REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 09-APR-07 2PGC COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D, E; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED MARINE ORGANISM; SOURCE 3 ORGANISM_TAXID: 360281; SOURCE 4 GENE: SYNTHETIC GENE: THE GENE PRODUCT WAS BASED ON SOURCE 5 JCVI_PEP_1096685590403 FROM THE SORCERER II GLOBAL OCEAN SAMPLING SOURCE 6 EXPERIMENT; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 22 8 HET MSE A 26 8 HET MSE A 85 8 HET MSE A 124 8 HET MSE A 172 8 HET MSE A 192 8 HET MSE A 199 8 HET MSE B 22 8 HET MSE B 26 8 HET MSE B 85 8 HET MSE B 124 8 HET MSE B 172 8 HET MSE B 192 8 HET MSE B 199 8 HET MSE C 22 8 HET MSE C 26 8 HET MSE C 85 8 HET MSE C 124 14 HET MSE C 172 8 HET MSE C 192 8 HET MSE C 199 8 HET MSE D 22 8 HET MSE D 26 8 HET MSE D 85 8 HET MSE D 124 13 HET MSE D 172 8 HET MSE D 192 8 HET MSE D 199 8 HET MSE E 22 8 HET MSE E 26 8 HET MSE E 85 8 HET MSE E 124 8 HET MSE E 172 8 HET MSE E 192 8 HET MSE E 199 8 HET CL D 207 1 HET CL A 207 1 HET CL B 207 1 HET CL C 207 1 HET CL D 208 1 HET CL E 207 1 SITE 1 AC1 2 ARG D 19 SER D 46 SITE 1 AC2 4 THR A 118 TYR A 179 TYR A 188 ARG A 200 SITE 1 AC3 3 THR B 118 TYR B 179 ARG B 200 SITE 1 AC4 3 THR C 118 TYR C 179 ARG C 200 SITE 1 AC5 3 THR D 118 TYR D 179 ARG D 200 SITE 1 AC6 3 THR E 118 TYR E 179 ARG E 200 >MET?A 1 105.49 80.31 39.02 107.50 82.80 37.97 106.49 81.56 38.50 2 0 26.05 -999 ? CL CL A 207 >SER.A 2 106.41 77.50 36.65 106.88 75.49 37.93 106.64 76.49 37.29 2 0 28.93 -999 ? CL CL A 207 >ASN.A 3 101.50 77.27 37.15 101.04 75.40 38.05 101.27 76.33 37.60 2 0 25.50 -999 ? CL CL A 207 >ILE.A 4 103.85 81.44 34.12 103.35 81.97 34.57 103.60 81.71 34.34 3 0 21.67 -999 ? CL CL A 207 >ASN^A 5 102.81 78.38 29.35 102.47 76.51 30.37 102.64 77.45 29.86 2 0 22.34 -999 ? CL CL A 207 >TYR^A 6 106.94 81.86 28.86 107.68 82.04 31.54 107.31 81.95 30.20 3 0 23.03 -999 ? CL CL A 207 >VAL^A 7 103.80 82.65 23.84 101.68 82.63 23.58 102.74 82.64 23.71 3 0 17.84 -999 ? CL CL A 207 >ILE^A 8 107.27 83.46 20.50 107.88 83.30 21.07 107.57 83.38 20.78 3 0 22.07 -999 ? CL CL A 207 >LEU^A 9 103.05 87.06 18.89 101.65 86.81 20.51 102.35 86.94 19.70 3 0 16.28 -999 ? CL CL A 207 >THR^A 10 105.95 87.12 15.19 107.78 86.21 14.65 106.86 86.66 14.92 2 0 23.10 -999 ? CL CL A 207 >VAL^A 11 104.53 89.34 12.46 102.83 90.59 12.99 103.68 89.97 12.73 3 0 19.14 -999 ? CL CL B 207 >ALA^A 12 105.93 89.69 8.93 106.74 88.51 8.53 106.33 89.10 8.73 2 0 19.96 -999 ? CL CL B 207 >SER^A 13 104.87 91.44 5.77 106.34 93.29 5.34 105.61 92.37 5.55 2 0 17.96 -999 ? CL CL B 207 >VAL^A 14 104.90 88.98 2.86 104.81 86.85 3.43 104.85 87.91 3.14 3 0 17.02 -999 ? CL CL B 207 >ASP.A 15 105.40 89.17 -1.98 107.12 90.42 -1.81 106.26 89.79 -1.90 2 0 18.71 -999 ? CL CL B 207 >PHE.A 16 98.48 88.31 -2.52 95.96 87.04 -2.62 97.22 87.67 -2.57 3 0 10.78 -999 ? CL CL B 207 >SER.A 17 102.23 85.65 -4.29 103.92 87.10 -5.21 103.07 86.38 -4.75 2 0 17.50 -999 ? CL CL B 207 >TYR~A 18 106.86 83.77 -0.77 108.93 82.09 0.09 107.90 82.93 -0.34 3 0 21.78 -999 ? CL CL B 207 >ARG~A 19 99.12 86.44 0.97 97.02 86.46 3.26 98.07 86.45 2.12 2 0 10.95 -999 ? CL CL B 207 >GLU~A 20 98.56 80.07 -1.11 97.32 79.74 -2.79 97.94 79.90 -1.95 2 0 16.57 -999 ? CL CL B 207 >THR~A 21 104.43 78.78 -0.41 105.94 79.07 -1.88 105.19 78.92 -1.15 2 0 22.52 -999 ? CL CL B 207 >MET?A 22 105.13 80.38 2.95 106.73 83.31 4.85 105.93 81.84 3.90 2 0 20.87 -999 ? CL CL B 207 >ALA~A 23 102.37 78.44 4.74 100.87 78.52 4.45 101.62 78.48 4.59 2 0 19.44 -999 ? CL CL B 207 >ARG~A 24 102.01 74.04 0.10 101.38 76.28 -1.89 101.70 75.16 -0.89 2 0 21.46 -999 ? CL CL B 207 >LEU~A 25 108.07 77.26 3.94 109.34 77.48 2.17 108.71 77.37 3.05 3 0 25.60 -999 ? CL CL B 207 >MET?A 26 106.01 77.04 7.80 107.51 79.88 8.96 106.76 78.46 8.38 2 0 24.35 -999 ? CL CL B 207 >SER~A 27 104.24 73.78 8.58 103.54 72.54 6.62 103.89 73.16 7.60 2 0 26.14 -999 ? CL CL B 207 >SER~A 28 107.57 72.03 7.93 108.83 70.78 6.27 108.20 71.41 7.10 2 0 30.64 -999 ? CL CL B 207 >TYR~A 29 110.22 76.78 11.00 111.66 78.18 12.94 110.94 77.48 11.97 3 0 29.33 -999 ? CL CL B 207 >SER~A 30 106.54 73.92 12.81 104.72 75.48 12.64 105.63 74.70 12.72 2 0 26.33 -999 ? CL CL A 207 >ASP~A 32 111.63 71.85 12.61 113.76 71.59 12.84 112.70 71.72 12.72 2 0 35.01 -999 ? CL CL A 207 >LEU~A 33 109.25 74.44 16.46 110.09 76.34 16.02 109.67 75.39 16.24 3 0 28.70 -999 ? CL CL A 207 >ILE~A 34 106.00 70.32 17.23 104.54 70.27 17.24 105.27 70.29 17.23 3 0 28.72 -999 ? CL CL A 207 >ASP~A 35 109.93 66.92 16.31 108.18 66.26 15.35 109.05 66.59 15.83 2 0 33.99 -999 ? CL CL A 207 >ASN~A 36 113.97 69.65 17.31 114.58 68.03 16.13 114.28 68.84 16.72 2 0 36.92 -999 ? CL CL A 207 >ALA~A 37 112.44 72.50 20.36 112.13 73.82 19.65 112.29 73.16 20.01 2 0 30.84 -999 ? CL CL A 207 >GLY.A 38 109.66 71.09 22.59 109.56 71.68 22.04 109.61 71.38 22.31 1 0 30.39 -999 ? CL CL A 207 >ALA.A 39 107.12 73.57 21.22 107.13 74.18 19.83 107.13 73.88 20.53 2 0 26.73 -999 ? CL CL A 207 >LYS.A 40 103.65 72.75 22.56 104.15 70.58 27.49 103.90 71.67 25.02 2 0 27.20 -999 ? CL CL A 207 >GLY.A 41 101.97 73.78 19.29 102.67 74.18 19.47 102.32 73.98 19.38 1 0 23.59 -999 ? CL CL A 207 >THR^A 42 102.11 76.57 16.73 103.69 75.78 15.52 102.90 76.18 16.13 2 0 24.33 -999 ? CL CL A 207 >ARG^A 43 96.86 77.74 16.34 96.10 75.35 18.15 96.48 76.54 17.24 2 0 19.45 -999 ? CL CL A 207 >PHE^A 44 101.86 80.61 9.52 103.13 82.25 7.68 102.49 81.43 8.60 3 0 19.65 -999 ? CL CL B 207 >GLY^A 45 97.75 82.76 9.78 98.46 83.15 9.82 98.10 82.95 9.80 1 0 16.39 -999 ? CL CL B 207 >SER^A 46 96.99 86.03 8.08 95.00 85.93 6.73 96.00 85.98 7.41 2 0 11.23 -999 ? CL CL B 207 >ILE^A 47 96.88 90.19 10.66 97.58 90.82 11.58 97.23 90.50 11.12 3 0 13.37 -999 ? CL CL B 207 >GLY.A 48 92.53 89.93 8.69 92.87 90.45 9.20 92.70 90.19 8.95 1 0 9.14 -999 ? CL CL B 207 >THR.A 49 91.91 93.31 10.30 90.48 92.40 11.64 91.20 92.85 10.97 2 0 10.72 -999 ? CL CL B 207 >GLY.A 50 93.48 96.53 11.58 93.53 96.29 10.79 93.51 96.41 11.18 1 0 11.85 -999 ? CL CL B 207 >HIS.A 52 99.84 95.39 11.90 101.02 96.59 13.15 100.43 95.99 12.52 3 0 16.44 -999 ? CL CL B 207 >ALA.A 53 95.73 93.61 7.63 94.48 94.28 7.10 95.11 93.95 7.36 2 0 8.25 -999 ? CL CL B 207 >GLY.A 54 97.48 91.29 5.17 97.76 91.32 5.93 97.62 91.31 5.55 1 0 9.75 -999 ? CL CL B 207 >SER.A 55 100.57 90.68 7.30 101.53 92.82 7.98 101.05 91.75 7.64 2 0 14.41 -999 ? CL CL B 207 >LEU^A 56 101.93 86.10 7.42 100.99 85.39 5.57 101.46 85.75 6.50 3 0 15.71 -999 ? CL CL B 207 >ILE^A 57 100.39 86.65 12.93 99.46 86.66 14.04 99.93 86.66 13.48 3 0 17.13 -999 ? CL CL A 207 >PHE^A 58 105.13 81.34 13.35 106.07 78.78 13.89 105.60 80.06 13.62 3 0 23.99 -999 ? CL CL A 207 >ILE^A 59 100.98 82.10 17.63 99.87 82.73 18.16 100.43 82.41 17.89 3 0 17.15 -999 ? CL CL A 207 >GLN^A 60 106.62 80.04 17.65 108.71 80.54 17.48 107.66 80.29 17.57 2 0 24.95 -999 ? CL CL A 207 >PHE^A 61 101.22 78.00 22.06 99.10 79.30 20.80 100.16 78.65 21.43 3 0 18.45 -999 ? CL CL A 207 >TYR^A 62 108.28 77.62 23.46 109.26 77.57 20.81 108.77 77.60 22.13 3 0 25.69 -999 ? CL CL A 207 >ASP.A 63 106.36 74.39 29.19 104.64 73.24 28.80 105.50 73.82 28.99 2 0 25.73 -999 ? CL CL A 207 >ASP~A 64 110.57 76.51 30.00 109.78 75.30 31.53 110.18 75.90 30.77 2 0 28.77 -999 ? CL CL A 207 >LEU~A 65 112.24 81.43 28.49 110.93 83.18 28.40 111.59 82.31 28.44 3 0 26.33 -999 ? CL CL A 207 >THR~A 66 114.43 77.34 27.55 115.48 75.96 28.85 114.95 76.65 28.20 2 0 32.56 -999 ? CL CL A 207 >GLY~A 67 112.10 75.94 24.90 112.52 76.65 24.94 112.31 76.29 24.92 1 0 29.33 -999 ? CL CL A 207 >TYR~A 68 111.90 81.60 22.18 112.32 83.52 20.15 112.11 82.56 21.17 3 0 26.51 -999 ? CL CL A 207 >GLN~A 69 118.42 79.35 24.32 119.54 79.82 26.03 118.98 79.59 25.18 2 0 27.54 -999 ? CL CL E 207 >ALA~A 71 113.93 77.05 19.00 112.60 77.75 19.25 113.26 77.40 19.12 2 0 29.21 -999 ? CL CL A 207 >LEU~A 72 116.97 80.88 19.26 116.19 82.92 19.45 116.58 81.90 19.35 3 0 25.22 -999 ? CL CL E 207 >GLU~A 73 120.77 77.20 19.99 120.78 76.69 22.12 120.78 76.95 21.06 2 0 28.89 -999 ? CL CL E 207 >ILE~A 74 115.45 74.72 15.75 115.63 73.39 15.52 115.54 74.06 15.63 3 0 32.50 -999 ? CL CL E 207 >GLN~A 75 114.93 80.25 13.94 114.79 82.25 14.56 114.86 81.25 14.25 2 0 25.64 -999 ? CL CL E 207 >SER~A 76 120.23 78.82 12.70 121.00 78.08 14.91 120.61 78.45 13.81 2 0 26.86 -999 ? CL CL E 207 >SER~A 78 117.08 75.18 9.42 114.64 75.26 9.17 115.86 75.22 9.30 2 0 32.50 -999 ? CL CL E 207 >SER~A 79 117.12 75.15 5.61 118.13 72.96 5.42 117.63 74.06 5.52 2 0 34.25 -999 ? CL CL E 207 >VAL~A 80 113.39 76.00 5.47 111.55 74.86 5.95 112.47 75.43 5.71 3 0 30.04 -999 ? CL CL B 207 >PHE~A 81 114.52 80.53 9.57 114.49 83.14 10.63 114.50 81.84 10.10 3 0 26.76 -999 ? CL CL E 207 >LYS~A 82 117.10 80.08 5.48 122.12 81.05 3.86 119.61 80.57 4.67 2 0 26.60 -999 ? CL CL E 207 >GLU~A 83 113.62 78.58 0.42 113.03 76.68 -0.36 113.32 77.63 0.03 2 0 29.44 -999 ? CL CL B 207 >ILE~A 84 111.46 81.88 4.84 110.25 81.65 5.50 110.86 81.76 5.17 3 0 25.22 -999 ? CL CL B 207 >MET?A 85 114.90 84.72 4.60 113.98 85.73 7.55 114.44 85.23 6.08 2 0 24.73 -999 ? CL CL E 207 >ASP~A 86 117.71 83.15 0.92 119.52 82.87 1.99 118.61 83.01 1.45 2 0 26.78 -999 ? CL CL E 207 >SER~A 87 113.68 84.78 -0.68 111.57 85.04 0.54 112.63 84.91 -0.07 2 0 24.20 -999 ? CL CL B 207 >GLY~A 88 113.50 88.51 -0.02 112.89 87.96 -0.01 113.20 88.23 -0.01 1 0 25.13 -999 ? CL CL B 207 >LYS.A 89 109.72 87.98 0.03 109.28 86.35 -5.31 109.50 87.17 -2.64 2 0 22.52 -999 ? CL CL B 207 >ALA^A 90 109.20 87.95 3.81 109.15 86.60 4.40 109.18 87.27 4.10 2 0 21.64 -999 ? CL CL B 207 >ASN^A 91 109.87 92.18 5.59 110.59 93.72 6.92 110.23 92.95 6.26 2 0 22.47 -999 ? CL CL B 207 >ILE^A 92 110.59 89.22 10.86 110.85 88.10 11.72 110.72 88.66 11.29 3 0 23.89 -999 ? CL CL E 207 >TYR^A 93 106.75 94.40 10.49 103.97 94.17 10.23 105.36 94.29 10.36 3 0 18.92 -999 ? CL CL B 207 >LEU^A 94 106.11 93.09 15.03 105.17 94.21 16.63 105.64 93.65 15.83 3 0 20.09 -999 ? CL CL A 207 >ARG^A 95 110.63 86.89 17.96 112.45 86.93 15.44 111.54 86.91 16.70 2 0 23.36 -999 ? CL CL E 207 >ASN^A 96 106.18 91.06 21.41 107.10 93.00 21.23 106.64 92.03 21.32 2 0 19.94 -999 ? CL CL A 207 >ILE^A 97 108.05 87.03 24.78 109.12 86.00 25.07 108.58 86.52 24.92 3 0 21.84 -999 ? CL CL A 207 >SER^A 98 103.71 87.04 26.29 101.33 87.33 26.55 102.52 87.18 26.42 2 0 14.83 -999 ? CL CL A 207 >THR^A 99 103.05 85.10 29.49 103.04 86.31 31.21 103.05 85.70 30.35 2 0 18.05 -999 ? CL CL A 207 >SER^A 100 100.21 82.59 29.45 98.93 80.86 28.24 99.57 81.72 28.85 2 0 16.40 -999 ? CL CL A 207 >LEU.A 101 98.07 83.60 33.54 99.41 85.18 34.28 98.74 84.39 33.91 3 0 16.75 -999 ? CL CL A 207 >PRO.A 102 98.05 79.04 35.62 96.80 79.98 34.04 97.42 79.51 34.83 3 0 19.15 -999 ? CL CL A 207 >THR.A 103 92.56 80.08 33.42 92.58 80.82 31.37 92.57 80.45 32.40 2 0 14.14 -999 ? CL CL A 207 >LYS.A 104 89.44 78.19 34.40 88.29 79.20 40.61 88.87 78.70 37.50 2 0 20.81 -999 ? CL CL A 207 >PHE.A 105 88.29 78.40 28.46 87.12 78.30 25.92 87.71 78.35 27.19 3 0 13.75 -999 ? CL CL A 207 >GLN.A 107 92.61 74.87 27.38 92.17 76.80 26.62 92.39 75.83 27.00 2 0 15.89 -999 ? CL CL A 207 >SER.A 108 89.66 71.95 23.11 88.31 71.46 21.13 88.98 71.71 22.12 2 0 20.49 -999 ? CL CL A 207 >TYR.A 109 92.49 68.19 22.48 92.58 67.31 25.15 92.53 67.75 23.81 3 0 24.52 -999 ? CL CL A 207 >GLU.A 110 88.24 71.76 16.26 86.21 72.36 16.21 87.22 72.06 16.23 2 0 20.91 -999 ? CL CL A 207 >HIS.A 111 94.40 71.98 14.28 96.22 71.00 14.65 95.31 71.49 14.46 3 0 23.73 -999 ? CL CL A 207 >PRO.A 112 92.61 77.53 16.40 91.24 76.14 15.32 91.93 76.84 15.86 3 0 17.57 -999 ? CL CL A 207 >TYR^A 114 88.40 82.75 11.80 87.60 82.56 9.15 88.00 82.65 10.47 3 0 14.34 -999 ? CL CL B 207 >ILE^A 115 93.34 83.28 16.68 94.40 82.67 17.51 93.87 82.97 17.10 3 0 12.90 -999 ? CL CL A 207 >VAL^A 116 90.80 86.84 18.01 88.85 87.76 18.22 89.83 87.30 18.12 3 0 7.77 -999 ? CL CL A 207 >LEU^A 117 94.99 89.00 19.19 96.63 87.61 19.13 95.81 88.30 19.16 3 0 10.30 -999 ? CL CL A 207 >THR^A 118 92.57 91.43 22.18 90.61 91.69 22.95 91.59 91.56 22.57 2 0 -3.38 -999 ? CL CL A 207s >ARG^A 119 98.57 94.96 22.95 99.08 