12 18.21 -26.42 97.63 18.90 -26.49 97.87 18.56 -26.45 1 0 32.15 -999 ? MG MG C 302 >PRO^D 163 102.07 19.57 -27.80 99.96 20.32 -27.79 101.02 19.95 -27.80 3 0 32.56 -999 ? MG MG D 302 >PHE^D 164 97.06 25.02 -29.96 94.69 25.91 -28.78 95.88 25.47 -29.37 3 0 25.90 -999 ? MG MG D 302 >GLU^D 165 100.60 20.11 -34.27 100.38 17.96 -34.49 100.49 19.04 -34.38 2 0 29.85 -999 ? MG MG D 302 >LYS^D 166 99.23 24.85 -37.31 101.73 27.34 -42.07 100.48 26.10 -39.69 2 0 21.08 -999 ? MG MG D 301 >ILE^D 167 95.26 23.73 -39.94 94.10 23.12 -39.79 94.68 23.43 -39.87 3 0 20.50 -999 ? MG MG D 302 >TYR^D 168 95.79 27.80 -44.35 95.71 29.78 -46.32 95.75 28.79 -45.34 3 0 14.75 -999 ? MG MG D 301 >THR^D 169 97.62 30.68 -41.94 99.48 30.62 -40.85 98.55 30.65 -41.39 2 0 18.47 -999 ? MG MG D 301 >HIS^D 170 95.57 34.81 -46.05 95.59 36.24 -47.59 95.58 35.52 -46.82 3 0 10.59 -999 ? MG MG D 301 >ASP^D 171 100.39 36.69 -43.49 101.13 38.51 -42.69 100.76 37.60 -43.09 2 0 16.95 -999 ? MG MG D 301 >PHE^D 172 96.36 41.50 -44.84 96.77 43.66 -43.13 96.57 42.58 -43.99 3 0 13.02 -999 ? MG MG D 301 >ARG^D 173 100.48 42.57 -42.43 101.55 40.79 -40.06 101.01 41.68 -41.25 2 0 18.88 -999 ? MG MG D 301 >GLU^D 174 104.29 37.18 -46.00 105.30 38.94 -45.21 104.79 38.06 -45.60 2 0 19.76 -999 ? MG MG D 301 >THR^D 175 100.33 38.24 -50.15 98.81 36.95 -49.29 99.57 37.60 -49.72 2 0 12.60 -999 ? MG MG D 301 >GLY^D 176 99.98 41.95 -51.04 99.39 41.45 -50.84 99.69 41.70 -50.94 1 0 13.91 -999 ? MG MG D 301 >ASP^D 177 95.74 41.01 -49.76 94.81 39.90 -51.24 95.28 40.46 -50.50 2 0 8.43 -999 ? MG MG D 301 >THR^D 178 93.76 44.98 -49.28 93.73 46.80 -50.45 93.75 45.89 -49.87 2 0 10.95 -999 ? MG MG D 301 >ALA^D 179 90.58 45.61 -47.30 90.29 46.82 -46.46 90.43 46.21 -46.88 2 0 10.20 -999 ? MG MG D 301 >ALA^D 180 88.96 45.51 -50.74 89.59 46.01 -52.03 89.27 45.76 -51.39 2 0 8.04 -999 ? MG MG D 301 >ALA^D 181 89.39 41.74 -50.56 90.67 41.02 -50.20 90.03 41.38 -50.38 2 0 -4.93 -999 ? MG MG D 301s >LEU^D 182 86.38 43.00 -46.95 87.33 42.66 -44.92 86.86 42.83 -45.94 3 0 -5.45 -999 ? MG MG D 302s >GLY^D 183 84.07 42.30 -50.78 84.70 41.81 -50.82 84.38 42.06 -50.80 1 0 -4.40 -999 ? MG MG D 301s >GLY^D 184 83.33 40.04 -53.77 83.20 39.83 -52.97 83.27 39.94 -53.37 1 0 4.28 -999 ? MG MG D 301 >ASN^D 185 83.84 35.36 -54.61 82.18 35.66 -55.90 83.01 35.51 -55.25 2 0 -7.02 -999 ? MG MG D 301s >MET?D 186 86.29 34.30 -51.23 84.53 31.75 -48.25 85.41 33.02 -49.74 2 0 7.09 -999 ? MG MG D 302 >ASP^D 187 90.40 36.34 -52.69 89.24 37.98 -51.99 89.82 37.16 -52.34 2 0 -2.95 -999 ? MG MG D 301s >TYR^D 188 93.72 33.91 -50.86 95.36 36.03 -51.61 94.54 34.97 -51.23 3 0 8.87 -999 ? MG MG D 301 >SER^D 189 91.62 28.58 -50.95 91.45 27.78 -53.25 91.54 28.18 -52.10 2 0 12.12 -999 ? MG MG D 301 >PHE^D 190 93.52 26.32 -46.94 92.08 26.47 -44.56 92.80 26.39 -45.75 3 0 14.83 -999 ? MG MG D 301 >THR^D 191 93.38 21.98 -48.52 93.15 21.07 -50.52 93.26 21.52 -49.52 2 0 18.81 -999 ? MG MG D 301 >LYS^D 192 95.35 20.28 -45.75 100.42 20.77 -43.05 97.88 20.53 -44.40 2 0 24.09 -999 ? MG MG D 301 >ARG^D 193 95.76 15.06 -47.43 94.58 12.31 -46.69 95.17 13.68 -47.06 2 0 27.92 -999 ? MG MG D 301 >LEU^D 194 97.36 18.14 -40.17 98.85 19.15 -38.94 98.10 18.64 -39.56 3 0 25.91 -999 ? MG MG D 301 >MET?E 1 37.71 69.56 -65.55 36.51 70.70 -61.44 37.11 70.13 -63.50 2 0 38.44 -999 ? MG MG E 302 >THR^E 2 41.32 68.37 -65.29 42.66 69.03 -63.78 41.99 68.70 -64.53 2 0 33.84 -999 ? MG MG E 302 >ASN^E 3 42.47 65.36 -68.69 40.59 66.02 -69.39 41.53 65.69 -69.04 2 0 30.27 -999 ? MG MG F 301 >ILE^E 4 47.03 64.89 -67.98 47.74 63.54 -68.22 47.38 64.21 -68.10 3 0 28.01 -999 ? MG MG F 301 >ILE^E 5 47.35 66.12 -62.41 47.45 66.08 -61.64 47.40 66.10 -62.03 3 0 28.19 -999 ? MG MG E 302 >LYS^E 6 51.95 64.70 -63.33 56.16 64.03 -67.52 54.06 64.37 -65.42 2 0 25.59 -999 ? MG MG E 302 >ILE^E 7 53.75 63.88 -58.98 53.36 64.78 -57.73 53.55 64.33 -58.35 3 0 20.91 -999 ? MG MG E 302 >ARG^E 8 60.42 66.09 -63.48 62.84 64.38 -64.17 61.63 65.24 -63.82 2 0 20.19 -999 ? MG MG E 302 >ALA^E 9 60.74 63.76 -58.54 60.44 62.76 -57.48 60.59 63.26 -58.01 2 0 15.19 -999 ? MG MG E 302 >SER^E 10 64.47 64.04 -59.12 65.96 65.01 -60.83 65.22 64.53 -59.97 2 0 16.92 -999 ? MG MG E 302 >VAL^E 11 67.43 63.21 -56.83 67.26 61.77 -55.18 67.35 62.49 -56.00 3 0 11.37 -999 ? MG MG E 302 >PHE^E 12 70.06 67.18 -58.76 69.33 69.81 -58.07 69.70 68.49 -58.41 3 0 17.09 -999 ? MG MG E 302 >ILE^E 13 75.39 65.02 -56.97 76.29 64.19 -56.33 75.84 64.61 -56.65 3 0 14.83 -999 ? MG MG E 302 >PRO^E 14 73.82 70.18 -56.14 74.63 68.99 -57.82 74.22 69.58 -56.98 3 0 17.57 -999 ? MG MG E 301 >MET?E 15 78.44 69.39 -58.64 78.27 68.74 -54.79 78.35 69.06 -56.72 2 0 17.14 -999 ? MG MG E 301 >SER^E 16 80.65 67.65 -61.22 81.30 69.49 -62.59 80.98 68.57 -61.90 2 0 24.21 -999 ? MG MG E 302 >TRP^E 17 84.58 65.99 -61.17 84.39 62.29 -62.50 84.48 64.14 -61.84 3 0 23.16 -999 ? MG MG E 302 >THR^E 18 81.45 64.25 -55.27 80.73 62.21 -55.24 81.09 63.23 -55.25 2 0 15.84 -999 ? MG MG E 302 >GLU^E 19 82.78 67.13 -51.44 83.71 68.75 -50.40 83.25 67.94 -50.92 2 0 18.42 -999 ? MG MG E 301 >ALA^E 20 87.16 63.17 -52.75 88.49 63.70 -53.16 87.83 