REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 02-MAR-06 2G8L COMPND 287AA LONG HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 53953; SOURCE 4 GENE: 3258004; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 11 8 HET MSE A 21 8 HET MSE A 26 8 HET MSE A 33 8 HET MSE A 81 8 HET MSE A 128 8 HET MSE A 228 8 HET MSE A 281 8 HET MSE B 11 8 HET MSE B 21 8 HET MSE B 26 8 HET MSE B 33 8 HET MSE B 81 8 HET MSE B 128 8 HET MSE B 228 8 HET MSE B 281 8 HET UNL B 288 8 HET UNL A 288 8 HET EDO B 289 4 HET EDO B 290 4 HET EDO A 289 4 HET EDO A 290 4 HET EDO A 291 4 SITE 1 AC1 8 ASP B 156 ASN B 157 ASN B 190 ASP B 191 SITE 1 AC2 9 ASN A 108 ASP A 156 ASN A 157 GLN A 242 SITE 1 AC3 6 ASP A 68 HOH A 329 ARG B 31 LEU B 35 SITE 1 AC4 4 ASP B 96 GLU B 98 LEU B 99 PRO B 118 SITE 1 AC5 3 LYS A 42 GLU A 43 GLU A 60 SITE 1 AC6 2 ASP A 25 HOH A 325 SITE 1 AC7 4 LEU A 59 LYS A 63 ASP A 68 HOH A 338 >MET?A 1 31.68 65.15 48.63 29.79 62.83 45.52 30.73 63.99 47.07 2 0 11.30 -999 ? O8 UNL A 288 >LYS.A 2 35.10 63.31 48.65 40.07 63.86 50.62 37.58 63.58 49.64 2 0 9.32 -999 ? O1 EDO B 289 >VAL.A 3 36.55 62.90 45.13 38.28 63.64 44.00 37.42 63.27 44.56 3 0 11.37 -999 ? O2 EDO B 289 >GLN.A 4 34.42 58.73 44.69 34.89 57.75 46.52 34.66 58.24 45.60 2 0 14.31 -999 ? O2 EDO B 289 >TYR.A 5 39.70 55.13 41.89 38.42 52.99 40.76 39.06 54.06 41.32 3 0 13.14 -999 ? O2 EDO B 289 >GLU~A 6 35.26 56.37 39.23 35.09 55.32 41.05 35.17 55.84 40.14 2 0 14.85 -999 ? O3 UNL A 288 >CYH~A 7 36.93 60.86 38.54 35.01 61.12 40.56 35.97 60.99 39.55 2 0 11.76 -999 ? O3 UNL A 288 >LEU~A 8 41.61 61.30 37.28 43.50 62.22 36.63 42.55 61.76 36.95 3 0 10.87 -999 ? O2 EDO B 289 >THR~A 9 39.42 59.64 33.72 39.67 57.55 34.11 39.54 58.60 33.91 2 0 15.46 -999 ? O2 EDO B 289 >CYH~A 10 35.81 60.92 33.70 34.23 59.30 35.17 35.02 60.11 34.44 2 0 10.25 -999 ? O3 UNL A 288 >MET?A 11 37.04 64.48 33.64 37.68 66.33 37.48 37.36 65.40 35.56 2 0 10.16 -999 ? O2 EDO A 289 >ALA~A 12 39.76 63.72 31.12 40.91 62.76 31.29 40.33 63.24 31.20 2 0 14.07 -999 ? O2 EDO A 289 >ASN~A 13 36.38 60.85 29.25 37.43 58.99 29.44 36.91 59.92 29.35 2 0 13.58 -999 ? O6 UNL A 288 >GLN~A 14 33.30 66.74 30.01 31.65 66.30 28.74 32.47 66.52 29.38 2 0 6.81 -999 ? O6 UNL A 288 >CYH~A 15 37.87 67.32 28.17 39.27 68.17 30.46 38.57 67.74 29.32 2 0 9.89 -999 ? O2 EDO A 289 >GLN~A 16 39.48 63.29 23.74 40.24 61.32 23.64 39.86 62.30 23.69 2 0 16.41 -999 ? C2 EDO A 290 >ARG~A 17 32.36 62.50 25.26 32.47 62.22 28.36 32.41 62.36 26.81 2 0 8.43 -999 ? O6 UNL A 288 >ILE~A 18 35.32 69.88 25.53 35.00 70.79 26.54 35.16 70.33 26.04 3 0 10.63 -999 ? O1 EDO A 291 >VAL~A 19 38.14 69.41 22.15 40.28 69.36 22.72 39.21 69.39 22.44 3 0 12.06 -999 ? O1 EDO A 290 >GLU~A 20 37.54 64.61 19.98 37.07 62.66 20.73 37.30 63.63 20.36 2 0 13.85 -999 ? C2 EDO A 290 >MET?A 21 33.40 68.85 19.29 30.64 69.38 22.30 32.02 69.12 20.79 2 0 11.83 -999 ? O6 UNL A 288 >ALA~A 22 35.14 72.21 19.02 35.92 72.81 20.16 35.53 72.51 19.59 2 0 10.54 -999 ? O1 EDO A 290 >THR~A 23 37.59 71.52 16.23 39.67 72.10 16.57 38.63 71.81 16.40 2 0 5.82 -999 ? O1 EDO A 290 >GLN.A 24 36.73 68.45 12.35 36.26 66.50 13.11 36.49 67.48 12.73 2 0 6.97 -999 ? C2 EDO A 290 >ASP~A 25 42.63 72.03 13.92 44.66 72.60 13.58 43.64 72.31 13.75 2 0 -4.55 -999 ? O2 EDO A 290s >MET?A 26 44.64 67.91 15.28 43.20 64.79 15.20 43.92 66.35 15.24 2 0 7.67 -999 ? O2 EDO A 290 >ILE~A 28 43.57 73.32 17.67 42.84 74.51 17.35 43.20 73.91 17.51 3 0 7.14 -999 ? O1 EDO A 290 >ARG~A 29 41.05 66.95 17.83 38.68 65.61 16.42 39.87 66.28 17.13 2 0 8.38 -999 ? C2 EDO A 290 >ARG~A 30 50.53 67.75 20.03 50.82 69.73 17.66 50.68 68.74 18.84 2 0 11.19 -999 ? O2 EDO A 290 >ARG~A 31 49.55 74.19 20.12 47.60 76.55 19.80 48.57 75.37 19.96 2 0 11.85 -999 ? O1 EDO A 290 >ALA~A 32 44.19 71.83 24.23 42.84 71.77 23.52 43.51 71.80 23.87 2 0 12.78 -999 ? O1 EDO A 290 >MET?A 33 44.78 68.41 25.83 41.85 66.90 25.62 43.31 67.66 25.73 2 0 14.06 -999 ? O2 EDO A 289 >ILE~A 34 49.46 70.01 26.07 50.74 69.90 25.51 50.10 69.95 25.79 3 0 15.18 -999 ? O2 EDO A 289 >LEU~A 35 45.77 73.56 28.10 45.10 75.32 29.10 45.44 74.44 28.60 3 0 9.10 -999 ? O2 EDO A 289 >ALA~A 36 43.88 69.98 30.08 43.09 69.00 29.21 43.49 69.49 29.64 2 0 10.17 -999 ? O2 EDO A 289 >ALA~A 37 46.58 