96.89 20.61 98.82 95.93 21.78 2 0 13.22 -999 ? CL CL A 207 >ALA^A 120 94.23 95.99 26.90 93.07 95.41 27.69 93.65 95.70 27.29 2 0 7.70 -999 ? CL CL A 207 >GLU^A 121 96.92 100.80 29.47 97.11 102.68 28.50 97.02 101.74 28.99 2 0 15.31 -999 ? CL CL A 207 >ALA.A 122 95.30 98.08 33.01 94.44 96.85 33.22 94.87 97.46 33.12 2 0 12.67 -999 ? CL CL A 207 >ALA~A 123 97.22 98.54 36.27 96.70 99.19 37.53 96.96 98.86 36.90 2 0 18.02 -999 ? CL CL A 207 >MET?A 124 99.41 95.54 37.29 101.30 93.45 35.03 100.35 94.50 36.16 2 0 17.82 -999 ? CL CL A 207 >SER~A 125 97.63 95.84 40.67 97.46 98.24 40.69 97.55 97.04 40.68 2 0 20.54 -999 ? CL CL A 207 >ASP~A 126 93.64 95.82 37.93 93.13 97.71 38.75 93.38 96.77 38.34 2 0 16.91 -999 ? CL CL A 207 >LYS~A 127 95.90 91.62 37.64 99.83 91.92 41.13 97.86 91.77 39.38 2 0 21.15 -999 ? CL CL A 207 >ASP~A 128 93.95 89.24 41.34 95.90 88.48 41.65 94.92 88.86 41.50 2 0 19.85 -999 ? CL CL A 207 >LYS~A 129 90.44 91.35 39.23 89.33 97.15 40.62 89.89 94.25 39.93 2 0 17.57 -999 ? CL CL A 207 >PHE~A 130 92.53 91.85 33.52 92.39 92.86 30.93 92.46 92.36 32.23 3 0 9.67 -999 ? CL CL A 207 >LEU~A 131 92.95 86.40 36.61 93.73 84.42 36.11 93.34 85.41 36.36 3 0 15.09 -999 ? CL CL A 207 >ASN~A 132 88.11 87.56 39.05 89.23 87.12 40.77 88.67 87.34 39.91 2 0 17.47 -999 ? CL CL A 207 >CYH~A 133 86.55 88.50 35.08 86.60 91.22 35.76 86.57 89.86 35.42 2 0 11.78 -999 ? CL CL A 207 >ILE~A 134 89.66 86.15 32.08 89.56 86.54 30.76 89.61 86.34 31.42 3 0 9.42 -999 ? CL CL A 207 >ASN~A 135 87.87 82.80 35.90 89.97 82.32 35.71 88.92 82.56 35.80 2 0 15.23 -999 ? CL CL A 207 >ASP~A 136 83.28 85.83 36.05 83.10 85.48 38.15 83.19 85.66 37.10 2 0 16.04 -999 ? CL CL A 207 >THR~A 137 83.00 84.87 31.53 83.75 86.85 30.98 83.38 85.86 31.26 2 0 9.26 -999 ? CL CL A 207 >ALA~A 138 84.66 81.57 30.53 85.42 80.63 31.44 85.04 81.10 30.99 2 0 13.50 -999 ? CL CL A 207 >SER~A 139 81.19 80.13 29.82 79.68 81.31 31.27 80.44 80.72 30.54 2 0 14.85 -999 ? CL CL A 207 >CYH~A 140 80.33 82.94 27.39 79.70 85.49 28.36 80.02 84.21 27.87 2 0 10.82 -999 ? CL CL A 207 >PHE~A 141 85.01 83.27 25.66 85.86 85.94 25.89 85.43 84.60 25.77 3 0 7.60 -999 ? CL CL A 207 >ASP~A 143 78.02 78.97 26.08 77.69 78.36 28.05 77.85 78.67 27.07 2 0 17.01 -999 ? CL CL A 207 >ASN~A 144 79.01 81.43 22.08 77.36 82.19 23.17 78.18 81.81 22.63 2 0 13.87 -999 ? CL CL A 207 >GLY.A 145 81.70 77.74 20.37 82.04 78.19 20.89 81.87 77.97 20.63 1 0 15.54 -999 ? CL CL A 207 >ALA.A 146 85.13 79.05 21.50 85.38 80.06 22.59 85.25 79.55 22.04 2 0 11.93 -999 ? CL CL A 207 >LEU.A 147 88.44 75.95 20.00 87.42 75.09 18.30 87.93 75.52 19.15 3 0 16.93 -999 ? CL CL A 207 >THR^A 148 90.80 77.76 23.23 92.39 77.12 21.88 91.59 77.44 22.55 2 0 15.59 -999 ? CL CL A 207 >LEU^A 149 90.33 80.98 26.50 90.05 82.75 27.78 90.19 81.87 27.14 3 0 10.72 -999 ? CL CL A 207 >ARG^A 150 97.12 79.54 24.63 97.18 76.76 23.21 97.15 78.15 23.92 2 0 17.90 -999 ? CL CL A 207 >PHE^A 151 94.35 86.30 30.61 94.48 88.36 32.47 94.42 87.33 31.54 3 0 11.19 -999 ? CL CL A 207 >GLY^A 152 98.54 86.98 30.01 98.14 87.52 29.53 98.34 87.25 29.77 1 0 13.52 -999 ? CL CL A 207 >ASN^A 153 101.28 90.63 31.03 99.70 90.97 32.37 100.49 90.80 31.70 2 0 14.89 -999 ? CL CL A 207 >LEU.A 154 102.95 92.28 26.00 102.03 92.19 23.98 102.49 92.23 24.99 3 0 15.13 -999 ? CL CL A 207 >LEU.A 155 107.47 89.44 28.64 107.33 88.18 30.35 107.40 88.81 29.49 3 0 20.95 -999 ? CL CL A 207 >THR.A 156 108.42 92.63 25.66 109.28 90.87 24.72 108.85 91.75 25.19 2 0 21.91 -999 ? CL CL A 207 >GLY.A 157 107.93 95.42 23.15 107.93 95.66 23.90 107.93 95.54 23.53 1 0 20.88 -999 ? CL CL A 207 >SER.A 158 106.42 98.88 22.96 107.58 99.81 20.96 107.00 99.35 21.96 2 0 21.95 -999 ? CL CL A 207 >ASN.A 159 101.97 97.04 23.81 101.15 98.50 22.47 101.56 97.77 23.14 2 0 15.41 -999 ? CL CL A 207 >VAL.A 160 105.07 95.79 27.39 106.74 96.31 28.66 105.91 96.05 28.02 3 0 19.43 -999 ? CL CL A 207 >GLY.A 161 102.72 95.27 30.33 102.45 95.11 29.58 102.59 95.19 29.96 1 0 16.95 -999 ? CL CL A 207 >ASN.A 162 99.28 95.62 26.83 99.28 97.70 26.48 99.28 96.66 26.65 2 0 13.52 -999 ? CL CL A 207 >TYR^A 163 96.23 92.63 31.30 96.78 93.18 33.97 96.50 92.91 32.64 3 0 12.59 -999 ? CL CL A 207 >LEU^A 164 98.03 89.74 25.35 98.51 89.54 23.26 98.27 89.64 24.31 3 0 11.07 -999 ? CL CL A 207 >LEU^A 165 92.46 88.09 25.74 90.88 86.80 26.58 91.67 87.44 26.16 3 0 6.42 -999 ? CL CL A 207 >GLY^A 166 93.86 85.03 22.54 93.39 84.85 23.22 93.62 84.94 22.88 1 0 9.43 -999 ? CL CL A 207 >VAL^A 167 90.73 83.01 21.72 88.86 83.46 22.75 89.80 83.24 22.24 3 0 9.00 -999 ? CL CL A 207 >GLY^A 168 90.34 80.29 19.10 89.69 80.51 19.59 90.02 80.40 19.34 1 0 12.79 -999 ? CL CL A 207 >TYR^A 169 86.27 82.10 18.01 85.99 83.91 20.10 86.13 83.01 19.06 3 0 10.11 -999 ? CL CL A 207 >PRO.A 170 83.92 77.06 15.99 85.87 77.79 15.13 84.89 77.42 15.56 3 0 16.81 -999 ? CL CL A 207 >SER~A 171 83.88 80.04 12.61 81.61 79.78 13.38 82.74 79.91 13.00 2 0 17.02 -999 ? CL CL A 207 >MET?A 172 82.95 83.69 12.48 84.81 86.26 9.61 83.88 84.98 11.05 2 0 11.88 -999 ? CL CL B 207 >GLU~A 173 77.07 81.75 13.59 75.85 80.16 12.89 76.46 80.95 13.24 2 0 19.78 -999 ? CL CL A 207 >ALA~A 174 80.91 81.59 16.85 81.90 80.43 17.02 81.41 81.01 16.94 2 0 14.38 -999 ? CL CL A 207 >ILE~A 175 83.70 85.65 16.33 85.04 86.20 15.98 84.37 85.92 16.16 3 0 10.23 -999 ? CL CL A 207 >GLU~A 176 77.24 87.51 15.62 76.24 88.00 13.85 76.74 87.76 14.73 2 0 15.55 -999 ? CL CL A 207 >LYS~A 177 77.48 84.73 19.18 73.11 84.88 16.17 75.30 84.80 17.67 2 0 17.68 -999 ? CL CL A 207 >THR~A 178 80.31 84.97 21.75 82.29 84.15 22.15 81.30 84.56 21.95 2 0 9.33 -999 ? CL CL A 207 >TYR~A 179 82.70 89.59 20.74 85.46 89.56 21.28 84.08 89.57 21.01 3 0 -4.97 -999 ? CL CL A 207s >ASP~A 180 75.54 88.23 20.77 75.39 88.81 18.73 75.46 88.52 19.75 2 0 13.44 -999 ? CL CL A 207 >GLU~A 181 76.45 85.57 26.76 76.26 83.51 27.22 76.35 84.54 26.99 2 0 14.21 -999 ? CL CL A 207 >LEU~A 182 81.31 88.68 25.58 83.32 88.56 26.46 82.31 88.62 26.02 3 0 6.29 -999 ? CL CL A 207 >LEU~A 183 78.96 93.19 24.42 80.71 93.76 23.18 79.83 93.48 23.80 3 0 7.77 -999 ? CL CL A 207 >ALA~A 184 75.88 92.01 27.84 74.56 91.71 27.15 75.22 91.86 27.50 2 0 13.22 -999 ? CL CL A 207 >HIS~A 185 78.82 88.19 31.53 79.24 86.93 33.15 79.03 87.56 32.34 3 0 12.52 -999 ? CL CL A 207 >SER~A 186 78.11 91.90 34.18 77.29 90.19 35.74 77.70 91.04 34.96 2 0 15.56 -999 ? CL CL A 207 >SER~A 187 81.76 90.79 34.58 81.87 88.74 35.89 81.82 89.76 35.24 2 0 13.44 -999 ? CL CL A 207 >TYR~A 188 82.79 92.55 28.64 84.36 93.62 26.58 83.57 93.08 27.61 3 0 -5.42 -999 ? CL CL A 207s >LYS~A 189 80.94 95.63 32.01 75.02 95.05 31.26 77.98 95.34 31.64 2 0 14.72 -999 ? CL CL A 207 >GLU~A 190 83.49 94.90 37.66 83.77 93.30 39.04 83.63 94.10 38.35 2 0 15.54 -999 ? CL CL A 207 >LEU~A 191 86.42 93.65 32.42 88.36 92.82 31.89 87.39 93.24 32.15 3 0 8.28 -999 ? CL CL A 207 >MET?A 192 85.54 97.94 31.30 86.04 96.89 28.13 85.79 97.41 29.72 2 0 6.74 -999 ? CL CL A 207 >THR~A 193 85.70 100.09 34.45 84.39 99.22 35.91 85.04 99.66 35.18 2 0 14.38 -999 ? CL CL A 207 >PHE~A 194 89.46 97.10 36.26 89.06 94.32 36.23 89.26 95.71 36.25 3 0 13.00 -999 ? CL CL A 207 >ALA~A 195 90.74 98.06 31.61 90.73 96.54 31.49 90.74 97.30 31.55 2 0 9.50 -999 ? CL CL A 207 >LYS^A 196 90.90 99.82 28.25 93.67 104.45 25.93 92.29 102.13 27.09 2 0 14.31 -999 ? CL CL A 207 >VAL^A 197 90.98 97.69 25.14 89.70 96.16 24.20 90.34 96.92 24.67 3 0 6.01 -999 ? CL CL A 207 >ASN^A 198 94.78 99.91 23.26 96.26 98.43 23.74 95.52 99.17 23.50 2 0 11.12 -999 ? CL CL A 207 >MET?A 199 93.46 96.62 20.04 95.84 93.71 18.80 94.65 95.17 19.42 2 0 10.12 -999 ? CL CL A 207 >ARG^A 200 87.75 92.48 19.53 86.63 94.79 21.26 87.19 93.64 20.39 2 0 -4.19 -999 ? CL CL A 207s >ASN^A 201 93.45 91.93 15.11 94.01 93.95 14.73 93.73 92.94 14.92 2 0 11.62 -999 ? CL CL A 207 >ILE^A 202 89.67 88.42 12.97 88.22 88.14 12.85 88.94 88.28 12.91 3 0 11.73 -999 ? CL CL A 207 >ILE^A 203 94.76 85.48 13.26 96.16 85.39 13.71 95.46 85.44 13.48 3 0 14.68 -999 ? CL CL A 207 >LYS^A 204 92.63 83.54 9.75 89.81 82.65 4.14 91.22 83.09 6.94 2 0 11.28 -999 ? CL CL B 207 >ILE^A 205 94.12 79.10 11.13 95.24 79.03 12.08 94.68 79.06 11.61 3 0 18.75 -999 ? CL CL B 207 >LEU~A 206 97.38 80.13 6.34 97.04 82.02 5.29 97.21 81.08 5.81 3 0 15.65 -999 ? CL CL B 207 >SER~B 2 76.79 114.68 -10.13 75.28 115.44 -11.93 76.04 115.06 -11.03 2 0 28.95 -999 ? CL CL B 207 >ASN~B 3 76.60 110.01 -11.55 75.33 110.56 -13.19 75.96 110.29 -12.37 2 0 26.08 -999 ? CL CL B 207 >ILE~B 4 80.26 111.82 -7.63 80.83 111.88 -8.31 80.55 111.85 -7.97 3 0 22.13 -999 ? CL CL B 207 >ASN^B 5 76.68 109.94 -3.49 74.97 109.80 -4.75 75.82 109.87 -4.12 2 0 22.25 -999 ? CL CL B 207 >TYR^B 6 79.96 113.89 -1.71 80.57 115.09 -4.15 80.26 114.49 -2.93 3 0 23.08 -999 ? CL CL B 207 >VAL^B 7 80.11 109.93 2.64 80.02 107.79 2.62 80.07 108.86 2.63 3 0 17.81 -999 ? CL CL B 207 >ILE^B 8 80.28 112.67 6.54 80.35 113.37 5.99 80.32 113.02 6.27 3 0 21.97 -999 ? CL CL B 207 >LEU^B 9 83.87 108.30 7.82 83.75 107.16 5.98 83.81 107.73 6.90 3 0 16.22 -999 ? CL CL B 207 >THR^B 10 83.33 110.48 11.96 82.44 112.31 12.60 82.88 111.40 12.28 2 0 23.01 -999 ? CL CL B 207 >VAL^B 11 85.12 108.63 14.75 86.43 106.98 14.23 85.77 107.81 14.49 3 0 18.76 -999 ? CL CL A 207 >ALA^B 12 84.98 109.33 18.49 83.71 109.99 18.91 84.34 109.66 18.70 2 0 19.31 -999 ? CL CL A 207 >SER^B 13 86.39 107.78 21.65 87.94 109.39 22.47 87.17 108.58 22.06 2 0 17.73 -999 ? CL CL A 207 >VAL^B 14 83.63 107.30 24.19 81.69 107.33 23.25 82.66 107.32 23.72 3 0 16.29 -999 ? CL CL A 207 >ASP~B 15 83.15 107.02 29.06 84.65 108.43 29.60 83.90 107.73 29.33 2 0 17.83 -999 ? CL CL A 207 >PHE~B 16 82.57 100.21 28.18 81.57 97.77 27.31 82.07 98.99 27.74 3 0 9.75 -999 ? CL CL A 207 >SER~B 17 79.35 103.58 30.24 80.50 105.31 31.56 79.93 104.45 30.90 2 0 16.99 -999 ? CL CL A 207 >TYR~B 18 78.09 108.79 27.29 76.64 111.08 26.66 77.37 109.93 26.98 3 0 20.99 -999 ? CL CL A 207 >ARG~B 19 79.93 100.83 23.60 81.33 98.62 21.96 80.63 99.72 22.78 2 0 9.40 -999 ? CL CL A 207 >GLU~B 20 74.58 100.52 25.73 73.92 98.95 27.03 74.25 99.74 26.38 2 0 15.58 -999 ? CL CL A 207 >THR~B 21 73.22 106.41 25.95 73.67 107.59 27.71 73.44 107.00 26.83 2 0 21.30 -999 ? CL CL A 207 >MET?B 22 75.05 107.75 22.95 78.75 109.27 21.67 76.90 108.51 22.31 2 0 19.69 -999 ? CL CL A 207 >ALA~B 23 73.51 105.36 20.41 73.67 103.85 20.35 73.59 104.61 20.38 2 0 18.68 -999 ? CL CL A 207 >ARG~B 24 68.68 104.17 24.51 70.57 103.16 26.74 69.62 103.66 25.62 2 0 20.52 -999 ? CL CL A 207 >LEU~B 25 71.96 110.83 22.19 71.79 111.81 24.17 71.87 111.32 23.18 3 0 25.01 -999 ? CL CL A 207 >MET?B 26 72.35 109.53 17.95 75.26 111.08 17.56 73.80 110.31 17.75 2 0 23.74 -999 ? CL CL A 207 >SER~B 27 69.27 107.92 16.42 68.09 106.85 18.16 68.68 107.39 17.29 2 0 25.22 -999 ? CL CL A 207 >SER~B 28 67.39 111.08 17.44 65.98 111.76 19.33 66.68 111.42 18.38 2 0 29.70 -999 ? CL CL A 207 >TYR~B 29 72.43 114.13 15.58 74.03 115.69 13.96 73.23 114.91 14.77 3 0 28.70 -999 ? CL CL A 207 >SER~B 30 69.91 110.88 12.74 71.39 108.94 12.97 70.65 109.91 12.85 2 0 25.97 -999 ? CL CL A 207 >ASP~B 32 67.58 115.89 13.54 67.34 117.98 13.53 67.46 116.93 13.53 2 0 34.66 -999 ? CL CL A 207 >LEU~B 33 70.94 114.12 9.70 72.76 114.82 10.63 71.85 114.47 10.16 3 0 28.53 -999 ? CL CL B 207 >ILE~B 34 66.86 111.15 8.04 66.66 109.74 7.96 66.76 110.45 8.00 3 0 28.74 -999 ? CL CL B 207 >ASP~B 35 63.47 114.96 9.00 62.71 113.07 9.68 63.09 114.02 9.34 2 0 33.82 -999 ? CL CL B 207 >ASN~B 36 66.05 119.04 9.01 64.41 118.57 10.27 65.23 118.80 9.64 2 0 36.25 -999 ? CL CL B 207 >ALA~B 37 69.53 118.01 6.10 70.74 117.61 6.93 70.13 117.81 6.52 2 0 30.77 -999 ? CL CL B 207 >GLY~B 38 68.45 115.65 3.31 68.97 115.46 3.90 68.71 115.55 3.61 1 0 30.25 -999 ? CL CL B 207 >ALA~B 39 70.73 112.84 4.55 71.18 112.59 6.00 70.96 112.71 5.28 2 0 26.53 -999 ? CL CL B 207 >LYS~B 40 70.14 109.63 2.55 68.62 112.20 -2.11 69.38 110.92 0.22 2 0 27.79 -999 ? CL CL B 207 >GLY~B 41 70.70 107.44 5.60 71.11 108.15 5.59 70.90 107.80 5.59 1 0 23.38 -999 ? CL CL B 207 >THR^B 42 73.11 107.17 8.51 72.11 108.49 9.85 72.61 107.83 9.18 2 0 24.17 -999 ? CL