REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-SEP-08 3EGL COMPND DEGV FAMILY PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 SYNONYM: UPF0230 PROTEIN CGL2349/CG2579; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; SOURCE 3 ORGANISM_COMMON: BREVIBACTERIUM FLAVUM; SOURCE 4 ORGANISM_TAXID: 196627; SOURCE 5 STRAIN: ATCC 13032; SOURCE 6 ATCC: 13032; SOURCE 7 GENE: CGL2349, CG2579; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR Y.KIM,C.TESAR,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 31 8 HET MLY A 70 11 HET MSE A 101 8 HET MSE A 108 8 HET MSE A 113 8 HET MLY A 115 11 HET MLY A 132 11 HET MLY A 148 11 HET MSE A 158 8 HET MSE A 169 8 HET MSE A 176 8 HET MLY A 181 11 HET MLY A 187 11 HET MLY A 191 11 HET MLY A 219 11 HET MSE A 236 8 HET MSE B 1 16 HET MSE B 31 8 HET MLY B 70 11 HET MSE B 101 8 HET MSE B 108 8 HET MSE B 113 8 HET MLY B 115 11 HET MLY B 132 11 HET MLY B 148 11 HET MSE B 158 8 HET MSE B 169 8 HET MSE B 176 8 HET MLY B 181 11 HET MLY B 187 11 HET MLY B 191 11 HET MLY B 219 11 HET MSE B 236 8 HET MSE C 1 8 HET MSE C 31 8 HET MLY C 70 11 HET MSE C 101 8 HET MSE C 108 8 HET MSE C 113 8 HET MLY C 115 11 HET MLY C 132 11 HET MLY C 148 11 HET MSE C 158 8 HET MSE C 169 8 HET MSE C 176 8 HET MLY C 181 11 HET MLY C 187 11 HET MLY C 191 11 HET MLY C 219 11 HET MSE C 236 8 HET PLM A 275 18 HET PLM B 275 18 HET PLM C 275 15 HET FMT C 276 3 SITE 1 AC1 13 THR A 39 SER A 40 GLY A 41 SER A 73 SITE 1 AC2 14 THR B 39 SER B 40 GLY B 41 LEU B 72 SITE 1 AC3 9 THR C 39 SER C 40 GLY C 41 LEU C 72 SITE 1 AC4 3 TRP C 147 ILE C 152 THR C 154 >ALA.A 0 43.31 13.02 67.81 42.12 12.14 67.32 42.72 12.58 67.56 2 0 10.04 -999 ? O MLY A 115 >MET?A 1 43.07 16.45 66.13 45.62 18.93 66.43 44.34 17.69 66.28 2 0 10.14 -999 ? O MLY A 115 >PRO.A 2 39.94 19.61 66.17 40.34 17.63 65.20 40.14 18.62 65.68 3 0 5.44 -999 ? CA MLY A 115 >VAL.A 3 38.62 16.72 61.33 37.09 15.49 60.42 37.86 16.11 60.88 3 0 7.04 -999 ? N MLY A 115 >ARG^A 4 42.92 20.85 59.38 42.59 23.80 60.18 42.76 22.33 59.78 2 0 10.33 -999 ? N MLY A 115 >VAL^A 5 36.77 21.25 56.79 34.66 21.36 57.38 35.72 21.31 57.08 3 0 8.88 -999 ? N MLY A 115 >ILE^A 6 38.60 22.10 52.54 40.09 22.08 52.07 39.34 22.09 52.31 3 0 14.41 -999 ? N MLY A 115 >VAL^A 7 35.15 24.59 50.98 33.76 25.75 52.32 34.45 25.17 51.65 3 0 13.23 -999 ? C3 PLM A 275 >ASP^A 8 35.65 26.18 46.50 33.67 25.74 45.81 34.66 25.96 46.15 2 0 7.44 -999 ? C3 PLM A 275 >SER.A 9 34.76 30.43 47.60 35.34 31.18 45.44 35.05 30.81 46.52 2 0 7.63 -999 ? C2 PLM A 275 >SER~A 10 31.39 29.57 46.02 31.20 27.25 45.35 31.30 28.41 45.69 2 0 6.45 -999 ? C3 PLM A 275 >ALA~A 11 30.12 28.55 49.50 30.81 27.69 50.61 30.47 28.12 50.06 2 0 9.06 -999 ? CF PLM A 275 >CYH~A 12 29.98 32.34 50.27 28.34 32.78 48.07 29.16 32.56 49.17 2 0 4.95 -999 ? CF PLM A 275 >LEU.A 13 31.94 31.01 54.58 31.32 29.17 55.46 31.63 30.09 55.02 3 0 12.17 -999 ? CF PLM A 275 >PRO~A 14 29.70 35.59 56.13 31.56 34.83 55.16 30.63 35.21 55.65 3 0 12.62 -999 ? CH2 MLY A 219 >THR~A 15 35.63 35.65 55.86 37.21 36.68 54.86 36.42 36.16 55.36 2 0 16.42 -999 ? CH1 MLY A 115 >HIS~A 16 33.54 37.56 60.42 31.46 37.77 60.27 32.50 37.67 60.34 3 0 12.87 -999 ? CH2 MLY A 219 >VAL~A 17 33.14 33.13 60.01 30.99 32.81 59.70 32.06 32.97 59.85 3 0 10.14 -999 ? CH1 MLY A 115 >ALA~A 18 35.46 30.85 57.99 35.88 31.04 56.53 35.67 30.94 57.26 2 0 12.08 -999 ? CH1 MLY A 115 >GLU~A 19 39.90 33.82 59.12 40.27 35.90 58.77 40.08 34.86 58.94 2 0 14.04 -999 ? CH1 MLY A 115 >ASP~A 20 35.01 32.54 63.74 34.45 32.50 65.77 34.73 32.52 64.75 2 0 5.83 -999 ? CH1 MLY A 115 >LEU~A 21 34.14 27.82 62.01 32.16 28.52 62.56 33.15 28.17 62.28 3 0 5.72 -999 ? CH1 MLY A 115 >ASP.A 22 39.39 26.38 62.21 41.41 25.91 61.88 40.40 26.15 62.05 2 0 9.09 -999 ? CD MLY A 115 >ILE^A 23 35.72 26.65 57.42 34.36 26.28 57.14 35.04 26.47 57.28 3 0 10.57 -999 ? CH1 MLY A 115 >THR^A 24 39.71 26.47 54.94 41.60 25.38 54.71 40.65 25.92 54.82 2 0 14.08 -999 ? N MLY A 115 >VAL^A 25 38.47 28.43 51.90 36.94 30.02 52.07 37.70 29.23 51.99 3 0 14.06 -999 ? C2 PLM A 275 >ILE^A 26 40.29 26.42 47.73 41.01 25.27 47.48 40.65 25.85 47.60 3 0 11.79 -999 ? C2 PLM A 275 >ASN.A 27 39.87 31.82 45.73 39.67 32.99 47.50 39.77 32.41 46.62 2 0 11.80 -999 ? C2 PLM A 275 >LEU.A 28 36.19 29.52 42.06 34.94 27.83 42.59 35.57 28.68 42.33 3 0 4.29 -999 ? C2 PLM A 275 >HIS^A 29 41.07 29.92 39.20 42.41 28.76 40.32 41.74 29.34 39.76 3 0 8.42 -999 ? C2 PLM A 275 >VAL^A 30 38.18 34.83 37.80 36.74 36.35 38.47 37.46 35.59 38.14 3 0 8.27 -999 ? C2 PLM A 275 >MET?A 31 40.08 35.68 34.60 39.96 31.92 34.25 40.02 33.80 34.43 2 0 7.44 -999 ? O2 PLM A 275 >ASN^A 32 39.85 40.41 34.63 38.71 42.15 34.13 39.28 41.28 34.38 2 0 12.15 -999 ? CH2 MLY A 148 >ASN.A 33 42.24 37.85 29.85 41.12 36.00 29.81 41.68 36.92 29.83 2 0 12.51 -999 ? O2 PLM A 275 >GLY.A 34 40.50 41.82 27.64 40.24 41.74 28.49 40.37 41.78 28.06 1 0 12.94 -999 ? CH2 MLY A 148 >GLU.A 35 36.76 43.92 25.73 35.40 44.14 24.08 36.08 44.03 24.90 2 0 9.77 -999 ? NZ MLY A 148 >GLU.A 36 33.42 39.46 27.49 32.54 41.28 28.23 32.98 40.37 27.86 2 0 5.05 -999 ? CH2 MLY A 148 >ARG^A 37 35.02 40.31 35.96 35.68 43.33 35.75 35.35 41.82 35.86 2 0 10.77 -999 ? CH2 MLY A 148 >SER^A 38 35.34 34.46 32.89 37.14 33.80 31.49 36.24 34.13 32.19 2 0 8.13 -999 ? O2 PLM A 275 >THR^A 39 35.70 31.77 35.48 33.67 31.97 36.27 34.69 31.87 35.88 2 0 -3.89 -999 ? O2 PLM A 275s >SER^A 40 37.34 28.47 36.08 39.49 27.61 35.59 38.42 28.04 35.84 2 0 -5.63 -999 ? O2 PLM A 275s >GLY.A 41 36.92 25.57 38.52 37.62 25.87 38.18 37.27 25.72 38.35 1 0 -3.78 -999 ? O1 PLM A 275s >LEU.A 42 39.57 23.95 42.19 39.54 25.47 43.74 39.55 24.71 42.97 3 0 8.33 -999 ? C2 PLM A 275 >SER~A 43 42.23 21.97 39.08 44.52 22.68 39.36 43.38 22.33 39.22 2 0 11.87 -999 ? O1 PLM A 275 >SER~A 44 43.07 18.63 40.65 43.89 17.16 38.97 43.48 17.89 39.81 2 0 11.17 -999 ? CH2 MLY B 148 >LEU~A 45 47.51 20.38 40.03 49.58 20.12 39.62 48.54 20.25 39.83 3 0 15.86 -999 ? CH2 MLY B 148 >GLU~A 46 45.03 24.71 41.69 43.47 26.13 41.31 44.25 25.42 41.50 2 0 10.60 -999 ? C2 PLM A 275 >LEU~A 47 41.93 19.84 44.80 39.99 20.84 44.75 40.96 20.34 44.78 3 0 12.16 -999 ? O1 PLM A 275 >ALA~A 48 45.97 17.91 45.90 46.87 17.23 44.89 46.42 17.57 45.39 2 0 16.55 -999 ? CH2 MLY B 148 >ALA~A 49 48.08 20.73 47.38 48.62 21.93 46.60 48.35 21.33 46.99 2 0 18.30 -999 ? C2 PLM A 275 >SER~A 50 45.26 22.19 49.31 43.32 23.45 49.57 44.29 22.82 49.44 2 0 15.54 -999 ? C2 PLM A 275 >TYR~A 51 42.23 17.96 49.25 39.81 18.45 47.93 41.02 18.21 48.59 3 0 14.46 -999 ? CB MLY A 70 >ALA~A 52 47.67 17.65 51.64 48.84 17.52 50.68 48.26 17.59 51.16 2 0 20.82 -999 ? N MLY A 115 >ARG~A 53 48.63 24.74 53.49 51.30 25.71 52.35 49.97 25.22 52.92 2 0 22.05 -999 ? N MLY A 115 >GLN~A 54 43.27 22.14 54.78 44.26 23.51 56.08 43.76 22.82 55.43 2 0 14.03 -999 ? N MLY A 115 >LEU~A 55 46.31 15.71 55.22 44.92 14.19 54.51 45.62 14.95 54.86 3 0 16.23 -999 ? N MLY A 115 >GLU~A 56 51.78 18.82 57.45 52.84 17.02 58.01 52.31 17.92 57.73 2 0 19.91 -999 ? N MLY A 115 >ARG~A 57 46.33 24.10 59.62 46.78 26.23 57.41 46.56 25.17 58.51 2 0 15.90 -999 ? N MLY A 115 >GLY~A 58 45.26 18.18 61.22 45.97 17.88 60.97 45.62 18.03 61.09 1 0 11.60 -999 ? N MLY A 115 >GLY.A 59 47.79 15.38 61.81 47.15 15.42 61.33 47.47 15.40 61.57 1 0 14.39 -999 ? N MLY A 115 >ASP.A 60 47.08 12.25 58.68 48.01 12.81 56.83 47.54 12.53 57.75 2 0 17.56 -999 ? N MLY A 115 >ASP.A 61 42.62 13.24 62.54 44.15 12.53 63.84 43.38 12.89 63.19 2 0 12.17 -999 ? N MLY A 115 >GLY.A 62 40.72 13.57 58.09 41.07 14.26 58.32 40.90 13.92 58.20 1 0 11.71 -999 ? N MLY A 115 >VAL^A 63 39.55 16.19 55.65 40.90 17.51 54.56 40.22 16.85 55.11 3 0 12.44 -999 ? N MLY A 115 >LEU^A 64 34.84 17.02 55.68 32.78 16.33 55.44 33.81 16.68 55.56 3 0 10.85 -999 ? N MLY A 115 >ALA^A 65 35.74 18.80 51.36 36.75 18.38 50.26 36.25 18.59 50.81 2 0 12.30 -999 ? N MLY A 70 >LEU^A 66 31.69 21.08 51.35 31.11 20.47 53.29 31.40 20.77 52.32 3 0 11.24 -999 ? N MLY A 132 >HIS.A 67 34.98 21.28 46.39 36.90 21.42 47.24 35.94 21.35 46.81 3 0 9.47 -999 ? N MLY A 70 >ILE.A 68 30.70 24.72 43.28 30.92 25.43 42.18 30.81 25.08 42.73 3 0 5.06 -999 ? C3 PLM A 275 >SER.A 69 27.85 21.15 42.47 25.89 20.75 41.06 26.87 20.95 41.77 2 0 3.10 -999 ? N MLY A 70 >GLU.A 71 24.69 19.10 38.46 24.64 17.12 38.01 24.67 18.11 38.23 2 0 4.06 -999 ? CG MLY A 70 >LEU.A 72 27.35 24.55 38.76 25.17 24.97 39.04 26.26 24.76 38.90 3 0 4.25 -999 ? C7 PLM A 275 >SER.A 73 31.58 23.25 37.71 33.38 24.22 39.00 32.48 23.74 38.35 2 0 -2.67 -999 ? O1 PLM A 275s >SER~A 74 34.46 20.87 36.94 36.35 22.26 36.21 35.40 21.57 36.58 2 0 5.12 -999 ? O1 PLM A 275 >THR~A 75 35.54 21.29 40.59 35.72 22.99 41.90 35.63 22.14 41.25 2 0 6.09 -999 ? O1 PLM A 275 >TRP~A 76 32.13 15.98 43.75 31.72 13.22 40.99 31.93 14.60 42.37 3 0 4.24 -999 ? CD MLY A 70 >SER~A 77 35.58 16.02 39.31 35.85 15.19 37.06 35.72 15.61 38.19 2 0 7.27 -999 ? CB MLY A 70 >ALA~A 78 38.99 17.60 40.17 39.38 19.05 40.00 39.18 18.33 40.08 2 0 9.77 -999 ? O1 PLM A 275 >ALA~A 79 38.33 17.00 43.88 37.12 17.54 44.61 37.72 17.27 44.25 2 0 8.96 -999 ? CB MLY A 70 >VAL~A 80 37.71 13.24 43.46 35.72 12.89 42.46 36.72 13.07 42.96 3 0 8.92 -999 ? CB MLY A 70 >THR~A 81 40.90 12.94 41.38 41.38 13.35 39.31 41.14 13.14 40.35 2 0 8.46 -999 ? CH2 MLY B 148 >ALA~A 