67.86 31.68 47.77 67.29 30.95 47.18 67.58 31.32 2 0 12.21 -999 ? O2 EDO A 289 >LYS~A 38 47.94 70.88 33.57 51.62 71.45 29.98 49.78 71.16 31.78 2 0 13.17 -999 ? O2 EDO A 289 >LEU~A 39 43.34 72.35 33.69 43.14 74.33 32.77 43.24 73.34 33.23 3 0 4.64 -999 ? O2 EDO A 289 >LEU~A 40 43.72 67.11 34.96 42.04 66.16 33.89 42.88 66.63 34.42 3 0 9.63 -999 ? O2 EDO A 289 >ALA~A 41 46.77 68.34 37.99 48.20 68.47 37.52 47.49 68.41 37.75 2 0 10.37 -999 ? O2 EDO A 289 >LYS~A 42 45.67 71.71 39.39 44.05 77.79 38.56 44.86 74.75 38.98 2 0 -3.01 -999 ? C2 EDO A 289s >GLU~A 43 41.12 72.60 38.57 40.75 74.09 40.02 40.93 73.35 39.29 2 0 -4.01 -999 ? O2 EDO A 289s >TYR~A 44 41.85 64.60 40.17 41.11 62.07 41.07 41.48 63.33 40.62 3 0 9.05 -999 ? O2 EDO B 289 >ASN.A 45 43.88 68.40 44.65 42.66 70.07 44.85 43.27 69.24 44.75 2 0 10.26 -999 ? O2 EDO B 289 >GLU.A 46 43.93 64.92 48.99 43.31 62.89 49.12 43.62 63.90 49.05 2 0 5.75 -999 ? O1 EDO B 289 >ASN.A 47 40.18 70.54 48.29 41.34 70.71 50.06 40.76 70.62 49.18 2 0 12.10 -999 ? O1 EDO B 289 >ALA.A 48 37.96 68.66 44.66 38.57 67.98 43.46 38.27 68.32 44.06 2 0 10.84 -999 ? O2 EDO A 289 >ILE~A 49 33.17 69.24 44.73 32.02 69.44 45.60 32.60 69.34 45.17 3 0 11.91 -999 ? O8 UNL A 288 >PRO~A 50 33.77 64.71 41.79 33.98 66.93 41.39 33.87 65.82 41.59 3 0 10.71 -999 ? O8 UNL A 288 >ALA~A 51 31.16 69.00 39.41 29.80 69.19 40.10 30.48 69.10 39.76 2 0 6.57 -999 ? O8 UNL A 288 >ILE~A 52 33.25 72.68 41.83 32.88 73.58 42.97 33.06 73.13 42.40 3 0 10.20 -999 ? O1 EDO A 289 >ALA~A 53 36.62 70.99 39.52 37.36 69.82 40.16 36.99 70.40 39.84 2 0 7.99 -999 ? O2 EDO A 289 >GLY~A 54 35.47 69.66 36.15 35.37 70.40 36.52 35.42 70.03 36.34 1 0 8.32 -999 ? O2 EDO A 289 >SER~A 55 33.53 72.83 35.33 31.29 72.57 36.14 32.41 72.70 35.74 2 0 8.54 -999 ? O8 UNL A 288 >LEU~A 56 37.20 75.19 37.42 36.60 76.46 39.05 36.90 75.83 38.23 3 0 4.28 -999 ? O1 EDO A 289 >ILE~A 57 39.00 71.52 33.92 39.80 70.44 34.11 39.40 70.98 34.02 3 0 5.68 -999 ? O2 EDO A 289 >PHE~A 58 34.65 70.88 31.62 34.59 68.30 32.71 34.62 69.59 32.16 3 0 9.42 -999 ? O6 UNL A 288 >LEU~A 59 35.13 77.57 32.29 33.06 77.83 32.80 34.09 77.70 32.55 3 0 -4.08 -999 ? O1 EDO A 291s >GLU~A 60 40.55 77.51 32.85 40.62 79.59 32.50 40.58 78.55 32.67 2 0 -4.10 -999 ? C1 EDO A 289s >LEU~A 61 38.79 73.41 27.61 40.25 71.86 28.03 39.52 72.63 27.82 3 0 9.18 -999 ? O1 EDO A 291 >TYR~A 62 33.96 76.41 27.13 31.86 74.60 27.58 32.91 75.51 27.36 3 0 5.69 -999 ? O1 EDO A 291 >PHE~A 64 43.43 76.50 24.66 45.48 75.70 22.93 44.46 76.10 23.79 3 0 11.83 -999 ? C2 EDO A 291 >LEU~A 65 38.48 76.00 22.19 38.95 73.86 22.33 38.71 74.93 22.26 3 0 9.12 -999 ? C2 EDO A 291 >GLY~A 66 37.78 80.57 21.59 37.42 79.85 21.70 37.60 80.21 21.64 1 0 6.28 -999 ? O2 EDO A 291 >ASN.A 67 34.36 77.48 21.28 32.49 76.81 20.53 33.42 77.14 20.90 2 0 8.19 -999 ? O2 EDO A 291 >ASP.A 68 31.06 81.38 24.29 30.28 81.99 26.17 30.67 81.68 25.23 2 0 3.89 -999 ? O2 EDO A 291s >ASP.A 69 28.24 77.48 23.85 26.87 75.97 24.36 27.56 76.73 24.10 2 0 9.56 -999 ? C2 EDO A 291 >PRO.A 70 32.83 74.13 23.58 30.92 74.49 22.46 31.87 74.31 23.02 3 0 8.44 -999 ? C2 EDO A 291 >PHE~A 71 28.44 70.96 24.95 30.40 69.45 26.23 29.42 70.21 25.59 3 0 8.95 -999 ? O6 UNL A 288 >ILE~A 72 25.86 75.92 20.48 25.14 76.31 20.30 25.50 76.12 20.39 3 0 12.20 -999 ? O2 EDO A 291 >GLU~A 73 25.67 73.01 16.07 26.24 72.40 14.10 25.95 72.71 15.08 2 0 14.72 -999 ? C1 EDO A 290 >TYR~A 74 25.71 67.88 20.68 27.57 66.52 19.12 26.64 67.20 19.90 3 0 12.76 -999 ? O6 UNL A 288 >LYS~A 75 21.75 71.66 22.71 24.30 75.82 26.09 23.02 73.74 24.40 2 0 11.43 -999 ? C2 EDO A 291 >LEU~A 76 20.15 73.83 18.62 20.52 75.95 18.63 20.33 74.89 18.63 3 0 17.50 -999 ? O2 EDO A 291 >LYS~A 77 18.93 69.52 18.72 18.47 64.90 16.01 18.70 67.21 17.37 2 0 17.61 -999 ? O5 UNL A 288 >SER~A 78 17.99 68.43 22.26 19.97 67.45 23.32 18.98 67.94 22.79 2 0 10.83 -999 ? O5 UNL A 288 >GLU~A 79 17.18 73.32 23.89 18.52 74.92 23.43 17.85 74.12 23.66 2 0 14.99 -999 ? O6 UNL A 288 >GLU~A 80 13.46 71.20 17.16 14.30 71.19 15.22 13.88 71.19 16.19 2 0 21.34 -999 ? O5 UNL A 288 >MET?A 81 13.26 67.20 20.34 12.81 63.98 19.46 13.04 65.59 19.90 2 0 17.58 -999 ? O5 UNL A 288 >ALA~A 82 12.35 67.79 24.00 13.28 68.35 25.06 12.82 68.07 24.53 2 0 14.12 -999 ? O1 