CL B 207 >ARG^B 43 74.23 102.03 8.14 72.19 101.92 5.83 73.21 101.98 6.99 2 0 19.31 -999 ? CL CL B 207 >PHE^B 44 76.06 105.60 16.02 77.42 106.36 18.36 76.74 105.98 17.19 3 0 19.06 -999 ? CL CL A 207 >GLY^B 45 78.29 101.57 15.32 78.70 102.26 15.47 78.50 101.91 15.39 1 0 15.97 -999 ? CL CL A 207 >SER^B 46 81.23 100.38 17.31 82.04 98.74 18.93 81.63 99.56 18.12 2 0 10.19 -999 ? CL CL A 207 >ILE^B 47 85.69 100.70 15.38 86.50 101.53 14.78 86.10 101.12 15.08 3 0 13.03 -999 ? CL CL A 207 >GLY~B 48 85.31 96.12 16.52 85.88 96.52 16.13 85.60 96.32 16.33 1 0 8.93 -999 ? CL CL A 207 >THR~B 49 88.82 95.69 15.22 87.97 94.58 13.55 88.40 95.13 14.39 2 0 10.86 -999 ? CL CL A 207 >GLY~B 50 92.24 97.34 14.79 91.85 97.32 15.52 92.04 97.33 15.16 1 0 11.83 -999 ? CL CL A 207 >ASP~B 51 95.07 100.87 16.48 96.86 99.76 16.66 95.97 100.31 16.57 2 0 14.43 -999 ? CL CL A 207 >HIS~B 52 91.06 103.67 15.26 92.47 104.92 14.33 91.76 104.30 14.79 3 0 16.19 -999 ? CL CL A 207 >ALA~B 53 88.73 99.06 18.59 89.25 97.67 18.93 88.99 98.37 18.76 2 0 8.04 -999 ? CL CL A 207 >GLY~B 54 86.09 100.43 20.94 86.25 100.83 20.25 86.17 100.63 20.60 1 0 9.32 -999 ? CL CL A 207 >SER~B 55 85.81 103.79 19.22 88.05 104.68 18.78 86.93 104.23 19.00 2 0 13.98 -999 ? CL CL A 207 >LEU^B 56 81.21 105.22 18.76 80.46 104.18 20.53 80.84 104.70 19.64 3 0 15.17 -999 ? CL CL A 207 >ILE^B 57 82.47 104.61 13.20 82.72 104.01 11.99 82.59 104.31 12.59 3 0 17.02 -999 ? CL CL B 207 >PHE^B 58 77.28 109.46 12.88 74.75 110.46 12.18 76.02 109.96 12.53 3 0 23.85 -999 ? CL CL B 207 >ILE^B 59 78.66 106.12 8.16 79.35 105.11 7.46 79.00 105.61 7.81 3 0 17.05 -999 ? CL CL B 207 >GLN^B 60 76.57 111.66 8.77 77.10 113.68 9.25 76.84 112.67 9.01 2 0 24.78 -999 ? CL CL B 207 >PHE^B 61 75.21 107.15 3.26 76.41 104.81 4.28 75.81 105.98 3.77 3 0 18.30 -999 ? CL CL B 207 >TYR^B 62 75.04 114.35 2.98 74.43 114.73 5.67 74.73 114.54 4.33 3 0 25.60 -999 ? CL CL B 207 >ASP~B 63 72.64 113.33 -3.32 71.47 111.56 -3.12 72.05 112.44 -3.22 2 0 25.47 -999 ? CL CL B 207 >LEU~B 65 79.51 118.98 -0.62 81.39 117.83 -0.38 80.45 118.41 -0.50 3 0 26.38 -999 ? CL CL B 207 >THR~B 66 75.35 121.11 0.14 74.18 122.45 -1.06 74.76 121.78 -0.46 2 0 32.58 -999 ? CL CL B 207 >GLY~B 67 73.51 118.42 2.11 74.24 118.82 2.24 73.88 118.62 2.18 1 0 29.34 -999 ? CL CL B 207 >TYR~B 68 78.77 117.65 5.39 80.36 117.54 7.69 79.56 117.60 6.54 3 0 26.44 -999 ? CL CL B 207 >GLN~B 69 77.33 124.25 4.03 77.19 125.78 2.57 77.26 125.02 3.30 2 0 27.88 -999 ? CL CL D 208 >ALA~B 71 73.81 119.14 8.29 74.47 117.81 7.95 74.14 118.47 8.12 2 0 29.11 -999 ? CL CL B 207 >LEU~B 72 77.57 122.14 9.06 79.45 121.18 8.70 78.51 121.66 8.88 3 0 25.37 -999 ? CL CL D 208 >ILE~B 74 71.07 120.09 11.46 69.57 119.91 11.64 70.32 120.00 11.55 3 0 32.53 -999 ? CL CL D 208 >GLN~B 75 76.23 119.17 13.77 78.30 118.96 13.49 77.26 119.06 13.63 2 0 25.70 -999 ? CL CL D 208 >SER~B 76 74.67 124.26 15.74 73.98 125.43 13.73 74.33 124.85 14.74 2 0 26.98 -999 ? CL CL D 208 >SER~B 78 70.69 120.68 17.92 70.86 118.28 17.81 70.77 119.48 17.86 2 0 31.89 -999 ? CL CL A 207 >SER~B 79 70.14 120.04 21.67 68.39 121.38 22.66 69.27 120.71 22.16 2 0 33.66 -999 ? CL CL D 208 >VAL~B 80 70.99 116.35 21.41 70.07 114.49 20.74 70.53 115.42 21.07 3 0 29.23 -999 ? CL CL A 207 >PHE~B 81 75.98 117.97 17.95 78.65 118.00 17.09 77.31 117.98 17.52 3 0 26.74 -999 ? CL CL D 208 >LYS~B 82 75.04 119.87 22.47 76.19 123.93 25.58 75.62 121.90 24.03 2 0 26.33 -999 ? CL CL D 208 >GLU~B 83 73.06 115.78 26.73 71.38 114.62 27.16 72.22 115.20 26.94 2 0 28.12 -999 ? CL CL A 207 >ILE~B 84 76.82 114.07 22.46 76.70 112.86 21.66 76.76 113.46 22.06 3 0 24.27 -999 ? CL CL A 207 >MET?B 85 79.58 117.46 23.53 80.98 116.91 20.42 80.28 117.18 21.97 2 0 24.59 -999 ? CL CL D 208 >ASP~B 86 77.55 119.67 27.38 77.48 121.62 26.54 77.51 120.65 26.96 2 0 26.39 -999 ? CL CL D 208 >SER~B 87 78.89 115.44 28.52 79.41 113.49 27.16 79.15 114.46 27.84 2 0 23.39 -999 ? CL CL A 207 >GLY~B 88 82.67 115.28 28.36 82.14 114.70 28.17 82.40 114.99 28.27 1 0 24.41 -999 ? CL CL A 207 >LYS~B 89 82.27 111.55 27.66 79.18 109.45 32.46 80.73 110.50 30.06 2 0 21.28 -999 ? CL CL A 207 >ALA^B 90 82.67 111.68 23.87 81.32 111.73 23.08 82.00 111.70 23.48 2 0 20.92 -999 ? CL CL A 207 >ASN^B 91 87.03 112.78 22.73 88.66 113.62 21.64 87.84 113.20 22.18 2 0 22.06 -999 ? CL CL A 207 >ILE^B 92 84.74 114.26 17.39 83.67 114.61 16.56 84.21 114.43 16.98 3 0 23.87 -999 ? CL CL D 208 >TYR^B 93 89.96 110.34 17.63 89.70 107.54 17.30 89.83 108.94 17.46 3 0 18.58 -999 ? CL CL A 207 >LEU^B 94 89.29 110.57 13.06 90.69 109.77 11.66 89.99 110.17 12.36 3 0 20.18 -999 ? CL CL B 207 >ARG^B 95 83.33 115.51 10.02 83.16 116.97 12.73 83.25 116.24 11.38 2 0 23.25 -999 ? CL CL D 208 >ASN^B 96 88.08 111.65 6.56 89.97 112.40 7.23 89.03 112.03 6.89 2 0 19.93 -999 ? CL CL B 207 >ILE^B 97 84.51 114.06 2.99 83.55 115.16 2.80 84.03 114.61 2.90 3 0 21.78 -999 ? CL CL B 207 >SER^B 98 84.80 110.09 0.80 85.28 107.79 0.10 85.04 108.94 0.45 2 0 14.81 -999 ? CL CL B 207 >THR^B 99 83.33 110.04 -2.67 84.85 110.28 -4.16 84.09 110.16 -3.42 2 0 18.07 -999 ? CL CL B 207 >SER^B 100 80.79 107.30 -3.40 78.88 106.02 -2.62 79.84 106.66 -3.01 2 0 16.48 -999 ? CL CL B 207 >LEU~B 101 82.30 105.89 -7.67 83.91 107.31 -7.84 83.11 106.60 -7.76 3 0 16.86 -999 ? CL CL B 207 >PRO~B 102 78.32 106.25 -10.40 78.89 104.71 -8.88 78.61 105.48 -9.64 3 0 19.12 -999 ? CL CL B 207 >THR~B 103 78.92 100.43 -9.00 79.43 100.18 -6.93 79.17 100.31 -7.97 2 0 14.11 -999 ? CL CL B 207 >LYS~B 104 77.13 97.54 -10.69 80.01 96.97 -16.36 78.57 97.26 -13.52 2 0 19.89 -999 ? CL CL B 207 >PHE~B 105 76.63 95.53 -5.02 76.14 94.02 -2.75 76.39 94.77 -3.89 3 0 13.52 -999 ? CL CL B 207 >GLU~B 106 70.33 93.62 -6.12 69.15 92.75 -7.64 69.74 93.18 -6.88 2 0 21.60 -999 ? CL CL B 207 >GLN~B 107 72.72 99.64 -3.85 74.61 99.33 -2.94 73.67 99.49 -3.39 2 0 15.96 -999 ? CL CL B 207 >SER~B 108 69.46 95.89 -0.49 68.79 93.76 0.48 69.13 94.83 0.00 2 0 20.11 -999 ? CL CL B 207 >TYR~B 109 65.27 98.75 0.10 64.55 100.01 -2.35 64.91 99.38 -1.12 3 0 24.80 -999 ? CL CL B 207 >GLU~B 110 68.16 93.53 5.92 68.48 91.48 5.56 68.32 92.50 5.74 2 0 20.99 -999 ? CL CL B 207 >PRO~B 112 74.10 97.58 7.24 72.51 96.13 7.87 73.30 96.85 7.56 3 0 17.21 -999 ? CL CL B 207 >TYR^B 114 78.50 92.78 11.82 77.88 91.67 14.30 78.19 92.22 13.06 3 0 14.32 -999 ? CL CL A 207 >ILE^B 115 79.77 98.36 7.98 79.27 99.58 7.35 79.52 98.97 7.67 3 0 12.70 -999 ? CL CL B 207 >VAL^B 116 83.45 96.01 6.70 84.26 94.00 6.30 83.86 95.00 6.50 3 0 7.55 -999 ? CL CL B 207 >LEU^B 117 85.70 100.33 6.44 84.40 101.97 6.71 85.05 101.15 6.57 3 0 10.19 -999 ? CL CL B 207 >THR^B 118 88.60 98.34 3.61 88.77 96.46 2.59 88.68 97.40 3.10 2 0 -3.36 -999 ? CL CL B 207s >ARG^B 119 92.31 104.26 4.28 93.79 104.39 7.00 93.05 104.33 5.64 2 0 13.35 -999 ? CL CL B 207 >ALA^B 120 93.76 100.66 -0.09 93.33 99.62 -1.13 93.54 100.14 -0.61 2 0 7.91 -999 ? CL CL B 207 >GLU^B 121 98.76 103.82 -1.65 100.68 103.98 -0.77 99.72 103.90 -1.21 2 0 15.91 -999 ? CL CL B 207 >ALA~B 122 96.67 102.72 -5.58 95.51 101.85 -6.05 96.09 102.29 -5.82 2 0 12.85 -999 ? CL CL B 207 >ALA~B 123 97.49 105.11 -8.43 98.27 104.76 -9.66 97.88 104.93 -9.05 2 0 18.20 -999 ? CL CL B 207 >MET?B 124 94.70 107.50 -9.46 92.82 109.12 -6.88 93.76 108.31 -8.17 2 0 18.00 -999 ? CL CL B 207 >SER~B 125 95.46 106.28 -13.03 97.61 105.17 -13.42 96.54 105.73 -13.23 2 0 20.59 -999 ? CL CL B 207 >ASP~B 126 95.02 101.86 -10.97 97.06 101.53 -11.40 96.04 101.69 -11.19 2 0 16.97 -999 ? CL CL B 207 >ASP~B 128 89.19 102.75 -15.23 88.98 104.84 -15.52 89.09 103.80 -15.38 2 0 20.13 -999 ? CL CL B 207 >LYS~B 129 90.89 99.02 -13.32 96.94 97.89 -13.87 93.92 98.45 -13.60 2 0 17.56 -999 ? CL CL B 207 >PHE~B 130 90.58 100.17 -7.39 91.38 99.54 -4.79 90.98 99.85 -6.09 3 0 9.84 -999 ? CL CL B 207 >LEU~B 131 85.69 101.20 -11.27 83.82 102.17 -10.87 84.76 101.69 -11.07 3 0 15.26 -999 ? CL CL B 207 >ASN~B 132 87.14 96.76 -14.13 86.67 97.89 -15.85 86.91 97.32 -14.99 2 0 17.64 -999 ? CL CL B 207 >CYH~B 133 87.48 94.52 -10.34 90.23 94.36 -10.23 88.85 94.44 -10.28 2 0 11.43 -999 ? CL CL B 207 >ILE~B 134 84.63 97.23 -7.42 84.99 97.00 -6.21 84.81 97.11 -6.82 3 0 9.62 -999 ? CL CL B 207 >ASN~B 135 81.87 96.04 -11.75 81.82 98.13 -11.27 81.85 97.08 -11.51 2 0 14.98 -999 ? CL CL B 207 >ASP~B 136 85.10 91.57 -12.13 85.30 91.75 -14.25 85.20 91.66 -13.19 2 0 15.85 -999 ? CL CL B 207 >THR~B 137 83.40 90.51 -8.02 85.32 90.93 -7.16 84.36 90.72 -7.59 2 0 9.34 -999 ? CL CL B 207 >ALA~B 138 79.96 92.04 -7.30 79.13 92.84 -8.30 79.54 92.44 -7.80 2 0 13.56 -999 ? CL CL B 207 >SER~B 139 78.43 88.56 -7.30 79.12 88.14 -9.57 78.78 88.35 -8.43 2 0 15.41 -999 ? CL CL B 207 >CYH~B 140 80.97 87.25 -4.69 83.64 86.93 -5.50 82.30 87.09 -5.10 2 0 10.67 -999 ? CL CL B 207 >PHE~B 141 81.01 91.61 -2.24 83.66 92.39 -1.91 82.34 92.00 -2.07 3 0 7.42 -999 ? CL CL B 207 >ASP~B 143 76.65 84.81 -4.49 76.22 85.06 -6.54 76.44 84.93 -5.51 2 0 17.01 -999 ? CL CL B 207 >ASN~B 144 78.71 85.11 0.08 79.53 83.63 -1.18 79.12 84.37 -0.55 2 0 13.76 -999 ? CL CL B 207 >GLY~B 145 74.82 87.61 1.72 75.34 88.02 1.31 75.08 87.81 1.51 1 0 15.26 -999 ? CL CL B 207 >ALA~B 146 76.25 91.12 1.28 77.43 91.51 0.38 76.84 91.31 0.83 2 0 11.65 -999 ? CL CL B 207 >LEU~B 147 73.09 94.24 2.96 71.83 93.16 4.37 72.46 93.70 3.67 3 0 16.64 -999 ? CL CL B 207 >THR^B 148 75.21 97.01 0.39 74.28 98.35 1.81 74.75 97.68 1.10 2 0 15.42 -999 ? CL CL B 207 >LEU^B 149 78.86 97.05 -2.42 80.68 97.10 -3.59 79.77 97.08 -3.01 3 0 10.63 -999 ? CL CL B 207 >ARG^B 150 77.28 103.97 -0.06 74.50 103.39 1.15 75.89 103.68 0.54 2 0 17.49 -999 ? CL CL B 207 >PHE^B 151 84.72 101.61 -4.96 87.18 101.83 -6.27 85.95 101.72 -5.62 3 0 11.04 -999 ? CL CL B 207 >GLY^B 152 85.31 105.58 -3.66 85.75 105.11 -3.18 85.53 105.35 -3.42 1 0 13.50 -999 ? CL CL B 207 >ASN^B 153 89.08 108.40 -3.71 89.74 107.00 -5.17 89.41 107.70 -4.44 2 0 14.94 -999 ? CL CL B 207 >LEU~B 154 89.89 109.21 1.71 89.49 108.09 3.55 89.69 108.65 2.63 3 0 15.29 -999 ? CL CL B 207 >LEU~B 155 87.52 114.11 -0.69 86.58 114.42 -2.62 87.05 114.27 -1.65 3 0 21.07 -999 ? CL CL B 207 >THR~B 156 90.20 114.59 2.95 88.40 115.45 3.80 89.30 115.02 3.38 2 0 22.16 -999 ? CL CL B 207 >GLY~B 157 92.65 113.69 5.74 92.99 113.75 4.99 92.82 113.72 5.37 1 0 21.09 -999 ? CL CL B 207 >SER~B 158 95.99 112.01 6.14 96.49 112.90 8.27 96.24 112.46 7.21 2 0 21.50 -999 ? CL CL D 207 >ASN~B 159 94.22 107.93 4.36 95.46 106.99 5.78 94.84 107.46 5.07 2 0 15.76 -999 ? CL CL B 207 >VAL~B 160 93.64 111.50 1.08 94.26 113.46 0.27 93.95 112.48 0.68 3 0 19.69 -999 ? CL CL B 207 >GLY~B 161 93.53 109.61 -2.21 93.28 109.23 -1.53 93.40 109.42 -1.87 1 0 17.12 -999 ? CL CL B 207 >ASN~B 162 93.32 105.69 0.78 95.35 105.52 1.40 94.33 105.60 1.09 2 0 13.68 -999 ? CL CL B 207 >TYR^B 163 91.13 103.50 -4.54 92.03 104.45 -6.98 91.58 103.98 -5.76 3 0 12.84 -999 ? CL CL B 207 >LEU^B 164 87.34 104.17 1.23 87.03 104.21 3.32 87.19 104.19 2.27 3 0 10.93 -999 ? CL CL B 207 >LEU^B 165 85.75 98.83 -0.36 84.66 97.24 -1.47 85.21 98.03 -0.92 3 0 6.20 -999 ? CL CL B 207 >GLY^B 166 82.30 99.82 2.55 82.21 99.46 1.78 82.26 99.64 2.16 1 0 9.28 -999 ? CL CL B 207 >VAL^B 167 80.21 96.63 2.54 80.83 94.97 1.24 80.52 95.80 1.89 3 0 8.72 -999 ? CL CL B 207 >GLY^B 168 77.16 95.86 4.69 77.42 95.29 4.12 77.29 95.57 4.40 1 0 12.50 -999 ? CL CL B 207 >TYR^B 169 78.73 91.68 5.30 80.82 91.75 3.44 79.77 91.72 4.37 3 0 9.85 -999 ? CL CL B 207 >PRO~B 170 73.31 89.21 6.20 74.05 90.90 7.48 73.68 90.06 6.84 3 0 16.62 -999 ? CL CL B 207 >SER~B 171 76.04 88.46 9.91 75.68 86.49 8.62 75.86 87.47 9.27 2 0 16.73 -999 ? CL CL B 207 >MET?B 172 79.65 87.48 10.33 81.44 89.08 13.91 80.55 88.28 12.12 2 0 12.02 -999 ? CL CL A 207 >GLU~B 173 77.79 81.97 8.07 76.21 80.64 8.50 77.00 81.30 8.28 2 0 19.50 -999 ? CL CL B 207 >ALA~B 174 78.14 86.18 5.51 77.01 87.19 5.37 77.58 86.69 5.44 2 0 14.10 -999 ? CL CL B 207 >ILE~B 175 81.97 88.72 7.14 82.37 89.93 7.81 82.17 89.32 7.47 3 0 10.15 -999 ? CL CL B 207 >GLU~B 176 83.97 82.28 7.06 83.73 80.87 8.60 83.85 81.58 7.83 2 0 15.54 -999 ? CL CL B 207 >LYS~B 177 81.55 83.10 