82 42.91 14.80 44.12 42.87 16.28 44.52 42.89 15.54 44.32 2 0 14.18 -999 ? CB MLY A 70 >ALA~A 83 41.28 12.81 46.94 39.81 12.76 47.28 40.54 12.78 47.11 2 0 13.48 -999 ? CB MLY A 70 >ALA~A 84 42.34 9.50 45.32 41.88 9.01 43.96 42.11 9.25 44.64 2 0 12.05 -999 ? CH2 MLY B 148 >VAL.A 85 45.94 10.55 45.76 47.33 12.21 45.28 46.64 11.38 45.52 3 0 15.08 -999 ? CH2 MLY B 148 >PHE.A 86 45.59 12.51 50.08 46.47 15.09 49.16 46.03 13.80 49.62 3 0 19.08 -999 ? CH2 MLY B 148 >ASP.A 87 45.75 6.59 53.00 47.85 6.47 53.07 46.80 6.53 53.03 2 0 20.41 -999 ? C2 PLM B 275 >ASP.A 88 41.40 3.98 51.68 39.43 3.50 51.04 40.42 3.74 51.36 2 0 14.27 -999 ? CE PLM B 275 >ASP.A 89 38.23 7.02 53.78 36.43 8.12 54.28 37.33 7.57 54.03 2 0 13.58 -999 ? CH2 MLY B 219 >SER.A 90 41.74 10.48 54.32 43.97 9.55 54.19 42.85 10.01 54.25 2 0 18.17 -999 ? N MLY A 115 >VAL^A 91 39.82 12.95 52.24 40.75 14.47 50.94 40.29 13.71 51.59 3 0 16.31 -999 ? CB MLY A 70 >ARG^A 92 33.46 10.81 52.53 32.67 8.72 54.65 33.06 9.77 53.59 2 0 10.22 -999 ? CH2 MLY B 219 >VAL^A 93 34.52 14.69 49.11 35.44 15.15 47.16 34.98 14.92 48.14 3 0 10.18 -999 ? CB MLY A 70 >VAL^A 94 30.84 15.54 49.72 29.82 16.53 51.44 30.33 16.04 50.58 3 0 10.19 -999 ? N MLY A 132 >ASP.A 95 28.33 14.09 45.75 27.70 14.48 43.75 28.02 14.28 44.75 2 0 3.17 -999 ? NZ MLY A 70 >THR.A 96 26.85 18.52 47.22 28.19 20.22 47.36 27.52 19.37 47.29 2 0 6.41 -999 ? N MLY A 70 >SER.A 97 24.49 19.21 44.26 23.75 16.99 43.63 24.12 18.10 43.95 2 0 5.25 -999 ? CE MLY A 70 >SER.A 98 24.45 22.77 45.53 23.28 23.78 47.39 23.86 23.28 46.46 2 0 7.28 -999 ? CG PLM A 275 >LEU.A 99 26.52 26.63 44.46 24.91 27.52 43.27 25.72 27.08 43.86 3 0 4.67 -999 ? CF PLM A 275 >GLY~A 100 26.44 29.04 48.11 26.54 28.26 48.39 26.49 28.65 48.25 1 0 4.20 -999 ? CF PLM A 275 >MET?A 101 25.40 29.08 51.73 27.26 30.78 53.98 26.33 29.93 52.85 2 0 8.92 -999 ? CG PLM A 275 >ALA~A 102 23.46 25.77 51.58 22.57 25.16 50.51 23.01 25.47 51.05 2 0 7.38 -999 ? CG PLM A 275 >VAL~A 103 27.03 24.39 51.26 28.17 23.74 49.55 27.60 24.07 50.40 3 0 9.22 -999 ? CG PLM A 275 >GLY~A 104 28.48 26.99 53.65 27.87 26.42 53.70 28.18 26.71 53.68 1 0 10.05 -999 ? CG PLM A 275 >ALA~A 105 25.78 25.90 56.14 24.21 25.95 55.97 25.00 25.92 56.05 2 0 9.46 -999 ? N MLY A 132 >ALA~A 106 26.68 22.21 55.74 26.60 21.39 54.44 26.64 21.80 55.09 2 0 7.26 -999 ? N MLY A 132 >ALA~A 107 30.30 23.19 56.29 31.14 24.10 55.40 30.72 23.64 55.84 2 0 11.77 -999 ? N MLY A 115 >MET?A 108 29.55 25.13 59.49 27.76 28.92 58.54 28.66 27.02 59.01 2 0 11.42 -999 ? CH1 MLY A 115 >ALA~A 109 27.56 22.20 60.89 26.22 21.62 60.35 26.89 21.91 60.62 2 0 10.29 -999 ? N MLY A 115 >ALA~A 110 30.42 19.86 59.97 30.85 19.51 58.53 30.64 19.69 59.25 2 0 8.31 -999 ? N MLY A 115 >ALA~A 111 33.08 22.21 61.51 33.38 23.64 61.08 33.23 22.93 61.30 2 0 6.11 -999 ? N MLY A 115 >ARG~A 112 30.38 24.23 67.10 30.80 22.98 69.88 30.59 23.61 68.49 2 0 4.43 -999 ? CG MLY A 115 >MET?A 113 30.85 18.73 65.01 27.96 16.97 65.54 29.41 17.85 65.27 2 0 7.50 -999 ? N MLY A 115 >ALA~A 114 34.55 18.33 64.15 35.31 18.95 62.95 34.93 18.64 63.55 2 0 3.13 -999 ? N MLY A 115 >ASP~A 116 32.04 18.00 69.55 31.00 19.72 70.22 31.52 18.86 69.88 2 0 4.49 -999 ? C MLY A 115 >GLY.A 117 35.84 15.38 68.16 35.14 15.51 67.81 35.49 15.45 67.98 1 0 4.51 -999 ? C MLY A 115 >ALA.A 118 33.32 13.83 65.72 32.15 14.53 65.05 32.73 14.18 65.38 2 0 6.18 -999 ? N MLY A 115 >SER~A 119 34.76 11.31 63.24 33.16 9.60 62.75 33.96 10.45 63.00 2 0 11.02 -999 ? N MLY A 115 >LEU~A 120 36.21 11.53 58.58 36.85 12.47 56.67 36.53 12.00 57.63 3 0 11.63 -999 ? N MLY A 115 >GLN~A 121 30.50 7.68 58.77 30.11 7.73 56.65 30.31 7.71 57.71 2 0 7.55 -999 ? CH2 MLY B 219 >GLU~A 122 30.06 10.22 63.45 30.81 9.98 65.47 30.44 10.10 64.46 2 0 10.84 -999 ? N MLY A 115 >CYH~A 123 31.00 15.12 60.06 33.09 16.00 61.64 32.04 15.56 60.85 2 0 6.07 -999 ? N MLY A 115 >TYR~A 124 30.03 12.06 54.71 28.70 11.47 52.29 29.37 11.77 53.50 3 0 8.91 -999 ? CG MLY B 219 >ASP~A 125 26.31 11.58 58.70 26.95 9.69 58.09 26.63 10.64 58.40 2 0 6.82 -999 ? CH2 MLY B 219 >ILE~A 126 26.71 16.71 60.49 25.68 16.87 61.53 26.20 16.79 61.01 3 0 10.38 -999 ? N MLY A 115 >ALA~A 127 26.95 17.89 56.18 28.40 17.89 55.60 27.68 17.89 55.89 2 0 8.52 -999 ? N MLY A 132 >VAL~A 128 24.88 15.57 53.94 25.17 13.60 53.01 25.03 14.58 53.47 3 0 5.77 -999 ? N MLY A 132 >ASP~A 129 21.70 15.39 57.58 19.69 15.36 58.21 20.69 15.38 57.89 2 0 5.50 -999 ? CB MLY A 132 >THR~A 130 22.10 19.74 56.22 23.26 21.27 57.24 22.68 20.50 56.73 2 0 6.45 -999 ? N MLY A 132 >LEU~A 131 23.27 19.25 51.47 25.04 20.26 50.86 24.16 19.75 51.16 3 0 4.24 -999 ? N MLY A 132 >ARG~A 133 16.58 18.36 57.58 18.77 19.78 59.17 17.68 19.07 58.37 2 0 6.87 -999 ? C MLY A 132 >SER^A 134 18.28 22.94 52.12 20.39 22.63 50.89 19.34 22.79 51.50 2 0 4.88 -999 ? N MLY A 132 >GLU^A 135 14.49 24.24 49.67 14.23 22.68 48.25 14.36 23.46 48.96 2 0 6.56 -999 ? O MLY A 132 >THR^A 136 18.67 27.62 47.09 20.87 27.57 46.87 19.77 27.59 46.98 2 0 -4.26 -999 ? CG PLM A 275s >TRP^A 137 13.54 29.23 45.06 13.11 28.11 48.82 13.33 28.67 46.94 3 0 7.09 -999 ? O MLY A 191 >ILE^A 138 19.49 32.89 42.26 20.82 32.61 41.92 20.16 32.75 42.09 3 0 -3.97 -999 ? CD PLM A 275s >TYR^A 139 15.84 38.84 42.30 15.21 41.23 40.92 15.52 40.04 41.61 3 0 7.93 -999 ? C MLY A 187 >LEU.A 140 18.51 36.90 37.69 19.81 35.14 37.89 19.16 36.02 37.79 3 0 6.90 -999 ? CB PLM A 275 >HIS.A 141 18.29 43.87 39.06 17.44 45.77 39.05 17.87 44.82 39.06 3 0 11.44 -999 ? N MLY A 187 >ARG.A 142 21.86 42.94 33.38 24.53 44.48 33.55 23.20 43.71 33.46 2 0 7.11 -999 ? CH2 MLY A 148 >ILE~A 143 18.22 36.96 32.17 17.28 36.84 31.52 17.75 36.90 31.84 3 0 7.94 -999 ? N MLY A 148 >ASP~A 144 22.94 40.14 30.50 24.22 40.42 28.83 23.58 40.28 29.67 2 0 2.93 -999 ? CH1 MLY A 148 >GLU~A 145 26.42 38.89 33.69 25.17 40.62 33.70 25.80 39.76 33.70 2 0 5.22 -999 ? CH2 MLY A 148 >ILE~A 146 21.82 33.63 34.40 21.56 32.96 34.86 21.69 33.29 34.63 3 0 5.99 -999 ? N MLY A 148 >TRP~A 147 21.99 33.99 26.54 19.40 31.01 26.36 20.69 32.50 26.45 3 0 5.17 -999 ? N MLY A 148 >SER~A 149 27.19 31.23 31.68 25.48 30.50 33.17 26.34 30.87 32.42 2 0 4.28 -999 ? C MLY A 148 >GLY.A 150 26.24 27.96 29.96 25.93 28.19 30.68 26.09 28.08 30.32 1 0 4.55 -999 ? O MLY A 148 >ARG.A 151 27.39 27.41 34.27 30.42 27.73 34.38 28.90 27.57 34.33 2 0 -4.01 -999 ? O2 PLM A 275s >ILE.A 152 20.28 28.42 31.22 19.38 28.83 32.28 19.83 28.62 31.75 3 0 7.47 -999 ? N MLY A 148 >SER.A 153 20.12 23.97 29.69 18.26 22.74 30.61 19.19 23.36 30.15 2 0 12.17 -999 ? CH1 MLY B 187 >THR.A 154 18.18 24.46 26.44 19.43 23.76 24.83 18.81 24.11 25.63 2 0 12.27 -999 ? N MLY A 148 >ALA.A 155 15.46 22.24 27.89 15.71 20.92 28.61 15.58 21.58 28.25 2 0 9.77 -999 ? CH1 MLY B 187 >THR.A 156 15.16 24.97 30.58 16.10 25.24 32.57 15.63 25.10 31.57 2 0 9.91 -999 ? CG MLY A 181 >ALA.A 157 15.26 27.88 28.07 15.54 29.18 28.88 15.40 28.53 28.48 2 0 8.36 -999 ? CD MLY A 181 >MET?A 158 15.91 27.74 24.31 13.46 25.36 22.08 14.69 26.55 23.20 2 0 11.62 -999 ? CH2 MLY A 181 >VAL~A 159 16.21 31.51 24.02 15.33 32.58 22.32 15.77 32.04 23.17 3 0 9.58 -999 ? CH2 MLY A 181 >SER~A 160 16.98 34.01 26.84 17.68 36.10 25.80 17.33 35.05 26.32 2 0 8.22 -999 ? N MLY A 148 >THR~A 161 13.39 35.32 26.33 12.36 36.11 24.59 12.88 35.72 25.46 2 0 6.64 -999 ? CH2 MLY A 181 >ALA~A 162 12.13 32.09 27.99 12.47 30.64 27.51 12.30 31.36 27.75 2 0 5.24 -999 ? CH2 MLY A 181 >LEU~A 163 15.06 33.54 31.55 16.73 32.20 31.73 15.89 32.87 31.64 3 0 7.26 -999 ? CG MLY A 181 >ALA~A 164 11.48 36.38 31.58 10.55 36.13 32.81 11.02 36.25 32.19 2 0 3.68 -999 ? C MLY A 181 >THR.A 165 13.31 39.48 32.77 11.95 40.92 31.89 12.63 40.20 32.33 2 0 7.46 -999 ? O MLY A 181 >ARG.A 166 13.01 42.38 36.49 14.58 44.12 34.58 13.80 43.25 35.53 2 0 10.86 -999 ? C MLY A 181 >PRO.A 167 15.05 35.00 35.91 13.43 36.04 37.07 14.24 35.52 36.49 3 0 5.71 -999 ? CA MLY A 181 >ILE^A 168 12.48 33.18 41.67 13.04 33.89 42.79 12.76 33.54 42.23 3 0 5.62 -999 ? CG MLY A 191 >MET?A 169 15.83 30.54 39.76 16.25 31.36 36.41 16.04 30.95 38.08 2 0 7.76 -999 ? N MLY A 181 >ARG^A 170 13.18 25.37 43.04 13.14 23.30 45.27 13.16 24.34 44.16 2 0 9.36 -999 ? O MLY A 132 >PHE^A 171 20.81 25.61 42.17 22.30 27.73 41.03 21.55 26.67 41.60 3 0 5.85 -999 ? CA PLM A 275 >ASN^A 172 15.65 20.96 41.46 14.19 21.34 42.97 14.92 21.15 42.21 2 0 10.01 -999 ? O MLY A 132 >GLY.A 173 19.10 17.91 41.49 19.33 18.72 41.45 19.22 18.32 41.47 1 0 8.35 -999 ? CH2 MLY A 70 >GLY.A 174 22.22 20.09 41.01 21.50 20.27 40.73 21.86 20.18 40.87 1 0 6.50 -999 ? N MLY A 70 >ARG^A 175 20.99 21.67 34.30 23.99 20.91 34.09 22.49 21.29 34.20 2 0 6.50 -999 ? O MLY A 70 >MET?A 176 19.39 25.14 37.43 20.60 28.27 38.66 20.00 26.71 38.05 2 0 5.04 -999 ? CA PLM A 275 >GLU^A 177 15.28 23.21 37.40 13.90 21.77 38.13 14.59 22.49 37.76 2 0 12.31 -999 ? CG MLY A 181 >ILE^A 178 12.45 29.09 35.37 12.28 29.98 34.25 12.36 29.53 34.81 3 0 4.46 -999 ? CG MLY A 181 >ALA^A 179 11.06 28.81 39.82 11.69 29.00 41.20 11.38 28.90 40.51 2 0 6.58 -999 ? CG MLY A 191 >ALA^A 180 9.07 31.85 38.60 8.70 32.69 39.81 8.88 32.27 39.20 2 0 3.39 -999 ? N MLY A 181 >THR.A 182 8.72 37.12 37.20 9.00 36.67 39.28 8.86 36.89 38.24 2 0 3.89 -999 ? C MLY A 181 >ARG.A 183 7.14 39.81 32.47 8.18 37.79 30.34 7.66 38.80 31.41 2 0 4.85 -999 ? CH2 MLY A 