UNL A 288 >ARG~A 83 9.28 74.11 21.53 9.31 73.26 18.54 9.30 73.69 20.03 2 0 22.65 -999 ? O5 UNL A 288 >LYS~A 84 8.13 68.42 20.67 11.02 69.47 15.18 9.58 68.94 17.92 2 0 22.66 -999 ? O5 UNL A 288 >VAL~A 85 8.04 65.37 22.97 9.37 63.69 23.48 8.70 64.53 23.22 3 0 18.40 -999 ? O5 UNL A 288 >ALA~A 86 6.75 67.43 25.88 7.47 68.57 26.52 7.11 68.00 26.20 2 0 17.95 -999 ? O1 UNL A 288 >ASP~A 87 4.14 69.62 22.34 5.05 71.52 22.68 4.60 70.57 22.51 2 0 22.59 -999 ? O1 UNL A 288 >ILE~A 88 3.72 64.15 22.15 4.01 63.21 21.08 3.87 63.68 21.62 3 0 23.30 -999 ? O1 UNL A 288 >ILE~A 89 4.13 64.47 27.38 5.09 64.00 28.34 4.61 64.24 27.86 3 0 19.72 -999 ? O1 UNL A 288 >LYS~A 90 0.80 67.43 27.33 3.58 72.78 27.35 2.19 70.11 27.34 2 0 22.19 -999 ? O1 UNL A 288 >ARG~A 91 -1.98 67.63 21.01 0.93 67.96 19.97 -0.52 67.79 20.49 2 0 26.76 -999 ? O1 UNL A 288 >LYS~A 92 -1.96 62.72 25.58 0.55 58.22 22.60 -0.70 60.47 24.09 2 0 26.50 -999 ? O1 UNL A 288 >LEU~A 93 0.03 61.84 29.70 1.07 60.21 28.67 0.55 61.02 29.19 3 0 23.56 -999 ? O1 UNL A 288 >LEU.A 95 1.10 63.64 34.70 2.20 62.61 33.12 1.65 63.13 33.91 3 0 21.54 -999 ? O1 UNL A 288 >ASP~A 96 -1.21 62.30 39.88 -0.01 60.52 39.96 -0.61 61.41 39.92 2 0 24.13 -999 ? O1 UNL A 288 >PHE~A 97 3.32 66.05 42.86 5.65 67.28 43.79 4.48 66.67 43.33 3 0 20.54 -999 ? O1 UNL A 288 >GLU~A 98 4.28 59.09 42.58 5.10 57.82 41.07 4.69 58.46 41.83 2 0 20.43 -999 ? O1 UNL A 288 >LEU~A 99 2.93 60.42 36.85 2.26 58.39 36.46 2.60 59.41 36.66 3 0 21.36 -999 ? O1 UNL A 288 >ALA~A 100 5.15 64.34 37.01 4.36 65.59 37.34 4.76 64.97 37.17 2 0 18.90 -999 ? O1 UNL A 288 >VAL~A 101 8.07 63.82 39.42 8.43 63.76 41.62 8.25 63.79 40.52 3 0 15.98 -999 ? O1 UNL A 288 >LEU~A 103 7.54 63.16 33.82 7.19 63.64 31.73 7.37 63.40 32.77 3 0 15.93 -999 ? O1 UNL A 288 >ALA~A 104 11.22 65.11 35.49 10.99 66.07 36.67 11.10 65.59 36.08 2 0 12.28 -999 ? O1 UNL A 288 >ILE~A 105 13.44 61.29 37.62 13.63 60.72 38.85 13.54 61.00 38.24 3 0 10.98 -999 ? O1 UNL A 288 >ILE~A 106 11.76 60.15 32.61 10.83 59.24 32.14 11.29 59.69 32.38 3 0 13.20 -999 ? O1 UNL A 288 >GLY~A 107 14.01 63.90 31.49 14.44 63.47 32.03 14.23 63.69 31.76 1 0 9.71 -999 ? O1 UNL A 288 >ASN~A 108 17.43 63.62 34.94 19.42 64.00 35.62 18.42 63.81 35.28 2 0 -3.94 -999 ? O1 UNL A 288s >VAL~A 109 17.85 60.26 31.81 17.00 58.38 32.57 17.43 59.32 32.19 3 0 8.51 -999 ? O1 UNL A 288 >ILE~A 110 15.74 61.23 27.60 14.52 61.00 26.95 15.13 61.11 27.28 3 0 11.20 -999 ? O5 UNL A 288 >ASP.A 111 20.78 61.08 25.00 22.09 62.15 23.71 21.44 61.62 24.36 2 0 9.34 -999 ? O5 UNL A 288 >PHE.A 112 15.77 65.21 25.16 14.03 64.76 27.28 14.90 64.99 26.22 3 0 11.58 -999 ? O5 UNL A 288 >SER.A 113 20.17 64.91 20.92 22.40 64.24 21.65 21.28 64.57 21.28 2 0 11.08 -999 ? O5 UNL A 288 >VAL.A 114 19.85 61.47 19.29 20.83 60.10 20.70 20.34 60.78 19.99 3 0 13.61 -999 ? O5 UNL A 288 >GLY.A 115 17.19 60.32 16.82 17.42 61.10 16.85 17.31 60.71 16.83 1 0 17.74 -999 ? O5 UNL A 288 >PHE.A 116 16.43 62.09 13.00 19.22 62.38 12.64 17.82 62.24 12.82 3 0 20.89 -999 ? O5 UNL A 288 >SER~A 117 11.18 60.78 16.04 9.47 59.11 16.02 10.32 59.94 16.03 2 0 22.91 -999 ? O5 UNL A 288 >PRO~A 118 9.59 64.54 17.43 9.69 62.44 18.22 9.64 63.49 17.83 3 0 20.96 -999 ? O5 UNL A 288 >ASP~A 120 10.13 56.61 18.20 9.39 55.91 16.33 9.76 56.26 17.27 2 0 23.64 -999 ? O5 UNL A 288 >LEU~A 121 11.63 60.05 21.90 13.12 60.50 23.43 12.38 60.27 22.66 3 0 16.13 -999 ? O5 UNL A 288 >GLU~A 122 5.32 61.24 24.02 3.71 59.89 24.32 4.51 60.57 24.17 2 0 22.61 -999 ? O1 UNL A 288 >VAL~A 125 8.82 57.89 27.88 8.96 60.10 28.04 8.89 58.99 27.96 3 0 16.88 -999 ? O1 UNL A 288 >GLU~A 126 3.58 57.58 26.93 1.62 57.32 26.08 2.60 57.45 26.51 2 0 24.42 -999 ? O1 UNL A 288 >LYS~A 127 7.10 53.03 28.91 9.94 50.33 24.56 8.52 51.68 26.74 2 0 21.59 -999 ? O5 UNL A 288 >MET?A 128 9.43 54.48 31.53 13.03 56.15 29.86 11.23 55.32 30.70 2 0 14.25 -999 ? O5 UNL A 288 >LEU~A 129 5.55 57.07 32.93 5.64 59.24 32.78 5.60 58.15 32.86 3 0 18.92 -999 ? O1 UNL A 288 >LYS~A 130 5.38 52.69 34.47 2.50 50.98 29.14 3.94 51.84 31.80 2 0 25.60 -999 ? O1 UNL A 288 >ASP.A 131 10.09 51.85 35.44 10.16 50.69 33.65 10.12 51.27 34.55 2 0 19.43 -999 ? O1 UNL A 288 >LEU.A 133 11.49 55.99 41.73 11.31 57.87 40.60 11.40 56.93 41.16 3 0 15.67 -999 ? O1 UNL A 