3.16 80.78 78.34 5.65 81.17 80.72 4.40 2 0 17.75 -999 ? CL CL B 207 >THR~B 178 82.16 86.27 1.12 81.30 88.26 1.03 81.73 87.26 1.07 2 0 9.21 -999 ? CL CL B 207 >TYR~B 179 86.49 88.33 3.24 86.44 91.12 3.14 86.46 89.72 3.19 3 0 -4.93 -999 ? CL CL B 207s >ASP~B 180 85.25 81.39 1.63 85.51 80.79 3.65 85.38 81.09 2.64 2 0 13.36 -999 ? CL CL B 207 >GLU~B 181 83.38 83.16 -4.32 81.35 82.79 -4.85 82.36 82.98 -4.59 2 0 14.35 -999 ? CL CL B 207 >LEU~B 182 86.39 87.74 -1.81 86.11 89.78 -2.32 86.25 88.76 -2.06 3 0 6.25 -999 ? CL CL B 207 >LEU~B 183 90.72 85.17 -0.63 90.95 86.54 1.09 90.84 85.86 0.23 3 0 7.90 -999 ? CL CL B 207 >ALA~B 184 90.05 82.75 -4.63 89.66 81.35 -4.22 89.86 82.05 -4.43 2 0 13.25 -999 ? CL CL B 207 >HIS~B 185 86.66 86.23 -8.19 85.55 86.88 -9.85 86.10 86.55 -9.02 3 0 12.56 -999 ? CL CL B 207 >SER~B 186 90.81 86.01 -10.38 89.42 84.85 -11.97 90.11 85.43 -11.18 2 0 15.66 -999 ? CL CL B 207 >SER~B 187 89.74 89.69 -10.32 87.94 90.09 -11.91 88.84 89.89 -11.12 2 0 13.47 -999 ? CL CL B 207 >TYR~B 188 90.79 89.41 -4.12 91.91 90.20 -1.69 91.35 89.81 -2.91 3 0 5.95 -999 ? CL CL B 207 >LYS~B 189 94.19 88.39 -7.32 93.19 82.59 -8.00 93.69 85.49 -7.66 2 0 14.81 -999 ? CL CL B 207 >GLU~B 190 94.19 91.78 -12.54 92.87 93.00 -13.66 93.53 92.39 -13.10 2 0 15.29 -999 ? CL CL B 207 >LEU~B 191 92.35 93.77 -6.84 91.58 95.46 -5.71 91.96 94.61 -6.27 3 0 8.06 -999 ? CL CL B 207 >MET?B 192 96.41 92.70 -5.57 95.21 92.18 -2.37 95.81 92.44 -3.97 2 0 7.32 -999 ? CL CL B 207 >THR~B 193 98.90 93.45 -8.37 98.20 92.58 -10.23 98.55 93.02 -9.30 2 0 14.68 -999 ? CL CL B 207 >PHE~B 194 96.08 97.39 -9.81 93.34 96.87 -10.03 94.71 97.13 -9.92 3 0 12.98 -999 ? CL CL B 207 >ALA~B 195 96.44 98.00 -5.02 94.92 97.94 -5.09 95.68 97.97 -5.06 2 0 9.73 -999 ? CL CL B 207 >LYS^B 196 97.77 97.61 -1.51 102.42 99.51 2.11 100.09 98.56 0.30 2 0 14.85 -999 ? CL CL B 207 >VAL^B 197 95.22 97.15 1.22 93.60 95.80 1.68 94.41 96.48 1.45 3 0 6.30 -999 ? CL CL B 207 >ASN^B 198 97.10 100.50 3.94 95.70 102.04 3.60 96.40 101.27 3.77 2 0 11.24 -999 ? CL CL B 207 >MET?B 199 93.40 98.76 6.50 90.43 101.20 7.78 91.91 99.98 7.14 2 0 10.34 -999 ? CL CL B 207 >ARG^B 200 89.33 93.01 5.40 91.79 92.24 3.67 90.56 92.63 4.53 2 0 -4.06 -999 ? CL CL B 207s >ASN^B 201 88.18 97.99 10.64 90.17 98.21 11.28 89.18 98.10 10.96 2 0 11.32 -999 ? CL CL B 207 >ILE^B 202 84.36 94.01 11.69 84.09 92.60 11.66 84.23 93.30 11.68 3 0 11.57 -999 ? CL CL B 207 >ILE^B 203 81.45 99.09 11.87 81.39 100.33 11.49 81.42 99.71 11.68 3 0 14.39 -999 ? CL CL B 207 >LYS^B 204 78.99 96.52 14.64 77.07 92.44 19.10 78.03 94.48 16.87 2 0 11.46 -999 ? CL CL A 207 >ILE^B 205 74.78 98.52 12.90 75.12 99.64 12.17 74.95 99.08 12.54 3 0 18.46 -999 ? CL CL A 207 >LEU~B 206 75.25 100.78 18.27 76.96 100.38 19.49 76.10 100.58 18.88 3 0 15.24 -999 ? CL CL A 207 >ILE~C 4 135.52 118.71 15.15 135.52 118.84 14.26 135.52 118.78 14.70 3 0 16.53 -999 ? CL CL E 207 >ASN^C 5 133.09 123.17 18.13 134.69 124.52 18.54 133.89 123.84 18.33 2 0 21.61 -999 ? CL CL C 207 >TYR^C 6 131.40 118.34 20.39 133.10 116.38 19.40 132.25 117.36 19.89 3 0 14.56 -999 ? CL CL E 207 >VAL^C 7 126.72 121.76 20.31 125.90 123.28 18.93 126.31 122.52 19.62 3 0 17.35 -999 ? CL CL C 207 >ILE^C 8 124.61 120.20 24.36 125.14 119.32 24.22 124.88 119.76 24.29 3 0 18.34 -999 ? CL CL E 207 >LEU^C 9 120.08 121.08 20.74 120.95 121.56 18.82 120.51 121.32 19.78 3 0 15.94 -999 ? CL CL C 207 >THR^C 10 117.90 120.47 24.83 118.61 120.08 26.84 118.26 120.28 25.83 2 0 21.93 -999 ? CL CL E 207 >VAL^C 11 114.14 120.95 24.35 113.39 120.97 22.27 113.76 120.96 23.31 3 0 19.11 -999 ? CL CL D 208 >ALA^C 12 111.56 121.12 27.18 112.14 121.64 28.48 111.85 121.38 27.83 2 0 19.84 -999 ? CL CL D 208 >SER^C 13 107.83 121.75 27.29 106.17 120.07 27.93 107.00 120.91 27.61 2 0 17.49 -999 ? CL CL D 208 >VAL^C 14 107.08 124.36 29.92 108.79 125.62 30.51 107.93 124.99 30.22 3 0 16.91 -999 ? CL CL D 208 >ASP~C 15 103.30 125.58 32.67 102.79 123.52 33.02 103.04 124.55 32.84 2 0 18.21 -999 ? CL CL D 208 >PHE~C 16 102.04 130.90 28.29 102.34 133.18 26.65 102.19 132.04 27.47 3 0 10.26 -999 ? CL CL D 208 >SER~C 17 102.71 130.59 33.56 101.69 128.73 34.76 102.20 129.66 34.16 2 0 17.78 -999 ? CL CL D 208 >TYR~C 18 107.47 127.30 35.58 109.53 126.47 37.30 108.50 126.89 36.44 3 0 21.62 -999 ? CL CL D 208 >ARG~C 19 107.55 130.72 28.03 107.09 131.48 25.06 107.32 131.10 26.55 2 0 10.60 -999 ? CL CL D 208 >GLU~C 20 108.95 136.45 33.40 108.23 138.13 34.47 108.59 137.29 33.94 2 0 19.77 -999 ? CL CL D 208 >THR~C 21 110.57 131.76 36.51 109.63 130.70 38.20 110.10 131.23 37.36 2 0 23.01 -999 ? CL CL D 208 >MET?C 22 112.17 129.61 33.83 112.26 126.18 32.95 112.21 127.89 33.39 2 0 20.89 -999 ? CL CL D 208 >ALA~C 23 113.90 132.60 32.19 113.18 133.79 31.55 113.54 133.20 31.87 2 0 19.48 -999 ? CL CL D 208 >ARG~C 24 114.74 134.06 39.38 111.69 134.54 39.79 113.22 134.30 39.59 2 0 25.36 -999 ? CL CL D 208 >LEU~C 25 115.68 128.96 37.13 114.67 128.80 39.07 115.17 128.88 38.10 3 0 26.00 -999 ? CL CL D 208 >MET?C 26 118.25 129.65 33.31 117.31 126.60 32.18 117.78 128.12 32.75 2 0 23.66 -999 ? CL CL D 208 >SER~C 27 120.22 132.93 33.50 118.50 134.40 34.37 119.36 133.67 33.94 2 0 25.30 -999 ? CL CL D 208 >SER~C 28 121.62 131.81 36.87 121.66 130.75 39.03 121.64 131.28 37.95 2 0 30.78 -999 ? CL CL D 208 >TYR~C 29 121.83 126.21 34.40 122.65 123.61 33.73 122.24 124.91 34.06 3 0 28.49 -999 ? CL CL E 207 >SER~C 30 124.30 129.82 31.98 123.09 130.13 29.89 123.70 129.98 30.94 2 0 25.81 -999 ? CL CL C 207 >ASP~C 32 126.44 128.02 36.67 127.14 126.76 38.17 126.79 127.39 37.42 2 0 31.94 -999 ? CL CL E 207 >LEU~C 33 127.32 126.30 31.79 125.92 124.68 31.88 126.62 125.49 31.83 3 0 26.91 -999 ? CL CL E 207 >ILE~C 34 129.78 131.01 30.77 129.45 132.12 29.93 129.61 131.56 30.35 3 0 28.46 -999 ? CL CL C 207 >ASP~C 35 132.00 131.13 35.35 131.66 133.16 34.73 131.83 132.14 35.04 2 0 33.51 -999 ? CL CL C 207 >ASN~C 36 131.95 126.29 36.78 132.09 127.76 38.32 132.02 127.02 37.55 2 0 32.92 -999 ? CL CL E 207 >ALA~C 37 132.18 124.14 32.72 130.78 123.77 32.26 131.48 123.96 32.49 2 0 25.84 -999 ? CL CL E 207 >GLY~C 38 134.23 126.04 30.09 133.42 125.90 30.08 133.82 125.97 30.08 1 0 26.91 -999 ? CL CL E 207 >ALA~C 39 131.09 126.53 27.97 129.67 126.63 28.50 130.38 126.58 28.23 2 0 26.04 -999 ? CL CL E 207 >LYS~C 40 131.89 128.79 25.03 137.16 128.00 24.14 134.52 128.39 24.58 2 0 26.91 -999 ? CL CL E 207 >GLY~C 41 128.43 130.39 25.15 128.46 129.61 25.40 128.44 130.00 25.28 1 0 23.14 -999 ? CL CL C 207 >THR^C 42 124.77 129.45 25.54 124.65 129.25 27.73 124.71 129.35 26.64 2 0 23.98 -999 ? CL CL C 207 >ARG^C 43 122.29 132.29 21.20 124.90 133.93 21.47 123.60 133.11 21.34 2 0 19.49 -999 ? CL CL C 207 >PHE^C 44 116.71 130.18 27.55 114.29 129.59 28.83 115.50 129.89 28.19 3 0 19.23 -999 ? CL CL D 208 >GLY^C 45 114.78 130.67 23.51 114.71 129.96 23.86 114.74 130.31 23.69 1 0 16.31 -999 ? CL CL D 208 >SER^C 46 111.29 129.58 22.50 110.13 131.64 22.07 110.71 130.61 22.28 2 0 11.40 -999 ? CL CL D 208 >ILE^C 47 110.65 125.98 19.23 111.12 124.78 19.02 110.89 125.38 19.13 3 0 13.37 -999 ? CL CL D 208 >GLY~C 48 108.49 129.69 17.23 108.60 128.92 17.00 108.54 129.31 17.12 1 0 9.23 -999 ? CL CL D 208 >THR~C 49 107.44 127.19 14.57 108.64 128.14 13.04 108.04 127.67 13.80 2 0 10.92 -999 ? CL CL D 208 >GLY~C 50 106.68 123.57 13.80 106.24 124.00 14.35 106.46 123.79 14.07 1 0 11.96 -999 ? CL CL D 208 >HIS~C 52 108.88 120.08 18.65 109.27 118.04 18.35 109.07 119.06 18.50 3 0 16.46 -999 ? CL CL D 208 >ALA~C 53 105.99 125.54 18.66 104.92 126.09 17.75 105.45 125.81 18.20 2 0 8.31 -999 ? CL CL D 208 >GLY~C 54 106.00 126.91 22.23 106.59 126.42 22.03 106.30 126.66 22.13 1 0 9.67 -999 ? CL CL D 208 >SER~C 55 108.60 124.52 23.61 108.22 122.17 23.24 108.41 123.35 23.43 2 0 14.59 -999 ? CL CL D 208 >LEU^C 56 111.78 126.65 26.44 110.46 128.30 27.22 111.12 127.47 26.83 3 0 15.58 -999 ? CL CL D 208 >ILE^C 57 115.29 125.32 22.14 116.01 125.64 20.87 115.65 125.48 21.51 3 0 16.84 -999 ? CL CL C 207 >PHE^C 58 119.82 125.74 27.57 121.82 127.02 29.08 120.82 126.38 28.32 3 0 23.63 -999 ? CL CL C 207 >ILE^C 59 121.81 126.21 21.88 121.61 126.34 20.44 121.71 126.27 21.16 3 0 16.71 -999 ? CL CL C 207 >GLN^C 60 124.27 123.90 26.81 124.46 122.29 28.24 124.36 123.09 27.53 2 0 22.54 -999 ? CL CL E 207 >PHE^C 61 127.81 127.19 21.47 125.60 128.34 20.18 126.70 127.76 20.83 3 0 18.21 -999 ? CL CL C 207 >TYR^C 62 130.48 122.23 25.83 128.67 122.71 27.92 129.57 122.47 26.88 3 0 21.61 -999 ? CL CL E 207 >ASP~C 63 136.41 123.67 22.64 136.35 125.72 21.89 136.38 124.70 22.27 2 0 23.97 -999 ? CL CL E 207 >ASP~C 64 136.70 118.98 24.10 137.01 120.03 25.92 136.86 119.50 25.01 2 0 20.79 -999 ? CL CL E 207 >LEU~C 65 132.67 115.25 24.52 131.21 114.77 22.91 131.94 115.01 23.72 3 0 14.00 -999 ? CL CL E 207 >THR~C 66 135.09 116.89 28.32 137.07 116.52 29.12 136.08 116.70 28.72 2 0 20.14 -999 ? CL CL E 207 >GLY~C 67 133.57 120.37 28.68 133.24 119.62 28.64 133.41 119.99 28.66 1 0 21.44 -999 ? CL CL E 207 >TYR~C 68 128.09 117.80 27.43 125.43 117.05 27.75 126.76 117.43 27.59 3 0 17.97 -999 ? CL CL E 207 >GLN~C 69 132.37 114.33 32.31 133.55 112.58 32.10 132.96 113.46 32.20 2 0 19.00 -999 ? CL CL E 207 >ALA~C 71 128.73 120.74 32.76 128.24 121.15 31.39 128.48 120.94 32.07 2 0 23.18 -999 ? CL CL E 207 >LEU~C 72 127.16 116.10 33.13 126.05 115.49 31.35 126.61 115.79 32.24 3 0 20.28 -999 ? CL CL E 207 >GLU~C 73 130.29 115.46 36.93 132.16 114.62 36.34 131.23 115.04 36.63 2 0 23.31 -999 ? CL CL E 207 >ILE~C 74 128.15 122.42 36.71 128.43 123.48 37.72 128.29 122.95 37.21 3 0 28.57 -999 ? CL CL E 207 >GLN~C 75 123.06 119.88 34.83 122.03 118.56 33.49 122.54 119.22 34.16 2 0 23.80 -999 ? CL CL E 207 >SER~C 76 124.07 117.65 39.98 126.28 116.73 39.56 125.17 117.19 39.77 2 0 26.98 -999 ? CL CL E 207 >SER~C 78 123.23 123.28 41.02 122.52 124.94 39.40 122.87 124.11 40.21 2 0 32.10 -999 ? CL CL E 207 >SER~C 79 120.35 124.65 43.11 121.18 125.33 45.30 120.76 124.99 44.21 2 0 35.84 -999 ? CL CL D 208 >VAL~C 80 118.94 126.50 40.11 119.37 128.12 38.71 119.16 127.31 39.41 3 0 29.74 -999 ? CL CL D 208 >PHE~C 81 119.45 121.11 36.91 118.56 118.91 35.43 119.01 120.01 36.17 3 0 27.58 -999 ? CL CL E 207 >GLU~C 83 113.42 126.34 41.79 113.63 128.21 42.76 113.53 127.28 42.28 2 0 29.15 -999 ? CL CL D 208 >ILE~C 84 114.48 123.71 36.49 114.67 124.08 35.01 114.58 123.90 35.75 3 0 25.06 -999 ? CL CL D 208 >MET?C 85 113.18 119.99 37.91 114.96 118.41 35.13 114.07 119.20 36.52 2 0 27.25 -999 ? CL CL D 208 >SER~C 87 108.99 122.67 39.90 109.45 123.04 37.51 109.22 122.86 38.70 2 0 24.19 -999 ? CL CL D 208 >GLY~C 88 107.12 120.06 37.89 107.33 120.83 37.67 107.23 120.44 37.78 1 0 25.02 -999 ? CL CL D 208 >ALA^C 90 109.46 121.86 32.98 110.81 122.44 33.27 110.13 122.15 33.13 2 0 21.76 -999 ? CL CL D 208 >ASN^C 91 108.26 117.87 30.75 108.55 116.02 29.65 108.40 116.94 30.20 2 0 22.33 -999 ? CL CL D 208 >ILE^C 92 114.19 117.66 29.71 115.48 117.92 30.07 114.84 117.79 29.89 3 0 24.02 -999 ? CL CL E 207 >TYR^C 93 109.99 116.94 24.71 109.30 118.92 22.87 109.65 117.93 23.79 3 0 18.76 -999 ? CL CL D 208 >LEU^C 94 114.24 116.47 22.44 114.67 115.58 20.49 114.45 116.02 21.47 3 0 19.45 -999 ? CL CL E 207 >ARG^C 95 120.99 116.49 27.04 119.12 116.13 29.51 120.06 116.31 28.27 2 0 20.58 -999 ? CL CL E 207 >ASN^C 96 120.32 115.46 19.96 118.93 113.86 20.00 119.62 114.66 19.98 2 0 14.49 -999 ? CL CL E 207 >ILE^C 97 125.70 115.66 21.24 126.65 115.47 22.36 126.18 115.57 21.80 3 0 13.32 -999 ? CL CL E 207 >SER^C 98 125.85 117.91 17.22 125.23 119.08 15.24 125.54 118.50 16.23 2 0 14.57 -999 ? CL CL C 207 >THR^C 99 129.32 118.39 15.73 129.74 116.85 14.26 129.53 117.62 14.99 2 0 13.19 -999 ? CL CL E 207 >SER^C 100 130.28 121.92 14.70 130.08 124.31 15.20 130.18 123.11 14.95 2 0 15.99 -999 ? CL CL C 207 >LEU~C 101 132.33 121.07 10.49 132.06 118.91 10.75 132.19 119.99 10.62 3 0 16.55 -999 ? CL CL C 207 >PRO~C 102 136.74 123.28 11.13 134.67 124.13 10.77 135.71 123.70 10.95 3 0 18.86 -999 ? CL CL C 207 >THR~C 103 133.24 127.07 7.94 131.16 127.16 8.61 132.20 