181 >THR~A 184 9.58 42.93 38.56 7.55 43.80 38.76 8.57 43.36 38.66 2 0 4.26 -999 ? CB MLY A 187 >GLN~A 185 13.35 43.53 43.47 14.87 44.93 43.98 14.11 44.23 43.73 2 0 8.27 -999 ? N MLY A 187 >SER~A 186 8.56 43.29 43.85 8.11 45.63 44.14 8.33 44.46 44.00 2 0 4.38 -999 ? N MLY A 187 >ALA~A 188 9.92 38.25 42.28 11.26 38.57 41.61 10.59 38.41 41.95 2 0 3.74 -999 ? C MLY A 187 >PHE~A 189 12.23 40.67 46.51 14.89 41.61 46.20 13.56 41.14 46.35 3 0 7.25 -999 ? N MLY A 187 >ALA~A 190 6.82 38.26 46.77 5.56 39.00 46.21 6.19 38.63 46.49 2 0 3.21 -999 ? N MLY A 191 >LEU~A 192 11.54 34.73 46.57 13.42 33.72 46.70 12.48 34.23 46.64 3 0 4.55 -999 ? C MLY A 191 >VAL~A 193 8.76 34.67 50.06 8.46 36.52 51.29 8.61 35.59 50.68 3 0 5.19 -999 ? C MLY A 191 >GLU~A 194 3.54 32.08 47.83 2.26 32.50 46.18 2.90 32.29 47.01 2 0 4.06 -999 ? NZ MLY A 191 >LEU~A 195 8.87 29.43 46.89 8.35 29.18 44.72 8.61 29.31 45.80 3 0 3.75 -999 ? O MLY A 191 >ALA~A 196 10.03 29.66 51.23 11.00 30.77 51.64 10.51 30.22 51.44 2 0 6.69 -999 ? O MLY A 191 >GLN~A 197 5.10 31.22 54.55 3.70 32.81 54.69 4.40 32.02 54.62 2 0 9.35 -999 ? O MLY A 191 >ILE~A 198 4.97 26.60 50.35 3.58 26.69 50.08 4.28 26.65 50.21 3 0 8.17 -999 ? O MLY A 191 >ARG~A 199 10.77 23.03 51.03 12.43 21.31 52.97 11.60 22.17 52.00 2 0 5.70 -999 ? O MLY A 132 >ALA~A 200 9.05 26.06 55.87 8.87 27.48 56.35 8.96 26.77 56.11 2 0 11.55 -999 ? O MLY A 191 >ASP~A 201 6.01 22.84 56.28 4.32 21.60 56.52 5.17 22.22 56.40 2 0 13.94 -999 ? O MLY A 132 >GLY.A 202 5.25 26.17 59.98 5.95 25.90 59.76 5.60 26.03 59.87 1 0 15.51 -999 ? O MLY A 191 >GLU.A 203 8.38 22.96 61.04 8.45 21.97 62.86 8.42 22.47 61.95 2 0 14.38 -999 ? O MLY A 132 >PRO.A 204 11.65 26.68 63.97 11.07 27.44 61.94 11.36 27.06 62.96 3 0 15.26 -999 ? O MLY A 132 >VAL.A 205 14.13 28.16 59.09 13.23 28.41 57.10 13.68 28.28 58.09 3 0 12.33 -999 ? C MLY A 132 >PHE^A 206 20.26 28.97 59.15 22.76 30.13 58.62 21.51 29.55 58.88 3 0 13.11 -999 ? CG PLM A 275 >ILE^A 207 17.17 32.73 55.89 16.40 32.37 54.59 16.79 32.55 55.24 3 0 11.30 -999 ? O MLY A 219 >ALA^A 208 21.39 33.21 54.44 22.62 32.35 54.27 22.00 32.78 54.36 2 0 8.45 -999 ? CG PLM A 275 >ILE^A 209 19.75 37.19 52.43 18.58 37.84 52.45 19.16 37.51 52.44 3 0 6.27 -999 ? N MLY A 219 >GLY^A 210 23.35 36.70 49.47 22.59 37.06 49.37 22.97 36.88 49.42 1 0 6.72 -999 ? CE PLM A 275 >GLN^A 211 24.17 41.69 49.11 25.72 42.85 48.15 24.94 42.27 48.63 2 0 8.38 -999 ? N MLY A 219 >ASN^A 212 26.23 40.22 43.42 27.75 41.13 42.27 26.99 40.67 42.85 2 0 9.10 -999 ? CC PLM A 275 >GLU.A 213 27.42 45.53 42.85 28.07 45.85 40.91 27.75 45.69 41.88 2 0 13.09 -999 ? CH2 MLY A 148 >ALA~A 214 22.07 44.65 45.81 21.41 43.45 45.17 21.74 44.05 45.49 2 0 7.42 -999 ? N MLY A 219 >ARG~A 215 26.07 46.72 50.64 28.48 44.81 50.74 27.27 45.77 50.69 2 0 9.59 -999 ? CG MLY A 219 >GLU~A 216 18.08 49.78 49.67 19.09 50.51 51.40 18.58 50.15 50.54 2 0 5.45 -999 ? CB MLY A 219 >ALA~A 217 17.31 44.97 47.88 17.55 44.57 46.44 17.43 44.77 47.16 2 0 5.56 -999 ? N MLY A 219 >ALA~A 218 18.66 42.15 50.04 20.13 41.71 50.13 19.40 41.93 50.09 2 0 3.24 -999 ? N MLY A 219 >GLN~A 220 13.76 46.80 50.54 14.38 47.82 48.74 14.07 47.31 49.64 2 0 5.89 -999 ? C MLY A 219 >LEU~A 221 14.70 40.06 50.00 14.27 38.09 49.25 14.49 39.08 49.62 3 0 6.30 -999 ? C MLY A 219 >GLU~A 222 16.62 39.82 56.52 18.21 40.77 57.56 17.42 40.29 57.04 2 0 3.08 -999 ? NZ MLY A 219 >GLU~A 223 11.71 44.29 57.23 12.60 43.58 59.01 12.15 43.93 58.12 2 0 5.81 -999 ? O MLY A 219 >LEU~A 224 9.77 40.41 52.30 8.74 41.83 50.98 9.26 41.12 51.64 3 0 7.07 -999 ? O MLY A 219 >LEU~A 225 12.44 36.40 54.49 13.00 35.31 52.61 12.72 35.86 53.55 3 0 8.30 -999 ? O MLY A 219 >ARG~A 226 13.62 40.34 60.35 16.06 38.98 61.62 14.84 39.66 60.99 2 0 7.00 -999 ? CH1 MLY A 219 >ASN~A 227 6.71 39.95 57.71 7.61 41.86 58.02 7.16 40.90 57.86 2 0 9.01 -999 ? O MLY A 219 >ALA~A 228 6.47 35.70 56.56 6.50 35.69 55.06 6.49 35.69 55.81 2 0 9.33 -999 ? O MLY A 191 >LEU~A 229 10.11 32.80 57.80 10.69 32.23 55.76 10.40 32.51 56.78 3 0 10.90 -999 ? O MLY A 191 >PRO.A 230 7.64 29.05 59.96 7.94 31.17 60.58 7.79 30.11 60.27 3 0 14.31 -999 ? O MLY A 191 >GLU.A 231 7.04 34.05 65.64 5.58 34.03 67.18 6.31 34.04 66.41 2 0 19.12 -999 ? O MLY A 219 >GLY.A 232 12.37 31.81 65.70 12.20 31.96 64.92 12.28 31.88 65.31 1 0 16.03 -999 ? CH1 MLY A 219 >SER.A 233 13.91 31.77 62.19 12.23 31.02 60.62 13.07 31.40 61.41 2 0 14.68 -999 ? O MLY A 219 >SER^A 234 17.43 33.19 61.89 18.80 31.28 62.44 18.11 32.23 62.17 2 0 12.71 -999 ? CH2 MLY A 219 >PHE^A 235 16.51 36.13 58.75 13.84 35.24 58.50 15.17 35.68 58.63 3 0 9.08 -999 ? NZ MLY A 219 >MET?A 236 22.40 35.85 58.05 25.33 32.92 58.09 23.87 34.39 58.07 2 0 10.98 -999 ? CH2 MLY A 219 >SER^A 237 23.81 38.21 55.36 22.75 40.28 55.87 23.28 39.24 55.61 2 0 3.92 -999 ? CH2 MLY A 219 >VAL^A 238 26.50 37.11 52.89 26.22 34.90 52.90 26.36 36.01 52.90 3 0 9.11 -999 ? CG PLM A 275 >ASP^A 239 29.51 39.19 49.84 29.46 40.95 50.96 29.49 40.07 50.40 2 0 10.95 -999 ? CE MLY A 219 >ILE.A 240 26.86 36.66 45.57 25.73 36.31 44.76 26.30 36.49 45.16 3 0 4.49 -999 ? CE PLM A 275 >ASP~A 241 31.63 33.55 45.67 33.56 33.10 44.80 32.59 33.33 45.23 2 0 7.65 -999 ? C3 PLM A 275 >PRO~A 242 34.28 38.25 44.62 32.69 36.96 43.63 33.48 37.60 44.12 3 0 10.11 -999 ? CC PLM A 275 >THR~A 243 33.23 34.11 40.89 34.62 32.46 40.95 33.93 33.28 40.92 2 0 4.86 -999 ? C2 PLM A 275 >LEU~A 244 28.69 33.02 42.18 28.94 31.00 43.02 28.81 32.01 42.60 3 0 -3.82 -999 ? CC PLM A 275s >ALA~A 245 28.83 37.31 40.52 29.42 38.45 41.32 29.12 37.88 40.92 2 0 7.43 -999 ? CC PLM A 275 >VAL~A 246 30.38 36.94 37.10 32.30 36.36 36.25 31.34 36.65 36.68 3 0 7.62 -999 ? C4 PLM A 275 >HIS~A 247 28.95 32.65 35.69 30.71 32.03 34.72 29.83 32.34 35.21 3 0 -4.16 -999 ? C6 PLM A 275s >SER~A 248 24.65 36.13 38.26 25.48 37.08 40.36 25.06 36.60 39.31 2 0 -4.62 -999 ? CB PLM A 275s >GLY~A 249 25.26 39.73 37.18 25.21 39.47 37.97 25.24 39.60 37.58 1 0 7.91 -999 ? CB PLM A 275 >PRO.A 250 25.40 44.10 37.37 24.90 42.39 38.80 25.15 43.24 38.08 3 0 9.81 -999 ? CH2 MLY A 148 >GLY.A 251 21.58 43.25 41.46 21.98 42.55 41.46 21.78 42.90 41.46 1 0 10.95 -999 ? N MLY A 219 >ALA^A 252 21.35 39.52 42.19 22.25 38.45 41.60 21.80 38.98 41.90 2 0 6.42 -999 ? CB PLM A 275 >VAL^A 253 19.98 38.32 45.50 18.87 39.77 46.72 19.42 39.04 46.11 3 0 7.51 -999 ? N MLY A 219 >SER^A 254 20.19 34.67 46.68 22.50 34.27 47.49 21.35 34.47 47.08 2 0 -3.77 -999 ? CG PLM A 275s >VAL^A 255 18.27 32.92 49.47 16.24 33.39 50.18 17.26 33.15 49.83 3 0 7.53 -999 ? CG PLM A 275 >SER^A 256 19.96 29.81 50.94 22.19 30.30 50.03 21.08 30.06 50.49 2 0 4.26 -999 ? CG PLM A 275 >ALA^A 257 17.69 28.13 53.42 16.22 28.35 53.11 16.95 28.24 53.27 2 0 10.33 -999 ? C MLY A 132 >VAL^A 258 17.97 25.13 55.72 19.88 24.36 56.56 18.93 24.74 56.14 3 0 7.52 -999 ? C MLY A 132 >PHE.A 259 13.43 24.57 54.74 13.10 26.74 52.94 13.27 25.65 53.84 3 0 8.65 -999 ? O MLY A 132 >ALA.A 260 13.27 21.36 59.53 11.95 21.56 60.28 12.61 21.46 59.90 2 0 10.32 -999 ? O MLY A 132 >ASN.A 261 11.03 18.16 57.03 10.27 17.92 58.95 10.65 18.04 57.99 2 0 9.70 -999 ? O MLY A 132 >GLN.A 262 14.86 15.32 53.64 15.30 13.28 54.16 15.08 14.30 53.90 2 0 3.20 -999 ? CH2 MLY A 132 >ALA.A 263 11.68 18.59 50.50 12.37 18.36 49.12 12.02 18.47 49.81 2 0 5.49 -999 ? O MLY A 132 >SER.B -2 38.92 -30.42 59.14 40.89 -30.32 60.55 39.90 -30.37 59.84 2 0 9.12 -999 ? O MLY B 115 >ASN.B -1 36.10 -29.50 63.07 34.37 -30.52 62.34 35.24 -30.01 62.70 2 0 6.29 -999 ? O MLY B 115 >ALA.B 0 40.31 -28.11 63.78 41.19 -29.18 64.36 40.75 -28.64 64.07 2 0 9.16 -999 ? O MLY B 115 >MET?B 1 42.22 -26.96 60.66 46.13 -28.81 61.25 44.18 -27.88 60.96 2 0 12.89 -999 ? O MLY B 115 >PRO.B 2 39.20 -23.90 60.05 40.07 -25.58 58.82 39.63 -24.74 59.43 3 0 5.59 -999 ? CA MLY B 115 >VAL.B 3 39.83 -24.79 54.50 38.82 -25.57 52.70 39.32 -25.18 53.60 3 0 7.09 -999 ? N MLY B 115 >ARG^B 4 43.54 -21.13 56.35 43.42 -18.42 57.76 43.48 -19.77 57.05 2 0 7.44 -999 ? CH2 MLY B 115 >VAL^B 5 39.40 -18.95 51.43 37.17 -18.85 51.21 38.29 -18.90 51.32 3 0 8.78 -999 ? N MLY B 115 >ILE^B 6 42.75 -16.72 48.85 44.29 -16.63 49.03 43.52 -16.67 48.94 3 0 13.97 -999 ? CH2 MLY B 115 >VAL^B 7 39.97 -13.52 47.29 38.14 -12.84 48.37 39.06 -13.18 47.83 3 0 13.00 -999 ? CG PLM B 275 >ASP^B 8 42.01 -10.44 44.17 40.47 -10.41 42.71 41.24 -10.43 43.44 2 0 7.57 -999 ? C2 PLM B 275 >SER.B 9 40.48 -6.98 46.48 41.99 -5.50 45.33 41.23 -6.24 45.90 2 0 7.99 -999 ? C2 PLM B 275 >SER~B 10 38.03 -6.80 43.51 38.41 -8.53 41.82 38.22 -7.66 42.66 2 0 6.77 -999 ? C4 PLM B 275 >ALA~B 11 35.62 -8.89 45.60 35.91 -10.14 46.47 35.77 -9.51 46.03 2 0 8.55 -999 ? CG PLM B 275 >CYH~B 12 35.04 -5.62 47.51 34.40 -4.26 45.14 34.72 -4.94 46.33 2 0 4.66 -999 ? CG PLM B 275 >LEU.B 13 35.21 -8.70 51.29 34.52 -10.76 51.18 34.87 -9.73 51.24 3 0 11.29 -999 ? CG PLM B 275 >PRO~B 14 31.99 -5.29 53.66 34.21 -5.48 53.33 33.10 -5.39 53.50 3 0 11.89 -999 ? CG PLM B 275 >THR~B 15 37.54 -5.44 56.00 39.31 -4.20 56.34 38.42 -4.82 56.17 2 0 14.73 -999 ? CH1 MLY B 115 >HIS~B 16 33.23 -5.26 59.24 31.43 -4.82 58.22 32.33 -5.04 58.73 3 0 12.77 -999 ? CH1 MLY B 115 >VAL~B 17 33.65 -9.14 57.10 31.96 -9.21 55.74 32.81 -9.17 56.42 3 0 9.37 -999 ? CH1 MLY B 115 >ALA~B 18 36.86 -10.54 55.66 37.84 -9.72 54.80 37.35 -10.13 55.23 2 0 10.14 -999 ? CH1 MLY B 115 >GLU~B 19 39.98 -8.68 59.51 40.46 -6.82 60.45 40.22 -7.75 59.98 2 0 11.90 -999 ? CH2 MLY B 115 >ASP~B 20 33.92 -11.70 61.21 33.95 -9.83 62.27 33.94 -10.76 61.74 2 0 7.96 -999 ? CH1 MLY B 115 >LEU~B 21 34.37 -14.94 57.13 32.21 -15.15 57.23 33.29 -15.04 57.18 3 0 4.18 -999 ? CH1 MLY B 115 >ASP.B 22 39.50 -16.41 59.04 41.66 -16.64 59.09 40.58 -16.52 59.07 2 0 5.48 -999 ? CH2 MLY B 115 >ILE.B 23 37.83 -14.04 53.66 36.73 -14.11 52.81 37.28 -14.08 53.24 3 0 8.37 -999 ? CH1 MLY B 115 >THR^B 24 42.39 -13.62 53.06 44.33 -14.58 53.17 43.36 -14.10 53.12 2 0 11.50 -999 ? CH2 MLY B 115 >VAL^B 25 42.34 -10.65 50.65 40.84 -9.00 50.82 41.59 -9.83 50.73 3 0 14.07 -999 ? C2 PLM B 275 >ILE^B 26 46.08 -11.16 47.67 46.71 -11.94 46.59 46.39 -11.55 47.13 3 0 12.03 -999 ? C2 PLM B 275 >ASN.B 27 45.94 -5.40 47.29 44.96 -4.75 49.10 45.45 -5.08 48.19 2 0 11.96 -999 ? C2 PLM B 275 >LEU.B 28 44.05 -5.93 41.96 42.93 -7.61 41.22 43.49 -6.77 41.59 3 0 4.45 -999 ? C2 PLM B 275 >HIS^B 29 49.52 -4.86 41.30 50.49 -6.51 42.15 50.01 -5.68 41.72 3 0 8.41 -999 ? O2 PLM B 275 >VAL^B 30 46.76 0.40 41.13 45.01 1.40 41.79 45.89 0.90 41.46 3 0 8.16 -999 ? O2 PLM B 275 >MET?B 31 49.79 2.24 39.64 49.83 -1.16 37.64 49.81 0.54 38.64 2 0 6.87 -999 ? O2 PLM B 275 >ASN^B 32 51.51 6.58 38.56 50.08 7.65 39.71 50.79 7.12 39.13 2 0 12.55 -999 ? CH2 MLY B 148 >ASN^B 33 49.80 5.25 33.38 50.34 4.03 31.74 50.07 4.64 32.56 2 0 9.61 -999 ? O MLY B 148 >GLY.B 34 52.68 9.31 33.71 52.08 8.99 34.20 52.38 9.15 33.96 1 0 12.52 -999 ? CH2 MLY B 148 >GLU.B 35 50.38 13.98 34.27 51.01 14.15 36.30 50.69 14.07 35.29 2 0 12.58 -999 ? CH2 MLY B 148 >GLU^B 36 45.25 9.27 33.02 44.49 9.32 31.03 44.87 9.30 32.02 2 0 4.06 -999 ? NZ MLY B 148 >ARG^B 37 45.85 7.15 40.35 42.93 6.37 40.98 44.39 6.76 40.67 2 0 9.77 -999 ? CH2 MLY B 148 >SER^B 38 46.41 2.30 35.60 48.72 2.22 35.08 47.56 2.26 35.34 2 0 8.22 -999 ? O2 PLM B 275 >THR^B 39 45.90 -1.17 36.92 43.73 -1.14 37.02 44.81 -1.15 36.97 2 0 -3.77 -999 ? O2 PLM B 275s >SER^B 40 47.48 -4.60 36.69 49.64 -5.38 37.54 48.56 -4.99 37.12 2 0 -5.77 -999 ? O2 PLM B 275s >GLY.B 41 46.46 -8.16 37.65 47.23 -7.82 37.74 46.85 -7.99 37.70 1 0 -3.60 -999 ? O1 PLM B 275s >LEU.B 42 47.68 -11.04 41.35 47.13 -10.23 43.32 47.41 -10.64 42.33 3 0 8.51 -999 ? C2 PLM B 275 >SER~B 43 51.26 -12.33 38.83 53.26 -11.95 40.06 52.26 -12.14 39.44 2 0 11.63 -999 ? O1 PLM B 275 >SER~B 44 51.68 -16.09 39.32 53.32 -16.88 37.74 52.50 -16.48 38.53 2 0 14.01 -999 ? O1 PLM B 275 >LEU~B 45 55.87 -14.48 41.08 57.95 -15.03 41.04 56.91 -14.76 41.06 3 0 16.25 -999 ? O1 PLM B 275 >GLU~B 46 52.80 -10.77 43.27 51.77 -9.04 42.64 52.29 -9.90 42.96 2 0 10.84 -999 ? O1 PLM B 275 >LEU~B 47 48.88 -16.06 42.79 47.08 -14.95 42.39 47.98 -15.50 42.59 3 0 11.90 -999 ? O1 PLM B 275 >ALA~B 48 52.23 -18.70 44.56 53.45 -19.13 43.74 52.84 -18.92 44.15 2 0 17.63 -999 ? O1 PLM B 275 >ALA~B 49 53.61 -16.80 47.61 54.37 -15.41 47.61 53.99 -16.11 47.61 2 0 18.15 -999 ? O1 PLM B 275 >SER~B 50 50.18 -15.96 48.82 48.00 -14.97 48.59 49.09 -15.47 48.71 2 0 15.57 -999 ? C2 PLM B 275 >TYR~B 51 47.66 -19.62 46.06 45.92 -18.52 44.16 46.79 -19.07 45.11 3 0 14.45 -999 ? N MLY B 70 >ALA~B 52 51.84 -21.05 50.08 53.24 -20.87 49.67 52.54 -20.96 49.88 2 0 20.23 -999 ? CH2 MLY B 115 >ARG~B 53 51.38 -15.03 54.19 54.29 -14.23 54.91 52.83 -14.63 54.55 2 0 18.98 -999 ? CH2 MLY B 115 >GLN~B 54 46.21 -18.06 52.70 46.39 -17.07 54.56 46.30 -17.57 53.63 2 0 11.67 -999 ? CH2 MLY B 115 >LEU~B 55 49.41 -24.16 51.74 48.39 -25.07 50.05 48.90 -24.62 50.89 3 0 16.32 -999 ? N MLY B 115 >GLU~B 56 53.35 -22.46 57.00 54.27 -24.35 57.39 53.81 -23.41 57.20 2 0 18.94 -999 ? CH2 MLY B 115 >ARG~B 57 47.13 -17.78 58.39 48.27 -15.04 57.42 47.70 -16.41 57.90 2 0 12.45 -999 ? CH2 MLY B 115 >GLY~B 58 46.00 -23.85 57.58 46.74 -24.12 57.49 46.37 -23.98 57.54 1 0 11.41 -999 ? CH2 MLY B 115 >GLY.B 59 48.17 -26.96 57.93 47.80 -26.67 57.29 47.98 -26.81 57.61 1 0 14.40 -999 ? N MLY B 115 >ASP.B 60 48.94 -28.70 53.90 50.71 -27.63 53.32 49.83 -28.17 53.61 2 0 17.69 -999 ? N MLY B 115 >ASP.B 61 43.28 -28.69 55.72 44.03 -30.21 56.99 43.65 -29.45 56.36 2 0 12.20 -999 ? N MLY B 115 >GLY.B 62 43.40 -26.76 51.21 43.51 -26.27 51.83 43.45 -26.51 51.52 1 0 12.01 -999 ? N MLY B 115 >VAL^B 63 42.90 -23.32 49.82 44.47 -21.81 49.72 43.69 -22.56 49.77 3 0 12.51 -999 ? N MLY B 115 >LEU^B 64 38.46 -22.07 48.37 36.65 -22.39 47.10 37.56 -22.23 47.73 3 0 10.87 -999 ? N MLY B 115 >ALA^B 65 40.89 -19.11 45.57 42.20 -19.17 44.81 41.55 -19.14 45.19 2 0 12.16 -999 ? N MLY B 70 >LEU^B 66 36.88 -16.63 44.92 35.72 -17.87 46.19 36.30 -17.25 45.55 3 0 11.23 -999 ? N MLY B 132 >HIS.B 67 41.87 -14.90 42.00 43.33 -15.24 43.46 42.60 -15.07 42.73 3 0 9.35 -999 ? N MLY B 70 >ILE.B 68 38.77 -10.27 39.05 39.37 -9.22 38.33 39.07 -9.75 38.69 3 0 5.30 -999 ? C4 PLM B 275 >SER.B 69 36.97 -13.02 35.95 35.81 -12.73 33.80 36.39 -12.88 34.88 2 0 3.04 -999 ? N MLY B 70 >GLU.B 71 35.69 -13.24 30.62 36.20 -14.66 29.24 35.94 -13.95 29.93 2 0 3.99 -999 ? CG MLY B 70 >LEU.B 72 37.67 -8.55 33.99 35.56 -7.95 33.49 36.61 -8.25 33.74 3 0 -4.28 -999 ? C6 PLM B 275s >SER.B 73 42.15 -9.58 34.15 43.14 -9.24 36.37 42.65 -9.41 35.26 2 0 -2.65 -999 ? O1 PLM B 275s >SER~B 74 45.18 -11.87 33.71 47.12 -10.46 34.09 46.15 -11.16 33.90 2 0 5.17 -999 ? O1 PLM B 275 >THR~B 75 44.76 -12.84 37.39 44.13 -11.66 39.13 44.45 -12.25 38.26 2 0 6.00 -999 ? O1 PLM B 275 >TRP~B 76 40.51 -18.54 36.94 41.31 -20.25 33.46 40.91 -19.40 35.20 3 0 4.39 -999 ? CD MLY B 70 >SER~B 77 45.47 -17.34 34.36 46.55 -15.63 33.05 46.01 -16.48 33.70 2 0 6.89 -999 ? O MLY B 70 >ALA~B 78 48.24 -16.56 36.92 48.61 -15.12 37.36 48.42 -15.84 37.14 2 0 9.75 -999 ? O1 PLM B 275 >ALA~B 79 46.19 -18.31 39.68 44.79 -17.98 40.06 45.49 -18.14 39.87 2 0 9.08 -999 ? CB MLY B 70 >VAL~B 80 45.97 -21.50 37.61 44.75 -22.24 35.86 45.36 -21.87 36.73 3 0 9.22 -999 ? CB MLY B 70 >THR~B 81 49.72 -21.28 37.04 51.01 -20.25 35.66 50.37 -20.76 36.35 2 0 12.54 -999 ? CB MLY B 70 >ALA~B 82 50.36 -20.72 40.79 49.97 -19.47 41.63 50.17 -20.10 41.21 2 0 14.01 -999 ? CB MLY B 70 >ALA~B 83 48.02 -23.51 41.88 46.52 -23.62 41.61 47.27 -23.57 41.75 2 0 13.60 -999 ? CB MLY B 70 >ALA~B 84 49.98 -26.07 39.72 50.14 -25.93 38.15 50.06 -26.00 38.93 2 0 15.09 -999 ? CH1 MLY B 70 >VAL.B 85 53.04 -25.42 41.89 54.37 -23.81 42.56 53.70 -24.61 42.22 3 0 19.06 -999 ? CB MLY B 70 >PHE.B 86 50.98 -25.19 46.02 51.85 -22.60 46.72 51.42 -23.90 46.37 3 0 19.65 -999 ? CB MLY B 70 >ASP.B 87 49.99 -31.67 46.30 51.89 -32.36 46.84 50.94 -32.02 46.57 2 0 22.90 -999 ? N MLY B 115 >ASP.B 88 46.62 -32.69 42.34 47.79 -32.91 40.57 47.21 -32.80 41.45 2 0 18.58 -999 ? CH1 MLY B 70 >ASP.B 89 44.00 -32.34 46.85 43.07 -33.95 45.83 43.53 -33.14 46.34 2 0 18.70 -999 ? N MLY B 115 >SER.B 90 45.95 -28.25 47.67 48.11 -29.16 48.06 47.03 -28.71 47.86 2 0 18.16 -999 ? N MLY B 115 >VAL^B 91 44.69 -25.20 45.82 45.95 -23.40 45.63 45.32 -24.30 45.72 3 0 16.41 -999 ? CB MLY B 70 >ARG^B 92 39.34 -27.29 42.92 36.71 -28.75 42.22 38.03 -28.02 42.57 2 0 11.96 -999 ? CE MLY B 132 >VAL^B 93 40.86 -22.05 41.70 42.47 -21.00 40.61 41.66 -21.52 41.16 3 0 10.26 -999 ? CB MLY B 70 >VAL^B 94 37.26 -21.07 40.97 35.56 -20.78 42.29 36.41 -20.92 41.63 3 0 10.13 -999 ? N MLY B 70 >ASP.B 95 36.59 -20.71 36.20 36.47 -19.60 34.41 36.53 -20.15 35.31 2 0 3.19 -999 ? NZ MLY B 70 >THR.B 96 34.21 -17.13 38.63 35.39 -15.72 39.79 34.80 -16.42 39.21 2 0 6.39 -999 ? N MLY B 70 >SER.B 97 33.41 -15.20 35.47 31.36 -16.16 34.63 32.39 -15.68 35.05 2 0 7.01 -999 ? CE MLY B 70 >SER.B 98 32.38 -12.45 37.84 30.57 -12.00 39.35 31.48 -12.23 38.59 2 0 7.67 -999 ? CG PLM B 275 >LEU.B 99 34.41 -8.51 39.04 33.36 -6.94 37.81 33.89 -7.72 38.43 3 0 -4.75 -999 ? CF PLM B 275s >GLY~B 100 32.90 -7.65 43.03 32.91 -8.49 43.03 32.91 -8.07 43.03 1 0 -3.58 -999 ? CG PLM B 275s >MET?B 101 30.49 -8.73 45.73 31.13 -8.36 48.99 30.81 -8.55 47.36 2 0 8.06 -999 ? CG PLM B 275 >ALA~B 102 29.06 -11.69 43.79 28.63 -11.83 42.37 28.85 -11.76 43.08 2 0 7.55 -999 ? CG PLM B 275 >VAL~B 103 32.54 -13.19 44.23 34.34 -13.20 42.97 33.44 -13.19 43.60 3 0 8.91 -999 ? CG PLM B 275 >GLY~B 104 32.61 -11.73 47.76 32.04 -12.23 47.39 32.32 -11.98 47.57 1 0 9.28 -999 ? CG PLM B 275 >ALA~B 105 29.28 -13.42 48.52 27.96 -13.13 47.88 28.62 -13.27 48.20 2 0 9.64 -999 ? N MLY B 132 >ALA~B 106 30.58 -16.72 47.11 31.09 -16.97 45.70 30.84 -16.85 46.40 2 0 7.33 -999 ? N MLY B 132 >ALA~B 107 33.65 -16.38 49.36 34.69 -15.31 49.25 34.17 -15.84 49.30 2 0 11.29 -999 ? CH1 MLY B 115 >MET?B 108 31.50 -15.66 52.38 29.83 -11.72 52.52 30.66 -13.69 52.45 2 0 10.79 -999 ? CH1 MLY B 115 >ALA~B 109 29.37 -18.79 51.76 28.44 -19.10 50.56 28.91 -18.94 51.16 2 0 10.31 -999 ? N MLY B 115 >ALA~B 110 32.44 -20.94 51.31 33.39 -20.86 50.16 32.91 -20.90 50.73 2 0 8.25 -999 ? N MLY B 115 >ALA~B 111 34.19 -19.46 54.44 34.66 -18.00 54.65 34.43 -18.73 54.55 2 0 5.70 -999 ? CH1 MLY B 115 >ARG~B 112 28.08 -17.75 56.88 27.16 -15.85 54.63 27.62 -16.80 55.75 2 0 9.42 -999 ? CH1 MLY B 115 >MET?B 113 31.11 -23.82 55.49 29.12 -25.55 52.25 30.11 -24.68 53.87 2 0 8.33 -999 ? N MLY B 115 >ALA~B 114 34.82 -23.98 55.97 35.88 -23.11 55.32 35.35 -23.54 55.64 2 0 3.18 -999 ? N MLY B 115 >ASP~B 116 30.61 -25.79 59.58 29.45 -24.29 60.47 