288 >TYR.A 134 16.67 52.00 44.10 17.97 50.41 46.02 17.32 51.20 45.06 3 0 18.30 -999 ? O1 UNL A 288 >ILE^A 135 14.88 56.06 46.77 15.73 56.21 47.82 15.31 56.13 47.30 3 0 17.32 -999 ? O1 UNL A 288 >ASP^A 136 9.39 56.70 45.22 7.96 57.96 44.25 8.67 57.33 44.73 2 0 19.26 -999 ? O1 UNL A 288 >ASP~A 137 11.26 60.91 49.13 12.44 59.50 50.20 11.85 60.20 49.67 2 0 19.62 -999 ? O1 UNL A 288 >SER~A 138 7.54 62.12 46.23 6.33 60.59 44.78 6.93 61.36 45.51 2 0 20.06 -999 ? O1 UNL A 288 >GLU~A 140 8.21 62.22 52.94 10.23 61.71 53.52 9.22 61.97 53.23 2 0 22.84 -999 ? O8 UNL A 288 >LEU~A 141 8.28 65.83 47.15 9.34 67.24 45.90 8.81 66.53 46.52 3 0 18.57 -999 ? O1 UNL A 288 >PHE~A 142 1.57 65.67 47.08 -1.18 66.16 46.71 0.20 65.91 46.90 3 0 25.93 -999 ? O1 UNL A 288 >GLU~A 143 2.15 65.24 52.03 0.03 65.52 51.90 1.09 65.38 51.97 2 0 28.75 -999 ? O1 UNL A 288 >GLU~A 144 7.91 68.58 52.57 7.87 69.54 54.44 7.89 69.06 53.51 2 0 24.46 -999 ? O8 UNL A 288 >VAL~A 145 5.08 71.57 48.27 5.35 71.13 46.09 5.21 71.35 47.18 3 0 22.34 -999 ? O8 UNL A 288 >LYS~A 146 1.41 72.06 49.23 -2.62 68.06 50.42 -0.60 70.06 49.83 2 0 30.25 -999 ? O1 UNL A 288 >ARG~A 147 1.97 71.65 55.66 4.49 69.82 55.73 3.23 70.74 55.69 2 0 27.77 -999 ? O8 UNL A 288 >ALA~A 148 5.51 75.85 51.04 6.46 75.39 49.91 5.98 75.62 50.47 2 0 23.78 -999 ? O8 UNL A 288 >GLU.A 149 4.36 80.79 52.79 4.23 79.27 54.23 4.29 80.03 53.51 2 0 29.35 -999 ? O8 UNL A 288 >ASN^A 150 9.57 80.59 49.03 8.87 82.60 49.46 9.22 81.60 49.25 2 0 25.30 -999 ? O8 UNL A 288 >ILE^A 151 8.96 75.95 45.63 8.17 74.86 45.41 8.57 75.40 45.52 3 0 19.92 -999 ? O8 UNL A 288 >LEU^A 152 14.57 77.22 45.36 16.43 77.99 44.52 15.50 77.60 44.94 3 0 15.94 -999 ? O8 UNL A 288 >TYR^A 153 12.29 73.17 39.88 11.87 70.72 38.52 12.08 71.94 39.20 3 0 13.48 -999 ? O8 UNL A 288 >ILE^A 154 18.39 73.65 41.53 19.47 74.21 42.42 18.93 73.93 41.97 3 0 10.11 -999 ? O8 UNL A 288 >THR.A 155 17.55 72.72 36.88 16.82 74.39 35.66 17.18 73.56 36.27 2 0 10.44 -999 ? O8 UNL A 288 >ASP.A 156 20.11 69.20 35.53 21.89 68.13 35.16 21.00 68.66 35.35 2 0 -3.10 -999 ? O8 UNL A 288s >ASN.A 157 20.71 68.60 30.90 22.64 68.00 31.61 21.67 68.30 31.25 2 0 -4.22 -999 ? O6 UNL A 288s >VAL.A 158 18.62 71.45 28.33 20.01 72.53 27.02 19.31 71.99 27.67 3 0 10.42 -999 ? O6 UNL A 288 >GLY~A 159 15.91 69.11 26.99 15.91 69.50 27.79 15.91 69.31 27.39 1 0 11.26 -999 ? O1 UNL A 288 >GLU~A 160 16.10 67.42 32.91 17.84 67.18 34.15 16.97 67.30 33.53 2 0 5.64 -999 ? O1 UNL A 288 >HIS~A 161 14.94 73.33 29.76 15.05 73.97 27.76 15.00 73.65 28.76 3 0 13.15 -999 ? O1 UNL A 288 >TYR~A 162 11.24 71.82 26.76 11.83 73.98 25.11 11.53 72.90 25.94 3 0 16.44 -999 ? O1 UNL A 288 >PHE~A 163 10.61 65.87 30.19 10.30 64.29 27.88 10.45 65.08 29.03 3 0 13.84 -999 ? O1 UNL A 288 >ASP~A 164 12.20 70.95 34.69 13.85 69.71 35.18 13.02 70.33 34.93 2 0 10.29 -999 ? O1 UNL A 288 >ALA~A 165 8.37 72.75 33.15 8.40 73.40 31.79 8.39 73.07 32.47 2 0 17.08 -999 ? O1 UNL A 288 >ILE~A 166 5.62 68.69 32.56 5.11 67.73 31.64 5.36 68.21 32.10 3 0 18.16 -999 ? O1 UNL A 288 >LEU~A 167 7.69 68.73 37.54 7.75 67.89 39.57 7.72 68.31 38.55 3 0 16.14 -999 ? O1 UNL A 288 >ILE~A 168 7.56 74.16 37.17 8.66 74.96 37.16 8.11 74.56 37.17 3 0 17.84 -999 ? O1 UNL A 288 >GLU~A 169 1.91 74.20 33.92 0.07 74.85 34.79 0.99 74.53 34.36 2 0 24.96 -999 ? O1 UNL A 288 >ILE~A 171 4.90 72.86 41.61 6.13 72.81 42.31 5.52 72.84 41.96 3 0 20.46 -999 ? O8 UNL A 288 >ARG~A 172 3.59 78.07 40.08 1.98 80.64 39.41 2.78 79.35 39.75 2 0 26.28 -999 ? O8 UNL A 288 >GLU~A 173 -2.00 72.90 38.02 -2.24 71.15 36.84 -2.12 72.03 37.43 2 0 26.11 -999 ? O1 UNL A 288 >ILE~A 174 -0.95 70.96 43.99 -0.21 69.82 43.60 -0.58 70.39 43.79 3 0 25.87 -999 ? O1 UNL A 288 >SER~A 175 0.49 75.12 45.79 2.73 75.52 46.74 1.61 75.32 46.27 2 0 25.35 -999 ? O8 UNL A 288 >ASN.A 176 -0.69 79.50 47.39 -2.76 79.05 46.99 -1.72 79.28 47.19 2 0 31.40 -999 ? O8 UNL A 288 >ALA.A 177 4.10 79.05 46.72 5.02 77.88 46.91 4.56 78.46 46.81 2 0 24.39 -999 ? O8 UNL A 288 >VAL^A 179 8.44 79.35 42.57 7.83 77.47 41.62 8.14 78.41 42.10 3 0 20.47 -999 ? O8 UNL A 288 >TYR^A 180 12.41 82.15 43.71 11.42 84.34 45.19 11.92 83.25 44.45 3 0 21.69 -999 ? O8 UNL A 288 >ILE^A 181 12.77 78.31 37.74 11.79 77.81 37.01 12.28 78.06 37.37 3 0 16.24 -999 ? O8 UNL A 288 >ALA^A 182 17.42 78.56 38.80 18.22 78.39 40.12 17.82 78.48 39.46 2 0 13.12 -999 ? O8 UNL A 288 >GLY^A 183 19.61 78.02 35.76 19.86 78.59 36.32 19.73 78.30 36.04 1 0 11.72 -999 ? O8 UNL A 288 >LYS.A 184 23.24 78.74 34.95 22.83 74.02 36.74 23.04 76.38 35.84 2 0 6.82 -999 ? O8 UNL A 288 >GLU.A 185 26.21 84.22 34.56 24.75 85.68 34.97 25.48 84.95 34.77 2 0 12.37 -999 ? C1 EDO A 291 >GLY.A 186 26.10 80.97 30.87 25.97 80.28 31.42 26.03 80.63 31.14 1 0 8.81 -999 ? C1 EDO A 291 >PRO.A 187 26.52 79.04 27.00 26.69 78.43 29.17 26.61 78.74 28.09 3 0 8.13 -999 ? C2 EDO A 291 >ILE.A 188 28.84 75.00 32.18 29.40 74.55 32.56 29.12 74.77 32.37 3 0 8.51 -999 ? O1 EDO A 291 >ILE.A 189 28.57 70.24 30.02 29.78 69.63 29.53 29.17 69.93 29.77 3 0 5.95 -999 ? O6 UNL A 288 >ASN.A 190 24.10 69.35 27.93 25.15 68.48 26.30 24.62 68.91 27.11 2 0 6.90 -999 ? O6 UNL A 288 >ASP.A 191 24.05 73.14 32.53 24.78 71.55 33.73 24.42 72.34 33.13 2 0 5.05 -999 ? O7 UNL A 288 >ALA.A 192 20.28 74.93 30.98 18.89 74.55 31.44 19.58 74.74 31.21 2 0 10.46 -999 ? O8 UNL A 288 >THR~A 193 21.04 78.60 31.32 22.07 79.18 29.48 21.55 78.89 30.40 2 0 12.62 -999 ? C2 EDO A 291 >VAL~A 194 18.70 81.37 32.43 19.70 82.87 33.73 19.20 82.12 33.08 3 0 16.04 -999 ? O8 UNL A 288 >GLU~A 195 18.74 83.00 26.31 17.17 84.50 26.24 17.96 83.75 26.28 2 0 17.14 -999 ? O2 EDO A 291 >ASP~A 196 18.00 77.29 28.34 19.76 77.18 27.12 18.88 77.24 27.73 2 0 14.17 -999 ? O6 UNL A 288 >LEU~A 197 14.97 78.89 32.36 15.91 77.32 33.57 15.44 78.11 32.97 3 0 14.50 -999 ? O8 UNL A 288 >LYS~A 198 13.17 81.94 29.61 16.54 86.95 31.63 14.86 84.45 30.62 2 0 18.97 -999 ? O2 EDO A 291 >ARG~A 199 15.95 80.66 23.88 18.12 81.65 22.00 17.04 81.16 22.94 2 0 16.65 -999 ? O2 EDO A 291 >ALA~A 200 10.97 77.52 27.45 11.55 76.41 28.32 11.26 76.96 27.89 2 0 17.33 -999 ? O1 UNL A 288 >GLY~A 201 8.40 80.07 28.81 8.95 79.73 29.31 8.68 79.90 29.06 1 0 21.73 -999 ? O1 UNL A 288 >LEU~A 202 10.57 78.80 32.95 10.62 76.62 33.15 10.60 77.71 33.05 3 0 17.68 -999 ? O8 UNL A 288 >GLU~A 203 10.89 84.55 32.64 11.48 86.25 31.52 11.19 85.40 32.08 2 0 23.47 -999 ? O8 UNL A 288 >LEU~A 205 5.84 78.53 35.62 4.70 77.17 34.38 5.27 77.85 35.00 3 0 21.87 -999 ? O1 UNL A 288 >GLY.A 206 7.93 81.53 38.34 8.09 81.84 37.60 8.01 81.68 37.97 1 0 21.84 -999 ? O8 UNL A 288 >LYS^A 207 10.87 83.84 38.88 13.21 88.89 41.92 12.04 86.37 40.40 2 0 24.84 -999 ? O8 UNL A 288 >VAL^A 208 13.72 82.68 36.65 13.83 81.80 34.65 13.77 82.24 35.65 3 0 18.33 -999 ? O8 UNL A 288 >ILE^A 209 16.99 83.52 39.87 16.48 83.28 41.17 16.73 83.40 40.52 3 0 18.20 -999 ? O8 UNL A 288 >SER^A 210 20.74 82.66 37.74 22.93 83.16 36.87 21.83 82.91 37.31 2 0 14.29 -999 ? O1 EDO A 291 >THR.A 211 23.05 80.71 40.10 23.51 78.80 39.24 23.28 79.75 39.67 2 0 11.72 -999 ? O8 UNL A 288 >GLY.A 212 25.52 83.45 39.10 25.61 82.68 38.91 25.57 83.07 39.00 1 0 13.72 -999 ? O1 EDO A 291 >THR.A 213 28.01 80.96 37.73 28.26 79.73 39.54 28.14 80.34 38.64 2 0 11.91 -999 ? O1 EDO A 289 >ARG.A 214 29.82 81.14 31.82 30.57 80.68 28.87 30.20 80.91 30.35 2 0 4.10 -999 ? C2 EDO A 291 >ILE.A 215 30.28 76.15 38.40 31.32 76.31 39.21 30.80 76.23 38.81 3 0 9.57 -999 ? O1 EDO A 289 >VAL.A 216 27.60 72.55 37.12 27.83 70.58 36.10 27.71 71.57 36.61 3 0 5.25 -999 ? O8 UNL A 288 >GLY.A 217 25.52 72.21 40.29 25.71 72.92 39.94 25.62 72.56 40.12 1 0 6.11 -999 ? O8 UNL A 288 >VAL.A 218 25.53 74.77 43.10 23.63 75.10 44.10 24.58 74.93 43.60 3 0 10.25 -999 ? O8 UNL A 288 >PRO.A 219 29.12 76.94 42.11 28.33 75.77 43.85 28.72 76.35 42.98 3 0 11.74 -999 ? O8 UNL A 288 >LEU.A 220 27.59 76.61 48.79 25.65 75.69 49.12 26.62 76.15 48.96 3 0 15.25 -999 ? O8 UNL A 288 >LYS.A 221 31.11 79.58 47.81 35.48 76.24 50.91 33.30 77.91 49.36 2 0 14.53 -999 ? O1 EDO A 289 >LEU.A 222 31.37 80.20 43.15 33.45 79.65 43.02 32.41 79.92 43.08 3 0 9.55 -999 ? O1 EDO A 289 >VAL.A 223 26.93 81.51 43.81 25.82 79.81 44.60 26.38 80.66 44.21 3 0 15.32 -999 ? O1 EDO A 289 >SER~A 224 25.35 84.96 43.66 23.24 84.79 42.47 24.29 84.87 43.07 2 0 17.94 -999 ? O1 EDO A 291 >GLU~A 226 18.86 86.95 42.77 18.56 87.38 40.68 18.71 87.16 41.73 2 0 20.83 -999 ? C1 EDO A 291 >PHE~A 227 21.42 80.65 43.81 20.91 77.92 44.12 21.16 79.29 43.96 3 0 14.35 -999 ? O8 UNL A 288 >MET?A 