127.12 8.28 2 0 13.65 -999 ? CL CL C 207 >LYS~C 104 134.52 130.04 5.93 139.47 128.77 2.25 137.00 129.40 4.09 2 0 21.71 -999 ? CL CL C 207 >PHE~C 105 129.67 132.66 8.15 127.49 134.38 8.44 128.58 133.52 8.29 3 0 13.17 -999 ? CL CL C 207 >GLU~C 106 134.10 137.93 9.44 134.85 139.46 8.23 134.47 138.70 8.84 2 0 21.56 -999 ? CL CL C 207 >GLN~C 107 132.09 132.77 13.37 130.31 131.76 12.69 131.20 132.26 13.03 2 0 15.50 -999 ? CL CL C 207 >SER~C 108 129.83 138.21 14.80 128.46 140.23 14.92 129.14 139.22 14.86 2 0 20.03 -999 ? CL CL C 207 >GLU~C 110 124.74 142.00 17.35 124.11 142.81 15.48 124.43 142.40 16.41 2 0 20.48 -999 ? CL CL C 207 >PRO~C 112 122.00 135.04 18.19 121.73 137.27 18.42 121.86 136.16 18.30 3 0 17.06 -999 ? CL CL C 207 >TYR^C 114 114.39 136.04 15.52 112.24 137.57 16.44 113.32 136.80 15.98 3 0 14.32 -999 ? CL CL D 208 >ILE^C 115 118.72 130.63 16.40 119.57 130.31 17.23 119.14 130.47 16.81 3 0 12.68 -999 ? CL CL C 207 >VAL^C 116 116.98 129.45 12.26 116.14 130.08 10.29 116.56 129.76 11.27 3 0 7.40 -999 ? CL CL C 207 >LEU^C 117 117.42 124.88 13.85 118.66 125.04 15.63 118.04 124.96 14.74 3 0 9.98 -999 ? CL CL C 207 >THR^C 118 117.67 123.65 9.37 117.57 124.64 7.43 117.62 124.14 8.40 2 0 -3.14 -999 ? CL CL C 207s >ARG^C 119 117.45 117.06 11.77 114.58 116.30 12.62 116.01 116.68 12.20 2 0 13.18 -999 ? CL CL C 207 >ALA^C 120 118.78 117.73 6.19 119.51 118.56 5.15 119.15 118.15 5.67 2 0 7.96 -999 ? CL CL C 207 >GLU^C 121 118.70 111.76 4.72 117.16 110.32 4.74 117.93 111.04 4.73 2 0 16.08 -999 ? CL CL C 207 >ALA~C 122 122.36 113.53 2.84 123.14 114.83 2.71 122.75 114.18 2.77 2 0 12.79 -999 ? CL CL C 207 >ALA~C 123 124.88 110.72 2.23 125.29 110.14 0.89 125.09 110.43 1.56 2 0 16.69 -999 ? CL CL E 207 >MET?C 124 127.98 110.81 4.50 130.52 108.09 6.54 129.25 109.45 5.52 2 0 10.55 -999 ? CL CL E 207 >SER~C 125 129.99 110.65 1.27 128.60 109.46 -0.37 129.30 110.05 0.45 2 0 17.30 -999 ? CL CL E 207 >ASP~C 126 127.08 114.27 -0.13 126.39 112.99 -1.66 126.74 113.63 -0.89 2 0 17.07 -999 ? CL CL C 207 >ASP~C 128 133.74 117.14 0.56 135.16 116.21 1.78 134.45 116.67 1.17 2 0 19.96 -999 ? CL CL E 207 >LYS~C 129 130.19 118.88 -1.41 127.09 115.49 -5.07 128.64 117.18 -3.24 2 0 17.28 -999 ? CL CL C 207 >PHE~C 130 126.01 119.28 2.94 123.37 119.68 3.77 124.69 119.48 3.36 3 0 9.69 -999 ? CL CL C 207 >LEU~C 131 131.84 121.49 3.81 133.03 122.50 5.36 132.43 122.00 4.59 3 0 15.03 -999 ? CL CL C 207 >ASN~C 132 131.65 122.75 -1.52 133.63 122.56 -2.15 132.64 122.65 -1.84 2 0 17.50 -999 ? CL CL C 207 >CYH~C 133 127.95 124.80 -0.82 126.57 122.88 -2.31 127.26 123.84 -1.57 2 0 11.67 -999 ? CL CL C 207 >ILE~C 134 127.88 125.38 3.97 126.69 125.53 4.26 127.29 125.45 4.12 3 0 9.31 -999 ? CL CL C 207 >ASN~C 135 132.40 127.54 2.19 132.74 126.62 4.07 132.57 127.08 3.13 2 0 14.71 -999 ? CL CL C 207 >ASP~C 136 129.75 128.32 -2.67 131.38 128.31 -4.02 130.57 128.31 -3.34 2 0 16.13 -999 ? CL CL C 207 >THR~C 137 126.81 130.81 -0.07 125.33 129.23 -0.27 126.07 130.02 -0.17 2 0 9.35 -999 ? CL CL C 207 >ALA~C 138 128.51 132.28 3.07 129.98 132.13 3.43 129.25 132.20 3.25 2 0 13.32 -999 ? CL CL C 207 >SER~C 139 128.09 135.77 1.54 128.17 135.57 -0.88 128.13 135.67 0.33 2 0 14.82 -999 ? CL CL C 207 >CYH~C 140 124.31 135.32 1.05 123.10 133.80 -1.05 123.71 134.56 0.00 2 0 10.75 -999 ? CL CL C 207 >PHE~C 141 123.79 132.72 5.24 122.57 130.35 4.48 123.18 131.54 4.86 3 0 7.27 -999 ? CL CL C 207 >ASP~C 143 125.18 139.89 1.66 126.90 139.71 0.40 126.04 139.80 1.03 2 0 16.61 -999 ? CL CL C 207 >ASN~C 144 120.93 139.34 3.61 120.84 139.70 1.49 120.88 139.52 2.55 2 0 14.02 -999 ? CL CL C 207 >GLY~C 145 122.65 140.52 8.05 122.82 139.80 7.83 122.74 140.16 7.94 1 0 15.21 -999 ? CL CL C 207 >ALA~C 146 123.36 137.01 9.39 123.63 135.77 8.58 123.49 136.39 8.98 2 0 11.54 -999 ? CL CL C 207 >LEU~C 147 124.80 137.55 13.89 123.80 139.48 14.22 124.30 138.51 14.06 3 0 16.46 -999 ? CL CL C 207 >THR^C 148 126.60 133.57 13.18 126.26 133.65 15.30 126.43 133.61 14.24 2 0 15.14 -999 ? CL CL C 207 >LEU^C 149 126.86 130.51 9.73 127.26 129.04 8.15 127.06 129.78 8.94 3 0 10.45 -999 ? CL CL C 207 >ARG^C 150 128.01 128.04 15.73 128.82 129.90 18.05 128.41 128.97 16.89 2 0 17.38 -999 ? CL CL C 207 >PHE^C 151 127.54 122.77 8.21 127.56 120.65 6.38 127.55 121.71 7.30 3 0 10.86 -999 ? CL CL C 207 >GLY^C 152 127.68 119.88 11.46 126.89 119.98 11.16 127.28 119.93 11.31 1 0 13.35 -999 ? CL CL C 207 >ASN^C 153 126.68 115.36 11.25 126.90 115.71 9.16 126.79 115.53 10.20 2 0 13.81 -999 ? CL CL E 207 >LEU~C 154 122.20 114.99 14.61 120.58 116.43 15.08 121.39 115.71 14.84 3 0 13.93 -999 ? CL CL E 207 >LEU~C 155 127.01 112.98 17.49 129.07 113.20 16.67 128.04 113.09 17.08 3 0 9.34 -999 ? CL CL E 207 >THR~C 156 122.85 111.37 18.69 123.45 112.42 20.51 123.15 111.89 19.60 2 0 10.98 -999 ? CL CL E 207 >GLY~C 157 119.11 110.58 18.64 119.56 110.21 18.07 119.34 110.40 18.35 1 0 11.92 -999 ? CL CL E 207 >SER~C 158 116.54 109.49 16.06 114.65 108.80 17.34 115.60 109.15 16.70 2 0 14.84 -999 ? CL CL E 207 >ASN~C 159 117.38 113.25 13.31 115.29 113.27 12.95 116.34 113.26 13.13 2 0 15.65 -999 ? CL CL C 207 >VAL~C 160 121.53 110.78 14.06 122.62 108.96 14.51 122.08 109.87 14.29 3 0 9.03 -999 ? CL CL E 207 >GLY~C 161 123.58 111.50 10.92 123.06 112.07 11.16 123.32 111.79 11.04 1 0 10.46 -999 ? CL CL E 207 >ASN~C 162 120.03 114.78 10.17 118.44 113.46 9.62 119.24 114.12 9.89 2 0 13.77 -999 ? CL CL C 207 >TYR^C 163 124.71 117.09 6.72 126.57 115.41 5.50 125.64 116.25 6.11 3 0 12.71 -999 ? CL CL C 207 >LEU^C 164 122.27 120.20 12.40 120.82 120.86 13.91 121.54 120.53 13.16 3 0 10.73 -999 ? CL CL C 207 >LEU^C 165 122.38 124.65 8.69 123.45 126.26 7.53 122.92 125.46 8.11 3 0 5.92 -999 ? CL CL C 207 >GLY^C 166 122.20 126.94 12.81 122.73 127.11 12.13 122.46 127.03 12.47 1 0 8.98 -999 ? CL CL C 207 >VAL^C 167 122.22 130.61 11.75 122.34 130.98 9.55 122.28 130.79 10.65 3 0 8.42 -999 ? CL CL C 207 >GLY^C 168 121.90 133.69 14.01 121.98 133.78 13.18 121.94 133.73 13.60 1 0 12.33 -999 ? CL CL C 207 >TYR^C 169 119.07 135.49 10.90 119.60 133.75 8.78 119.34 134.62 9.84 3 0 9.72 -999 ? CL CL C 207 >PRO~C 170 120.23 141.11 12.35 119.48 139.68 13.93 119.86 140.40 13.14 3 0 16.38 -999 ? CL CL C 207 >SER~C 171 115.77 140.42 12.88 116.24 141.74 10.93 116.00 141.08 11.91 2 0 16.63 -999 ? CL CL C 207 >MET?C 172 113.29 138.62 10.76 110.08 136.82 12.55 111.68 137.72 11.65 2 0 12.25 -999 ? CL CL D 208 >GLU~C 173 114.25 143.37 6.78 114.11 145.50 6.84 114.18 144.44 6.81 2 0 19.63 -999 ? CL CL C 207 >ALA~C 174 117.38 139.71 7.79 118.39 139.73 8.89 117.88 139.71 8.34 2 0 13.95 -999 ? CL CL C 207 >ILE~C 175 115.06 135.30 8.33 114.87 134.15 9.26 114.96 134.73 8.79 3 0 9.73 -999 ? CL CL C 207 >GLU~C 176 111.91 138.75 3.33 110.25 140.09 3.55 111.08 139.42 3.44 2 0 13.35 -999 ? CL CL D 207 >LYS~C 177 116.52 139.02 2.71 113.20 142.90 1.59 114.86 140.96 2.15 2 0 16.06 -999 ? CL CL D 207 >THR~C 178 118.81 136.08 3.26 120.01 135.34 4.82 119.41 135.71 4.04 2 0 9.17 -999 ? CL CL C 207 >TYR~C 179 115.75 131.76 3.66 116.86 129.79 5.38 116.30 130.77 4.52 3 0 -4.74 -999 ? CL CL C 207s >ASP~C 180 115.11 137.34 -0.93 113.08 137.76 -0.44 114.10 137.55 -0.68 2 0 11.05 -999 ? CL CL D 207 >GLU~C 181 121.38 136.55 -2.50 122.55 138.26 -2.03 121.96 137.40 -2.26 2 0 14.45 -999 ? CL CL C 207 >LEU~C 182 119.57 131.47 0.43 120.86 130.04 1.49 120.22 130.76 0.96 3 0 6.25 -999 ? CL CL C 207 >LEU~C 183 115.34 130.53 -2.52 114.10 129.44 -1.06 114.72 129.98 -1.79 3 0 5.52 -999 ? CL CL D 207 >ALA~C 184 118.05 131.98 -6.12 117.45 133.28 -6.57 117.75 132.63 -6.34 2 0 11.76 -999 ? CL CL D 207 >HIS~C 185 123.93 131.34 -4.55 126.02 131.27 -4.73 124.98 131.31 -4.64 3 0 12.75 -999 ? CL CL C 207 >SER~C 186 123.45 128.30 -7.87 125.73 129.09 -8.22 124.59 128.70 -8.05 2 0 15.41 -999 ? CL CL C 207 >SER~C 187 125.18 126.51 -4.98 127.48 127.25 -4.75 126.33 126.88 -4.86 2 0 13.49 -999 ? CL CL C 207 >TYR~C 188 119.70 126.96 -1.92 117.50 126.03 -0.49 118.60 126.50 -1.21 3 0 6.09 -999 ? CL CL C 207 >LYS~C 189 120.04 124.72 -6.18 119.01 129.73 -9.16 119.53 127.22 -7.67 2 0 13.23 -999 ? CL CL D 207 >GLU~C 190 125.21 121.36 -7.13 127.30 121.53 -6.82 126.25 121.44 -6.97 2 0 15.66 -999 ? CL CL C 207 >LEU~C 191 122.71 122.33 -1.53 123.02 121.82 0.62 122.87 122.07 -0.46 3 0 8.36 -999 ? CL CL C 207 >MET?C 192 119.02 120.53 -3.48 116.94 122.12 -1.25 117.98 121.32 -2.37 2 0 7.53 -999 ? CL CL C 207 >THR~C 193 120.14 117.78 -5.87 121.64 118.60 -7.21 120.89 118.19 -6.54 2 0 14.80 -999 ? CL CL C 207 >PHE~C 194 124.06 116.70 -2.75 125.51 118.90 -1.79 124.79 117.80 -2.27 3 0 13.03 -999 ? CL CL C 207 >ALA~C 195 120.29 116.89 0.23 121.06 118.02 0.85 120.67 117.45 0.54 2 0 9.75 -999 ? CL CL C 207 >LYS^C 196 116.71 116.80 1.44 112.89 113.43 3.94 114.80 115.11 2.69 2 0 13.97 -999 ? CL CL C 207 >VAL^C 197 115.76 119.38 4.03 115.88 121.51 4.17 115.82 120.44 4.10 3 0 6.39 -999 ? CL CL C 207 >ASN^C 198 113.77 116.13 6.79 115.29 115.95 8.29 114.53 116.04 7.54 2 0 11.32 -999 ? CL CL C 207 >MET?C 199 113.01 120.35 9.05 114.39 121.19 12.59 113.70 120.77 10.82 2 0 10.00 -999 ? CL CL C 207 >ARG^C 200 113.99 127.03 6.97 113.73 125.72 4.20 113.86 126.37 5.58 2 0 -4.41 -999 ? CL CL D 207s >ASN^C 201 112.14 125.24 13.61 110.64 123.79 13.19 111.39 124.51 13.40 2 0 11.45 -999 ? CL CL C 207 >ILE^C 202 112.10 130.88 13.52 112.29 132.06 12.45 112.19 131.47 12.99 3 0 11.24 -999 ? CL CL C 207 >ILE^C 203 115.10 129.56 18.34 115.86 128.62 18.95 115.48 129.09 18.64 3 0 14.28 -999 ? CL CL C 207 >LYS^C 204 113.22 133.50 19.40 108.79 138.07 20.43 111.01 135.79 19.91 2 0 11.00 -999 ? CL CL D 208 >ILE^C 205 117.35 134.96 21.60 118.34 133.96 21.99 117.85 134.46 21.79 3 0 18.72 -999 ? CL CL D 208 >LEU~C 206 113.53 134.07 25.96 111.54 133.32 25.44 112.53 133.69 25.70 3 0 15.24 -999 ? CL CL D 208 >SER~D 2 75.60 130.84 6.04 73.41 131.77 5.61 74.51 131.30 5.82 2 0 28.89 -999 ? CL CL D 208 >ASN~D 3 77.55 134.36 8.79 77.19 136.42 8.58 77.37 135.39 8.68 2 0 24.55 -999 ? CL CL D 208 >ILE~D 4 80.12 129.48 8.31 79.52 129.18 8.89 79.82 129.33 8.60 3 0 22.05 -999 ? CL CL D 208 >ASN^D 5 83.56 131.62 4.28 82.38 133.22 3.59 82.97 132.42 3.93 2 0 22.25 -999 ? CL CL D 208 >TYR^D 6 82.96 126.06 4.12 80.53 125.75 5.48 81.74 125.91 4.80 3 0 23.01 -999 ? CL CL D 208 >VAL^D 7 88.82 127.06 3.37 90.24 128.48 4.29 89.53 127.77 3.83 3 0 17.73 -999 ? CL CL D 208 >ILE^D 8 89.84 123.40 0.30 89.05 123.14 0.09 89.45 123.27 0.20 3 0 21.88 -999 ? CL CL D 207 >LEU^D 9 94.53 123.67 3.77 93.90 125.12 5.24 94.21 124.40 4.50 3 0 16.32 -999 ? CL CL D 208 >THR^D 10 96.03 120.93 0.23 95.22 120.25 -1.64 95.63 120.59 -0.71 2 0 17.36 -999 ? CL CL D 207 >VAL^D 11 99.65 119.90 0.84 100.59 120.19 2.74 100.12 120.04 1.79 3 0 12.93 -999 ? CL CL D 207 >ALA^D 12 101.90 118.04 -1.56 101.42 118.24 -2.97 101.66 118.14 -2.27 2 0 13.58 -999 ? CL CL D 207 >SER^D 13 105.52 117.04 -1.81 105.72 114.69 -2.02 105.62 115.87 -1.92 2 0 13.73 -999 ? CL CL D 207 >VAL^D 14 107.01 118.26 -5.09 105.82 119.74 -6.18 106.41 119.00 -5.63 3 0 11.36 -999 ? CL CL D 207 >ASP~D 15 110.67 117.07 -8.09 109.98 115.07 -8.26 110.32 116.07 -8.18 2 0 15.14 -999 ? CL CL D 207 >PHE~D 16 114.34 122.48 -5.41 115.17 125.15 -5.13 114.75 123.82 -5.27 3 0 7.97 -999 ? CL CL D 207 >SER~D 17 113.08 121.12 -10.01 113.25 118.76 -10.55 113.17 119.94 -10.28 2 0 14.37 -999 ? CL CL D 207 >TYR~D 18 107.26 119.81 -11.63 105.06 119.54 -13.38 106.16 119.68 -12.50 3 0 16.10 -999 ? CL CL D 207 >ARG~D 19 109.81 125.16 -4.95 110.56 125.33 -1.96 110.19 125.24 -3.45 2 0 -3.43 -999 ? CL CL D 207s >GLU~D 20 110.94 127.97 -11.37 112.28 128.47 -12.94 111.61 128.22 -12.16 2 0 14.07 -999 ? CL CL D 207 >THR~D 21 106.64 124.97 -13.59 107.01 123.45 -15.11 106.82 124.21 -14.35 2 0 16.97 -999 ? CL CL D 207 >MET?D 22 104.17 124.00 -10.85 102.70 121.36 -9.08 103.44 122.68 -9.97 2 0 14.22 -999 ? CL CL D 207 >ALA~D 23 103.50 127.64 -9.83 104.57 128.63 -9.39 104.04 128.14 -9.61 2 0 12.32 -999 ? CL CL D 207 >LEU~D 25 100.74 124.11 -13.91 101.33 122.80 -15.59 101.04 123.45 -14.75 3 0 18.97 -999 ? CL CL D 207 >MET?D 26 98.75 