30.03 -25.04 60.03 2 0 4.27 -999 ? C MLY B 115 >GLY.B 117 34.68 -28.18 58.82 34.12 -27.94 58.31 34.40 -28.06 58.56 1 0 4.60 -999 ? C MLY B 115 >ALA.B 118 33.34 -28.71 55.30 32.48 -27.72 54.54 32.91 -28.21 54.92 2 0 6.34 -999 ? N MLY B 115 >SER~B 119 35.71 -30.23 52.73 34.44 -31.43 51.08 35.08 -30.83 51.90 2 0 11.10 -999 ? N MLY B 115 >LEU~B 120 38.85 -28.61 49.42 39.96 -27.03 48.35 39.40 -27.82 48.88 3 0 11.62 -999 ? N MLY B 115 >GLN~B 121 33.86 -31.79 46.26 34.44 -31.12 44.31 34.15 -31.45 45.29 2 0 12.47 -999 ? CE MLY B 132 >GLU~B 122 30.97 -30.54 50.95 30.66 -31.36 52.91 30.82 -30.95 51.93 2 0 10.65 -999 ? N MLY B 115 >CYH~B 123 33.42 -25.09 49.83 34.57 -25.02 52.32 34.00 -25.06 51.07 2 0 6.19 -999 ? N MLY B 115 >TYR~B 124 35.07 -26.00 43.96 35.16 -25.66 41.20 35.12 -25.83 42.58 3 0 9.81 -999 ? CD MLY B 132 >ASP~B 125 30.07 -27.63 45.40 31.06 -29.05 44.14 30.56 -28.34 44.77 2 0 9.37 -999 ? NZ MLY B 132 >ILE~B 126 28.86 -23.59 49.00 28.21 -23.20 49.35 28.54 -23.39 49.17 3 0 10.08 -999 ? N MLY B 132 >ALA~B 127 31.11 -20.92 45.91 32.62 -20.90 45.87 31.86 -20.91 45.89 2 0 8.47 -999 ? N MLY B 132 >VAL~B 128 30.17 -22.01 42.39 30.98 -23.35 40.86 30.58 -22.68 41.62 3 0 4.94 -999 ? CD MLY B 132 >ASP~B 129 25.90 -23.32 44.31 23.79 -23.05 44.45 24.84 -23.19 44.38 2 0 5.77 -999 ? CB MLY B 132 >THR~B 130 26.43 -18.88 44.75 27.09 -18.08 46.68 26.76 -18.48 45.72 2 0 6.42 -999 ? N MLY B 132 >LEU~B 131 29.40 -17.72 41.05 31.19 -16.75 41.81 30.29 -17.24 41.43 3 0 4.31 -999 ? N MLY B 132 >ARG~B 133 20.98 -20.23 43.67 22.32 -19.48 46.32 21.65 -19.85 44.99 2 0 7.00 -999 ? C MLY B 132 >SER^B 134 24.20 -14.09 40.99 26.61 -14.02 40.59 25.41 -14.06 40.79 2 0 4.96 -999 ? N MLY B 132 >GLU^B 135 21.53 -11.59 37.99 22.08 -12.58 36.15 21.81 -12.08 37.07 2 0 6.41 -999 ? O MLY B 132 >THR^B 136 26.18 -7.95 38.50 28.26 -8.03 39.11 27.22 -7.99 38.81 2 0 5.14 -999 ? CG PLM B 275 >TRP^B 137 22.31 -5.41 35.53 20.42 -7.58 38.23 21.37 -6.49 36.88 3 0 7.31 -999 ? O MLY B 191 >ILE^B 138 28.41 -1.24 36.90 29.42 -1.87 37.79 28.92 -1.56 37.34 3 0 -4.31 -999 ? CC PLM B 275s >TYR^B 139 24.46 4.40 37.74 24.24 7.11 37.16 24.35 5.76 37.45 3 0 7.79 -999 ? CH1 MLY A 70 >LEU.B 140 28.88 4.18 34.19 30.32 2.56 34.30 29.60 3.37 34.24 3 0 6.87 -999 ? CA PLM B 275 >HIS.B 141 28.53 10.56 36.97 28.47 12.64 36.67 28.50 11.60 36.82 3 0 3.54 -999 ? CH1 MLY A 70 >ARG.B 142 33.69 10.35 33.93 35.18 12.12 36.05 34.44 11.24 34.99 2 0 7.13 -999 ? CH2 MLY B 148 >ILE~B 143 30.79 6.37 29.01 30.56 5.68 28.59 30.68 6.02 28.80 3 0 7.92 -999 ? N MLY B 148 >ASP~B 144 35.62 9.29 30.51 34.28 10.90 30.22 34.95 10.09 30.37 2 0 5.47 -999 ? CH1 MLY B 148 >GLU~B 145 36.71 6.54 34.71 36.51 8.63 34.34 36.61 7.58 34.53 2 0 4.47 -999 ? CH2 MLY B 148 >ILE~B 146 33.90 1.80 31.58 33.07 1.01 31.63 33.48 1.40 31.60 3 0 -5.39 -999 ? CA PLM B 275s >TRP~B 147 35.06 3.73 24.57 38.17 5.74 23.16 36.61 4.73 23.86 3 0 4.79 -999 ? N MLY B 148 >SER~B 149 39.80 0.47 30.26 37.72 -0.72 30.64 38.76 -0.12 30.45 2 0 4.38 -999 ? C MLY B 148 >GLY.B 150 39.70 -1.89 27.25 39.15 -1.89 27.86 39.43 -1.89 27.56 1 0 4.60 -999 ? O MLY B 148 >ARG.B 151 39.24 -4.29 30.98 41.92 -4.19 32.48 40.58 -4.24 31.73 2 0 -3.99 -999 ? O2 PLM B 275s >ILE.B 152 33.20 -1.73 26.95 32.79 -0.50 27.65 32.99 -1.11 27.30 3 0 7.26 -999 ? N MLY B 148 >SER~B 153 33.97 -3.44 22.90 31.69 -4.01 22.18 32.83 -3.72 22.54 2 0 11.55 -999 ? CH2 MLY B 181 >THR~B 154 33.84 -0.33 20.67 35.54 -0.58 19.37 34.69 -0.45 20.02 2 0 10.27 -999 ? N MLY B 148 >ALA~B 155 30.47 -1.83 19.66 30.25 -3.34 19.42 30.36 -2.58 19.54 2 0 11.12 -999 ? CH2 MLY B 181 >THR~B 156 29.09 -1.32 23.15 28.93 -2.93 24.62 29.01 -2.12 23.89 2 0 8.42 -999 ? CH2 MLY B 181 >ALA~B 157 30.89 2.08 23.24 32.40 2.26 23.19 31.64 2.17 23.22 2 0 7.90 -999 ? N MLY B 148 >MET?B 158 29.14 3.41 20.12 31.40 4.39 18.20 30.27 3.90 19.16 2 0 12.19 -999 ? N MLY B 148 >VAL~B 159 25.80 2.48 21.77 24.70 0.54 22.01 25.25 1.51 21.89 3 0 6.47 -999 ? NZ MLY B 181 >SER~B 160 26.62 4.48 24.98 27.82 5.04 26.98 27.22 4.76 25.98 2 0 7.66 -999 ? CA MLY B 181 >THR~B 161 27.60 7.79 23.31 29.39 8.08 22.14 28.50 7.94 22.72 2 0 11.29 -999 ? O MLY B 181 >ALA~B 162 24.37 7.26 21.40 24.25 6.26 20.25 24.31 6.76 20.83 2 0 7.89 -999 ? CB MLY B 181 >ALA.B 164 23.22 5.74 27.01 23.49 4.29 26.59 23.35 5.01 26.80 2 0 3.45 -999 ? CA MLY B 181 >THR.B 165 25.60 8.39 28.45 24.90 10.32 27.77 25.25 9.35 28.11 2 0 7.31 -999 ? O MLY B 181 >ARG.B 166 24.36 10.33 33.95 24.94 13.33 33.75 24.65 11.83 33.85 2 0 6.96 -999 ? CE MLY A 70 >PRO.B 167 26.37 3.21 30.78 24.40 4.05 31.42 25.38 3.63 31.10 3 0 6.10 -999 ? C MLY B 181 >ILE^B 168 22.11 -0.21 33.97 22.07 -0.10 35.47 22.09 -0.15 34.72 3 0 5.69 -999 ? CB MLY B 191 >MET?B 169 26.14 -2.13 32.55 27.90 -0.27 30.39 27.02 -1.20 31.47 2 0 8.29 -999 ? CA PLM B 275 >ARG^B 170 22.87 -8.16 33.36 22.15 -11.12 33.28 22.51 -9.64 33.32 2 0 9.09 -999 ? O MLY B 132 >PHE^B 171 30.89 -9.04 34.02 33.05 -10.68 33.19 31.97 -9.86 33.61 3 0 7.79 -999 ? N MLY B 70 >ASN^B 172 25.65 -11.32 31.64 24.49 -13.12 31.54 25.07 -12.22 31.59 2 0 8.93 -999 ? O MLY B 132 >GLY.B 173 28.67 -14.53 30.09 29.06 -13.87 30.41 28.86 -14.20 30.25 1 0 9.09 -999 ? CH2 MLY B 70 >GLY.B 174 32.12 -12.92 30.51 31.51 -12.53 30.20 31.82 -12.73 30.36 1 0 7.24 -999 ? CG MLY B 70 >ARG^B 175 29.73 -11.03 25.40 29.54 -12.50 22.66 29.63 -11.76 24.03 2 0 12.51 -999 ? CH2 MLY B 70 >MET?B 176 30.64 -6.06 29.75 31.02 -4.53 32.93 30.83 -5.29 31.34 2 0 4.86 -999 ? C9 PLM B 275 >GLU^B 177 27.35 -7.59 27.30 26.26 -9.14 26.31 26.81 -8.37 26.80 2 0 8.93 -999 ? CH2 MLY B 181 >ILE^B 178 24.59 -1.23 27.28 24.60 0.16 26.82 24.60 -0.53 27.05 3 0 5.07 -999 ? CH2 MLY B 181 >ALA^B 179 21.65 -3.49 30.13 21.68 -4.13 31.49 21.66 -3.81 30.81 2 0 6.78 -999 ? CE MLY B 191 >ALA^B 180 19.86 -0.10 29.96 19.44 0.15 31.41 19.65 0.03 30.68 2 0 3.51 -999 ? CG MLY B 191 >THR.B 182 19.68 5.31 30.12 19.77 4.99 32.25 19.72 5.15 31.18 2 0 3.98 -999 ? C MLY B 187 >ARG.B 183 19.94 10.20 26.93 21.96 9.13 24.86 20.95 9.66 25.90 2 0 5.20 -999 ? O MLY B 181 >THR~B 184 20.03 10.06 34.00 18.14 11.02 33.76 19.09 10.54 33.88 2 0 4.13 -999 ? CD MLY B 187 >GLN~B 185 21.34 8.25 39.87 21.66 9.45 41.61 21.50 8.85 40.74 2 0 5.17 -999 ? CH2 MLY A 70 >SER~B 186 17.02 8.56 37.98 14.98 9.64 38.25 16.00 9.10 38.11 2 0 3.57 -999 ? N MLY B 187 >ALA~B 188 19.00 4.18 35.26 20.44 4.52 35.37 19.72 4.35 35.32 2 0 3.66 -999 ? C MLY B 187 >PHE~B 189 19.38 4.64 40.66 21.88 5.32 41.79 20.63 4.98 41.22 3 0 7.27 -999 ? N MLY B 187 >ALA~B 190 14.43 2.77 37.89 13.43 3.79 37.26 13.93 3.28 37.58 2 0 3.25 -999 ? N MLY B 191 >LEU~B 192 19.02 -0.64 38.36 20.92 -1.57 38.58 19.97 -1.11 38.47 3 0 4.53 -999 ? C MLY B 191 >VAL~B 193 15.20 -1.91 40.17 14.23 -0.54 41.60 14.72 -1.23 40.89 3 0 5.02 -999 ? O MLY B 191 >GLU~B 194 11.68 -3.35 35.21 10.76 -2.02 33.79 11.22 -2.68 34.50 2 0 3.75 -999 ? CH1 MLY B 191 >LEU~B 195 17.02 -5.42 35.89 17.35 -4.87 33.75 17.19 -5.14 34.82 3 0 3.72 -999 ? O MLY B 191 >ALA~B 196 16.37 -6.98 39.97 16.91 -6.13 41.04 16.64 -6.55 40.50 2 0 6.64 -999 ? O MLY B 191 >GLN~B 197 10.36 -6.46 41.27 8.98 -4.90 40.98 9.67 -5.68 41.12 2 0 8.86 -999 ? O MLY B 191 >ILE~B 198 12.20 -9.11 36.15 11.77 -8.79 34.94 11.98 -8.95 35.54 3 0 7.45 -999 ? CH2 MLY B 191 >ARG~B 199 17.67 -13.34 37.48 18.60 -15.67 39.24 18.14 -14.50 38.36 2 0 5.46 -999 ? O MLY B 132 >ALA~B 200 14.10 -12.13 41.99 13.85 -11.04 43.01 13.97 -11.58 42.50 2 0 11.62 -999 ? O MLY B 191 >ASP~B 201 11.34 -15.01 40.07 9.78 -16.12 39.12 10.56 -15.57 39.60 2 0 13.76 -999 ? O MLY B 132 >GLY.B 202 9.12 -13.11 44.09 9.86 -13.31 44.03 9.49 -13.21 44.06 1 0 15.26 -999 ? O MLY B 191 >GLU.B 203 12.07 -17.01 45.00 11.20 -18.12 46.55 11.64 -17.57 45.78 2 0 14.46 -999 ? O MLY B 132 >PRO.B 204 13.31 -14.58 50.29 13.84 -13.49 48.40 13.57 -14.04 49.35 3 0 15.06 -999 ? O MLY B 132 >VAL^B 205 17.56 -11.58 47.35 17.46 -10.55 45.42 17.51 -11.06 46.38 3 0 12.05 -999 ? O MLY B 132 >PHE^B 206 23.23 -11.13 49.79 25.55 -9.67 50.59 24.39 -10.40 50.19 3 0 12.21 -999 ? CG PLM B 275 >ILE^B 207 21.00 -6.48 47.31 20.57 -5.84 45.96 20.78 -6.16 46.63 3 0 11.06 -999 ? O MLY B 219 >ALA^B 208 25.48 -5.68 47.99 26.79 -6.43 48.16 26.13 -6.06 48.07 2 0 7.94 -999 ? CG PLM B 275 >ILE^B 209 24.46 -1.07 47.15 23.26 -0.32 46.85 23.86 -0.70 47.00 3 0 6.11 -999 ? N MLY B 219 >GLY^B 210 29.04 -0.68 46.01 28.35 -0.26 45.71 28.70 -0.47 45.86 1 0 6.27 -999 ? CG PLM B 275 >GLN^B 211 29.84 3.95 47.83 31.47 5.37 47.97 30.66 4.66 47.90 2 0 8.61 -999 ? N MLY B 219 >ASN^B 212 33.87 4.47 43.13 35.52 5.82 42.95 34.69 5.15 43.04 2 0 9.04 -999 ? CC PLM B 275 >GLU.B 213 34.72 9.35 44.60 35.16 10.57 46.33 34.94 9.96 45.46 2 0 9.58 -999 ? CH1 MLY A 70 >ALA~B 214 28.64 7.91 45.05 28.32 6.98 43.83 28.48 7.44 44.44 2 0 6.25 -999 ? CH1 MLY A 70 >ARG~B 215 30.55 8.24 51.13 32.83 6.31 51.80 31.69 7.27 51.47 2 0 9.70 -999 ? CG MLY B 219 >GLU~B 216 24.82 11.29 49.92 24.62 10.16 51.72 24.72 10.72 50.82 2 0 4.70 -999 ? CG MLY B 219 >ALA~B 217 23.37 7.77 45.17 24.15 7.89 43.86 23.76 7.83 44.52 2 0 5.64 -999 ? N MLY B 219 >ALA~B 218 24.09 4.27 46.65 25.47 3.73 47.20 24.78 4.00 46.93 2 0 3.25 -999 ? N MLY B 219 >GLN~B 220 18.33 8.30 46.29 17.50 8.95 44.44 17.92 8.63 45.37 2 0 6.57 -999 ? C MLY B 219 >LEU~B 221 20.52 