63.43 -52.95 2 0 21.91 -999 ? MG MG E 301 >LYS^E 21 87.88 60.38 -50.25 83.05 58.57 -47.65 85.47 59.48 -48.95 2 0 14.42 -999 ? MG MG E 301 >MET?E 22 91.41 59.18 -49.75 95.24 60.99 -49.90 93.33 60.09 -49.83 2 0 24.05 -999 ? MG MG D 301 >ASP^E 23 91.98 54.64 -49.37 91.93 52.78 -48.33 91.96 53.71 -48.85 2 0 15.43 -999 ? MG MG D 301 >MET?E 24 95.97 55.50 -46.92 96.01 58.90 -46.45 95.99 57.20 -46.69 2 0 22.89 -999 ? MG MG D 301 >GLU^E 25 95.44 49.40 -47.17 93.82 48.00 -47.21 94.63 48.70 -47.19 2 0 12.55 -999 ? MG MG D 301 >THR^E 26 96.37 52.25 -51.33 94.44 51.47 -51.78 95.41 51.86 -51.56 2 0 15.11 -999 ? MG MG D 301 >GLY^E 27 97.08 55.99 -51.80 96.40 55.63 -52.03 96.74 55.81 -51.92 1 0 20.34 -999 ? MG MG D 301 >GLN^E 28 93.86 53.90 -54.34 93.32 52.63 -55.94 93.59 53.27 -55.14 2 0 16.27 -999 ? MG MG D 301 >VAL^E 29 91.84 59.45 -54.17 92.53 61.54 -54.13 92.18 60.49 -54.15 3 0 22.78 -999 ? MG MG D 301 >ILE^E 30 88.17 56.94 -55.22 87.70 55.66 -54.49 87.94 56.30 -54.86 3 0 18.09 -999 ? MG MG D 301 >GLN^E 31 86.72 61.78 -58.15 88.75 61.32 -57.58 87.74 61.55 -57.86 2 0 23.24 -999 ? MG MG E 302 >PHE^E 32 81.32 57.98 -56.67 82.02 55.52 -55.49 81.67 56.75 -56.08 3 0 15.82 -999 ? MG MG E 302 >GLU^E 33 80.16 62.57 -63.35 80.54 62.13 -65.43 80.35 62.35 -64.39 2 0 22.81 -999 ? MG MG E 302 >GLY^E 34 77.63 64.22 -60.15 77.94 64.12 -60.90 77.78 64.17 -60.53 1 0 17.96 -999 ? MG MG E 302 >ASP^E 35 73.60 65.64 -62.00 73.13 63.73 -61.22 73.37 64.69 -61.61 2 0 16.91 -999 ? MG MG E 302 >SER^E 36 76.63 69.18 -62.93 78.20 67.77 -64.11 77.41 68.47 -63.52 2 0 22.92 -999 ? MG MG E 302 >ARG^E 37 70.82 68.02 -63.63 68.17 67.46 -62.14 69.50 67.74 -62.89 2 0 19.17 -999 ? MG MG E 302 >GLU^E 38 72.42 75.53 -60.31 73.00 74.78 -58.42 72.71 75.15 -59.36 2 0 21.68 -999 ? MG MG E 301 >PHE^E 39 67.23 73.00 -57.46 68.07 72.02 -54.98 67.65 72.51 -56.22 3 0 18.29 -999 ? MG MG E 301 >THR^E 40 65.26 72.42 -63.00 65.97 72.32 -65.06 65.61 72.37 -64.03 2 0 24.66 -999 ? MG MG E 302 >PRO^E 41 61.10 72.52 -64.17 62.60 70.96 -63.65 61.85 71.74 -63.91 3 0 24.29 -999 ? MG MG E 302 >HIS^E 42 62.33 71.93 -68.30 60.54 72.96 -68.64 61.44 72.44 -68.47 3 0 28.20 -999 ? MG MG E 302 >ALA^E 43 65.81 67.05 -66.75 66.56 67.21 -65.43 66.19 67.13 -66.09 2 0 21.87 -999 ? MG MG E 302 >VAL^E 44 63.87 63.92 -67.77 61.69 63.98 -67.81 62.78 63.95 -67.79 3 0 23.25 -999 ? MG MG E 302 >ASN^E 45 64.97 61.33 -71.05 63.29 60.06 -70.79 64.13 60.70 -70.92 2 0 24.46 -999 ? MG MG F 301 >THR^E 46 68.80 63.64 -69.48 69.18 65.66 -68.86 68.99 64.65 -69.17 2 0 24.08 -999 ? MG MG E 302 >MET?E 47 70.80 61.26 -67.27 70.47 58.00 -67.58 70.63 59.63 -67.42 2 0 20.91 -999 ? MG MG E 302 >ARG^E 48 73.60 65.75 -66.57 75.51 67.67 -67.91 74.56 66.71 -67.24 2 0 25.02 -999 ? MG MG E 302 >SER^E 49 69.86 62.56 -61.93 67.83 63.87 -62.36 68.85 63.21 -62.14 2 0 17.46 -999 ? MG MG E 302 >ARG^E 50 73.62 60.83 -58.23 74.10 60.41 -61.24 73.86 60.62 -59.73 2 0 15.97 -999 ? MG MG E 302 >VAL^E 51 67.08 58.90 -59.21 66.40 57.78 -57.49 66.74 58.34 -58.35 3 0 11.96 -999 ? MG MG E 302 >GLU^E 52 64.71 60.06 -63.78 64.69 61.36 -65.58 64.70 60.71 -64.68 2 0 19.96 -999 ? MG MG E 302 >GLN^E 53 58.99 57.94 -59.66 58.42 57.10 -57.76 58.71 57.52 -58.71 2 0 15.16 -999 ? MG MG E 302 >GLU^E 54 58.39 62.16 -64.12 58.73 62.98 -66.04 58.56 62.57 -65.08 2 0 22.83 -999 ? MG MG E 302 >VAL^E 55 53.75 59.42 -61.74 53.12 58.39 -59.94 53.43 58.91 -60.84 3 0 21.05 -999 ? MG MG E 302 >VAL^E 56 50.96 60.53 -64.03 51.25 60.99 -66.05 51.10 60.76 -65.04 3 0 25.89 -999 ? MG MG E 302 >VAL^E 57 47.41 60.37 -62.88 46.53 61.21 -61.05 46.97 60.79 -61.97 3 0 27.05 -999 ? MG MG E 302 >ASP^E 58 45.39 59.31 -66.83 44.62 59.88 -68.72 45.01 59.60 -67.78 2 0 26.76 -999 ? MG MG F 301 >PHE^E 59 41.55 62.67 -62.73 42.33 62.92 -60.06 41.94 62.80 -61.39 3 0 31.36 -999 ? MG MG E 302 >TYR^E 60 39.82 61.07 -70.68 38.29 60.72 -72.98 39.06 60.90 -71.83 3 0 27.19 -999 ? MG MG F 301 >LYS^E 61 40.99 56.84 -68.48 45.99 56.72 -72.39 43.49 56.78 -70.44 2 0 22.16 -999 ? MG MG F 301 >GLN^E 62 39.79 56.44 -62.65 37.98 55.76 -61.77 38.89 56.10 -62.21 2 0 34.31 -999 ? MG MG E 302 >GLU^E 63 44.04 53.99 -66.79 43.77 51.93 -66.35 43.90 52.96 -66.57 2 0 28.08 -999 ? MG MG F 301 >VAL^E 64 47.99 55.95 -62.87 48.37 56.45 -60.81 48.18 56.20 -61.84 3 0 25.56 -999 ? MG MG E 302 >PHE^E 65 49.98 55.58 -67.11 47.62 55.01 -68.64 48.80 55.29 -67.87 3 0 25.27 -999 ? MG MG F 301 >SER^E 66 54.72 55.62 -63.56 54.90 53.49 -62.62 54.81 54.55 -63.09 2 0 21.23 -999 ? MG MG E 302 >TYR^E 67 59.76 57.41 -66.37 62.46 58.08 -67.03 61.11 57.74 -66.70 3 0 21.41 -999 ? MG MG E 302 >ALA^E 68 61.36 55.26 -62.92 61.18 54.08 -62.02 61.27 54.67 -62.47 2 0 17.13 -999 ? MG MG E 302 >ASN^E 69 65.28 56.38 -64.89 66.38 55.27 -66.29 65.83 55.83 -65.59 2 0 19.64 -999 ? MG MG E 302 >THR^E 70 68.45 55.77 -62.07 68.75 53.75 -61.41 68.60 54.76 -61.74 2 0 14.75 -999 ? MG MG E 302 >GLY^E 71 71.48 57.52 -63.50 71.50 56.77 -63.11 71.49 57.15 -63.30 1 0 16.95 -999 ? MG MG E 302 >ILE^E 72 75.59 56.17 -65.76 75.59 54.91 -66.63 75.59 55.54 -66.19 3 0 20.51 -999 ? MG MG E 302 >THR^E 73 77.31 55.78 -61.57 77.11 55.21 -59.48 77.21 55.50 -60.53 2 0 15.13 -999 ? MG MG E 302 >THR^E 74 80.89 56.59 -62.50 81.13 57.37 -64.43 81.01 56.98 -63.46 2 0 21.51 -999 ? MG MG E 302 >GLU^E 75 84.65 53.96 -59.58 85.64 52.81 -58.05 85.14 53.38 -58.82 2 0 15.76 -999 ? MG MG D 301 >LYS^E 76 87.09 58.11 -60.91 88.65 63.65 -61.27 87.87 60.88 -61.09 2 0 25.68 -999 ? MG MG E 302 >VAL^E 77 90.04 56.55 -59.07 89.97 54.63 -58.04 90.00 55.59 -58.55 3 0 18.80 -999 ? MG MG D 301 >ILE^E 78 93.45 59.98 -58.81 93.53 61.35 -59.11 93.49 60.67 -58.96 3 0 24.38 -999 ? MG MG D 301 >SER^E 79 96.22 56.25 -58.39 95.94 54.06 -59.20 96.08 55.15 -58.80 2 0 19.77 -999 ? MG MG D 301 >PRO^E 80 98.91 55.30 -55.13 98.69 56.90 -56.64 98.80 56.10 -55.89 3 0 21.88 -999 ? MG MG D 301 >ASP^E 81 101.61 56.30 -60.24 100.25 55.53 -61.72 100.93 55.91 -60.98 2 0 24.19 -999 ? MG MG D 301 >GLY^E 82 98.75 59.89 -61.45 98.48 59.14 -61.39 98.62 59.52 -61.42 1 0 26.59 -999 ? MG MG D 301 >SER^E 83 96.88 57.42 -63.66 97.96 55.45 -62.84 97.42 56.44 -63.25 2 0 23.44 -999 ? MG MG D 301 >VAL^E 84 93.10 57.56 -63.54 92.42 59.40 -64.54 92.76 58.48 -64.04 3 0 24.45 -999 ? MG MG D 301 >ASN^E 85 90.97 53.37 -63.23 89.62 51.76 -63.71 90.29 52.56 -63.47 2 0 18.39 -999 ? MG MG D 301 >LYS^E 86 86.84 54.85 -64.43 87.07 60.83 -66.10 86.96 57.84 -65.27 2 0 26.73 -999 ? MG MG D 301 >ARG^E 87 85.24 49.22 -61.34 83.59 49.18 -58.71 84.42 49.20 -60.02 2 0 13.25 -999 ? MG MG D 301 >THR^E 88 80.56 52.52 -64.50 80.70 53.32 -66.53 80.63 52.92 -65.51 2 0 21.98 -999 ? MG MG D 301 >GLY^E 89 77.50 50.68 -63.25 77.41 51.57 -63.34 77.46 51.12 -63.29 1 0 19.25 -999 ? MG MG D 301 >LYS^E 90 73.81 51.50 -63.18 69.15 52.39 -65.65 71.48 51.94 -64.42 2 0 19.16 -999 ? MG MG E 302 >ALA^E 91 71.73 51.22 -59.99 71.40 52.44 -59.12 71.57 51.83 -59.55 2 0 13.03 -999 ? MG MG E 302 >SER^E 92 68.69 48.93 -60.16 67.14 47.20 -59.59 67.91 48.07 -59.88 2 0 15.58 -999 ? MG MG E 302 >THR^E 93 65.27 50.61 -60.45 64.92 51.11 -62.51 65.09 50.86 -61.48 2 0 16.89 -999 ? MG MG E 302 >GLU^E 94 62.96 45.14 -58.39 62.13 44.53 -60.28 62.55 44.83 -59.34 2 0 18.90 -999 ? MG MG E 302 >ASN^E 95 63.77 49.77 -54.50 64.30 47.82 -53.94 64.03 48.80 -54.22 2 0 11.73 -999 ? MG MG E 302 >ILE^E 96 62.24 53.74 -58.25 63.10 54.52 -58.73 62.67 54.13 -58.49 3 0 13.33 -999 ? MG MG E 302 >VAL^E 97 57.80 52.34 -57.29 58.03 50.59 -55.98 57.91 51.47 -56.64 3 0 15.37 -999 ? MG MG E 302 >CYH^E 98 54.33 53.74 -57.08 52.28 55.17 -58.24 53.31 54.46 -57.66 2 0 20.14 -999 ? MG MG E 302 >THR^E 99 51.98 51.80 -54.83 53.63 50.94 -53.76 52.80 51.37 -54.29 2 0 17.47 -999 ? MG MG E 302 >ASP^E 100 49.30 52.58 -51.44 50.47 51.29 -50.20 49.88 51.93 -50.82 2 0 19.27 -999 ? MG MG E 302 >ILE^E 101 46.53 53.02 -56.88 47.20 53.79 -57.99 46.86 53.40 -57.43 3 0 24.56 -999 ? MG MG E 302 >VAL^E 102 43.20 54.24 -53.87 42.71 53.94 -51.78 42.96 54.09 -52.82 3 0 26.66 -999 ? MG MG E 302 >TRP^E 103 42.03 54.00 -58.74 42.60 57.21 -60.89 42.31 55.60 -59.82 3 0 29.56 -999 ? MG MG E 302 >ASN^E 104 37.10 58.10 -53.77 38.39 59.70 -53.28 37.75 58.90 -53.52 2 0 31.37 -999 ? MG MG E 302 >SER^E 105 34.93 60.18 -56.74 32.96 59.33 -55.70 33.95 59.76 -56.22 2 0 37.13 -999 ? MG MG E 302 >GLY^E 106 37.10 62.99 -55.32 37.34 62.44 -55.84 37.22 62.71 -55.58 1 0 33.62 -999 ? MG MG E 302 >GLY^E 107 40.44 61.97 -56.89 40.08 61.32 -56.45 40.26 61.64 -56.67 1 0 30.74 -999 ? MG MG E 302 >VAL^E 108 43.16 59.43 -56.03 44.49 58.60 -57.60 43.83 59.01 -56.82 3 0 27.13 -999 ? MG MG E 302 >GLN^E 109 44.48 59.28 -51.50 43.49 58.09 -50.03 43.98 58.69 -50.77 2 0 25.66 -999 ? MG MG E 302 >PHE^E 110 49.73 57.83 -56.11 50.46 60.21 -57.41 50.09 59.02 -56.76 3 0 21.45 -999 ? MG MG E 302 >LYS^E 111 52.49 56.44 -52.43 54.52 53.78 -47.52 53.50 55.11 -49.98 2 0 14.52 -999 ? MG MG E 302 >MET?E 112 55.80 57.05 -54.29 55.40 60.56 -56.76 55.60 58.80 -55.53 2 0 17.35 -999 ? MG MG E 302 >SER^E 113 58.97 55.48 -52.80 57.49 54.03 -51.61 58.23 54.75 -52.20 2 0 12.49 -999 ? MG MG E 302 >ALA^E 114 62.47 55.47 -54.12 62.92 56.71 -54.76 62.70 56.09 -54.44 2 0 9.94 -999 ? MG MG E 302 >SER^E 115 65.46 53.67 -52.76 66.19 52.26 -50.99 65.82 52.96 -51.87 2 0 6.17 -999 ? MG MG E 302 >ALA^E 116 68.64 53.26 -54.80 68.60 54.11 -56.01 68.62 53.68 -55.40 2 0 9.37 -999 ? MG MG E 302 >SER^E 117 72.02 51.78 -53.96 71.28 49.71 -53.01 71.65 50.74 -53.48 2 0 9.12 -999 ? MG MG E 302 >ASN^E 118 76.50 53.47 -54.63 78.11 53.97 -55.93 77.31 53.72 -55.28 2 0 13.13 -999 ? MG MG E 302 >PRO^E 119 75.96 51.35 -59.42 76.19 50.48 -57.34 76.08 50.91 -58.38 3 0 14.53 -999 ? MG MG E 302 >LEU^E 120 80.68 51.63 -58.28 80.69 51.10 -60.40 80.68 51.37 -59.34 3 0 16.17 -999 ? MG MG D 301 >ASN^E 121 80.31 53.55 -53.29 81.18 54.02 -51.40 80.75 53.79 -52.34 2 0 13.28 -999 ? MG MG E 302 >VAL^E 122 79.05 49.32 -51.23 79.33 47.16 -51.56 79.19 48.24 -51.39 3 0 11.05 -999 ? MG MG D 302 >TYR^E 123 82.15 50.70 -47.72 84.01 48.63 -47.87 83.08 49.67 -47.80 3 0 10.90 -999 ? MG MG D 302 >ALA^E 124 76.88 53.67 -49.23 76.97 54.46 -50.55 76.93 54.06 -49.89 2 0 9.05 -999 ? MG MG E 302 >PRO^E 125 74.05 54.74 -46.38 74.13 53.14 -47.94 74.09 53.94 -47.16 3 0 5.62 -999 ? MG MG E 302 >PRO^E 126 