126.47 -10.60 98.32 123.79 -8.82 98.53 125.13 -9.71 2 0 16.35 -999 ? CL CL D 207 >SER~D 27 97.98 130.09 -11.44 99.81 130.95 -12.73 98.89 130.52 -12.09 2 0 18.14 -999 ? CL CL D 207 >SER~D 28 96.22 128.80 -14.59 95.84 127.77 -16.72 96.03 128.28 -15.65 2 0 23.32 -999 ? CL CL D 207 >TYR~D 29 93.92 124.27 -11.00 92.14 122.59 -9.62 93.03 123.43 -10.31 3 0 21.53 -999 ? CL CL D 207 >SER~D 30 93.51 129.15 -10.07 95.07 129.58 -8.25 94.29 129.37 -9.16 2 0 18.59 -999 ? CL CL D 207 >ASP~D 32 90.44 126.85 -14.00 89.14 125.55 -15.06 89.79 126.20 -14.53 2 0 27.16 -999 ? CL CL D 207 >LEU~D 33 89.38 127.48 -8.98 89.86 125.46 -8.47 89.62 126.47 -8.72 3 0 23.48 -999 ? CL CL D 207 >ILE~D 34 89.10 132.77 -9.75 89.96 133.72 -9.25 89.53 133.25 -9.50 3 0 24.69 -999 ? CL CL D 207 >ASP~D 35 86.72 132.22 -14.29 88.12 133.84 -14.25 87.42 133.03 -14.27 2 0 28.33 -999 ? CL CL D 207 >ASN~D 36 84.71 127.60 -14.08 85.38 128.36 -15.94 85.04 127.98 -15.01 2 0 30.73 -999 ? CL CL D 207 >ALA~D 37 83.96 127.22 -9.60 85.13 126.46 -8.99 84.55 126.84 -9.30 2 0 27.73 -999 ? CL CL D 207 >GLY~D 38 83.15 130.56 -7.94 83.82 130.13 -7.81 83.49 130.35 -7.87 1 0 29.46 -999 ? CL CL D 207 >ALA~D 39 86.31 130.40 -5.84 87.60 129.74 -6.30 86.96 130.07 -6.07 2 0 24.65 -999 ? CL CL D 207 >LYS~D 40 86.71 133.63 -3.87 81.39 135.72 -3.96 84.05 134.68 -3.92 2 0 28.42 -999 ? CL CL D 208 >GLY~D 41 90.53 133.57 -4.14 90.19 132.83 -4.12 90.36 133.20 -4.13 1 0 22.09 -999 ? CL CL D 207 >THR^D 42 93.46 131.18 -3.85 93.41 130.33 -5.81 93.44 130.75 -4.83 2 0 19.14 -999 ? CL CL D 207 >ARG^D 43 96.76 133.70 -0.70 94.75 136.02 -0.81 95.75 134.86 -0.76 2 0 18.67 -999 ? CL CL D 207 >PHE^D 44 100.87 127.50 -5.43 102.56 125.35 -6.10 101.71 126.42 -5.76 3 0 11.49 -999 ? CL CL D 207 >GLY^D 45 103.18 128.74 -1.68 102.92 127.96 -1.75 103.05 128.35 -1.71 1 0 8.43 -999 ? CL CL D 207 >SER^D 46 105.88 126.64 -0.07 108.01 127.74 -0.01 106.95 127.19 -0.04 2 0 -3.23 -999 ? CL CL D 207s >ILE^D 47 105.25 124.32 4.22 104.42 123.43 4.93 104.84 123.88 4.57 3 0 7.78 -999 ? CL CL D 207 >GLY~D 48 108.85 127.30 5.05 108.45 126.78 5.52 108.65 127.04 5.29 1 0 4.60 -999 ? CL CL D 207 >THR~D 49 109.02 125.77 8.50 108.43 127.62 9.42 108.72 126.70 8.96 2 0 8.83 -999 ? CL CL D 207 >GLY~D 50 108.31 122.68 10.59 108.80 122.67 9.93 108.55 122.67 10.26 1 0 10.86 -999 ? CL CL D 207 >HIS~D 52 104.46 118.94 6.85 103.35 117.42 7.77 103.91 118.18 7.31 3 0 12.96 -999 ? CL CL D 207 >ALA~D 53 109.38 122.35 5.30 110.67 122.54 6.08 110.02 122.45 5.69 2 0 6.77 -999 ? CL CL D 207 >GLY~D 54 109.71 122.35 1.51 108.99 122.22 1.83 109.35 122.28 1.67 1 0 4.86 -999 ? CL CL D 207 >SER~D 55 106.30 120.86 0.72 106.06 118.86 2.01 106.18 119.86 1.36 2 0 9.57 -999 ? CL CL D 207 >LEU^D 56 103.96 123.08 -2.82 105.83 123.58 -3.91 104.89 123.33 -3.37 3 0 8.35 -999 ? CL CL D 207 >ILE^D 57 100.52 124.75 1.38 100.06 125.55 2.48 100.29 125.15 1.93 3 0 10.90 -999 ? CL CL D 207 >PHE^D 58 96.13 125.17 -4.20 94.46 126.44 -6.03 95.29 125.81 -5.12 3 0 16.89 -999 ? CL CL D 207 >ILE^D 59 95.07 128.28 0.74 95.20 128.65 2.17 95.14 128.47 1.46 3 0 15.93 -999 ? CL CL D 207 >GLN^D 60 91.56 125.69 -3.26 90.78 123.81 -3.94 91.17 124.75 -3.60 2 0 21.05 -999 ? CL CL D 207 >PHE^D 61 89.95 131.64 0.69 92.42 132.08 1.87 91.18 131.86 1.28 3 0 18.36 -999 ? CL CL D 208 >TYR^D 62 85.27 127.30 -2.39 86.91 126.21 -4.43 86.09 126.76 -3.41 3 0 25.29 -999 ? CL CL D 207 >ASP~D 63 80.70 131.93 -0.17 81.76 133.78 -0.21 81.23 132.86 -0.19 2 0 25.26 -999 ? CL CL D 208 >ASP~D 64 78.51 127.52 -0.55 77.28 129.07 0.04 77.89 128.30 -0.26 2 0 28.66 -999 ? CL CL D 208 >LEU~D 65 80.28 122.72 0.98 81.58 122.35 2.64 80.93 122.54 1.81 3 0 26.47 -999 ? CL CL D 208 >THR~D 66 78.67 123.94 -3.24 76.82 124.78 -3.95 77.75 124.36 -3.59 2 0 32.34 -999 ? CL CL D 208 >GLY~D 67 81.61 125.93 -4.55 81.55 125.17 -4.27 81.58 125.55 -4.41 1 0 29.31 -999 ? CL CL D 208 >TYR~D 68 85.63 121.75 -2.23 87.74 119.91 -2.36 86.69 120.83 -2.30 3 0 25.30 -999 ? CL CL D 207 >GLN~D 69 79.96 118.98 -5.72 78.17 118.23 -4.89 79.07 118.60 -5.30 2 0 27.64 -999 ? CL CL B 207 >ALA~D 71 85.77 122.82 -8.14 86.45 123.38 -6.92 86.11 123.10 -7.53 2 0 26.04 -999 ? CL CL D 207 >LEU~D 72 85.23 118.10 -6.90 86.16 117.19 -5.16 85.70 117.64 -6.03 3 0 25.41 -999 ? CL CL B 207 >ILE~D 74 86.80 122.76 -12.15 86.69 123.60 -13.34 86.75 123.18 -12.74 3 0 28.13 -999 ? CL CL D 207 >GLN~D 75 90.04 119.36 -9.36 90.78 118.54 -7.57 90.41 118.95 -8.47 2 0 23.53 -999 ? CL CL D 207 >SER~D 76 88.19 115.98 -13.62 85.80 116.26 -13.54 87.00 116.12 -13.58 2 0 27.26 -999 ? CL CL B 207 >SER~D 78 91.25 120.12 -16.33 92.81 121.59 -15.14 92.03 120.85 -15.73 2 0 24.91 -999 ? CL CL D 207 >SER~D 79 94.26 119.45 -18.59 93.89 121.30 -20.11 94.08 120.38 -19.35 2 0 27.75 -999 ? CL CL D 207 >VAL~D 80 96.50 121.54 -16.30 96.69 123.70 -15.90 96.59 122.62 -16.10 3 0 22.78 -999 ? CL CL D 207 >PHE~D 81 93.99 118.46 -11.53 93.82 117.04 -9.14 93.90 117.75 -10.33 3 0 22.50 -999 ? CL CL D 207 >LYS~D 82 95.99 116.09 -15.41 95.42 111.52 -17.57 95.70 113.81 -16.49 2 0 26.78 -999 ? CL CL B 207 >GLU~D 83 101.23 118.72 -17.58 101.57 120.68 -18.34 101.40 119.70 -17.96 2 0 22.42 -999 ? CL CL D 207 >ILE~D 84 99.86 118.79 -11.79 99.90 119.92 -10.85 99.88 119.35 -11.32 3 0 18.27 -999 ? CL CL D 207 >MET?D 85 99.24 114.35 -11.84 97.43 114.67 -9.12 98.33 114.51 -10.48 2 0 20.94 -999 ? CL CL D 207 >SER~D 87 104.14 114.18 -14.22 104.22 115.84 -12.43 104.18 115.01 -13.33 2 0 18.73 -999 ? CL CL D 207 >GLY~D 88 104.79 111.95 -11.19 104.96 112.75 -11.27 104.88 112.35 -11.23 1 0 20.34 -999 ? CL CL D 207 >LYS~D 89 106.60 114.97 -9.68 110.57 116.22 -14.06 108.59 115.60 -11.87 2 0 18.53 -999 ? CL CL D 207 >ALA^D 90 103.77 116.05 -7.31 102.86 117.13 -7.87 103.31 116.59 -7.59 2 0 15.57 -999 ? CL CL D 207 >ASN^D 91 103.14 112.85 -3.91 101.94 111.60 -2.65 102.54 112.23 -3.28 2 0 18.24 -999 ? CL CL D 207 >ILE^D 92 97.86 115.36 -3.11 96.71 116.08 -3.46 97.28 115.72 -3.29 3 0 18.27 -999 ? CL CL D 207 >TYR^D 93 101.69 114.50 1.99 103.26 116.58 2.96 102.48 115.54 2.48 3 0 14.36 -999 ? CL CL D 207 >LEU^D 94 97.93 116.56 4.02 97.49 116.69 6.15 97.71 116.62 5.09 3 0 17.35 -999 ? CL CL D 207 >ARG^D 95 91.30 118.22 -0.53 92.10 116.49 -2.99 91.70 117.35 -1.76 2 0 21.98 -999 ? CL CL D 207 >ASN^D 96 92.07 119.21 6.30 92.54 117.26 6.95 92.31 118.24 6.63 2 0 19.93 -999 ? CL CL D 208 >ILE^D 97 87.23 121.18 4.78 86.12 120.99 3.88 86.67 121.08 4.33 3 0 21.82 -999 ? CL CL D 208 >SER^D 98 88.32 124.49 7.66 89.41 126.09 9.07 88.87 125.29 8.36 2 0 14.82 -999 ? CL CL D 208 >THR^D 99 85.47 126.85 8.57 84.50 126.22 10.40 84.98 126.53 9.49 2 0 17.97 -999 ? CL CL D 208 >SER^D 100 86.08 130.57 8.30 87.03 132.49 7.20 86.56 131.53 7.75 2 0 16.36 -999 ? CL CL D 208 >LEU~D 101 84.17 132.24 12.31 83.48 130.31 13.04 83.82 131.28 12.68 3 0 16.67 -999 ? CL CL D 208 >PRO~D 102 81.01 135.60 10.57 83.25 135.63 10.78 82.13 135.62 10.67 3 0 19.12 -999 ? CL CL D 208 >THR~D 103 85.97 138.41 12.60 87.76 137.32 11.98 86.87 137.86 12.29 2 0 14.01 -999 ? CL CL D 208 >LYS~D 104 86.18 142.10 13.42 81.56 142.46 17.78 83.87 142.28 15.60 2 0 20.68 -999 ? CL CL D 208 >PHE~D 105 91.57 141.79 10.65 94.15 142.33 9.68 92.86 142.06 10.16 3 0 13.83 -999 ? CL CL D 208 >GLU~D 106 89.63 147.46 7.31 89.70 149.53 7.72 89.66 148.49 7.51 2 0 22.00 -999 ? CL CL D 208 >GLN~D 107 89.17 140.79 5.72 90.49 139.54 6.84 89.83 140.17 6.28 2 0 15.74 -999 ? CL CL D 208 >SER~D 108 93.07 144.14 2.75 95.20 145.01 1.90 94.14 144.58 2.32 2 0 20.48 -999 ? CL CL D 208 >TYR~D 109 90.72 143.05 -1.73 88.01 142.46 -1.37 89.37 142.75 -1.55 3 0 23.97 -999 ? CL CL D 208 >GLU~D 110 99.25 143.85 -0.46 100.60 144.49 0.99 99.93 144.17 0.27 2 0 20.34 -999 ? CL CL D 207 >HIS~D 111 98.78 137.80 -3.66 98.71 135.72 -3.95 98.75 136.76 -3.80 3 0 16.37 -999 ? CL CL D 207 >PRO~D 112 98.88 136.73 1.15 99.87 138.58 0.39 99.37 137.66 0.77 3 0 15.76 -999 ? CL CL D 207 >TYR^D 114 106.37 135.76 4.11 108.87 135.97 2.87 107.62 135.87 3.49 3 0 9.80 -999 ? CL CL D 207 >ILE^D 115 100.08 132.67 4.81 98.80 132.36 4.26 99.44 132.52 4.53 3 0 12.99 -999 ? CL CL D 208 >VAL^D 116 101.34 132.30 9.15 102.59 133.06 10.72 101.96 132.68 9.94 3 0 7.91 -999 ? CL CL D 208 >LEU^D 117 98.90 128.03 9.24 97.71 127.73 7.48 98.30 127.88 8.36 3 0 10.38 -999 ? CL CL D 208 >THR^D 118 98.59 128.71 13.78 99.18 130.14 15.33 98.88 129.42 14.55 2 0 -3.31 -999 ? CL CL D 208s >ARG^D 119 96.11 122.12 13.63 98.37 120.08 13.10 97.24 121.10 13.37 2 0 13.31 -999 ? CL CL D 208 >ALA^D 120 95.39 125.26 18.63 95.17 126.60 19.25 95.28 125.93 18.94 2 0 7.70 -999 ? CL CL D 208 >GLU^D 121 94.66 120.54 20.94 96.22 119.49 21.94 95.44 120.02 21.44 2 0 14.24 -999 ? CL CL D 208 >ALA~D 122 90.61 124.13 22.98 90.48 125.64 22.76 90.54 124.88 22.87 2 0 12.68 -999 ? CL CL D 208 >ALA~D 123 87.17 123.02 24.18 86.61 123.18 25.59 86.89 123.10 24.88 2 0 18.04 -999 ? CL CL D 208 >MET?D 124 84.23 123.56 21.75 80.97 121.45 19.89 82.60 122.50 20.82 2 0 21.93 -999 ? CL CL D 208 >SER~D 125 82.56 125.32 24.66 83.36 124.81 26.91 82.96 125.06 25.78 2 0 20.40 -999 ? CL CL D 208 >ASP~D 126 86.67 127.80 25.20 86.64 127.28 27.22 86.66 127.54 26.21 2 0 17.12 -999 ? CL CL D 208 >ASP~D 128 81.84 132.66 22.59 80.22 131.90 21.48 81.03 132.28 22.04 2 0 19.91 -999 ? CL CL D 208 >LYS~D 129 85.96 133.25 24.40 87.88 130.98 29.50 86.92 132.12 26.95 2 0 16.92 -999 ? CL CL D 208 >PHE~D 130 89.67 130.32 20.54 92.14 129.20 19.97 90.90 129.76 20.26 3 0 9.65 -999 ? CL CL D 208 >LEU~D 131 85.22 134.29 18.42 84.63 135.04 16.45 84.93 134.67 17.43 3 0 14.94 -999 ? CL CL D 208 >ASN~D 132 85.85 137.46 22.86 83.71 137.19 22.85 84.78 137.32 22.86 2 0 17.50 -999 ? CL CL D 208 >CYH~D 133 90.25 137.23 22.05 90.52 135.56 24.23 90.39 136.40 23.14 2 0 11.78 -999 ? CL CL D 208 >ILE~D 134 90.39 136.07 17.31 91.61 135.64 16.94 91.00 135.86 17.12 3 0 9.33 -999 ? CL CL D 208 >ASN~D 135 87.18 140.34 18.03 86.17 139.18 16.53 86.67 139.76 17.28 2 0 15.12 -999 ? CL CL D 208 >ASP~D 136 90.23 141.60 22.42 88.47 142.34 23.38 89.35 141.97 22.90 2 0 16.02 -999 ? CL CL D 208 >THR~D 137 93.78 141.52 19.34 94.24 139.49 19.86 94.01 140.51 19.60 2 0 9.14 -999 ? CL CL D 208 >ALA~D 138 92.72 142.57 15.81 91.32 142.96 15.40 92.02 142.76 15.60 2 0 13.53 -999 ? CL CL D 208 >SER~D 139 94.55 145.87 16.13 94.47 146.63 18.45 94.51 146.25 17.29 2 0 15.04 -999 ? CL CL D 208 >CYH~D 140 97.85 144.14 17.04 98.20 143.20 19.59 98.02 143.67 18.32 2 0 10.94 -999 ? CL CL D 208 >PHE~D 141 96.92 140.21 13.96 97.26 137.89 15.46 97.09 139.05 14.71 3 0 7.54 -999 ? CL CL D 208 >LYS~D 142 96.49 145.47 11.54 94.81 145.42 6.68 95.65 145.45 9.11 2 0 17.51 -999 ? CL CL D 208 >ASP~D 143 98.58 148.46 14.77 96.70 149.35 15.36 97.64 148.91 15.06 2 0 17.19 -999 ? CL CL D 208 >ASN~D 144 102.32 145.12 13.70 102.41 146.05 15.57 102.37 145.59 14.63 2 0 13.88 -999 ? CL CL D 208 >GLY~D 145 101.13 145.38 8.98 100.68 144.92 9.40 100.91 145.15 9.19 1 0 15.46 -999 ? CL CL D 208 >ALA~D 146 98.91 142.27 8.75 98.19 141.55 9.90 98.55 141.91 9.32 2 0 11.88 -999 ? CL CL D 208 >LEU~D 147 97.51 141.56 4.28 99.32 142.19 3.27 98.41 141.87 3.77 3 0 16.65 -999 ? CL CL D 208 >THR^D 148 94.31 139.41 6.17 94.68 138.43 4.22 94.50 138.92 5.19 2 0 15.38 -999 ? CL CL D 208 >LEU^D 149 92.84 138.24 10.44 92.65 137.69 12.58 92.75 137.96 11.51 3 0 10.67 -999 ? CL CL D 208 >ARG^D 150 89.55 135.06 6.06 88.21 137.34 4.43 88.88 136.20 5.24 2 0 18.07 -999 ? CL CL D 208 >PHE^D 151 89.35 132.37 14.16 88.71 131.05 16.48 89.03 131.71 15.32 3 0 10.95 -999 ? CL CL D 208 >GLY^D 152 87.78 128.88 12.34 88.58 128.72 12.57 88.18 128.80 12.45 1 0 13.53 -999 ? CL CL D 208 >ASN^D 153 87.00 124.52 13.97 86.81 125.61 15.75 86.91 125.06 14.86 2 0 14.77 -999 ? CL CL D 208 >LEU~D 154 90.44 121.31 11.34 92.41 121.73 10.56 91.42 121.52 10.95 3 0 15.30 -999 ? CL CL D 208 >LEU~D 155 85.35 120.67 8.61 83.31 121.36 8.80 84.33 121.02 8.71 3 0 21.16 -999 ? CL CL D 208 >THR~D 156 88.16 117.21 8.70 87.76 117.64 6.61 87.96 117.43 7.66 2 0 22.02 -999 ? CL CL D 208 >GLY~D 157 91.34 115.25 9.26 90.79 115.20 9.87 91.07 115.22 9.56 1 0 20.94 -999 ? CL CL D 208 >SER~D 158 93.35 113.94 12.21 94.72 112.38 10.95 94.04 113.16 11.58 2 0 21.81 -999 ? CL CL D 208 >ASN~D 159 94.35 118.39 13.51 96.22 117.75 14.28 95.28 118.07 13.89 2 0 15.56 -999 ? CL CL D 208 >VAL~D 160 89.46 117.77 13.36 87.83 116.36 13.54 88.65 117.07 13.45 3 0 19.48 -999 ? CL CL D 208 >GLY~D 161 88.16 120.30 15.90 88.84 120.48 15.49 88.50 120.39 15.70 1 0 16.93 -999 ? CL CL D 208 >ASN~D 162 92.82 121.91 15.80 93.79 120.36 16.90 93.30 121.14 16.35 2 0 13.58 -999 ? CL CL D 208 >TYR^D 163 89.83 126.82 18.00 87.54 126.44 19.61 88.69 126.63 18.81 3 0 12.60 -999 ? CL CL D 208 >LEU^D 164 92.69 126.61 11.69 94.21 125.82 10.36 93.45 126.22 11.03 3 0 11.04 -999 ? CL CL D 208 >LEU^D 165 94.79 131.64 13.59 94.44 133.75 14.13 94.62 132.70 13.86 3 0 6.28 -999 ? CL CL D 208 >GLY^D 166 95.62 132.21 9.07 95.26 132.78 9.59 95.44 132.49 9.33 1 0 9.40 -999 ? CL CL D 208 >VAL^D 167 97.21 135.67 8.77 97.49 136.91 10.56 97.35 136.29 9.67 3 0 9.01 -999 ? CL CL D 208 >GLY^D 168 98.63 137.29 5.62 98.65 137.69 6.36 98.64 137.49 5.99 1 0 12.85 -999 ? CL CL D 208 >TYR^D 169 102.16 138.70 8.16 101.21 138.04 10.71 101.68 138.37 9.44 3 0 10.14 -999 ? CL CL D 208 >PRO~D 170 103.29 143.46 5.09 103.26 141.51 3.97 103.27 142.49 4.53 3 0 16.72 -999 ? CL CL D 208 >SER~D 171 106.99 140.87 5.00 107.41 142.93 6.25 107.20 141.90 5.62 2 0 17.13 -999 ? CL CL D 208 >MET?D 172 108.73 139.03 7.77 110.85 135.47 6.82 109.79 137.25 7.29 2 0 10.27 -999 ? CL CL D 207 >GLU~D 173 109.90 144.82 9.82 110.27 146.65 8.84 110.08 145.73 9.33 2 0 19.62 -999 ? CL CL D 208 >ALA~D 174 105.61 142.74 9.83 104.60 142.86 8.65 105.10 142.80 9.24 2 0 14.43 -999 ? CL CL D 208 >ILE~D 175 105.97 137.90 10.74 105.83 136.59 10.19 105.90 137.24 10.46 3 0 10.48 -999 ? CL CL D 208 >GLU~D 176 110.50 140.87 14.85 112.52 141.43 14.40 111.51 141.15 14.63 2 0 15.88 -999 ? CL CL D 208 >LYS~D 177 106.41 143.46 14.88 110.97 144.74 15.48 108.69 144.10 15.18 2 0 16.70 -999 ? CL CL D 208 >THR~D 178 103.04 141.72 15.16 101.57 140.92 13.77 102.30 141.32 14.47 2 0 9.34 -999 ? CL CL D 208 >TYR~D 179 104.16 136.69 16.49 102.35 134.79 15.50 103.25 135.74 15.99 3 0 -4.99 -999 ? CL CL D 208s >ASP~D 180 107.20 142.78 18.99 109.21 142.22 18.55 108.21 142.50 18.77 2 0 13.58 -999 ? CL CL D 208 >GLU~D 181 101.22 145.11 20.31 100.25 146.75 19.30 100.74 145.93 19.81 2 0 14.31 -999 ? CL CL D 208 >LEU~D 182 100.63 139.23 19.29 98.93 138.04 18.71 99.78 138.64 19.00 3 0 6.25 -999 ? CL CL D 208 >LEU~D 183 104.28 137.86 22.93 105.10 135.97 22.39 104.69 136.91 22.66 3 0 8.37 -999 ? CL CL D 208 >ALA~D 184 102.56 141.23 25.45 103.64 142.32 25.41 103.10 141.77 25.43 2 0 13.14 -999 ? CL CL D 208 >HIS~D 185 96.91 142.36 23.37 94.95 143.06 23.08 95.93 142.71 23.22 3 0 12.24 -999 ? CL CL D 208 >SER~D 186 96.31 140.79 27.83 94.64 142.54 27.80 95.48 141.67 27.82 2 0 15.20 -999 ? CL CL D 208 >SER~D 187 93.85 138.99 25.52 91.89 140.24 24.81 92.87 139.62 25.17 2 0 13.17 -999 ? CL CL D 208 >TYR~D 188 98.83 136.17 23.01 100.47 134.03 22.22 99.65 135.10 22.61 3 0 5.69 -999 ? CL CL D 208 >LYS~D 189 97.85 135.92 27.74 100.96 141.02 29.50 99.40 138.47 28.62 2 0 14.71 -999 ? CL CL D 208 >GLU~D 190 91.86 135.70 29.19 89.97 136.29 28.48 90.91 136.00 28.83 2 0 15.14 -999 ? CL CL D 208 >LEU~D 191 94.14 133.25 23.96 93.33 132.17 22.24 93.73 132.71 23.10 3 0 8.19 -999 ? CL CL D 208 >MET?D 192 96.89 130.90 26.63 98.91 130.82 24.02 97.90 130.86 25.33 2 0 6.79 -999 ? CL CL D 208 >THR~D 193 95.00 129.88 29.75 94.29 131.70 30.66 94.65 130.79 30.21 2 0 14.24 -999 ? CL CL D 208 >PHE~D 194 90.70 129.54 26.91 90.11 131.67 25.22 90.41 130.61 26.07 3 0 12.80 -999 ? CL CL D 208 >ALA~D 195 94.06 127.13 24.33 93.73 128.16 23.29 93.89 127.65 23.81 2 0 9.42 -999 ? CL CL D 208 >VAL^D 197 99.02 126.07 20.25 99.86 127.87 19.28 99.44 126.97 19.76 3 0 6.04 -999 ? CL CL D 208 >ASN^D 198 99.16 121.60 18.87 97.65 121.51 17.35 98.41 121.55 18.11 2 0 11.25 -999 ? CL CL D 208 >MET?D 199 101.58 124.07 15.49 100.47 124.29 11.84 101.02 124.18 13.66 2 0 10.07 -999 ? CL CL D 208 >ARG^D 200 103.63 130.84 15.22 103.38 130.73 18.30 103.51 130.79 16.76 2 0 -4.17 -999 ? CL CL D 208s >ASN^D 201 104.06 126.40 9.67 104.79 124.65 10.69 104.43 125.52 10.18 2 0 11.62 -999 ? CL CL D 208 >ILE^D 202 106.55 131.08 7.74 107.37 132.27 8.19 106.96 131.68 7.97 3 0 9.31 -999 ? CL CL D 207 >ILE^D 203 102.76 129.56 3.64 101.72 128.70 3.23 102.24 129.13 3.43 3 0 9.33 -999 ? CL CL D 207 >LYS^D 204 106.09 131.79 1.38 111.90 133.08 -1.12 109.00 132.43 0.13 2 0 6.50 -999 ? CL CL D 207 >ILE^D 205 102.78 133.92 -1.48 101.53 133.18 -1.63 102.15 133.55 -1.56 3 0 11.29 -999 ? CL CL D 207 >LEU~D 206 105.43 130.21 -5.11 107.11 128.98 -4.46 106.27 129.60 -4.78 3 0 7.90 -999 ? CL CL D 207 >SER~E 2 124.99 78.29 23.46 126.07 76.56 24.84 125.53 77.43 24.15 2 0 28.78 -999 ? CL CL E 207 >ASN~E 3 129.11 80.48 21.80 128.37 80.77 19.78 128.74 80.62 20.79 2 0 23.37 -999 ? CL CL E 207 >ILE~E 4 124.04 83.17 21.50 123.67 82.93 20.57 123.85 83.05 21.03 3 0 21.90 -999 ? CL CL E 207 >ASN^E 5 125.33 85.96 26.37 126.93 84.76 27.01 126.13 85.36 26.69 2 0 22.09 -999 ? CL CL E 207 >TYR^E 6 119.90 85.61 25.49 119.81 83.40 23.86 119.86 84.50 24.68 3 0 22.91 -999 ? CL CL E 207 >VAL^E 7 120.65 91.09 27.20 122.25 92.46 26.72 121.45 91.77 26.96 3 0 17.79 -999 ? CL CL E 207 >ILE^E 8 116.52 91.94 29.69 116.33 91.12 29.86 116.42 91.53 29.78 3 0 22.12 -999 ? CL CL E 207 >LEU^E 9 117.44 96.94 27.05 119.10 96.40 25.73 118.27 96.67 26.39 3 0 16.30 -999 ? CL CL E 207 >THR^E 10 114.14 98.00 30.23 112.95 96.96 31.71 113.54 97.48 30.97 2 0 23.21 -999 ? CL CL E 207 >VAL^E 11 113.19 101.67 29.98 113.86 102.82 28.25 113.52 102.24 29.11 3 0 20.03 -999 ? CL CL E 207 >ALA^E 12 111.00 103.56 32.49 110.97 102.94 33.87 110.99 103.25 33.18 2 0 25.11 -999 ? CL CL E 207 >SER^E 13 109.93 107.13 32.99 107.56 107.37 32.75 108.75 107.25 32.87 2 0 26.97 -999 ? CL CL A 207 >VAL^E 14 110.62 108.10 36.58 111.90 106.68 37.60 111.26 107.39 37.09 3 0 27.53 -999 ? CL CL E 207 >ASP~E 15 108.81 111.28 39.78 106.74 111.35 39.25 107.77 111.32 39.52 2 0 31.17 -999 ? CL CL D 208 >PHE~E 16 114.63 115.08 38.68 117.31 115.75 39.08 115.97 115.41 38.88 3 0 28.59 -999 ? CL CL E 207 >SER~E 17 112.62 113.40 42.77 110.24 113.32 43.24 111.43 113.36 43.01 2 0 33.81 -999 ? CL CL D 208 >TYR~E 18 111.12 107.43 43.30 110.72 104.94 44.52 110.92 106.19 43.91 3 0 33.12 -999 ? CL CL E 207 >ARG~E 19 116.97 110.86 37.93 117.68 111.78 35.10 117.33 111.32 36.52 2 0 23.40 -999 ? CL CL E 207 >GLU~E 20 119.97 109.63 45.44 120.40 110.92 47.08 120.19 110.27 46.26 2 0 32.93 -999 ? CL CL E 207 >THR~E 21 115.89 106.39 45.88 114.18 106.58 47.15 115.04 106.48 46.51 2 0 34.43 -999 ? CL CL E 207 >MET?E 22 115.26 104.38 42.74 113.03 103.25 40.49 114.14 103.81 41.61 2 0 29.03 -999 ? CL CL E 207 >ALA~E 23 119.04 103.88 42.31 120.03 105.04 42.24 119.53 104.46 42.27 2 0 27.63 -999 ? CL CL E 207 >LEU~E 25 115.03 100.59 45.39 113.52 100.98 46.91 114.27 100.78 46.15 3 0 33.52 -999 ? CL CL E 207 >MET?E 26 117.86 99.04 42.17 115.61 98.73 39.81 116.74 98.89 40.99 2 0 27.60 -999 ? CL CL E 207 >SER~E 27 121.30 98.01 43.44 122.03 99.64 45.05 121.66 98.82 44.25 2 0 30.09 -999 ? CL CL E 207 >SER~E 28 119.49 95.95 46.10 117.66 95.32 47.59 118.57 95.63 46.84 2 0 34.50 -999 ? CL CL E 207 >TYR~E 29 115.57 94.23 41.59 114.28 92.64 39.73 114.92 93.43 40.66 3 0 30.05 -999 ? CL CL E 207 >SER~E 30 120.56 93.75 41.31 121.14 95.65 39.93 120.85 94.70 40.62 2 0 26.37 -999 ? CL CL E 207 >ASP~E 32 117.67 90.19 44.55 116.23 88.71 45.15 116.95 89.45 44.85 2 0 35.09 -999 ? CL CL E 207 >LEU~E 33 119.11 89.95 39.37 117.23 90.65 38.55 118.17 90.30 38.96 3 0 28.61 -999 ? CL CL E 207 >ILE~E 34 124.20 89.29 40.78 125.46 89.98 40.35 124.83 89.63 40.56 3 0 28.63 -999 ? CL CL E 207 >ASP~E 35 122.79 86.47 44.99 124.30 87.90 45.56 123.54 87.19 45.28 2 0 33.87 -999 ? CL CL E 207 >ASN~E 36 118.43 84.54 43.75 118.94 85.23 45.67 118.68 84.89 44.71 2 0 36.33 -999 ? CL CL E 207 >ALA~E 37 118.75 84.50 39.22 118.03 85.73 38.69 118.39 85.12 38.95 2 0 30.89 -999 ? CL CL E 207 >GLY~E 38 122.29 83.88 37.93 121.91 84.58 37.84 122.10 84.23 37.88 1 0 30.32 -999 ? CL CL E 207 >ALA~E 39 122.53 87.27 36.25 121.79 88.54 36.63 122.16 87.91 36.44 2 0 26.57 -999 ? CL CL E 207 >LYS~E 40 126.04 87.89 35.00 127.06 82.48 33.91 126.55 85.18 34.45 2 0 27.91 -999 ? CL CL E 207 >GLY~E 41 125.91 91.62 35.85 125.19 91.27 35.66 125.55 91.45 35.76 1 0 23.47 -999 ? CL CL E 207 >THR^E 42 123.49 94.54 35.59 122.22 94.33 37.33 122.85 94.43 36.46 2 0 24.21 -999 ? CL CL E 207 >ARG^E 43 126.76 98.34 32.42 129.10 96.98 33.89 127.93 97.66 33.15 2 0 19.18 -999 ? CL CL E 207 >PHE^E 44 119.77 101.84 37.47 117.51 103.46 38.05 118.64 102.65 37.76 3 0 23.96 -999 ? CL CL E 207 >GLY^E 45 121.55 104.58 34.34 120.77 104.30 34.24 121.16 104.44 34.29 1 0 19.67 -999 ? CL CL E 207 >SER^E 46 119.69 107.52 32.88 120.84 109.55 33.32 120.26 108.54 33.10 2 0 19.83 -999 ? CL CL E 207 >ILE^E 47 118.12 107.51 28.31 117.46 106.62 27.34 117.79 107.07 27.82 3 0 16.34 -999 ? CL CL E 207 >GLY~E 48 121.19 111.29 28.48 120.80 110.95 27.89 120.99 111.12 28.19 1 0 16.32 -999 ? CL CL E 207 >THR~E 49 120.19 111.93 24.83 122.15 111.58 23.95 121.17 111.76 24.39 2 0 12.84 -999 ? CL CL E 207 >GLY~E 50 117.53 111.45 22.16 117.38 111.85 22.88 117.46 111.65 22.52 1 0 14.77 -999 ? CL CL E 207 >ASP~E 51 112.83 110.69 21.50 113.20 111.32 19.49 113.02 111.01 20.49 2 0 17.45 -999 ? CL CL E 207 >HIS~E 52 113.38 107.04 24.72 112.10 106.01 23.42 112.74 106.53 24.07 3 0 17.98 -999 ? CL CL E 207 >ALA~E 53 116.30 111.80 27.45 116.63 113.20 26.96 116.46 112.50 27.21 2 0 18.73 -999 ? CL CL E 207 >GLY~E 54 115.54 111.55 31.16 115.48 110.90 30.73 115.51 111.23 30.94 1 0 21.44 -999 ? CL CL E 207 >SER~E 55 114.14 108.07 31.15 112.45 107.78 29.39 113.29 107.92 30.27 2 0 21.34 -999 ? CL CL E 207 >LEU^E 56 115.75 105.31 34.77 116.02 106.89 36.26 115.88 106.10 35.51 3 0 23.40 -999 ? CL CL E 207 >ILE^E 57 118.09 102.46 30.45 119.06 102.20 29.49 118.57 102.33 29.97 3 0 17.26 -999 ? CL CL E 207 >PHE^E 58 117.65 97.29 35.22 118.68 95.48 37.06 118.17 96.38 36.14 3 0 23.87 -999 ? CL CL E 207 >ILE^E 59 121.50 96.87 30.73 122.13 97.38 29.52 121.81 97.12 30.12 3 0 17.04 -999 ? CL CL E 207 >GLN^E 60 118.40 92.75 34.00 116.39 92.02 34.08 117.40 92.39 34.04 2 0 24.80 -999 ? CL CL E 207 >PHE^E 61 124.83 91.85 30.94 125.46 94.46 30.15 125.14 93.15 30.54 3 0 18.37 -999 ? CL CL E 207 >TYR^E 62 119.98 86.67 32.28 118.72 88.09 34.32 119.35 87.38 33.30 3 0 25.60 -999 ? CL CL E 207 >ASP~E 63 124.90 82.35 30.39 126.83 83.11 30.75 125.87 82.73 30.57 2 0 25.50 -999 ? CL CL E 207 >ASP~E 64 120.68 80.29 29.56 122.17 79.05 28.69 121.43 79.67 29.13 2 0 28.57 -999 ? CL CL E 207 >LEU~E 65 116.04 82.52 27.64 115.87 84.05 26.10 115.95 83.29 26.87 3 0 26.45 -999 ? CL CL E 207 >THR~E 66 116.39 80.32 31.81 116.67 78.24 32.01 116.53 79.28 31.91 2 0 32.46 -999 ? CL CL E 207 >GLY~E 67 118.33 82.94 33.72 117.58 82.92 33.34 117.95 82.93 33.53 1 0 29.25 -999 ? CL CL E 207 >TYR~E 68 114.50 87.32 31.33 112.55 89.33 31.31 113.53 88.33 31.32 3 0 26.49 -999 ? CL CL E 207 >GLN~E 69 111.27 81.23 33.43 110.74 79.49 32.32 111.00 80.36 32.87 2 0 27.63 -999 ? CL CL A 207 >ALA~E 71 114.64 86.57 37.24 115.28 87.43 36.17 114.96 87.00 36.71 2 0 29.21 -999 ? CL CL E 207 >LEU~E 72 110.15 86.21 35.35 109.83 87.10 33.38 109.99 86.66 34.37 3 0 25.37 -999 ? CL CL A 207 >ILE~E 74 113.97 87.11 41.55 114.40 86.36 42.49 114.18 86.74 42.02 3 0 32.66 -999 ? CL CL A 207 >GLN~E 75 110.85 90.91 38.56 110.04 91.54 36.70 110.45 91.22 37.63 2 0 25.96 -999 ? CL CL A 207 >SER~E 76 107.08 88.36 42.00 107.47 86.04 41.51 107.28 87.20 41.75 2 0 27.22 -999 ? CL CL A 207 >LYS~E 77 108.74 87.68 45.40 110.21 82.00 46.12 109.47 84.84 45.76 2 0 33.23 -999 ? CL CL A 207 >SER~E 78 110.77 90.93 45.74 112.85 92.14 45.26 111.81 91.53 45.50 2 0 33.15 -999 ? CL CL A 207 >SER~E 79 109.66 93.63 48.19 110.17 92.38 50.21 109.92 93.00 49.20 2 0 34.71 -999 ? CL CL A 207 >VAL~E 80 112.11 96.06 46.58 114.31 96.09 46.50 113.21 96.08 46.54 3 0 