2.49 44.31 20.52 1.05 42.65 20.52 1.77 43.48 3 0 6.41 -999 ? C MLY B 219 >GLU~B 222 19.99 -0.07 50.63 21.01 0.36 52.44 20.50 0.14 51.53 2 0 3.70 -999 ? CH1 MLY B 219 >GLU~B 223 14.44 4.54 49.58 14.14 5.98 48.04 14.29 5.26 48.81 2 0 5.71 -999 ? O MLY B 219 >LEU~B 224 15.03 2.39 44.70 14.51 4.26 43.74 14.77 3.33 44.22 3 0 7.06 -999 ? O MLY B 219 >LEU~B 225 16.96 -2.27 46.07 18.16 -2.64 44.28 17.56 -2.45 45.17 3 0 8.32 -999 ? O MLY B 219 >ARG~B 226 15.96 -1.04 53.08 17.93 -2.82 54.62 16.94 -1.93 53.85 2 0 6.88 -999 ? CH1 MLY B 219 >ASN~B 227 10.61 0.36 48.31 11.02 1.73 49.89 10.82 1.04 49.10 2 0 8.93 -999 ? O MLY B 219 >ALA~B 228 10.73 -3.03 45.44 11.30 -2.48 44.15 11.01 -2.76 44.79 2 0 9.27 -999 ? O MLY B 191 >LEU~B 229 13.74 -6.59 46.44 15.28 -6.68 44.88 14.51 -6.63 45.66 3 0 10.79 -999 ? O MLY B 191 >PRO.B 230 10.88 -10.57 46.17 11.00 -8.93 47.69 10.94 -9.75 46.93 3 0 14.24 -999 ? O MLY B 191 >GLU.B 231 8.06 -8.84 53.00 6.24 -9.77 53.66 7.15 -9.31 53.33 2 0 19.94 -999 ? O MLY B 219 >GLY.B 232 13.40 -11.13 53.55 13.49 -10.54 52.97 13.45 -10.83 53.26 1 0 16.40 -999 ? CH1 MLY B 219 >SER.B 233 15.81 -9.52 51.10 14.72 -9.38 48.96 15.27 -9.45 50.03 2 0 14.67 -999 ? O MLY B 219 >SER^B 234 19.08 -8.47 52.70 20.59 -10.31 52.42 19.84 -9.39 52.56 2 0 13.66 -999 ? CH1 MLY B 219 >PHE^B 235 19.28 -4.38 51.15 17.00 -4.86 49.58 18.14 -4.62 50.37 3 0 9.27 -999 ? O MLY B 219 >MET?B 236 25.00 -4.61 52.53 28.46 -7.24 52.74 26.73 -5.93 52.64 2 0 11.58 -999 ? CG PLM B 275 >SER^B 237 27.07 -1.48 51.67 25.65 0.18 52.55 26.36 -0.65 52.11 2 0 4.47 -999 ? CE MLY B 219 >VAL^B 238 30.53 -1.82 50.16 30.27 -3.70 49.06 30.40 -2.76 49.61 3 0 8.12 -999 ? CG PLM B 275 >ASP^B 239 34.27 0.98 49.42 33.47 2.19 50.98 33.87 1.59 50.20 2 0 10.78 -999 ? CE MLY B 219 >ILE.B 240 33.65 0.37 43.78 33.06 0.46 42.53 33.35 0.41 43.16 3 0 4.45 -999 ? CE PLM B 275 >ASP~B 241 38.14 -2.93 44.71 40.23 -3.27 44.52 39.19 -3.10 44.61 2 0 7.65 -999 ? C3 PLM B 275 >PRO~B 242 40.74 1.51 46.48 39.81 0.79 44.57 40.28 1.15 45.52 3 0 10.24 -999 ? CE PLM B 275 >THR~B 243 41.52 -0.89 41.41 42.86 -2.61 41.35 42.19 -1.75 41.38 2 0 4.90 -999 ? C3 PLM B 275 >LEU~B 244 36.82 -2.04 40.53 36.85 -4.22 40.48 36.84 -3.13 40.50 3 0 4.18 -999 ? CD PLM B 275 >ALA~B 245 37.34 2.46 40.56 37.43 3.13 41.94 37.38 2.80 41.25 2 0 7.33 -999 ? CB PLM B 275 >VAL~B 246 40.13 3.44 38.23 42.28 3.20 38.02 41.21 3.32 38.13 3 0 7.96 -999 ? C5 PLM B 275 >HIS~B 247 39.66 0.14 34.82 41.70 -0.12 34.39 40.68 0.01 34.60 3 0 -4.57 -999 ? C5 PLM B 275s >SER~B 248 34.45 2.77 36.71 34.18 3.04 39.14 34.31 2.90 37.92 2 0 4.82 -999 ? CC PLM B 275 >GLY~B 249 35.21 6.43 37.27 34.86 5.86 37.81 35.04 6.14 37.54 1 0 7.81 -999 ? CH2 MLY B 148 >PRO.B 250 34.59 10.32 38.95 33.92 8.22 39.49 34.26 9.27 39.22 3 0 7.04 -999 ? CH1 MLY A 70 >GLY.B 251 29.77 8.47 40.69 30.19 7.74 40.60 29.98 8.11 40.65 1 0 4.10 -999 ? CH1 MLY A 70 >ALA^B 252 29.58 4.73 39.92 30.77 3.90 39.36 30.17 4.32 39.64 2 0 6.05 -999 ? CC PLM B 275 >VAL^B 253 27.20 2.50 41.84 25.49 3.32 42.96 26.35 2.91 42.40 3 0 7.44 -999 ? N MLY B 219 >SER^B 254 27.26 -1.32 41.52 29.06 -2.17 42.91 28.16 -1.74 42.22 2 0 -3.56 -999 ? CG PLM B 275s >VAL^B 255 24.66 -3.91 42.46 22.48 -3.56 42.38 23.57 -3.74 42.42 3 0 7.74 -999 ? CG PLM B 275 >SER^B 256 25.83 -7.41 43.31 28.26 -7.04 43.50 27.04 -7.22 43.41 2 0 4.11 -999 ? CG PLM B 275 >ALA^B 257 22.88 -9.73 43.78 21.61 -9.22 43.12 22.25 -9.47 43.45 2 0 10.24 -999 ? O MLY B 132 >VAL^B 258 22.46 -13.38 44.77 24.01 -14.61 45.71 23.23 -13.99 45.24 3 0 7.30 -999 ? C MLY B 132 >PHE^B 259 18.58 -13.24 42.17 18.86 -10.61 41.26 18.72 -11.92 41.72 3 0 8.44 -999 ? O MLY B 132 >ALA.B 260 17.19 -17.84 45.47 15.75 -17.83 45.86 16.47 -17.83 45.67 2 0 10.44 -999 ? O MLY B 132 >ASN.B 261 15.85 -20.06 41.70 14.55 -18.47 41.13 15.20 -19.26 41.42 2 0 9.13 -999 ? O MLY B 132 >GLN.B 262 21.20 -20.99 38.81 21.76 -23.04 39.20 21.48 -22.01 39.01 2 0 3.19 -999 ? CH1 MLY B 132 >ALA.B 263 17.66 -17.65 35.69 18.48 -16.63 34.91 18.07 -17.14 35.30 2 0 6.42 -999 ? O MLY B 132 >PRO.B 264 14.70 -16.53 32.94 15.17 -18.52 33.93 14.94 -17.52 33.44 3 0 9.98 -999 ? O MLY B 132 >ALA.C 0 -6.74 11.93 28.60 -7.36 13.28 29.06 -7.05 12.60 28.83 2 0 10.59 -999 ? O MLY C 115 >MET?C 1 -3.03 11.26 28.06 -1.85 7.59 29.00 -2.44 9.42 28.53 2 0 9.99 -999 ? CH1 MLY C 115 >PRO.C 2 1.10 12.41 27.63 -0.90 13.02 26.76 0.10 12.71 27.20 3 0 5.66 -999 ? CA MLY C 115 >VAL.C 3 -0.73 13.94 22.53 -1.39 15.56 21.18 -1.06 14.75 21.86 3 0 7.06 -999 ? N MLY C 115 >ARG^C 4 1.97 8.94 22.71 4.88 8.25 23.39 3.43 8.60 23.05 2 0 8.04 -999 ? CH1 MLY C 115 >VAL^C 5 4.45 13.71 18.59 5.02 15.85 18.88 4.73 14.78 18.73 3 0 8.82 -999 ? N MLY C 115 >ILE^C 6 5.21 10.84 14.74 5.41 9.74 15.43 5.31 10.29 15.09 3 0 14.09 -999 ? N MLY C 115 >VAL^C 7 8.82 13.07 13.26 10.10 14.25 14.55 9.46 13.66 13.90 3 0 13.26 -999 ? C3 PLM C 275 >ASP^C 8 10.69 11.28 9.09 10.81 13.20 8.18 10.75 12.24 8.63 2 0 7.47 -999 ? C3 PLM C 275 >SER.C 9 14.75 11.28 10.79 15.27 9.74 9.01 15.01 10.51 9.90 2 0 7.71 -999 ? C2 PLM C 275 >SER~C 10 15.06 14.38 8.64 13.11 15.12 7.43 14.09 14.75 8.04 2 0 6.66 -999 ? C3 PLM C 275 >ALA~C 11 14.07 16.66 11.54 12.97 16.49 12.56 13.52 16.58 12.05 2 0 11.47 -999 ? CD PLM C 275 >CYH~C 12 17.62 15.89 12.82 18.76 16.75 10.39 18.19 16.32 11.60 2 0 6.74 -999 ? CD PLM C 275 >LEU.C 13 15.23 15.32 16.97 13.55 16.43 17.69 14.39 15.88 17.33 3 0 13.25 -999 ? CH2 MLY C 115 >PRO~C 14 19.89 17.10 18.92 18.93 15.16 18.31 19.41 16.13 18.62 3 0 13.39 -999 ? CH2 MLY B 187 >THR~C 15 18.52 11.44 20.17 19.13 9.52 19.59 18.82 10.48 19.88 2 0 8.94 -999 ? O MLY B 181 >HIS~C 16 20.29 14.46 24.15 20.84 16.41 23.62 20.56 15.43 23.88 3 0 9.99 -999 ? CH1 MLY B 187 >VAL~C 17 16.14 15.39 22.96 16.34 17.38 22.05 16.24 16.38 22.50 3 0 9.33 -999 ? CH1 MLY B 187 >ALA~C 18 13.70 12.94 21.31 13.98 12.11 20.10 13.84 12.53 20.71 2 0 9.33 -999 ? CH2 MLY B 187 >GLU~C 19 15.40 8.72 23.77 17.19 7.81 24.42 16.30 8.26 24.09 2 0 4.77 -999 ? O MLY B 181 >ASP~C 20 14.47 14.57 27.11 16.33 13.92 27.98 15.40 14.24 27.55 2 0 4.10 -999 ? CH1 MLY B 187 >LEU~C 21 10.54 15.99 24.14 10.91 18.02 24.80 10.72 17.01 24.47 3 0 5.65 -999 ? CD MLY C 115 >ASP.C 22 8.12 10.91 25.26 7.30 9.01 24.83 7.71 9.96 25.05 2 0 5.93 -999 ? CH2 MLY C 115 >ILE.C 23 9.70 13.57 19.81 9.80 14.85 19.23 9.75 14.21 19.52 3 0 9.45 -999 ? CD MLY C 115 >THR^C 24 9.00 9.20 18.20 7.43 7.71 18.02 8.21 8.46 18.11 2 0 12.24 -999 ? CH2 MLY C 115 >VAL^C 25 11.40 9.23 15.26 13.33 10.37 15.40 12.36 9.80 15.33 3 0 13.80 -999 ? CH2 MLY B 187 >ILE^C 26 9.50 6.95 11.42 8.30 6.55 11.24 8.90 6.75 11.33 3 0 11.74 -999 ? C2 PLM C 275 >ASN.C 27 14.96 5.62 10.23 15.98 5.89 12.04 15.47 5.76 11.13 2 0 11.74 -999 ? C2 PLM C 275 >LEU.C 28 14.40 8.92 5.70 12.92 10.48 5.52 13.66 9.70 5.61 3 0 4.26 -999 ? C2 PLM C 275 >HIS^C 29 13.87 3.41 4.23 12.17 2.72 5.23 13.02 3.06 4.73 3 0 8.23 -999 ? C2 PLM C 275 >VAL^C 30 19.28 4.71 2.77 21.03 5.93 3.34 20.16 5.32 3.05 3 0 8.25 -999 ? C2 PLM C 275 >MET?C 31 19.94 1.95 0.13 16.35 2.45 -0.69 18.15 2.20 -0.28 2 0 7.66 -999 ? O2 PLM C 275 >ASN^C 32 24.09 -0.05 0.35 25.25 1.26 1.56 24.67 0.60 0.95 2 0 14.22 -999 ? O2 PLM C 275 >ASN^C 33 21.87 -0.49 -5.34 19.80 -0.27 -4.71 20.84 -0.38 -5.02 2 0 12.20 -999 ? O2 PLM C 275 >GLU^C 36 25.70 3.88 -7.71 24.33 5.03 -8.86 25.02 4.45 -8.28 2 0 6.55 -999 ? CH2 MLY C 148 >ARG^C 37 25.60 6.16 0.96 27.94 6.26 2.97 26.77 6.21 1.97 2 0 12.85 -999 ? CH2 MLY C 148 >SER^C 38 20.08 5.77 -2.77 18.54 4.73 -4.30 19.31 5.25 -3.54 2 0 7.59 -999 ? O2 PLM C 275 >THR^C 39 17.20 7.01 -0.55 17.68 9.12 -0.15 17.44 8.06 -0.35 2 0 -3.69 -999 ? O2 PLM C 275s >SER^C 40 13.53 6.44 -0.11 11.90 4.71 -0.27 12.72 5.57 -0.19 2 0 -5.54 -999 ? O2 PLM C 275s >GLY^C 41 10.66 8.15 1.75 10.75 7.32 1.61 10.71 7.73 1.68 1 0 -3.71 -999 ? O1 PLM C 275s >LEU^C 42 8.04 6.94 5.60 9.52 7.15 7.26 8.78 7.04 6.43 3 0 8.01 -999 ? C2 PLM C 275 >SER^C 43 5.76 4.10 2.83 5.86 1.88 3.70 5.81 2.99 3.26 2 0 11.70 -999 ? O1 PLM C 275 >SER^C 44 2.19 4.53 3.96 0.83 3.55 2.27 1.51 4.04 3.11 2 0 13.79 -999 ? O1 PLM C 275 >LEU^C 45 2.99 -0.20 4.47 2.35 -2.23 4.46 2.67 -1.21 4.46 3 0 16.10 -999 ? O1 PLM C 275 >GLU^C 46 7.34 1.42 6.38 9.08 2.40 5.71 8.21 1.91 6.04 2 0 10.42 -999 ? C2 PLM C 275 >LEU^C 47 3.27 6.19 7.80 4.81 7.67 7.47 4.04 6.93 7.64 3 0 12.03 -999 ? O1 PLM C 275 >ALA^C 48 0.22 3.16 9.39 -0.58 2.29 8.42 -0.18 2.73 8.91 2 0 17.69 -999 ? O1 PLM C 275 >ALA^C 49 2.18 0.78 11.64 3.30 -0.15 11.23 2.74 0.31 11.43 2 0 18.01 -999 ? C2 PLM C 275 >SER^C 50 4.03 3.61 13.37 5.34 5.68 13.42 4.68 4.64 13.39 2 0 15.54 -999 ? C2 PLM C 275 >TYR^C 51 0.70 7.34 11.92 1.93 9.25 10.28 1.32 8.29 11.10 3 0 14.54 -999 ? CB MLY C 70 >ALA^C 52 -1.08 2.71 15.14 -1.36 1.40 14.39 -1.22 2.06 14.76 2 0 20.74 -999 ? CH1 MLY C 115 >ARG^C 53 5.28 0.95 18.50 5.20 -2.12 18.34 5.24 -0.58 18.42 2 0 14.53 -999 ? CH1 MLY B 181 >GLN^C 54 3.85 6.57 18.05 5.00 5.83 19.71 4.42 6.20 18.88 2 0 12.25 -999 ? NZ MLY C 115 >LEU^C 55 -3.10 5.47 17.98 -3.87 7.18 16.85 -3.48 6.33 17.41 3 0 16.09 -999 ? N MLY C 115 >GLU^C 56 -1.71 0.03 21.81 -3.66 -0.45 22.40 -2.68 -0.21 22.11 2 0 18.37 -999 ? CH1 MLY C 115 >ARG^C 57 4.47 4.62 23.58 6.64 3.07 22.07 5.55 3.85 22.83 2 0 11.82 -999 ? CH1 MLY B 191 >GLY^C 58 -1.14 7.18 