228 21.67 82.64 48.12 25.80 83.18 49.24 23.74 82.91 48.68 2 0 19.02 -999 ? O1 EDO A 289 >GLU~A 229 19.42 87.19 49.44 19.42 89.17 48.66 19.42 88.18 49.05 2 0 25.37 -999 ? O8 UNL A 288 >ALA~A 230 16.37 82.52 47.08 16.37 82.35 45.57 16.37 82.44 46.33 2 0 19.22 -999 ? O8 UNL A 288 >PHE~A 231 19.93 77.75 48.78 20.71 75.18 49.54 20.32 76.46 49.16 3 0 16.01 -999 ? O8 UNL A 288 >ASN~A 232 18.17 82.05 52.67 20.22 81.80 53.16 19.20 81.93 52.92 2 0 22.33 -999 ? O8 UNL A 288 >ALA~A 234 12.91 78.39 50.02 13.85 77.50 49.19 13.38 77.94 49.60 2 0 19.31 -999 ? O8 UNL A 288 >ASP.A 235 9.31 76.28 52.42 9.02 78.22 53.20 9.16 77.25 52.81 2 0 25.12 -999 ? O8 UNL A 288 >VAL^A 236 11.39 73.27 49.62 9.83 71.80 49.21 10.61 72.53 49.42 3 0 19.57 -999 ? O8 UNL A 288 >ILE^A 237 15.68 73.22 47.68 16.75 73.97 47.97 16.21 73.60 47.82 3 0 15.24 -999 ? O8 UNL A 288 >ILE^A 238 12.73 70.47 43.25 11.51 69.91 42.81 12.12 70.19 43.03 3 0 14.22 -999 ? O8 UNL A 288 >ALA^A 239 17.45 69.73 42.70 18.57 69.61 43.72 18.01 69.67 43.21 2 0 9.50 -999 ? O8 UNL A 288 >LYS^A 240 17.80 67.94 39.37 14.58 67.10 36.04 16.19 67.52 37.71 2 0 8.81 -999 ? O1 UNL A 288 >GLY~A 241 20.68 65.71 38.45 20.64 65.87 39.23 20.66 65.79 38.84 1 0 4.46 -999 ? O1 UNL A 288 >GLN~A 242 24.33 62.30 38.40 25.78 61.09 37.42 25.06 61.70 37.91 2 0 -4.54 -999 ? O3 UNL A 288s >GLY~A 243 25.87 67.78 39.77 25.18 67.59 40.18 25.52 67.68 39.97 1 0 -3.43 -999 ? O8 UNL A 288s >ASN~A 244 21.84 69.80 41.58 21.64 71.48 40.30 21.74 70.64 40.94 2 0 6.18 -999 ? O8 UNL A 288 >PHE~A 245 23.56 64.04 44.88 24.48 62.33 46.86 24.02 63.19 45.87 3 0 10.17 -999 ? O8 UNL A 288 >GLU~A 246 28.33 65.00 42.72 29.72 65.02 41.12 29.03 65.01 41.92 2 0 7.28 -999 ? O8 UNL A 288 >THR~A 247 27.36 70.05 45.46 27.11 71.15 43.61 27.24 70.60 44.54 2 0 8.33 -999 ? O8 UNL A 288 >LEU~A 248 22.96 70.31 47.34 22.23 72.18 46.52 22.60 71.25 46.93 3 0 11.14 -999 ? O8 UNL A 288 >SER~A 249 24.75 66.62 49.56 26.72 65.49 48.60 25.73 66.06 49.08 2 0 12.31 -999 ? O8 UNL A 288 >ILE.A 251 24.31 71.59 53.39 24.24 72.54 52.16 24.27 72.06 52.77 3 0 16.79 -999 ? O8 UNL A 288 >ASN.A 252 22.73 68.80 58.05 22.18 66.85 58.70 22.45 67.82 58.38 2 0 22.19 -999 ? O8 UNL A 288 >ASP.A 253 19.67 71.51 54.09 18.22 72.91 53.42 18.95 72.21 53.76 2 0 18.75 -999 ? O8 UNL A 288 >SER.A 254 15.95 68.46 54.84 14.59 69.05 56.71 15.27 68.75 55.78 2 0 22.45 -999 ? O8 UNL A 288 >ARG.A 255 14.58 74.71 53.58 16.81 76.65 52.69 15.70 75.68 53.14 2 0 20.06 -999 ? O8 UNL A 288 >ILE^A 256 17.82 69.65 49.47 19.01 70.25 49.10 18.41 69.95 49.28 3 0 14.27 -999 ? O8 UNL A 288 >PHE^A 257 12.57 66.60 48.25 10.94 66.36 50.52 11.75 66.48 49.39 3 0 18.06 -999 ? O8 UNL A 288 >PHE^A 258 19.33 65.29 46.18 20.82 66.65 48.13 20.08 65.97 47.16 3 0 11.50 -999 ? O8 UNL A 288 >LEU^A 259 14.50 64.83 40.91 12.76 65.58 41.93 13.63 65.21 41.42 3 0 11.58 -999 ? O1 UNL A 288 >LEU^A 260 19.57 62.59 40.06 20.56 62.17 41.93 20.06 62.38 41.00 3 0 7.50 -999 ? O1 UNL A 288 >LYS^A 261 19.58 59.02 37.89 20.51 55.56 32.73 20.05 57.29 35.31 2 0 9.43 -999 ? O5 UNL A 288 >ALA.A 262 22.77 57.78 39.58 22.80 56.99 40.86 22.78 57.39 40.22 2 0 10.13 -999 ? O2 UNL A 288 >LYS.A 263 24.58 57.47 36.26 22.02 62.11 32.74 23.30 59.79 34.50 2 0 -3.23 -999 ? O5 UNL A 288s >CYH~A 264 28.18 57.45 37.60 28.99 59.78 36.25 28.59 58.61 36.93 2 0 6.21 -999 ? O3 UNL A 288 >PRO~A 265 30.90 54.14 38.32 29.43 55.31 39.57 30.16 54.73 38.94 3 0 11.79 -999 ? O3 UNL A 288 >ALA~A 266 30.92 57.63 42.44 31.79 58.79 41.99 31.35 58.21 42.22 2 0 11.33 -999 ? O3 UNL A 288 >VAL~A 267 27.40 59.12 42.79 26.25 60.59 41.62 26.82 59.86 42.20 3 0 9.07 -999 ? O3 UNL A 288 >ALA~A 268 25.77 55.72 43.19 25.93 54.57 42.21 25.85 55.14 42.70 2 0 12.64 -999 ? O3 UNL A 288 >ARG~A 269 32.20 54.32 46.46 33.18 54.68 43.50 32.69 54.50 44.98 2 0 15.41 -999 ? O3 UNL A 288 >GLU~A 270 27.76 60.89 48.09 29.21 61.13 49.70 28.49 61.01 48.90 2 0 15.23 -999 ? O8 UNL A 288 >LEU~A 271 23.03 57.93 46.12 21.93 59.64 45.35 22.48 58.78 45.73 3 0 12.41 -999 ? O2 UNL A 288 >VAL.A 273 22.17 52.85 45.64 21.17 54.77 45.17 21.67 53.81 45.40 3 0 15.53 -999 ? O2 UNL A 288 >PRO.A 274 20.77 49.42 43.36 22.44 50.94 43.18 21.60 50.18 43.27 3 0 17.31 -999 ? O3 UNL A 288 >GLY.A 276 21.83 53.61 37.19 