69.75 51.61 -49.67 71.03 53.46 -49.85 70.39 52.53 -49.76 3 0 -4.77 -999 ? MG MG E 302s >VAL^E 127 69.17 57.27 -51.00 69.67 58.68 -52.55 69.42 57.98 -51.77 3 0 5.37 -999 ? MG MG E 302 >ASP^E 128 65.38 56.57 -48.58 66.15 54.57 -48.61 65.76 55.57 -48.59 2 0 -3.53 -999 ? MG MG E 302s >TYR^E 129 62.09 60.15 -52.83 61.47 59.53 -55.45 61.78 59.84 -54.14 3 0 10.89 -999 ? MG MG E 302 >VAL^E 130 58.77 58.48 -49.78 57.89 57.27 -48.12 58.33 57.88 -48.95 3 0 10.91 -999 ? MG MG E 302 >LEU^E 131 55.95 61.46 -52.09 57.35 63.09 -52.46 56.65 62.28 -52.27 3 0 14.79 -999 ? MG MG E 302 >ASN^E 132 51.80 60.19 -48.38 52.68 58.51 -47.42 52.24 59.35 -47.90 2 0 16.39 -999 ? MG MG E 302 >VAL^E 133 50.39 62.25 -52.48 51.11 61.87 -54.51 50.75 62.06 -53.49 3 0 20.24 -999 ? MG MG E 302 >CYH^E 134 46.74 63.09 -52.79 44.18 63.32 -51.85 45.46 63.21 -52.32 2 0 26.24 -999 ? MG MG E 302 >VAL^E 135 45.52 64.24 -56.24 46.64 64.00 -58.08 46.08 64.12 -57.16 3 0 26.31 -999 ? MG MG E 302 >LYS^E 136 42.12 65.93 -56.52 39.36 65.07 -51.83 40.74 65.50 -54.17 2 0 31.27 -999 ? MG MG E 302 >LYS^E 137 40.01 66.05 -59.66 36.65 60.99 -60.28 38.33 63.52 -59.97 2 0 35.26 -999 ? MG MG E 302 >ASP^E 138 39.58 70.77 -58.63 40.74 70.78 -56.80 40.16 70.77 -57.72 2 0 33.31 -999 ? MG MG E 302 >GLY^E 139 43.96 69.53 -60.06 43.71 69.52 -59.31 43.84 69.53 -59.68 1 0 31.29 -999 ? MG MG E 302 >SER^E 140 45.10 70.42 -56.56 43.21 70.47 -55.13 44.16 70.45 -55.85 2 0 30.62 -999 ? MG MG E 302 >ILE^E 141 48.64 67.62 -55.42 49.73 67.68 -56.27 49.19 67.65 -55.85 3 0 24.60 -999 ? MG MG E 302 >ASP^E 142 47.19 67.15 -50.37 47.44 67.18 -48.23 47.31 67.17 -49.30 2 0 23.66 -999 ? MG MG E 301 >VAL^E 143 51.84 65.79 -50.38 53.29 65.87 -52.03 52.57 65.83 -51.20 3 0 19.53 -999 ? MG MG E 301 >GLN^E 144 51.74 64.42 -45.34 50.01 64.85 -46.49 50.87 64.64 -45.92 2 0 20.26 -999 ? MG MG E 301 >GLY^E 145 57.08 63.68 -47.92 56.95 63.88 -47.12 57.01 63.78 -47.52 1 0 13.69 -999 ? MG MG E 301 >GLU^E 146 58.72 60.89 -44.51 59.23 60.24 -42.54 58.98 60.56 -43.53 2 0 10.15 -999 ? MG MG E 301 >HIS^E 147 63.87 64.43 -48.39 64.18 66.45 -47.92 64.02 65.44 -48.15 3 0 9.22 -999 ? MG MG E 301 >ASP^E 148 68.29 60.44 -47.29 68.03 58.42 -46.50 68.16 59.43 -46.90 2 0 2.62 -999 ? MG MG E 302s >GLY^E 149 69.31 64.70 -46.05 69.60 64.17 -46.61 69.45 64.44 -46.33 1 0 5.75 -999 ? MG MG E 301 >PHE^E 150 74.01 63.99 -49.53 76.06 63.87 -51.45 75.04 63.93 -50.49 3 0 10.10 -999 ? MG MG E 301 >PRO^E 151 72.04 63.49 -53.71 71.74 64.26 -51.63 71.89 63.88 -52.67 3 0 10.30 -999 ? MG MG E 302 >CYH^E 152 69.49 67.27 -53.54 71.02 69.50 -54.03 70.25 68.39 -53.78 2 0 14.64 -999 ? MG MG E 301 >PHE^E 153 65.86 64.95 -52.12 67.22 62.73 -51.09 66.54 63.84 -51.60 3 0 9.50 -999 ? MG MG E 302 >GLU^E 154 64.41 68.21 -58.47 65.40 69.20 -60.08 64.91 68.70 -59.28 2 0 19.05 -999 ? MG MG E 302 >PHE^E 155 59.64 66.20 -54.61 61.24 64.46 -53.08 60.44 65.33 -53.84 3 0 14.42 -999 ? MG MG E 302 >TYR^E 156 59.31 70.31 -60.22 61.84 71.39 -59.92 60.57 70.85 -60.07 3 0 21.59 -999 ? MG MG E 302 >LYS^E 157 53.63 69.16 -60.42 48.34 71.81 -58.40 50.99 70.49 -59.41 2 0 28.40 -999 ? MG MG E 302 >GLN^E 158 53.21 69.78 -66.26 54.74 69.25 -67.64 53.97 69.51 -66.95 2 0 28.44 -999 ? MG MG E 302 >VAL^E 159 48.63 69.65 -65.05 47.27 70.77 -63.68 47.95 70.21 -64.36 3 0 30.79 -999 ? MG MG E 302 >ASP^E 160 45.81 70.00 -68.45 44.10 68.87 -67.77 44.95 69.43 -68.11 2 0 31.54 -999 ? MG MG F 301 >PHE^E 161 49.74 68.03 -71.94 48.60 65.47 -72.38 49.17 66.75 -72.16 3 0 25.51 -999 ? MG MG F 301 >GLY^E 162 50.76 73.15 -68.51 51.33 72.57 -68.47 51.04 72.86 -68.49 1 0 32.03 -999 ? MG MG F 301 >PRO^E 163 52.51 76.61 -66.43 53.22 74.67 -67.30 52.87 75.64 -66.87 3 0 32.32 -999 ? MG MG E 302 >PHE^E 164 57.42 71.31 -64.81 57.98 68.84 -66.03 57.70 70.07 -65.42 3 0 25.87 -999 ? MG MG E 302 >GLU^E 165 52.92 74.97 -61.04 50.84 74.87 -60.51 51.88 74.92 -60.77 2 0 29.48 -999 ? MG MG E 301 >LYS^E 166 57.66 73.57 -57.60 60.27 76.17 -53.59 58.96 74.87 -55.60 2 0 21.46 -999 ? MG MG E 301 >ILE^E 167 55.94 69.92 -54.93 55.05 68.79 -55.02 55.50 69.36 -54.97 3 0 20.52 -999 ? MG MG E 301 >TYR^E 168 60.07 69.95 -50.54 61.99 69.37 -48.59 61.03 69.66 -49.56 3 0 14.43 -999 ? MG MG E 301 >THR^E 169 63.17 71.31 -52.89 63.43 72.88 -54.31 63.30 72.10 -53.60 2 0 18.18 -999 ? MG MG E 301 >HIS^E 170 66.96 68.76 -48.87 68.36 68.54 -47.33 67.66 68.65 -48.10 3 0 10.33 -999 ? MG MG E 301 >ASP^E 171 69.61 73.12 -51.56 71.50 73.53 -52.39 70.55 73.32 -51.98 2 0 16.73 -999 ? MG MG E 301 >PHE^E 172 73.54 68.41 -50.00 75.58 68.36 -51.87 74.56 68.39 -50.94 3 0 12.71 -999 ? MG MG E 301 >ARG^E 173 75.16 72.26 -52.56 73.67 73.54 -55.01 74.41 72.90 -53.79 2 0 18.66 -999 ? MG MG E 301 >GLU^E 174 70.48 76.62 -49.45 71.76 78.34 -49.45 71.12 77.48 -49.45 2 0 19.83 -999 ? MG MG E 301 >THR^E 175 71.20 72.92 -44.89 69.57 71.76 -45.77 70.38 72.34 -45.33 2 0 12.38 -999 ? MG MG E 301 >GLY^E 176 74.69 71.68 -44.17 74.06 71.19 -44.32 74.38 71.43 -44.24 1 0 13.22 -999 ? MG MG E 301 >ASP^E 177 72.81 67.32 -45.03 71.14 67.96 -43.95 71.97 67.64 -44.49 2 0 8.55 -999 ? MG MG E 301 >THR^E 178 76.63 65.42 -45.81 78.18 64.57 -44.51 77.41 64.99 -45.16 2 0 10.20 -999 ? MG MG E 301 >ALA^E 179 76.81 62.00 -47.52 77.96 61.52 -48.40 77.38 61.76 -47.96 2 0 10.17 -999 ? MG MG E 301 >ALA^E 180 76.35 60.44 -44.08 76.96 60.95 -42.80 76.65 60.69 -43.44 2 0 7.76 -999 ? MG MG E 301 >ALA^E 181 72.69 61.53 -44.13 72.20 62.95 -44.39 72.44 62.24 -44.26 2 0 -4.51 -999 ? MG MG E 301s >LEU^E 182 73.35 58.39 -47.69 73.54 59.04 -49.77 73.44 58.72 -48.73 3 0 -5.68 -999 ? MG MG E 302s >GLY^E 183 72.33 56.33 -43.87 71.83 56.99 -43.77 72.08 56.66 -43.82 1 0 -4.49 -999 ? MG MG E 301s >GLY^E 184 69.91 55.36 -41.13 69.77 55.58 -41.87 69.84 55.47 -41.50 1 0 4.85 -999 ? MG MG E 301 >ASN^E 185 65.70 57.16 -40.06 65.41 55.24 -39.19 65.56 56.20 -39.63 2 0 -7.20 -999 ? MG MG E 301s >MET?E 186 64.96 59.75 -43.61 62.36 57.97 -46.28 63.66 58.86 -44.95 2 0 6.83 -999 ? MG MG E 302 >ASP^E 187 67.50 63.43 -41.69 68.97 62.26 -42.81 68.23 62.84 -42.25 2 0 -2.71 -999 ? MG MG E 301s >TYR^E 188 65.58 67.09 -44.08 67.82 68.57 -43.41 66.70 67.83 -43.74 3 0 8.62 -999 ? MG MG E 301 >SER^E 189 60.13 65.61 -43.87 59.01 65.34 -41.74 59.57 65.48 -42.80 2 0 11.91 -999 ? MG MG E 301 >PHE^E 190 58.27 67.97 -47.86 58.03 66.58 -50.23 58.15 67.28 -49.05 3 0 14.70 -999 ? MG MG E 301 >THR^E 191 54.11 68.77 -46.13 52.75 69.16 -44.48 53.43 68.97 -45.31 2 0 19.16 -999 ? MG MG E 301 >LYS^E 192 52.64 70.58 -49.14 53.48 75.40 -50.95 53.06 72.99 -50.04 2 0 23.62 -999 ? MG MG E 301 >ARG^E 193 47.02 71.25 -47.53 44.19 71.23 -48.93 45.60 71.24 -48.23 2 0 28.25 -999 ? MG MG E 301 >LEU^E 194 50.82 73.83 -54.29 51.86 72.98 -56.01 51.34 73.40 -55.15 3 0 25.55 -999 ? MG MG E 301 >MET?F 1 79.07 77.21 -74.29 79.52 78.98 -77.09 79.30 78.10 -75.69 2 0 39.49 -999 ? MG MG E 302 >THR^F 2 76.07 74.83 -74.70 74.98 75.15 -76.59 75.53 74.99 -75.65 2 0 34.54 -999 ? MG MG F 301 >ASN^F 3 76.18 71.56 -71.39 78.06 72.28 -70.84 77.12 71.92 -71.11 2 0 30.46 -999 ? MG MG E 302 >ILE^F 4 72.14 69.20 -71.98 71.56 68.16 -71.16 71.85 68.68 -71.57 3 0 27.98 -999 ? MG MG E 302 >ILE^F 5 70.87 70.15 -77.59 70.92 69.96 -78.47 70.89 70.05 -78.03 3 0 28.12 -999 ? MG MG F 301 >LYS^F 6 67.53 67.03 -76.43 64.05 65.33 -71.86 65.79 66.18 -74.15 2 0 26.09 -999 ? MG MG F 301 >ILE^F 7 66.12 65.31 -80.72 66.15 66.34 -81.81 66.14 65.82 -81.26 3 0 21.04 -999 ? MG MG F 301 >ARG^F 8 58.98 65.22 -76.31 57.29 62.84 -75.38 58.14 64.03 -75.85 2 0 20.20 -999 ? MG MG F 301 >ALA^F 9 59.78 62.63 -81.12 60.54 61.63 -82.00 60.16 62.13 -81.56 2 0 15.22 -999 ? MG MG F 301 >SER^F 10 56.13 61.85 -80.66 54.44 62.39 -79.08 55.29 62.12 -79.87 2 0 16.76 -999 ? MG MG F 301 >VAL^F 11 53.49 60.00 -82.63 54.06 58.65 -84.22 53.78 59.33 -83.42 3 0 11.49 -999 ? MG MG F 301 >PHE^F 12 49.70 62.79 -80.90 49.37 65.44 -81.67 49.53 64.11 -81.28 3 0 17.12 -999 ? MG MG F 301 >ILE^F 13 45.40 58.67 -82.52 44.93 57.59 -82.94 45.17 58.13 -82.73 3 0 14.78 -999 ? MG MG F 301 >PRO^F 14 44.78 63.92 -83.81 44.84 62.73 -81.90 44.81 63.32 -82.85 3 0 17.11 -999 ? MG MG F 302 >MET?F 15 41.03 61.79 -81.10 41.48 61.55 -84.81 41.26 61.67 -82.96 2 0 16.94 -999 ? MG MG F 302 >SER^F 16 39.77 59.81 -78.14 38.80 61.26 -76.65 39.29 60.53 -77.40 2 0 24.10 -999 ? MG MG F 301 >TRP^F 17 36.94 56.86 -77.76 38.25 53.31 -76.79 37.59 55.08 -77.27 3 0 22.92 -999 ? MG MG F 301 >THR^F 18 39.95 55.99 -83.96 41.26 54.27 -83.96 40.60 55.13 -83.96 2 0 15.93 -999 ? MG MG F 301 >GLU^F 19 36.39 58.51 -87.58 37.20 60.13 -88.66 36.80 59.32 -88.12 2 0 17.88 -999 ? MG MG F 302 >ALA^F 20 34.84 53.31 -86.39 33.36 53.42 -85.94 34.10 53.37 -86.17 2 0 22.01 -999 ? MG MG F 302 >LYS^F 21 35.01 50.26 -88.61 40.89 49.42 -90.41 37.95 49.84 -89.51 2 0 14.14 -999 ? MG MG F 301 >MET?F 22 31.77 48.37 -88.80 27.75 49.84 -88.69 29.76 49.11 -88.74 2 0 26.79 -999 ? MG MG F 302 >ASP^F 23 31.30 43.61 -89.40 33.44 43.69 -89.02 32.37 43.65 -89.21 2 0 23.03 -999 ? MG MG F 301 >MET?F 24 27.48 45.37 -91.75 27.29 48.54 -92.42 27.39 46.96 -92.08 2 0 26.82 -999 ? MG MG F 302 >GLU^F 25 25.46 39.69 -92.49 25.45 39.72 -94.61 25.46 39.71 -93.55 2 0 31.76 -999 ? MG MG F 302 >THR^F 26 26.77 41.53 -87.68 28.88 41.46 -87.10 27.82 41.50 -87.39 2 0 28.34 -999 ? MG MG F 301 >GLY^F 27 26.40 45.24 -86.71 27.11 44.80 -86.61 26.75 45.02 -86.66 1 0 29.60 -999 ? MG MG F 301 >GLN^F 28 31.58 43.72 -83.84 32.04 41.78 -83.12 31.81 42.75 -83.48 2 0 26.45 -999 ? MG MG F 301 >VAL^F 29 31.76 48.15 -84.53 30.70 50.03 -84.50 31.23 49.09 -84.52 3 0 24.86 -999 ? MG MG F 301 >ILE^F 30 36.23 47.28 -84.58 36.80 46.25 -84.88 36.52 46.76 -84.73 3 0 20.33 -999 ? MG MG F 301 >GLN^F 31 35.83 52.89 -82.79 34.54 54.19 -81.84 35.18 53.54 -82.31 2 0 22.77 -999 ? MG MG F 301 >PHE^F 32 42.40 50.26 -82.52 42.59 47.55 -83.32 42.50 48.90 -82.92 3 0 15.64 -999 ? MG MG F 301 >GLU^F 33 41.88 55.13 -75.91 42.06 54.64 -73.84 41.97 54.89 -74.87 2 0 22.46 -999 ? MG MG F 301 >GLY^F 34 43.60 57.46 -79.20 43.37 57.32 -78.41 43.49 57.39 -78.80 1 0 17.95 -999 ? MG MG F 301 >ASP^F 35 46.82 60.47 -77.63 48.00 58.79 -78.23 47.41 59.63 -77.93 2 0 16.93 -999 ? MG MG F 301 >SER^F 36 42.79 62.77 -76.96 42.19 61.23 -75.17 42.49 62.00 -76.06 2 0 23.07 -999 ? MG MG F 301 >ARG^F 37 48.80 64.46 -76.37 51.50 64.15 -77.79 50.15 64.30 -77.08 2 0 19.14 -999 ? MG MG F 301 >GLU^F 38 44.63 69.79 -79.91 44.13 69.05 -81.85 44.38 69.42 -80.88 2 0 21.28 -999 ? MG MG F 302 >PHE^F 39 50.42 69.23 -82.87 49.95 67.86 -85.25 50.18 68.55 -84.06 3 0 17.69 -999 ? MG MG F 302 >THR^F 40 52.32 69.62 -77.21 51.38 69.00 -75.36 51.85 69.31 -76.29 2 0 24.18 -999 ? MG MG F 301 >PRO^F 41 56.13 71.32 -76.81 55.27 69.33 -76.27 55.70 70.33 -76.54 3 0 24.15 -999 ? MG MG F 301 >HIS^F 42 55.11 70.50 -71.64 56.29 72.22 -71.48 55.70 71.36 -71.56 3 0 28.34 -999 ? MG MG F 301 >ALA^F 43 53.63 64.70 -73.15 53.00 64.46 -74.53 53.31 64.58 -73.84 2 0 21.71 -999 ? MG MG F 301 >VAL^F 44 56.46 62.56 -71.76 58.56 63.03 -71.80 57.51 62.79 -71.78 3 0 23.29 -999 ? MG MG F 301 >ASN^F 45 56.42 59.79 -68.43 58.48 59.32 -68.69 57.45 59.56 -68.56 2 0 24.43 -999 ? MG MG E 302 >THR^F 46 51.99 60.48 -70.07 50.88 62.21 -70.66 51.43 61.34 -70.36 2 0 24.16 -999 ? MG MG F 301 >MET?F 47 50.99 57.52 -72.23 52.61 54.71 -71.56 51.80 56.11 -71.89 2 0 20.94 -999 ? MG MG F 301 >ARG^F 48 46.82 60.90 -73.07 44.43 61.88 -71.46 45.63 61.39 -72.27 2 0 25.18 -999 ? MG MG F 301 >SER^F 49 51.43 58.69 -77.53 52.81 60.66 -77.24 52.12 59.67 -77.39 2 0 17.41 -999 ? MG MG F 301 >ARG^F 50 48.85 56.05 -80.24 48.26 54.66 -77.55 48.55 55.36 -78.90 2 0 16.24 -999 ? MG MG F 301 >VAL^F 51 55.39 56.14 -80.00 56.48 55.14 -81.60 55.93 55.64 -80.80 3 0 12.06 -999 ? MG MG F 301 >GLU^F 52 57.09 59.62 -75.76 56.76 59.40 -73.62 56.93 59.51 -74.69 2 0 20.13 -999 ? MG MG F 301 >GLN^F 53 63.34 58.26 -79.73 63.90 57.42 -81.62 63.62 57.84 -80.68 2 0 15.06 -999 ? MG MG F 301 >GLU^F 54 62.26 62.27 -75.30 61.72 63.47 -73.60 61.99 62.87 -74.45 2 0 22.98 -999 ? MG MG F 301 >VAL^F 55 67.66 61.48 -77.69 68.65 60.68 -79.44 68.15 61.08 -78.57 3 0 21.23 -999 ? MG MG F 301 >VAL^F 56 69.93 63.52 -75.43 69.35 64.06 -73.41 69.64 63.79 -74.42 3 0 26.07 -999 ? MG MG F 301 >VAL^F 57 73.34 64.65 -76.61 73.69 65.86 -78.43 73.51 65.26 -77.52 3 0 27.33 -999 ? MG MG F 301 >ASP^F 58 75.55 64.68 -72.56 76.21 65.63 -70.79 75.88 65.15 -71.68 2 0 26.87 -999 ? MG MG E 302 >PHE^F 59 77.96 68.89 -76.99 76.86 68.73 -79.55 77.41 68.81 -78.27 3 0 31.53 -999 ? MG MG F 301 >TYR^F 60 79.79 68.64 -68.89 81.11 68.86 -66.46 80.45 68.75 -67.67 3 0 27.07 -999 ? MG MG E 302 >LYS^F 61 80.24 64.12 -71.01 76.23 61.95 -66.39 78.23 63.03 -68.70 2 0 21.75 -999 ? MG MG E 302 >GLN^F 62 82.29 64.54 -76.33 83.65 64.12 -77.92 82.97 64.33 -77.12 2 0 34.50 -999 ? MG MG F 301 >GLU^F 63 78.38 60.07 -72.34 78.48 58.04 -72.84 78.43 59.06 -72.59 2 0 27.81 -999 ? MG MG E 302 >VAL^F 64 74.42 60.22 -76.24 73.90 60.55 -78.32 74.16 60.39 -77.28 3 0 25.95 -999 ? MG MG F 301 >PHE^F 65 72.59 59.42 -72.14 74.91 60.01 -70.72 73.75 59.71 -71.43 3 0 25.37 -999 ? MG MG E 302 >SER^F 66 68.12 57.69 -75.42 68.70 55.68 -76.54 68.41 56.68 -75.98 2 0 21.35 -999 ? MG MG F 301 >TYR^F 67 62.63 57.65 -72.90 59.95 57.21 -72.29 61.29 57.43 -72.60 3 0 21.41 -999 ? MG MG F 301 >ALA^F 68 61.95 55.11 -76.22 62.56 54.23 -77.27 62.26 54.67 -76.74 2 0 17.05 -999 ? MG MG F 301 >ASN^F 69 58.04 54.70 -74.12 56.99 53.50 -72.70 57.51 54.10 -73.41 2 0 19.72 -999 ? MG MG F 301 >THR^F 70 55.11 52.83 -76.85 55.53 50.86 -77.56 55.32 51.85 -77.21 2 0 14.73 -999 ? MG MG F 301 >GLY^F 71 51.61 53.62 -75.65 51.89 52.91 -76.00 51.75 53.26 -75.83 1 0 16.93 -999 ? MG MG F 301 >ILE^F 72 48.46 50.90 -73.36 48.32 50.47 -72.15 48.39 50.69 -72.75 3 0 20.50 -999 ? MG MG F 301 >THR^F 73 46.81 49.68 -77.46 47.14 48.99 -79.45 46.98 49.34 -78.45 2 0 15.13 -999 ? MG MG F 301 >THR^F 74 43.07 49.39 -76.61 42.46 50.11 -74.68 42.76 49.75 -75.65 2 0 21.46 -999 ? MG MG F 301 >GLU^F 75 40.19 46.06 -80.81 40.09 43.94 -81.24 40.14 45.00 -81.03 2 0 19.96 -999 ? MG MG F 301 >LYS^F 76 36.96 48.52 -78.06 33.74 53.37 -77.06 35.35 50.94 -77.56 2 0 25.89 -999 ? MG MG F 301 >VAL^F 77 34.29 46.26 -79.66 34.85 44.29 -80.54 34.57 45.28 -80.10 3 0 24.42 -999 ? MG MG F 301 >ILE^F 78 30.04 48.71 -79.90 29.78 49.85 -79.69 29.91 49.28 -79.79 3 0 27.85 -999 ? MG MG F 301 >SER^F 79 28.21 44.39 -80.24 29.11 42.36 -79.32 28.66 43.38 -79.78 2 0 30.22 -999 ? MG MG F 301 >PRO^F 80 25.07 42.26 -82.22 25.52 44.43 -81.78 25.29 43.35 -82.00 3 0 32.30 -999 ? MG MG F 301 >ASP^F 81 23.08 43.10 -77.79 24.94 42.10 -77.55 24.01 42.60 -77.67 2 0 34.61 -999 ? MG MG F 301 >GLY^F 82 25.31 47.35 -77.27 25.53 46.57 -77.10 25.42 46.96 -77.18 1 0 33.28 -999 ? MG MG F 301 >SER^F 83 27.54 45.11 -75.18 28.33 43.06 -74.18 27.94 44.09 -74.68 2 0 33.16 -999 ? MG MG F 301 >VAL^F 84 31.10 46.56 -75.11 31.37 48.65 -74.27 31.24 47.60 -74.69 3 0 29.60 -999 ? MG MG F 301 >ASN^F 85 34.36 43.15 -75.19 36.11 42.05 -74.56 35.24 42.60 -74.87 2 0 27.49 -999 ? MG MG F 301 >LYS^F 86 37.89 45.97 -74.42 36.47 51.71 -72.79 37.18 48.84 -73.60 2 0 26.63 -999 ? MG MG F 301 >ARG^F 87 41.14 41.21 -77.31 42.93 41.07 -79.84 42.04 41.14 -78.58 2 0 20.27 -999 ? MG MG F 301 >THR^F 88 44.71 45.78 -74.10 45.06 46.44 -72.02 44.88 46.11 -73.06 2 0 23.06 -999 ? MG MG F 301 >GLY^F 89 48.22 45.17 -75.46 48.08 46.04 -75.34 48.15 45.60 -75.40 1 0 19.22 -999 ? MG MG F 301 >LYS^F 90 