24.10 -1.60 6.56 23.90 -1.37 6.87 24.00 1 0 11.11 -999 ? CH1 MLY C 115 >GLY^C 59 -4.61 5.71 24.67 -4.36 6.15 24.06 -4.49 5.93 24.36 1 0 14.21 -999 ? CH1 MLY C 115 >ASP^C 60 -7.07 6.25 20.88 -6.56 4.75 19.44 -6.82 5.50 20.16 2 0 17.66 -999 ? N MLY C 115 >ASP^C 61 -5.27 11.10 23.91 -6.35 10.04 25.35 -5.81 10.57 24.63 2 0 12.10 -999 ? N MLY C 115 >GLY^C 62 -4.04 12.10 19.36 -3.51 11.62 19.76 -3.77 11.86 19.56 1 0 11.67 -999 ? N MLY C 115 >VAL^C 63 -0.91 11.91 17.26 0.10 10.09 16.54 -0.40 11.00 16.90 3 0 12.45 -999 ? N MLY C 115 >LEU^C 64 1.07 16.19 16.41 0.84 18.26 15.69 0.96 17.23 16.05 3 0 11.05 -999 ? N MLY C 115 >ALA^C 65 2.93 13.84 12.66 2.46 12.74 11.71 2.70 13.29 12.18 2 0 12.15 -999 ? N MLY C 70 >LEU^C 66 6.14 17.35 12.49 5.01 18.79 13.75 5.57 18.07 13.12 3 0 10.99 -999 ? N MLY C 132 >HIS^C 67 5.99 13.03 8.23 5.49 11.41 9.47 5.74 12.22 8.85 3 0 9.35 -999 ? N MLY C 70 >ILE^C 68 10.74 15.57 5.05 11.45 14.90 4.09 11.10 15.23 4.57 3 0 5.30 -999 ? C3 PLM C 275 >SER^C 69 8.19 18.84 3.06 8.64 20.29 1.18 8.42 19.57 2.12 2 0 3.17 -999 ? N MLY C 70 >GLU^C 71 7.11 21.30 -2.29 5.55 20.87 -3.70 6.33 21.08 -2.99 2 0 4.45 -999 ? CG MLY C 70 >LEU^C 72 12.00 17.66 -0.19 13.03 19.55 -0.25 12.52 18.61 -0.22 3 0 -4.41 -999 ? C7 PLM C 275s >SER^C 73 9.84 13.48 -0.53 10.14 11.91 1.34 9.99 12.70 0.40 2 0 -2.86 -999 ? O1 PLM C 275s >SER^C 74 6.93 11.17 -1.07 7.85 8.93 -1.16 7.39 10.05 -1.12 2 0 4.91 -999 ? O1 PLM C 275 >THR^C 75 6.74 10.86 2.74 8.23 10.88 4.33 7.48 10.87 3.54 2 0 6.09 -999 ? O1 PLM C 275 >TRP^C 76 2.36 16.17 4.43 0.00 16.58 1.29 1.18 16.38 2.86 3 0 4.32 -999 ? CD MLY C 70 >SER^C 77 1.67 11.95 0.72 2.68 10.75 -1.13 2.18 11.35 -0.20 2 0 7.03 -999 ? CB MLY C 70 >ALA^C 78 2.29 8.50 2.23 3.61 7.71 2.29 2.95 8.11 2.26 2 0 9.55 -999 ? O1 PLM C 275 >ALA^C 79 1.54 9.98 5.72 2.34 11.12 6.43 1.94 10.55 6.07 2 0 9.10 -999 ? CB MLY C 70 >VAL^C 80 -1.74 11.43 4.43 -2.38 13.18 3.24 -2.06 12.31 3.84 3 0 8.89 -999 ? CH1 MLY C 70 >THR^C 81 -2.77 7.95 3.21 -2.29 6.81 1.50 -2.53 7.38 2.35 2 0 12.66 -999 ? CB MLY C 70 >ALA^C 82 -1.74 6.31 6.47 -0.33 6.21 7.03 -1.03 6.26 6.75 2 0 13.96 -999 ? CB MLY C 70 >ALA^C 83 -3.61 8.82 8.67 -3.34 10.33 8.81 -3.47 9.57 8.74 2 0 13.37 -999 ? CH1 MLY C 70 >ALA^C 84 -6.79 8.10 6.74 -6.94 8.31 5.24 -6.86 8.20 5.99 2 0 14.62 -999 ? CH1 MLY C 70 >VAL^C 85 -6.83 4.53 8.06 -5.72 2.64 7.87 -6.27 3.59 7.97 3 0 19.16 -999 ? CB MLY C 70 >PHE^C 86 -5.47 5.52 12.39 -3.11 4.02 12.19 -4.29 4.77 12.29 3 0 19.57 -999 ? CB MLY C 70 >ASP^C 87 -11.29 7.84 14.18 -12.35 6.03 14.56 -11.82 6.93 14.37 2 0 22.83 -999 ? N MLY C 115 >ASP^C 88 -12.08 12.19 10.92 -12.20 12.08 8.80 -12.14 12.13 9.86 2 0 16.84 -999 ? CH1 MLY C 70 >ASP^C 89 -9.17 14.84 13.48 -7.97 16.59 13.75 -8.57 15.71 13.61 2 0 15.63 -999 ? CH1 MLY C 132 >SER^C 90 -6.99 10.82 15.52 -8.52 8.93 15.39 -7.76 9.87 15.45 2 0 18.44 -999 ? N MLY C 115 >VAL^C 91 -3.85 11.55 13.48 -2.56 9.92 12.75 -3.20 10.74 13.12 3 0 16.11 -999 ? CH1 MLY C 70 >ARG^C 92 -4.74 17.91 11.77 -5.72 20.68 12.63 -5.23 19.30 12.20 2 0 10.83 -999 ? CH1 MLY C 132 >VAL^C 93 -0.46 15.29 9.57 -0.06 13.70 8.12 -0.26 14.50 8.85 3 0 10.14 -999 ? CH1 MLY C 70 >VAL^C 94 1.33 18.61 9.28 1.97 19.98 10.84 1.65 19.29 10.06 3 0 9.72 -999 ? CH1 MLY C 70 >ASP^C 95 1.33 20.75 5.00 2.08 21.14 3.05 1.70 20.94 4.03 2 0 3.34 -999 ? CE MLY C 70 >THR^C 96 5.71 21.33 7.15 6.99 19.73 7.84 6.35 20.53 7.49 2 0 6.58 -999 ? N MLY C 70 >SER^C 97 7.08 22.47 3.83 6.52 24.80 3.88 6.80 23.63 3.86 2 0 7.23 -999 ? N MLY C 70 >SER^C 98 10.44 22.20 5.53 11.86 23.57 6.94 11.15 22.89 6.23 2 0 8.63 -999 ? N MLY C 132 >LEU^C 99 13.68 19.13 5.72 15.59 19.55 4.77 14.63 19.34 5.25 3 0 5.83 -999 ? CB PLM C 275 >GLY^C 100 15.74 19.57 9.58 14.94 19.74 9.73 15.34 19.65 9.66 1 0 7.00 -999 ? CD PLM C 275 >MET?C 101 15.71 21.42 12.85 16.57 19.79 15.73 16.14 20.61 14.29 2 0 11.92 -999 ? CD PLM C 275 >ALA^C 102 12.99 23.92 11.94 12.74 24.66 10.62 12.87 24.29 11.28 2 0 7.69 -999 ? N MLY C 132 >VAL^C 103 10.74 20.85 12.03 9.96 19.62 10.37 10.35 20.24 11.20 3 0 9.50 -999 ? N MLY C 132 >GLY^C 104 12.69 19.51 15.07 12.25 20.22 14.95 12.47 19.86 15.01 1 0 12.05 -999 ? N MLY C 132 >ALA^C 105 11.96 22.77 16.96 12.61 24.20 16.73 12.29 23.48 16.84 2 0 9.77 -999 ? N MLY C 132 >ALA^C 106 8.31 22.62 15.95 7.69 22.62 14.54 8.00 22.62 15.25 2 0 7.32 -999 ? N MLY C 132 >ALA^C 107 8.15 19.06 17.37 8.89 17.78 16.86 8.52 18.42 17.12 2 0 11.66 -999 ? N MLY C 115 >MET?C 108 9.83 20.13 20.58 14.01 20.69 20.04 11.92 20.41 20.31 2 0 12.00 -999 ? CD MLY C 115 >ALA^C 109 7.44 23.06 20.89 7.28 24.31 19.94 7.36 23.69 20.41 2 0 10.15 -999 ? N MLY C 132 >ALA^C 110 4.49 20.68 20.35 4.11 20.03 19.02 4.30 20.35 19.68 2 0 8.33 -999 ? N MLY C 115 >ALA^C 111 5.83 17.93 22.62 7.11 17.15 22.41 6.47 17.54 22.51 2 0 6.02 -999 ? CD MLY C 115 >ARG^C 112 9.55 22.07 25.53 9.32 24.62 23.76 9.44 23.35 24.65 2 0 9.56 -999 ? CB MLY C 115 >MET?C 113 2.70 21.48 25.24 1.21 24.70 23.28 1.95 23.09 24.26 2 0 8.16 -999 ? N MLY C 115 >ALA^C 114 1.53 17.88 24.99 2.10 16.84 24.03 1.81 17.36 24.51 2 0 3.10 -999 ? N MLY C 115 >ASP^C 116 1.62 21.35 30.04 3.65 21.73 30.24 2.63 21.54 30.14 2 0 4.07 -999 ? C MLY C 115 >GLY^C 117 -1.88 18.25 28.69 -1.56 18.86 28.32 -1.72 18.55 28.51 1 0 4.54 -999 ? C MLY C 115 >ALA^C 118 -2.53 20.43 25.60 -1.51 21.26 24.84 -2.02 20.85 25.22 2 0 6.14 -999 ? N MLY C 115 >SER^C 119 -5.13 19.27 23.05 -6.14 21.12 21.89 -5.64 20.19 22.47 2 0 10.98 -999 ? N MLY C 115 >LEU^C 120 -4.82 16.80 18.85 -3.91 15.55 17.32 -4.37 16.17 18.08 3 0 11.56 -999 ? N MLY C 115 >GLN^C 121 -7.06 22.97 17.33 -6.55 22.95 15.25 -6.80 22.96 16.29 2 0 10.33 -999 ? CH1 MLY C 132 >GLU^C 122 -4.23 24.43 22.22 -5.04 24.04 24.11 -4.64 24.24 23.16 2 0 10.65 -999 ? N MLY C 115 >CYH^C 123 -0.05 21.15 19.60 0.06 19.36 21.63 0.01 20.26 20.62 2 0 6.27 -999 ? N MLY C 115 >TYR^C 124 -2.17 21.50 13.80 -2.37 22.24 11.14 -2.27 21.87 12.47 3 0 8.66 -999 ? CH1 MLY C 132 >ASP^C 125 -2.16 26.01 17.11 -4.07 25.93 16.16 -3.12 25.97 16.63 2 0 7.84 -999 ? CH1 MLY C 132 >ILE^C 126 2.51 25.28 19.65 3.15 25.73 19.90 2.83 25.50 19.78 3 0 10.07 -999 ? N MLY C 132 >ALA^C 127 4.04 23.51 15.62 3.72 22.06 15.23 3.88 22.79 15.43 2 0 8.42 -999 ? N MLY C 132 >VAL^C 128 2.73 25.62 12.71 0.87 25.63 11.49 1.80 25.63 12.10 3 0 4.98 -999 ? CD MLY C 132 >ASP^C 129 3.11 29.11 15.99 3.69 31.02 16.64 3.40 30.06 16.32 2 0 6.06 -999 ? CB MLY C 132 >THR^C 130 7.15 27.69 15.05 8.09 26.41 16.55 7.62 27.05 15.80 2 0 6.40 -999 ? N MLY C 132 >LEU^C 131 6.70 25.68 10.58 7.17 23.53 10.56 6.93 24.60 10.57 3 0 4.27 -999 ? N MLY C 132 >ARG^C 133 7.54 33.12 15.86 8.32 30.94 17.92 7.93 32.03 16.89 2 0 7.28 -999 ? C MLY C 132 >SER^C 134 11.59 29.51 11.02 10.80 27.46 9.93 11.19 28.48 10.47 2 0 4.82 -999 ? N MLY C 132 >GLU^C 135 14.11 32.30 8.06 12.88 32.67 6.44 13.49 32.49 7.25 2 0 6.61 -999 ? O MLY C 132 >THR^C 136 16.34 27.13 6.82 15.80 25.05 7.03 16.07 26.09 6.93 2 0 7.74 -999 ? CD PLM C 275 >TRP^C 137 19.13 31.04 3.99 18.07 32.66 7.44 18.60 31.85 5.71 3 0 7.09 -999 ? O MLY C 191 >ILE^C 138 21.29 24.08 2.63 20.96 22.92 3.53 21.12 23.50 3.08 3 0 -4.29 -999 ? CD PLM C 275s >TYR^C 139 28.00 26.43 2.40 30.43 26.34 0.97 29.21 26.38 1.68 3 0 7.84 -999 ? C MLY C 187 >LEU^C 140 25.40 23.19 -1.60 23.68 21.85 -1.33 24.54 22.52 -1.46 3 0 6.97 -999 ? CB PLM C 275 >HIS^C 141 32.42 22.51 -0.31 34.39 23.12 -0.69 33.40 22.81 -0.50 3 0 11.34 -999 ? N MLY C 187 >ARG^C 142 30.97 17.27 -2.38 31.90 15.59 -4.76 31.43 16.43 -3.57 2 0 7.86 -999 ? CH2 MLY C 148 >ILE^C 143 26.82 21.57 -7.58 26.35 22.37 -7.55 26.58 21.97 -7.56 3 0 7.99 -999 ? N MLY C 148 >ASP^C 144 28.39 16.03 -7.35 28.54 14.22 -8.44 28.46 15.13 -7.90 2 0 3.23 -999 ? CH1 MLY C 148 >GLU^C 145 26.27 13.98 -3.36 28.23 14.80 -3.74 27.25 14.39 -3.55 2 0 6.61 -999 ? CH2 MLY C 148 >ILE^C 146 22.16 19.45 -4.54 21.45 19.74 -4.29 21.80 19.60 -4.42 3 0 5.89 -999 ? N MLY C 148 >TRP^C 147 22.74 17.66 -12.04 23.97 21.32 -12.93 23.35 19.49 -12.49 3 0 -3.45 -999 ? O2 FMT C 276s >SER^C 149 18.83 14.43 -6.24 18.48 16.62 -5.22 18.65 15.52 -5.73 2 0 4.40 -999 ? C MLY C 148 >GLY^C 150 15.96 15.86 -8.28 16.28 16.21 -7.63 16.12 16.03 -7.96 1 0 4.56 -999 ? O MLY C 148 >ARG^C 151 14.52 15.70 -4.05 14.77 12.78 -3.03 14.64 14.24 -3.54 2 0 -3.83 -999 ? O2 PLM C 275s >ILE^C 152 17.65 22.10 -7.30 19.04 22.11 -6.82 18.34 22.11 -7.06 3 0 -5.70 -999 ? O1 FMT C 276s >SER^C 153 14.95 22.90 -10.78 15.17 25.30 -10.82 15.06 24.10 -10.80 2 0 6.95 -999 ? O1 FMT C 276 >THR^C 154 17.18 23.02 -13.80 16.15 21.83 -15.27 16.67 22.43 -14.54 2 0 -4.59 -999 ? C FMT C 276s >ALA^C 155 17.15 26.82 -13.65 15.96 27.68 -13.60 16.55 27.25 -13.62 2 0 9.10 -999 ? O1 FMT C 276 >THR^C 156 18.53 26.51 -10.10 17.58 26.30 -8.14 18.05 26.41 -9.12 2 0 8.19 -999 ? O1 FMT C 276 >ALA^C 157 21.10 23.94 -11.24 20.75 22.72 -12.07 20.92 23.33 -11.65 2 0 3.84 -999 ? O2 FMT C 276 >MET?C 158 22.41 26.28 -13.95 23.06 24.73 -16.75 22.73 25.51 -15.35 2 0 7.77 -999 ? O2 FMT C 276 >VAL^C 159 22.71 29.26 -11.65 21.31 30.77 -10.84 22.01 30.02 -11.25 3 0 6.20 -999 ? CG MLY C 181 >SER^C 160 24.80 27.04 -9.28 24.30 24.65 -9.34 24.55 25.85 -9.31 2 0 7.83 -999 ? O2 FMT C 276 >THR^C 161 27.19 26.75 -12.23 26.91 26.02 -14.28 27.05 26.39 -13.26 2 0 10.05 -999 ? O2 FMT C 276 >ALA^C 