21.70 53.57 37.97 21.76 53.59 37.58 1 0 11.78 -999 ? O5 UNL A 288 >ALA.A 277 19.13 53.88 39.86 19.29 53.50 41.34 19.21 53.69 40.60 2 0 13.93 -999 ? O1 UNL A 288 >LEU^A 278 15.30 56.41 38.44 15.58 55.83 36.38 15.44 56.12 37.41 3 0 12.14 -999 ? O1 UNL A 288 >VAL^A 279 15.56 58.36 42.69 17.58 58.31 43.58 16.57 58.34 43.13 3 0 12.64 -999 ? O1 UNL A 288 >CYH^A 280 13.43 61.01 44.27 11.30 62.61 44.93 12.36 61.81 44.60 2 0 15.79 -999 ? O1 UNL A 288 >MET?A 281 15.30 61.32 47.51 18.91 59.50 48.57 17.11 60.41 48.04 2 0 15.37 -999 ? O8 UNL A 288 >ARG^A 282 12.72 64.85 53.24 10.84 66.73 54.79 11.78 65.79 54.02 2 0 22.73 -999 ? O8 UNL A 288 >ASN.A 283 18.83 66.39 51.71 20.89 66.79 52.14 19.86 66.59 51.93 2 0 15.93 -999 ? O8 UNL A 288 >VAL.B 3 52.29 63.15 20.85 51.79 63.96 22.81 52.04 63.56 21.83 3 0 15.62 -999 ? O8 UNL B 288 >GLN.B 4 49.05 61.57 17.71 49.22 63.26 16.41 49.13 62.41 17.06 2 0 11.66 -999 ? O2 EDO A 290 >TYR.B 5 43.40 64.67 20.26 41.17 63.33 19.30 42.28 64.00 19.78 3 0 11.65 -999 ? O2 EDO A 290 >GLU~B 6 42.90 60.35 20.46 43.91 60.57 18.63 43.41 60.46 19.55 2 0 13.15 -999 ? O2 EDO A 290 >CYH~B 7 47.31 60.19 24.46 49.04 59.62 22.36 48.17 59.90 23.41 2 0 11.95 -999 ? O3 UNL B 288 >LEU~B 8 45.81 63.32 27.92 45.85 64.21 29.91 45.83 63.77 28.91 3 0 15.03 -999 ? O2 EDO A 289 >THR~B 9 43.12 59.78 28.15 41.56 60.40 26.85 42.34 60.09 27.50 2 0 15.22 -999 ? O3 UNL B 288 >CYH~B 10 44.97 56.67 26.99 44.76 56.49 24.24 44.87 56.58 25.61 2 0 10.03 -999 ? O3 UNL B 288 >MET?B 11 47.58 57.17 29.68 51.10 59.41 28.68 49.34 58.29 29.18 2 0 12.29 -999 ? O3 UNL B 288 >ALA~B 12 45.07 58.10 32.40 44.10 59.29 32.38 44.59 58.69 32.39 2 0 14.55 -999 ? O2 EDO B 289 >ASN~B 13 42.39 54.62 30.27 40.80 55.86 29.61 41.60 55.24 29.94 2 0 12.66 -999 ? O6 UNL B 288 >GLN~B 14 48.35 51.73 31.49 47.55 49.79 30.99 47.95 50.76 31.24 2 0 6.35 -999 ? O6 UNL B 288 >CYH~B 15 46.95 54.56 35.24 48.69 56.65 34.87 47.82 55.60 35.05 2 0 12.26 -999 ? O2 EDO B 289 >GLN~B 16 40.97 53.74 36.70 39.12 54.63 36.17 40.05 54.18 36.44 2 0 15.41 -999 ? O2 EDO B 289 >ARG~B 17 42.93 48.71 31.89 43.21 50.90 29.72 43.07 49.81 30.80 2 0 7.90 -999 ? O6 UNL B 288 >ILE~B 18 48.42 50.81 37.22 49.74 51.04 36.87 49.08 50.92 37.04 3 0 12.27 -999 ? O6 UNL B 288 >VAL~B 19 45.61 51.26 40.64 44.97 53.39 40.54 45.29 52.32 40.59 3 0 11.39 -999 ? O2 EDO B 289 >GLU~B 20 40.67 50.13 39.13 39.48 50.36 37.34 40.07 50.25 38.23 2 0 15.19 -999 ? O6 UNL B 288 >MET?B 21 44.83 45.89 39.87 45.99 44.35 36.48 45.41 45.12 38.17 2 0 11.32 -999 ? O6 UNL B 288 >ALA~B 22 47.18 46.88 42.68 48.09 48.04 42.63 47.64 47.46 42.65 2 0 13.90 -999 ? C2 EDO B 289 >THR~B 23 44.66 47.48 45.46 44.72 49.36 46.57 44.69 48.42 46.01 2 0 12.81 -999 ? O1 EDO B 289 >GLN.B 24 40.58 44.88 46.14 39.45 45.14 44.35 40.02 45.01 45.25 2 0 19.07 -999 ? O2 EDO B 289 >ASP~B 25 42.82 50.38 49.86 42.63 51.86 51.41 42.73 51.12 50.63 2 0 11.59 -999 ? O1 EDO B 289 >MET?B 26 39.63 53.21 47.64 37.14 52.30 45.41 38.39 52.76 46.53 2 0 14.89 -999 ? O2 EDO B 289 >ASP~B 27 41.87 55.78 51.13 40.02 56.03 52.13 40.94 55.91 51.63 2 0 10.81 -999 ? O1 EDO B 289 >ILE~B 28 45.57 53.03 48.44 46.64 52.16 48.92 46.11 52.59 48.68 3 0 9.11 -999 ? O1 EDO B 289 >ARG~B 29 40.86 51.65 43.76 39.53 49.10 42.67 40.20 50.38 43.21 2 0 15.95 -999 ? O2 EDO B 289 >ARG~B 30 40.45 60.74 47.29 40.61 59.35 50.03 40.53 60.04 48.66 2 0 8.54 -999 ? O1 EDO B 289 >ARG~B 31 46.55 59.14 50.11 45.21 57.15 51.97 45.88 58.15 51.04 2 0 -6.38 -999 ? O1 EDO B 289s >ALA~B 32 47.41 57.19 43.48 47.29 55.70 43.25 47.35 56.45 43.36 2 0 6.81 -999 ? O2 EDO B 289 >MET?B 33 45.27 58.93 40.90 44.50 56.53 38.73 44.89 57.73 39.82 2 0 9.86 -999 ? O2 EDO B 289 >ILE~B 34 45.64 62.82 43.85 45.00 63.63 44.85 45.32 63.22 44.35 3 0 3.93 -999 ? O2 EDO B 289 >LEU~B 35 50.46 60.50 42.68 52.62 60.31 42.77 51.54 60.40 42.72 3 0 -4.22 -999 ? C2 EDO B 289s >ALA~B 36 49.00 60.32 38.42 47.97 59.29 38.06 48.48 59.81 38.24 2 0 8.34 -999 ? O2 EDO B 289 >ALA~B 37 47.37 63.63 37.47 46.24 64.31 38.23 46.80 63.97 37.85 2 0 8.49 -999 ? O2 EDO B 289 >LYS~B 38 50.50 65.45 38.55 48.65 66.47 43.53 49.58 65.96 41.04 2 0 5.28 -999 ? O2 EDO B 289 >LEU~B 39 53.02 61.58 37.04 54.17 61.01 38.78 53.60 61.29 37.91 3 0 9.36 -999 ? C2 EDO B 