51.54 47.01 -75.58 55.05 50.31 -73.74 53.30 48.66 -74.66 2 0 18.57 -999 ? MG MG F 301 >ALA^F 91 53.65 47.28 -78.71 53.60 48.47 -79.59 53.63 47.87 -79.15 2 0 13.16 -999 ? MG MG F 301 >SER^F 92 57.23 46.17 -78.28 59.17 45.10 -79.10 58.20 45.64 -78.69 2 0 15.48 -999 ? MG MG F 301 >THR^F 93 59.88 48.90 -78.21 59.85 49.68 -76.20 59.87 49.29 -77.21 2 0 16.99 -999 ? MG MG F 301 >GLU^F 94 62.58 44.49 -81.43 64.13 42.92 -81.30 63.36 43.70 -81.37 2 0 17.06 -999 ? MG MG F 301 >ASN^F 95 61.81 48.42 -84.18 62.16 46.40 -84.52 61.98 47.41 -84.35 2 0 12.10 -999 ? MG MG F 301 >ILE^F 96 61.68 52.93 -80.57 60.58 53.38 -80.28 61.13 53.15 -80.43 3 0 13.49 -999 ? MG MG F 301 >VAL^F 97 66.34 53.03 -81.72 66.74 51.22 -82.97 66.54 52.12 -82.35 3 0 15.43 -999 ? MG MG F 301 >CYH^F 98 69.09 55.56 -81.88 70.41 57.83 -80.99 69.75 56.70 -81.44 2 0 20.19 -999 ? MG MG F 301 >THR^F 99 71.75 54.31 -84.19 71.11 53.07 -85.87 71.43 53.69 -85.03 2 0 17.65 -999 ? MG MG F 301 >ASP^F 100 74.18 55.53 -87.58 73.63 53.79 -88.67 73.90 54.66 -88.13 2 0 19.36 -999 ? MG MG F 301 >ILE^F 101 76.14 57.40 -82.12 75.55 57.65 -80.88 75.85 57.52 -81.50 3 0 24.36 -999 ? MG MG F 301 >VAL^F 102 79.26 59.39 -85.07 79.88 59.18 -87.15 79.57 59.29 -86.11 3 0 26.64 -999 ? MG MG F 301 >TRP^F 103 80.05 60.24 -80.06 79.17 63.82 -78.73 79.61 62.03 -79.39 3 0 29.78 -999 ? MG MG F 301 >ASN^F 104 83.41 64.36 -86.23 81.96 65.80 -86.83 82.69 65.08 -86.53 2 0 31.05 -999 ? MG MG F 301 >SER^F 105 85.11 67.66 -83.88 85.77 68.77 -85.94 85.44 68.22 -84.91 2 0 35.88 -999 ? MG MG F 301 >GLY^F 106 82.15 69.89 -84.82 82.03 69.23 -84.36 82.09 69.56 -84.59 1 0 33.62 -999 ? MG MG F 301 >GLY^F 107 79.49 67.91 -82.95 80.01 67.39 -83.35 79.75 67.65 -83.15 1 0 30.90 -999 ? MG MG F 301 >VAL^F 108 77.71 64.56 -83.43 76.61 63.66 -81.75 77.16 64.11 -82.59 3 0 27.30 -999 ? MG MG F 301 >GLN^F 109 75.85 63.74 -88.21 77.24 63.83 -89.82 76.54 63.78 -89.02 2 0 25.58 -999 ? MG MG F 301 >PHE^F 110 72.02 60.99 -83.27 70.61 63.10 -82.08 71.31 62.04 -82.68 3 0 21.65 -999 ? MG MG F 301 >LYS^F 111 69.70 58.57 -86.86 69.67 53.74 -90.29 69.68 56.16 -88.58 2 0 15.21 -999 ? MG MG F 301 >MET?F 112 66.53 57.97 -84.87 65.71 61.60 -82.66 66.12 59.79 -83.76 2 0 17.48 -999 ? MG MG F 301 >SER^F 113 64.29 55.28 -86.32 64.81 52.88 -86.66 64.55 54.08 -86.49 2 0 11.59 -999 ? MG MG F 301 >ALA^F 114 60.93 54.30 -84.85 60.06 55.37 -84.26 60.50 54.83 -84.56 2 0 10.19 -999 ? MG MG F 301 >SER^F 115 58.74 51.50 -86.07 58.73 49.57 -87.50 58.74 50.53 -86.79 2 0 6.67 -999 ? MG MG F 301 >ALA^F 116 55.95 50.15 -83.85 55.52 51.16 -82.84 55.74 50.66 -83.35 2 0 9.46 -999 ? MG MG F 301 >SER^F 117 53.22 47.67 -84.89 54.09 45.48 -84.70 53.66 46.58 -84.79 2 0 9.96 -999 ? MG MG F 301 >ASN^F 118 48.40 47.22 -84.16 46.70 46.61 -82.99 47.55 46.91 -83.57 2 0 13.34 -999 ? MG MG F 301 >PRO^F 119 49.63 46.31 -79.28 50.07 45.00 -81.03 49.85 45.65 -80.15 3 0 14.46 -999 ? MG MG F 301 >LEU^F 120 45.36 44.08 -80.73 44.95 44.37 -78.58 45.15 44.22 -79.66 3 0 17.58 -999 ? MG MG F 301 >ASN^F 121 46.01 43.34 -85.92 45.76 42.32 -87.80 45.89 42.83 -86.86 2 0 13.88 -999 ? MG MG F 301 >VAL^F 122 50.21 40.95 -85.93 51.47 39.11 -85.51 50.84 40.03 -85.72 3 0 14.14 -999 ? MG MG F 301 >TYR^F 123 48.54 39.40 -89.96 48.96 36.69 -89.29 48.75 38.05 -89.62 3 0 15.37 -999 ? MG MG F 301 >ALA^F 124 48.65 45.47 -89.39 48.08 46.19 -88.18 48.36 45.83 -88.78 2 0 9.67 -999 ? MG MG F 301 >PRO^F 125 49.74 48.21 -92.56 50.71 47.39 -90.72 50.23 47.80 -91.64 3 0 6.14 -999 ? MG MG F 301 >PRO^F 126 55.34 48.15 -89.40 53.37 49.17 -88.97 54.35 48.66 -89.19 3 0 -4.52 -999 ? MG MG F 301s >VAL^F 127 54.00 53.38 -88.03 53.14 54.62 -86.49 53.57 54.00 -87.26 3 0 5.47 -999 ? MG MG F 301 >ASP^F 128 57.76 53.73 -90.50 57.46 51.64 -90.28 57.61 52.68 -90.39 2 0 -3.41 -999 ? MG MG F 301s >TYR^F 129 59.69 58.61 -86.67 60.36 58.48 -83.96 60.03 58.54 -85.32 3 0 10.92 -999 ? MG MG F 301 >VAL^F 130 63.42 57.91 -89.52 64.07 56.72 -91.31 63.75 57.32 -90.42 3 0 10.67 -999 ? MG MG F 301 >LEU^F 131 64.89 61.59 -87.10 63.34 63.04 -87.61 64.12 62.32 -87.35 3 0 14.81 -999 ? MG MG F 301 >ASN^F 132 69.23 61.88 -90.93 69.10 59.95 -91.77 69.17 60.92 -91.35 2 0 16.48 -999 ? MG MG F 301 >VAL^F 133 70.03 64.57 -87.17 69.39 64.69 -85.09 69.71 64.63 -86.13 3 0 20.56 -999 ? MG MG F 301 >CYH^F 134 73.26 66.44 -86.89 75.26 68.05 -88.15 74.26 67.25 -87.52 2 0 26.42 -999 ? MG MG F 301 >VAL^F 135 73.92 68.43 -83.68 72.78 67.94 -81.89 73.35 68.19 -82.79 3 0 26.45 -999 ? MG MG F 301 >LYS^F 136 76.49 71.19 -83.39 78.38 70.88 -88.47 77.44 71.04 -85.93 2 0 30.53 -999 ? MG MG F 301 >LYS^F 137 78.53 72.20 -80.30 83.01 68.64 -79.79 80.77 70.42 -80.05 2 0 35.13 -999 ? MG MG F 301 >ASP^F 138 77.17 76.66 -81.48 76.14 76.33 -83.32 76.66 76.50 -82.40 2 0 33.51 -999 ? MG MG F 302 >GLY^F 139 73.42 74.00 -80.33 73.70 74.23 -81.03 73.56 74.12 -80.68 1 0 31.26 -999 ? MG MG F 301 >SER^F 140 72.45 74.17 -84.01 73.77 75.91 -85.04 73.11 75.04 -84.53 2 0 31.01 -999 ? MG MG F 302 >ILE^F 141 69.50 70.46 -84.73 68.46 70.27 -83.84 68.98 70.36 -84.29 3 0 24.60 -999 ? MG MG F 301 >ASP^F 142 71.46 69.88 -89.76 71.03 69.93 -91.81 71.24 69.91 -90.78 2 0 23.43 -999 ? MG MG F 302 >VAL^F 143 67.37 67.46 -89.48 66.03 67.03 -87.89 66.70 67.24 -88.69 3 0 19.37 -999 ? MG MG F 302 >GLN^F 144 68.06 66.27 -93.88 70.14 65.97 -94.00 69.10 66.12 -93.94 2 0 20.16 -999 ? MG MG F 302 >GLY^F 145 63.24 63.21 -91.82 63.24 63.42 -92.59 63.24 63.32 -92.21 1 0 13.40 -999 ? MG MG F 302 >GLU^F 146 61.95 60.17 -95.28 62.87 58.56 -96.19 62.41 59.37 -95.74 2 0 10.36 -999 ? MG MG F 302 >HIS^F 147 56.63 61.66 -91.16 55.69 63.43 -91.80 56.16 62.55 -91.48 3 0 8.79 -999 ? MG MG F 302 >ASP^F 148 53.64 56.47 -91.98 54.61 54.68 -92.64 54.12 55.57 -92.31 2 0 2.72 -999 ? MG MG F 301s >GLY^F 149 51.31 60.07 -93.46 51.26 59.51 -92.90 51.29 59.79 -93.18 1 0 5.34 -999 ? MG MG F 302 >PHE^F 150 47.10 57.70 -89.94 45.06 57.27 -88.04 46.08 57.49 -88.99 3 0 9.82 -999 ? MG MG F 302 >PRO^F 151 49.53 58.45 -85.68 49.14 59.11 -87.77 49.34 58.78 -86.73 3 0 10.22 -999 ? MG MG F 302 >CYH^F 152 50.28 62.76 -86.08 48.12 64.34 -85.77 49.20 63.55 -85.93 2 0 14.14 -999 ? MG MG F 302 >PHE^F 153 54.49 61.65 -87.43 53.89 59.08 -88.37 54.19 60.36 -87.90 3 0 9.26 -999 ? MG MG F 302 >GLU^F 154 54.57 65.67 -81.55 53.36 66.51 -80.09 53.96 66.09 -80.82 2 0 18.97 -999 ? MG MG F 301 >PHE^F 155 59.83 65.32 -85.14 59.10 62.92 -86.45 59.47 64.12 -85.80 3 0 14.54 -999 ? MG MG F 301 >TYR^F 156 58.80 69.55 -79.65 56.09 69.80 -80.15 57.45 69.67 -79.90 3 0 21.68 -999 ? MG MG F 302 >LYS^F 157 64.43 70.47 -79.54 68.32 74.80 -81.65 66.37 72.64 -80.60 2 0 28.36 -999 ? MG MG F 302 >GLN^F 158 64.61 71.63 -73.64 63.42 70.61 -72.23 64.01 71.12 -72.94 2 0 28.68 -999 ? MG MG F 301 >VAL^F 159 68.71 73.10 -75.22 69.68 74.58 -76.56 69.19 73.84 -75.89 3 0 30.90 -999 ? MG MG F 301 >ASP^F 160 71.27 74.59 -71.77 73.23 74.02 -72.37 72.25 74.30 -72.07 2 0 31.59 -999 ? MG MG E 302 >PHE^F 161 68.33 71.65 -68.19 70.12 69.57 -67.59 69.23 70.61 -67.89 3 0 25.66 -999 ? MG MG E 302 >GLY^F 162 65.47 75.75 -71.83 65.14 74.99 -71.88 65.30 75.37 -71.86 1 0 32.07 -999 ? MG MG E 302 >PRO^F 163 62.63 78.49 -73.36 62.76 76.25 -73.23 62.70 77.37 -73.30 3 0 32.66 -999 ? MG MG F 301 >PHE^F 164 60.03 71.53 -75.24 60.39 69.25 -73.67 60.21 70.39 -74.46 3 0 26.17 -999 ? MG MG F 301 >GLU^F 165 63.01 76.49 -79.50 64.84 77.22 -80.35 63.92 76.85 -79.92 2 0 29.11 -999 ? MG MG F 302 >LYS^F 166 59.28 73.05 -82.63 55.63 74.15 -86.94 57.45 73.60 -84.79 2 0 20.76 -999 ? MG MG F 302 >ILE^F 167 62.18 69.97 -85.06 63.39 69.24 -84.96 62.79 69.60 -85.01 3 0 20.22 -999 ? MG MG F 302 >TYR^F 168 58.29 68.32 -89.29 56.67 67.12 -91.21 57.48 67.72 -90.25 3 0 14.10 -999 ? MG MG F 302 >THR^F 169 54.83 68.79 -86.99 54.09 70.44 -85.82 54.46 69.62 -86.41 2 0 17.93 -999 ? MG MG F 302 >HIS^F 170 52.25 64.82 -90.91 50.95 63.88 -92.26 51.60 64.35 -91.58 3 0 9.84 -999 ? MG MG F 302 >ASP^F 171 48.23 68.08 -88.47 46.26 68.02 -87.56 47.25 68.05 -88.02 2 0 16.35 -999 ? MG MG F 302 >PHE^F 172 45.85 62.23 -89.68 43.95 61.55 -87.75 44.90 61.89 -88.71 3 0 12.43 -999 ? MG MG F 302 >ARG^F 173 43.18 65.58 -86.96 44.06 67.55 -84.65 43.62 66.57 -85.81 2 0 18.61 -999 ? MG MG F 302 >GLU^F 174 46.19 70.73 -90.91 44.19 71.42 -90.89 45.19 71.07 -90.90 2 0 18.79 -999 ? MG MG F 302 >THR^F 175 46.82 66.80 -95.29 48.97 66.65 -95.25 47.89 66.72 -95.27 2 0 11.83 -999 ? MG MG F 302 >GLY^F 176 43.85 64.48 -95.77 44.59 64.31 -95.63 44.22 64.39 -95.70 1 0 12.78 -999 ? MG MG F 302 >ASP^F 177 47.18 61.22 -94.50 48.48 62.32 -95.73 47.83 61.77 -95.11 2 0 8.15 -999 ? MG MG F 302 >THR^F 178 44.23 58.04 -93.68 42.69 56.98 -94.82 43.46 57.51 -94.25 2 0 10.42 -999 ? MG MG F 302 >ALA^F 179 44.99 54.95 -91.60 44.02 54.12 -90.83 44.51 54.54 -91.21 2 0 10.29 -999 ? MG MG F 302 >ALA^F 180 45.97 53.39 -94.93 45.23 53.59 -96.27 45.60 53.49 -95.60 2 0 8.00 -999 ? MG MG F 302 >ALA^F 181 49.03 55.67 -94.95 49.00 57.19 -94.78 49.02 56.43 -94.87 2 0 -4.41 -999 ? MG MG F 302s >LEU^F 182 49.69 52.80 -91.13 49.62 53.78 -89.21 49.66 53.29 -90.17 3 0 -5.58 -999 ? MG MG F 301s >GLY^F 183 51.40 50.96 -94.96 51.47 51.79 -95.11 51.44 51.38 -95.03 1 0 -4.39 -999 ? MG MG F 301s >GLY^F 184 53.59 51.24 -98.07 53.82 51.26 -97.25 53.70 51.25 -97.66 1 0 4.93 -999 ? MG MG F 302 >ASN^F 185 57.56 53.83 -98.77 57.78 52.28-100.18 57.67 53.05 -99.47 2 0 -7.32 -999 ? MG MG F 302s >MET?F 186 57.04 56.64 -95.61 60.08 56.35 -92.70 58.56 56.49 -94.15 2 0 6.96 -999 ? MG MG F 301 >ASP^F 187 53.93 58.87 -98.14 52.45 58.62 -96.61 53.19 58.75 -97.38 2 0 -3.27 -999 ? MG MG F 302s >TYR^F 188 54.23 63.50 -95.64 51.58 63.66 -96.35 52.91 63.58 -95.99 3 0 8.06 -999 ? MG MG F 302 >SER^F 189 59.91 63.90 -95.91 60.70 64.22 -98.13 60.30 64.06 -97.02 2 0 11.88 -999 ? MG MG F 302 >PHE^F 190 60.66 66.91 -91.97 61.14 65.56 -89.57 60.90 66.23 -90.77 3 0 14.21 -999 ? MG MG F 302 >THR^F 191 64.36 69.12 -93.82 65.88 69.37 -95.36 65.12 69.24 -94.59 2 0 18.93 -999 ? MG MG F 302 >LYS^F 192 64.82 71.59 -91.06 62.22 76.11 -88.75 63.52 73.85 -89.90 2 0 23.61 -999 ? MG MG F 302 >ARG^F 193 70.24 75.04 -91.81 72.97 73.73 -92.20 71.60 74.38 -92.00 2 0 27.27 -999 ? MG MG F 302 >LEU^F 194 66.65 74.64 -84.95 64.49 75.02 -84.72 65.57 74.83 -84.83 3 0 25.49 -999 ? MG MG F 302