162 28.67 30.32 -12.39 28.76 30.86 -13.81 28.72 30.59 -13.10 2 0 9.36 -999 ? CB MLY C 181 >LEU^C 163 25.34 33.47 -10.61 24.96 35.08 -12.09 25.15 34.27 -11.35 3 0 4.44 -999 ? CD MLY C 181 >ALA^C 164 26.37 30.76 -7.24 24.87 30.74 -6.77 25.62 30.75 -7.00 2 0 3.54 -999 ? CA MLY C 181 >THR^C 165 29.06 28.05 -7.48 30.64 28.86 -8.74 29.85 28.45 -8.11 2 0 7.89 -999 ? C MLY C 181 >ARG^C 166 32.19 26.09 -3.06 34.27 24.10 -4.14 33.23 25.10 -3.60 2 0 11.43 -999 ? N MLY C 187 >PRO^C 167 24.85 26.61 -4.11 26.15 28.18 -3.14 25.50 27.39 -3.62 3 0 6.85 -999 ? CA MLY C 181 >ILE^C 168 23.23 30.49 0.84 23.81 30.08 2.10 23.52 30.28 1.47 3 0 6.11 -999 ? CB MLY C 191 >MET?C 169 20.03 27.40 -0.56 20.39 25.92 -3.57 20.21 26.66 -2.07 2 0 8.83 -999 ? CB PLM C 275 >ARG^C 170 15.12 31.50 1.00 12.64 31.98 2.72 13.88 31.74 1.86 2 0 9.03 -999 ? O MLY C 132 >PHE^C 171 13.35 24.84 2.17 14.77 22.47 2.12 14.06 23.66 2.15 3 0 6.87 -999 ? C9 PLM C 275 >ASN^C 172 10.17 30.22 -1.14 11.91 30.55 -2.29 11.04 30.38 -1.71 2 0 11.08 -999 ? CH2 MLY C 181 >GLY^C 173 6.89 27.07 -1.13 7.59 26.77 -0.76 7.24 26.92 -0.94 1 0 8.11 -999 ? CH2 MLY C 70 >GLY^C 174 8.56 23.93 0.18 8.92 24.43 -0.39 8.74 24.18 -0.10 1 0 6.45 -999 ? N MLY C 70 >ARG^C 175 8.42 25.29 -5.62 7.60 28.30 -5.71 8.01 26.80 -5.66 2 0 10.54 -999 ? CH2 MLY C 70 >MET?C 176 14.81 24.59 -2.57 17.70 21.98 -1.12 16.25 23.29 -1.84 2 0 4.07 -999 ? C9 PLM C 275 >GLU^C 177 13.86 27.71 -5.33 11.91 28.62 -5.43 12.89 28.17 -5.38 2 0 10.95 -999 ? CH2 MLY C 181 >ILE^C 178 20.07 30.42 -5.49 20.85 30.09 -6.07 20.46 30.26 -5.78 3 0 5.10 -999 ? CG MLY C 181 >ALA^C 179 19.23 32.48 -1.45 19.15 31.97 -0.01 19.19 32.22 -0.73 2 0 6.73 -999 ? N MLY C 181 >ALA^C 180 22.67 33.90 -2.17 23.44 33.86 -0.84 23.05 33.88 -1.51 2 0 3.40 -999 ? CG MLY C 191 >THR^C 182 28.04 33.15 -3.77 27.29 33.11 -1.77 27.67 33.13 -2.77 2 0 3.49 -999 ? C MLY C 181 >ARG^C 183 31.29 33.14 -8.63 33.82 34.88 -8.47 32.56 34.01 -8.55 2 0 7.81 -999 ? O MLY C 181 >THR^C 184 33.39 30.85 -2.14 34.64 32.60 -2.18 34.01 31.72 -2.16 2 0 4.15 -999 ? CG MLY C 187 >GLN^C 185 32.73 28.01 3.34 33.85 26.48 4.31 33.29 27.25 3.83 2 0 8.18 -999 ? N MLY C 187 >SER^C 186 33.73 32.80 2.95 36.03 33.11 3.48 34.88 32.96 3.22 2 0 4.32 -999 ? N MLY C 187 >ALA^C 188 28.64 32.12 1.38 28.75 30.67 1.06 28.69 31.39 1.22 2 0 3.71 -999 ? C MLY C 187 >PHE^C 189 30.40 30.33 6.07 30.61 27.55 6.34 30.50 28.94 6.20 3 0 7.25 -999 ? N MLY C 187 >ALA^C 190 29.15 36.11 5.23 30.16 36.99 4.50 29.66 36.55 4.86 2 0 3.16 -999 ? N MLY C 191 >LEU^C 192 24.68 32.32 5.52 23.40 30.66 6.18 24.04 31.49 5.85 3 0 4.70 -999 ? C MLY C 191 >VAL^C 193 25.06 35.61 8.55 26.95 35.82 9.75 26.00 35.72 9.15 3 0 5.15 -999 ? C MLY C 191 >GLU^C 194 23.65 40.68 5.24 24.62 41.54 3.59 24.13 41.11 4.42 2 0 3.67 -999 ? NZ MLY C 191 >LEU^C 195 20.37 36.14 5.00 20.23 36.23 2.79 20.30 36.19 3.90 3 0 3.62 -999 ? O MLY C 191 >ALA^C 196 20.10 35.85 9.52 21.02 34.82 10.18 20.56 35.34 9.85 2 0 6.55 -999 ? O MLY C 191 >GLN^C 197 23.23 40.04 11.64 24.06 42.01 11.67 23.65 41.03 11.65 2 0 9.07 -999 ? O MLY C 191 >ILE^C 198 18.40 41.30 7.58 18.53 41.99 6.40 18.47 41.65 6.99 3 0 7.36 -999 ? CH2 MLY C 191 >ARG^C 199 13.46 36.61 8.76 11.34 35.69 10.80 12.40 36.15 9.78 2 0 5.39 -999 ? O MLY C 132 >ALA^C 200 16.45 38.37 13.51 17.74 38.11 14.25 17.10 38.24 13.88 2 0 11.63 -999 ? O MLY C 191 >ASP^C 201 13.88 41.87 13.30 12.78 43.67 13.67 13.33 42.77 13.48 2 0 13.25 -999 ? O MLY C 132 >GLY^C 202 17.33 42.58 16.88 16.89 41.93 16.78 17.11 42.25 16.83 1 0 14.13 -999 ? CH1 MLY A 148 >GLU^C 203 13.45 40.69 18.14 11.80 41.09 19.32 12.62 40.89 18.73 2 0 12.84 -999 ? CH2 MLY A 181 >PRO^C 204 16.53 37.29 22.21 16.75 37.06 19.98 16.64 37.17 21.09 3 0 12.01 -999 ? CG MLY A 148 >VAL^C 205 17.22 33.50 17.61 17.77 33.86 15.55 17.50 33.68 16.58 3 0 12.15 -999 ? O MLY C 132 >PHE^C 206 16.62 27.47 18.69 17.39 24.77 18.65 17.00 26.12 18.67 3 0 13.52 -999 ? N MLY C 132 >ILE^C 207 21.24 29.12 15.63 21.31 29.65 14.19 21.28 29.39 14.91 3 0 11.00 -999 ? O MLY C 219 >ALA^C 208 20.73 24.62 15.12 19.71 23.54 15.10 20.22 24.08 15.11 2 0 11.38 -999 ? CD PLM C 275 >ILE^C 209 25.07 24.85 13.13 26.02 25.88 12.78 25.55 25.37 12.96 3 0 6.37 -999 ? N MLY C 219 >GLY^C 210 24.18 20.76 11.05 24.60 21.45 10.73 24.39 21.11 10.89 1 0 7.60 -999 ? CD PLM C 275 >GLN^C 211 29.54 19.62 10.21 29.95 17.58 10.52 29.75 18.60 10.36 2 0 8.14 -999 ? N MLY C 219 >ASN^C 212 27.77 16.93 5.35 26.54 15.34 5.03 27.16 16.14 5.19 2 0 7.24 -999 ? CC PLM C 275 >GLU^C 213 31.92 13.82 5.82 32.61 12.64 4.16 32.27 13.23 4.99 2 0 13.69 -999 ? CC PLM C 275 >ALA^C 214 32.55 19.88 7.70 31.84 20.75 6.66 32.19 20.31 7.18 2 0 7.61 -999 ? N MLY C 219 >ARG^C 215 33.52 16.89 13.49 30.84 15.42 14.08 32.18 16.16 13.78 2 0 7.56 -999 ? CH1 MLY C 219 >GLU^C 216 38.09 22.30 11.39 39.98 22.26 10.39 39.04 22.28 10.89 2 0 5.77 -999 ? CH2 MLY C 219 >ALA^C 217 33.50 24.99 8.80 33.12 24.48 7.41 33.31 24.73 8.10 2 0 5.66 -999 ? N MLY C 219 >ALA^C 218 30.44 24.53 10.99 29.67 23.22 11.33 30.06 23.88 11.16 2 0 3.32 -999 ? N MLY C 219 >GLN^C 220 35.70 28.51 10.85 36.63 27.84 9.01 36.16 28.17 9.93 2 0 6.28 -999 ? C MLY C 219 >LEU^C 221 29.18 28.81 9.86 27.40 29.44 8.79 28.29 29.13 9.33 3 0 6.37 -999 ? C MLY C 219 >GLU^C 222 28.22 28.34 16.60 28.53 26.74 17.89 28.37 27.54 17.24 2 0 5.23 -999 ? O MLY C 219 >GLU^C 223 33.38 31.03 16.75 32.85 31.76 18.71 33.12 31.39 17.73 2 0 5.55 -999 ? O MLY C 219 >LEU^C 224 30.40 34.14 11.37 32.22 34.30 10.15 31.31 34.22 10.76 3 0 7.12 -999 ? O MLY C 219 >LEU^C 225 25.79 32.55 13.70 24.64 31.94 11.86 25.22 32.25 12.78 3 0 8.24 -999 ? O MLY C 219 >ARG^C 226 28.96 31.77 20.03 27.36 29.65 21.61 28.16 30.71 20.82 2 0 8.00 -999 ? O MLY A 148 >ASN^C 227 30.38 37.93 16.14 32.03 37.03 17.16 31.20 37.48 16.65 2 0 9.21 -999 ? O MLY C 219 >ALA^C 228 26.33 38.97 14.57 26.32 38.46 13.15 26.33 38.72 13.86 2 0 9.21 -999 ? O MLY C 191 >LEU^C 229 22.68 36.31 16.13 21.76 35.34 14.42 22.22 35.83 15.27 3 0 10.92 -999 ? O MLY C 191 >PRO^C 230 19.55 39.75 17.45 21.48 39.17 18.42 20.51 39.46 17.94 3 0 11.33 -999 ? CH1 MLY A 148 >GLU^C 231 23.82 40.60 23.55 25.54 39.36 23.21 24.68 39.98 23.38 2 0 4.52 -999 ? CE MLY A 148 >GLY^C 232 20.22 35.87 24.17 20.56 35.78 23.43 20.39 35.83 23.80 1 0 7.22 -999 ? N MLY A 148 >SER^C 233 20.40 33.70 21.09 20.33 35.21 19.19 20.36 34.45 20.14 2 0 10.73 -999 ? CG MLY A 148 >SER^C 234 21.02 29.97 21.29 20.20 28.33 22.76 20.61 29.15 22.03 2 0 9.76 -999 ? N MLY A 148 >PHE^C 235 24.55 29.71 18.60 24.25 32.34 17.78 24.40 31.02 18.19 3 0 9.08 -999 ? O MLY C 219 >MET?C 236 22.88 23.87 19.10 19.50 21.27 19.38 21.19 22.57 19.24 2 0 14.51 -999 ? N MLY C 219 >SER^C 237 24.98 21.41 17.00 27.34 21.96 17.23 26.16 21.69 17.11 2 0 6.62 -999 ? CG MLY C 219 >VAL^C 238 23.20 18.56 15.26 21.23 19.46 14.97 22.21 19.01 15.12 3 0 10.76 -999 ? CD PLM C 275 >ASP^C 239 24.20 14.23 13.63 25.65 14.27 15.11 24.93 14.25 14.37 2 0 11.99 -999 ? CE MLY C 219 >ILE^C 240 23.18 16.48 8.40 23.01 17.35 7.15 23.10 16.92 7.78 3 0 4.89 -999 ? CD PLM C 275 >ASP^C 241 18.88 12.88 8.60 17.91 11.10 7.91 18.39 11.99 8.26 2 0 7.38 -999 ? C4 PLM C 275 >PRO^C 242 22.54 8.90 8.51 21.95 10.59 7.17 22.25 9.75 7.84 3 0 9.96 -999 ? C4 PLM C 275 >THR^C 243 19.45 10.36 4.02 17.53 9.65 4.78 18.49 10.01 4.40 2 0 4.95 -999 ? C2 PLM C 275 >LEU^C 244 19.56 15.20 4.79 17.57 15.90 5.43 18.56 15.55 5.11 3 0 3.98 -999 ? CC PLM C 275 >ALA^C 245 23.67 13.69 3.63 24.55 12.96 4.69 24.11 13.33 4.16 2 0 7.19 -999 ? CC PLM C 275 >VAL^C 246 23.38 11.47 0.48 22.41 9.52 -0.01 22.90 10.49 0.23 3 0 7.74 -999 ? C6 PLM C 275 >HIS^C 247 19.50 13.12 -1.76 18.61 11.30 -2.32 19.06 12.21 -2.04 3 0 4.52 -999 ? C6 PLM C 275 >SER^C 248 23.93 17.16 -0.17 23.84 17.01 2.18 23.88 17.09 1.01 2 0 4.01 -999 ? CC PLM C 275 >GLY^C 249 27.39 15.66 0.01 27.14 16.12 0.59 27.26 15.89 0.30 1 0 8.32 -999 ? CC PLM C 275 >PRO^C 250 31.50 14.79 0.42 30.04 16.12 1.53 30.77 15.46 0.98 3 0 11.15 -999 ? CC PLM C 275 >GLY^C 251 31.12 20.01 2.99 30.36 19.73 3.12 30.74 19.87 3.06 1 0 10.69 -999 ? CD PLM C 275 >ALA^C 252 27.47 20.96 3.48 26.24 20.17 3.01 26.86 20.57 3.24 2 0 5.92 -999 ? CD PLM C 275 >VAL^C 253 26.44 23.05 6.48 28.06 24.13 7.55 27.25 23.59 7.02 3 0 7.65 -999 ? N MLY C 219 >SER^C 254 22.84 23.79 7.43 22.17 21.68 8.40 22.51 22.73 7.92 2 0 4.76 -999 ? CD PLM C 275 >VAL^C 255 21.40 26.56 9.55 22.44 28.47 9.87 21.92 27.51 9.71 3 0 9.67 -999 ? CD PLM C 275 >SER^C 256 17.90 26.07 11.01 17.70 23.64 10.70 17.80 24.85 10.85 2 0 7.99 -999 ? CD PLM C 275 >ALA^C 257 16.69 29.18 12.73 17.30 30.43 12.08 17.00 29.81 12.40 2 0 10.28 -999 ? O MLY C 132 >VAL^C 258 13.65 29.95 14.82 12.38 28.42 15.71 13.02 29.18 15.26 3 0 7.70 -999 ? C MLY C 132 >PHE^C 259 14.27 34.26 13.00 16.56 33.88 11.48 15.42 34.07 12.24 3 0 8.56 -999 ? O MLY C 132 >ALA^C 260 10.92 35.74 17.48 11.39 36.97 18.29 11.16 36.36 17.88 2 0 10.37 -999 ? O MLY C 132 >ASN^C 261 8.31 38.27 14.64 7.79 39.10 16.50 8.05 38.68 15.57 2 0 9.50 -999 ? O MLY C 132 >GLN^C 262 5.03 34.89 11.75 3.16 34.33 10.92 4.10 34.61 11.33 2 0 3.77 -999 ? CH2 MLY C 132 >ALA^C 263 9.08 36.84 8.07 9.26 35.84 6.89 9.17 36.34 7.48 2 0 5.23 -999 ? O MLY C 132 >PRO^C 264 4.97 37.87 6.59 6.99 38.92 6.89 5.98 38.39 6.74 3 0 7.22 -999 ? O MLY C 132