34.53 -999 ? CL CL A 207 >PHE~E 81 109.61 94.33 41.14 108.21 94.48 38.73 108.91 94.41 39.93 3 0 26.89 -999 ? CL CL A 207 >LYS~E 82 106.89 95.77 44.82 102.77 94.74 48.22 104.83 95.25 46.52 2 0 28.83 -999 ? CL CL A 207 >GLU~E 83 109.08 100.63 48.07 110.73 100.77 49.38 109.90 100.70 48.72 2 0 35.63 -999 ? CL CL A 207 >ILE~E 84 110.09 100.10 42.28 111.36 100.19 41.66 110.73 100.14 41.97 3 0 30.62 -999 ? CL CL A 207 >MET?E 85 105.67 99.54 41.47 106.57 98.00 38.67 106.12 98.77 40.07 2 0 24.93 -999 ? CL CL A 207 >ASP~E 86 103.62 100.00 45.82 102.81 98.03 45.88 103.21 99.02 45.85 2 0 27.48 -999 ? CL CL A 207 >SER~E 87 105.24 104.09 44.44 107.14 104.32 42.89 106.19 104.20 43.67 2 0 30.08 -999 ? CL CL A 207 >GLY~E 88 103.39 105.25 41.31 104.20 105.36 41.53 103.80 105.30 41.42 1 0 27.16 -999 ? CL CL A 207 >LYS~E 89 106.69 107.02 40.57 106.42 110.85 44.39 106.55 108.94 42.48 2 0 33.80 -999 ? CL CL A 207 >ALA^E 90 108.09 104.57 37.99 109.03 103.53 38.55 108.56 104.05 38.27 2 0 28.61 -999 ? CL CL A 207 >ASN^E 91 105.56 104.61 34.10 104.45 103.87 32.46 105.00 104.24 33.28 2 0 22.57 -999 ? CL CL A 207 >ILE^E 92 108.13 99.34 32.95 108.91 98.05 33.10 108.52 98.69 33.02 3 0 24.00 -999 ? CL CL A 207 >TYR^E 93 108.08 103.93 28.36 110.30 105.48 27.74 109.19 104.70 28.05 3 0 22.85 -999 ? CL CL E 207 >LEU^E 94 110.36 100.49 26.08 111.15 100.22 24.05 110.75 100.36 25.07 3 0 20.30 -999 ? CL CL E 207 >ARG^E 95 111.50 93.22 29.95 109.28 93.84 31.96 110.39 93.53 30.96 2 0 23.38 -999 ? CL CL A 207 >ASN^E 96 113.46 94.92 23.53 111.62 95.46 22.59 112.54 95.19 23.06 2 0 20.03 -999 ? CL CL E 207 >ILE^E 97 115.16 89.87 24.78 114.83 88.68 25.51 114.99 89.28 25.15 3 0 21.91 -999 ? CL CL E 207 >SER^E 98 118.93 91.15 22.53 120.43 92.54 21.22 119.68 91.85 21.88 2 0 14.87 -999 ? CL CL E 207 >THR^E 99 121.40 88.41 21.63 121.08 87.73 19.60 121.24 88.07 20.61 2 0 18.12 -999 ? CL CL E 207 >SER^E 100 125.00 88.99 22.67 126.46 89.88 24.41 125.73 89.43 23.54 2 0 16.43 -999 ? CL CL E 207 >LEU~E 101 127.20 87.73 18.69 125.45 87.12 17.56 126.33 87.42 18.12 3 0 16.70 -999 ? CL CL E 207 >PRO~E 102 130.26 84.28 20.58 130.37 86.50 20.56 130.32 85.39 20.57 3 0 19.08 -999 ? CL CL E 207 >THR~E 103 133.45 89.36 19.73 132.38 90.97 20.72 132.92 90.17 20.23 2 0 14.22 -999 ? CL CL E 207 >LYS~E 104 137.26 89.55 19.49 139.26 86.70 14.12 138.26 88.12 16.80 2 0 20.27 -999 ? CL CL E 207 >PHE~E 105 136.24 94.45 22.89 136.49 96.83 24.33 136.36 95.64 23.61 3 0 13.63 -999 ? CL CL E 207 >GLU~E 106 141.49 92.17 26.66 143.59 92.41 26.53 142.54 92.29 26.60 2 0 21.61 -999 ? CL CL E 207 >GLN~E 107 134.63 91.51 27.25 133.29 92.94 26.43 133.96 92.22 26.84 2 0 15.81 -999 ? CL CL E 207 >SER~E 108 137.44 94.99 31.18 138.24 96.94 32.39 137.84 95.97 31.79 2 0 20.25 -999 ? CL CL E 207 >TYR~E 109 136.36 92.13 35.29 135.96 89.54 34.38 136.16 90.84 34.83 3 0 24.12 -999 ? CL CL E 207 >GLU~E 110 136.79 100.76 34.93 138.00 102.08 33.76 137.40 101.42 34.35 2 0 20.20 -999 ? CL CL E 207 >HIS~E 111 132.02 99.13 38.72 131.64 97.49 39.97 131.83 98.31 39.35 3 0 24.22 -999 ? CL CL E 207 >PRO~E 112 130.12 100.50 32.67 131.76 101.51 33.80 130.94 101.00 33.24 3 0 17.64 -999 ? CL CL E 207 >LYS~E 113 130.62 105.69 33.76 130.54 110.70 36.31 130.58 108.19 35.03 2 0 21.54 -999 ? CL CL E 207 >TYR^E 114 129.33 108.49 30.16 129.71 110.95 31.46 129.52 109.72 30.81 3 0 15.98 -999 ? CL CL E 207 >ILE^E 115 126.45 102.42 28.24 126.02 101.12 28.54 126.24 101.77 28.39 3 0 12.79 -999 ? CL CL E 207 >VAL^E 116 126.85 104.31 24.17 127.91 105.70 22.88 127.38 105.00 23.53 3 0 7.73 -999 ? CL CL E 207 >LEU^E 117 122.74 102.06 23.08 122.03 100.57 24.45 122.38 101.32 23.76 3 0 10.25 -999 ? CL CL E 207 >THR^E 118 124.04 102.20 18.72 125.72 102.95 17.64 124.88 102.58 18.18 2 0 -3.41 -999 ? CL CL E 207s >ARG^E 119 117.57 99.77 17.45 115.46 102.01 17.66 116.51 100.89 17.56 2 0 13.35 -999 ? CL CL E 207 >ALA^E 120 121.44 99.78 12.99 122.89 99.68 12.52 122.17 99.73 12.76 2 0 7.85 -999 ? CL CL E 207 >GLU^E 121 117.07 98.79 9.22 115.84 100.46 8.76 116.45 99.63 8.99 2 0 15.02 -999 ? CL CL E 207 >ALA~E 122 121.02 95.64 7.94 122.44 95.50 8.41 121.73 95.57 8.18 2 0 12.82 -999 ? CL CL E 207 >ALA~E 123 120.29 92.40 6.10 120.82 92.05 4.72 120.55 92.23 5.41 2 0 18.05 -999 ? CL CL E 207 >MET?E 124 120.48 89.23 8.25 119.37 89.32 11.63 119.92 89.28 9.94 2 0 17.73 -999 ? CL CL E 207 >SER~E 125 122.56 87.87 5.32 121.75 89.04 3.35 122.15 88.45 4.34 2 0 20.61 -999 ? CL CL E 207 >ASP~E 126 125.02 92.01 5.86 124.95 92.40 3.78 124.99 92.21 4.82 2 0 17.11 -999 ? CL CL E 207 >ASP~E 128 129.41 86.74 8.42 128.27 85.04 8.96 128.84 85.89 8.69 2 0 20.06 -999 ? CL CL E 207 >LYS~E 129 130.39 90.96 7.31 128.49 93.23 2.74 129.44 92.10 5.03 2 0 16.96 -999 ? CL CL E 207 >PHE~E 130 126.95 94.14 11.14 125.90 96.60 11.88 126.42 95.37 11.51 3 0 9.81 -999 ? CL CL E 207 >LEU~E 131 130.47 89.42 13.22 130.82 88.42 15.12 130.64 88.92 14.17 3 0 15.16 -999 ? CL CL E 207 >ASN~E 132 134.27 90.49 9.64 133.96 88.37 9.57 134.11 89.43 9.61 2 0 17.58 -999 ? CL CL E 207 >CYH~E 133 133.84 94.94 10.90 132.35 95.63 8.71 133.09 95.28 9.81 2 0 11.60 -999 ? CL CL E 207 >ILE~E 134 132.01 94.29 15.36 131.48 95.37 16.02 131.75 94.83 15.69 3 0 9.54 -999 ? CL CL E 207 >ASN~E 135 136.35 91.23 14.74 135.03 89.94 15.82 135.69 90.59 15.28 2 0 15.31 -999 ? CL CL E 207 >ASP~E 136 138.26 94.93 11.22 138.60 93.16 10.07 138.43 94.05 10.64 2 0 15.79 -999 ? CL CL E 207 >THR~E 137 137.72 97.93 14.65 135.91 98.52 13.73 136.81 98.23 14.19 2 0 9.33 -999 ? CL CL E 207 >ALA~E 138 137.96 96.37 18.13 138.04 94.91 18.46 138.00 95.64 18.30 2 0 13.24 -999 ? CL CL E 207 >SER~E 139 141.33 98.13 18.59 142.23 97.73 16.37 141.78 97.93 17.48 2 0 14.96 -999 ? CL CL E 207 >CYH~E 140 139.81 101.60 17.89 139.31 101.71 15.13 139.56 101.66 16.51 2 0 10.98 -999 ? CL CL E 207 >PHE~E 141 135.38 100.44 20.16 133.24 100.96 18.42 134.31 100.70 19.29 3 0 7.32 -999 ? CL CL E 207 >LYS~E 142 140.23 99.49 23.27 139.77 96.60 27.59 140.00 98.04 25.43 2 0 17.68 -999 ? CL CL E 207 >ASP~E 143 143.77 101.91 20.98 144.81 100.10 20.38 144.29 101.00 20.68 2 0 17.23 -999 ? CL CL E 207 >ASN~E 144 140.21 105.51 21.85 141.49 105.84 20.15 140.85 105.68 21.00 2 0 13.72 -999 ? CL CL E 207 >GLY~E 145 139.65 103.83 26.40 139.28 103.45 25.84 139.47 103.64 26.12 1 0 15.20 -999 ? CL CL E 207 >ALA~E 146 136.59 101.63 25.76 136.09 101.17 24.43 136.34 101.40 25.09 2 0 11.61 -999 ? CL CL E 207 >LEU~E 147 135.22 99.72 29.85 135.92 101.34 31.11 135.57 100.53 30.48 3 0 16.43 -999 ? CL CL E 207 >THR^E 148 133.38 96.73 27.32 132.19 96.86 29.09 132.79 96.79 28.21 2 0 15.28 -999 ? CL CL E 207 >LEU^E 149 132.77 95.99 22.84 132.33 96.13 20.77 132.55 96.06 21.81 3 0 10.49 -999 ? CL CL E 207 >ARG^E 150 128.43 92.07 26.38 130.94 90.77 27.72 129.69 91.42 27.05 2 0 17.71 -999 ? CL CL E 207 >PHE^E 151 127.85 93.06 17.60 127.19 92.68 14.96 127.52 92.87 16.28 3 0 11.01 -999 ? CL CL E 207 >GLY^E 152 123.99 91.39 18.68 123.88 92.17 18.47 123.93 91.78 18.58 1 0 13.53 -999 ? CL CL E 207 >ASN^E 153 120.10 90.75 16.17 121.50 90.93 14.59 120.80 90.84 15.38 2 0 14.78 -999 ? CL CL E 207 >LEU~E 154 116.47 94.00 18.78 116.62 95.96 19.83 116.55 94.98 19.31 3 0 15.30 -999 ? CL CL E 207 >LEU~E 155 115.32 88.39 20.35 116.59 86.66 20.08 115.96 87.52 20.21 3 0 21.05 -999 ? CL CL E 207 >THR~E 156 111.94 91.38 20.34 111.88 90.77 22.45 111.91 91.08 21.39 2 0 22.15 -999 ? CL CL E 207 >GLY~E 157 110.14 94.67 19.81 110.16 94.22 19.15 110.15 94.45 19.48 1 0 20.93 -999 ? CL CL E 207 >SER~E 158 109.23 97.08 17.09 107.34 98.10 18.25 108.28 97.59 17.67 2 0 21.72 -999 ? CL CL A 207 >ASN~E 159 113.87 98.21 16.60 113.19 100.23 16.35 113.53 99.22 16.47 2 0 15.81 -999 ? CL CL E 207 >VAL~E 160 113.23 93.35 15.96 111.84 91.74 15.38 112.53 92.54 15.67 3 0 19.62 -999 ? CL CL E 207 >GLY~E 161 116.14 92.34 13.73 116.23 92.96 14.27 116.19 92.65 14.00 1 0 17.08 -999 ? CL CL E 207 >ASN~E 162 117.69 96.93 14.82 116.45 98.06 13.54 117.07 97.50 14.18 2 0 13.65 -999 ? CL CL E 207 >TYR^E 163 122.99 94.12 13.18 123.11 92.08 11.31 123.05 93.10 12.24 3 0 12.64 -999 ? CL CL E 207 >LEU^E 164 121.57 96.25 19.61 120.63 97.62 21.01 121.10 96.94 20.31 3 0 11.05 -999 ? CL CL E 207 >LEU^E 165 126.97 98.37 18.87 129.15 98.09 18.75 128.06 98.23 18.81 3 0 6.29 -999 ? CL CL E 207 >GLY^E 166 126.70 98.59 23.49 127.36 98.28 23.03 127.03 98.43 23.26 1 0 9.34 -999 ? CL CL E 207 >VAL^E 167 130.09 100.04 24.47 131.45 100.57 22.83 130.77 100.31 23.65 3 0 8.71 -999 ? CL CL E 207 >GLY^E 168 131.19 101.03 27.97 131.70 101.13 27.30 131.44 101.08 27.64 1 0 12.58 -999 ? CL CL E 207 >TYR^E 169 132.98 104.85 26.18 132.84 104.17 23.47 132.91 104.51 24.83 3 0 9.87 -999 ? CL CL E 207 >PRO~E 170 137.08 105.75 30.30 134.95 105.40 30.97 136.02 105.58 30.64 3 0 16.53 -999 ? CL CL E 207 >SER~E 171 134.55 109.20 30.44 136.57 110.06 29.47 135.56 109.63 29.96 2 0 16.87 -999 ? CL CL E 207 >MET?E 172 133.36 111.39 27.64 130.13 113.07 27.53 131.75 112.23 27.58 2 0 14.87 -999 ? CL CL E 207 >GLU~E 173 139.37 112.71 26.42 141.15 112.54 27.60 140.26 112.62 27.01 2 0 19.21 -999 ? CL CL E 207 >ALA~E 174 137.26 108.35 25.70 137.18 107.22 26.69 137.22 107.78 26.19 2 0 14.15 -999 ? CL CL E 207 >ILE~E 175 132.60 108.94 24.04 131.20 108.80 24.28 131.90 108.87 24.16 3 0 10.17 -999 ? CL CL E 207 >GLU~E 176 136.13 113.90 21.18 136.29 115.89 21.96 136.21 114.90 21.57 2 0 15.52 -999 ? CL CL E 207 >LYS~E 177 138.73 109.92 21.05 139.78 114.20 20.69 139.25 112.06 20.87 2 0 15.98 -999 ? CL CL E 207 >THR~E 178 137.11 106.57 20.07 136.11 104.84 20.89 136.61 105.70 20.48 2 0 9.05 -999 ? CL CL E 207 >TYR~E 179 132.44 107.98 18.13 130.46 106.14 18.83 131.45 107.06 18.48 3 0 -4.99 -999 ? CL CL E 207s >ASP~E 180 138.75 111.31 16.95 138.13 113.32 17.44 138.44 112.31 17.20 2 0 13.55 -999 ? CL CL E 207 >GLU~E 181 140.86 105.15 15.40 142.57 104.35 16.36 141.71 104.75 15.88 2 0 14.01 -999 ? CL CL E 207 >LEU~E 182 135.26 104.85 15.19 134.24 103.00 15.75 134.75 103.93 15.47 3 0 6.20 -999 ? CL CL E 207 >LEU~E 183 134.38 109.01 12.12 132.74 109.90 13.33 133.56 109.46 12.72 3 0 8.20 -999 ? CL CL E 207 >ALA~E 184 138.19 107.60 9.89 139.18 108.74 10.16 138.68 108.17 10.02 2 0 13.05 -999 ? CL CL E 207 >HIS~E 185 139.29 101.64 10.99 140.13 99.72 10.92 139.71 100.68 10.95 3 0 12.62 -999 ? CL CL E 207 >SER~E 186 138.30 101.72 6.49 140.31 100.28 6.59 139.30 101.00 6.54 2 0 15.44 -999 ? CL CL E 207 >SER~E 187 136.18 98.97 8.12 137.76 97.33 8.95 136.98 98.15 8.54 2 0 13.27 -999 ? CL CL E 207 >TYR~E 188 133.02 103.70 10.78 130.83 105.33 11.38 131.93 104.52 11.08 3 0 5.98 -999 ? CL CL E 207 >GLU~E 190 133.23 97.64 3.41 134.34 95.85 3.31 133.79 96.75 3.36 2 0 16.05 -999 ? CL CL E 207 >LEU~E 191 130.35 99.16 8.88 129.29 97.89 10.34 129.82 98.53 9.61 3 0 8.39 -999 ? CL CL E 207 >MET?E 192 128.25 102.21 6.25 127.73 103.60 9.18 127.99 102.90 7.71 2 0 6.87 -999 ? CL CL E 207 >THR~E 193 127.80 100.79 2.75 129.71 100.06 2.14 128.76 100.43 2.44 2 0 14.40 -999 ? CL CL E 207 >PHE~E 194 127.09 96.17 4.75 129.06 95.24 6.52 128.08 95.70 5.64 3 0 13.17 -999 ? CL CL E 207 >ALA~E 195 124.28 99.23 7.51 125.15 98.78 8.68 124.71 99.00 8.10 2 0 9.52 -999 ? CL CL E 207 >VAL^E 197 122.52 103.60 11.97 124.13 104.34 13.25 123.33 103.97 12.61 3 0 6.24 -999 ? CL CL E 207 >ASN^E 198 117.77 103.72 12.74 117.64 101.85 13.80 117.71 102.78 13.27 2 0 11.32 -999 ? CL CL E 207 >MET?E 199 119.84 105.52 16.68 119.63 103.96 20.15 119.74 104.74 18.42 2 0 9.87 -999 ? CL CL E 207 >ARG^E 200 126.52 107.51 18.18 127.01 107.53 15.14 126.76 107.52 16.66 2 0 -4.11 -999 ? CL CL E 207s >ASN^E 201 121.00 107.25 22.92 119.59 108.34 21.72 120.30 107.79 22.32 2 0 11.57 -999 ? CL CL E 207 >ILE^E 202 125.39 109.19 25.85 126.64 109.97 25.80 126.01 109.58 25.82 3 0 11.68 -999 ? CL CL E 207 >ILE^E 203 123.21 104.93 29.19 122.40 103.83 29.26 122.80 104.38 29.23 3 0 14.45 -999 ? CL CL E 207 >ILE^E 205 126.74 104.17 35.10 126.09 103.00 34.84 126.41 103.59 34.97 3 0 19.10 -999 ? CL CL E 207 >LEU~E 206 122.24 106.12 38.19 121.05 107.85 37.67 121.64 106.99 37.93 3 0 23.23 -999 ? CL CL E 207