289 >LEU~B 40 49.16 62.93 33.41 48.33 60.94 33.07 48.75 61.94 33.24 3 0 12.75 -999 ? O2 EDO B 289 >ALA~B 41 50.94 67.01 33.64 50.46 67.85 34.77 50.70 67.43 34.20 2 0 12.50 -999 ? O2 EDO A 289 >LYS~B 42 54.71 66.71 34.01 58.56 63.82 38.02 56.63 65.26 36.02 2 0 12.40 -999 ? C2 EDO B 289 >GLU~B 43 55.96 62.26 32.69 58.02 62.58 32.39 56.99 62.42 32.54 2 0 16.35 -999 ? C2 EDO B 289 >TYR~B 44 50.02 64.72 27.68 48.41 64.74 25.38 49.21 64.73 26.53 3 0 16.96 -999 ? O3 UNL B 288 >ASN.B 45 54.90 68.57 27.35 56.58 67.43 27.89 55.74 68.00 27.62 2 0 19.66 -999 ? O2 EDO A 289 >ASN.B 47 59.27 67.47 23.80 59.68 69.46 23.13 59.47 68.47 23.47 2 0 21.51 -999 ? O2 EDO A 290 >ALA.B 48 56.74 63.65 24.79 55.53 63.62 25.72 56.14 63.63 25.26 2 0 16.15 -999 ? O8 UNL B 288 >ILE~B 49 58.47 59.39 23.20 59.55 59.16 22.72 59.01 59.28 22.96 3 0 12.84 -999 ? O8 UNL B 288 >PRO~B 50 52.98 59.04 22.77 54.54 58.66 24.37 53.76 58.85 23.57 3 0 10.94 -999 ? O8 UNL B 288 >ALA~B 51 55.55 54.85 25.21 56.25 53.97 24.16 55.90 54.41 24.68 2 0 7.02 -999 ? O8 UNL B 288 >ILE~B 52 59.59 57.01 26.66 60.97 57.15 26.29 60.28 57.08 26.47 3 0 12.32 -999 ? O8 UNL B 288 >ALA~B 53 56.43 58.98 29.05 55.64 60.10 28.41 56.03 59.54 28.73 2 0 13.34 -999 ? O1 UNL B 288 >GLY~B 54 53.64 56.58 30.02 54.44 56.53 30.13 54.04 56.56 30.08 1 0 10.26 -999 ? O1 UNL B 288 >SER~B 55 56.08 53.92 31.15 56.65 52.46 29.30 56.36 53.19 30.23 2 0 7.68 -999 ? O1 UNL B 288 >LEU~B 56 58.76 57.49 33.10 60.83 57.40 32.42 59.80 57.45 32.76 3 0 14.48 -999 ? O1 UNL B 288 >ILE~B 57 53.37 57.96 34.26 52.40 59.04 34.06 52.88 58.50 34.16 3 0 13.00 -999 ? C2 EDO B 289 >PHE~B 58 52.39 53.12 33.17 50.75 53.96 31.05 51.57 53.54 32.11 3 0 9.08 -999 ? O1 UNL B 288 >LEU~B 59 58.15 52.71 36.45 58.96 51.14 35.18 58.55 51.92 35.82 3 0 12.99 -999 ? O1 UNL B 288 >GLU~B 60 56.73 57.93 40.60 57.17 59.97 40.38 56.95 58.95 40.49 2 0 9.62 -999 ? C2 EDO B 289 >LEU~B 61 51.71 54.41 39.50 50.40 56.05 39.01 51.05 55.23 39.26 3 0 9.51 -999 ? C2 EDO B 289 >TYR~B 62 54.66 49.48 38.95 53.66 48.22 36.67 54.16 48.85 37.81 3 0 12.72 -999 ? O1 UNL B 288 >LYS~B 63 56.63 52.54 43.57 61.93 53.19 40.85 59.28 52.86 42.21 2 0 15.60 -999 ? C2 EDO B 289 >PHE~B 64 51.88 56.21 45.35 49.97 57.18 47.14 50.92 56.69 46.25 3 0 4.72 -999 ? C2 EDO B 289 >LEU~B 65 50.90 50.90 44.14 49.10 51.70 43.08 50.00 51.30 43.61 3 0 10.39 -999 ? C2 EDO B 289 >GLY~B 66 54.46 49.43 46.79 54.02 49.26 46.12 54.24 49.34 46.46 1 0 12.73 -999 ? C2 EDO B 289 >ASN.B 67 52.40 46.59 43.88 51.81 44.70 43.15 52.10 45.64 43.52 2 0 17.03 -999 ? C2 EDO B 289 >ASP.B 68 57.96 45.36 42.04 59.48 45.50 40.56 58.72 45.43 41.30 2 0 17.01 -999 ? O1 UNL B 288 >ASP.B 69 55.03 42.88 38.88 54.18 42.08 37.10 54.61 42.48 37.99 2 0 13.16 -999 ? O1 UNL B 288 >PRO.B 70 51.15 47.01 39.85 51.30 44.83 39.71 51.22 45.92 39.78 3 0 14.46 -999 ? O6 UNL B 288 >PHE~B 71 49.65 44.32 35.04 48.49 46.75 34.38 49.07 45.54 34.71 3 0 9.17 -999 ? O6 UNL B 288 >ILE~B 72 52.34 39.22 39.42 52.80 38.70 40.59 52.57 38.96 40.00 3 0 16.78 -999 ? O6 UNL B 288 >GLU~B 73 47.56 37.13 40.94 48.00 35.07 40.74 47.78 36.10 40.84 2 0 18.97 -999 ? O6 UNL B 288 >TYR~B 74 46.00 40.64 33.59 45.00 41.31 31.07 45.50 40.97 32.33 3 0 9.15 -999 ? O6 UNL B 288 >LYS~B 75 49.81 37.68 33.44 54.92 40.67 33.96 52.36 39.17 33.70 2 0 11.39 -999 ? O1 UNL B 288 >LEU~B 76 49.86 33.78 36.49 51.74 33.57 37.61 50.80 33.67 37.05 3 0 17.36 -999 ? O6 UNL B 288 >LYS~B 77 46.10 33.85 34.02 42.76 37.22 38.15 44.43 35.53 36.09 2 0 16.57 -999 ? O6 UNL B 288 >SER~B 78 46.82 34.95 30.44 46.52 37.36 30.49 46.67 36.15 30.46 2 0 10.52 -999 ? O6 UNL B 288 >GLU~B 79 51.97 33.80 30.77 53.19 34.24 32.45 52.58 34.02 31.61 2 0 14.85 -999 ? O6 UNL B 288 >GLU~B 80 46.76 27.94 32.90 48.24 26.39 32.96 47.50 27.17 32.93 2 0 21.41 -999 ? O6 UNL B 288 >MET?B 81 45.06 30.20 28.91 41.78 29.77 28.10 43.42 29.98 28.51 2 0 18.15 -999 ? O6 UNL B 288 >ALA~B 82 47.15 31.20 25.92 48.04 32.40 25.84 47.59 31.80 25.88 2 0 14.12 -999 ? O6 UNL B 288 >ARG~B 83 51.55 25.86 28.69 49.46 23.85 29.77 50.51 24.86 29.23 2 0 23.06 -999 ? O6 UNL B 288 >LYS~B 84 46.29 25.83 26.13 45.91 23.59 30.90 46.10 24.71 28.51 2 0 23.65 -999 ? O6 UNL B 288 >VAL~B 85 44.74 27.74 23.23 43.58 29.60 22.98 44.16 28.67 23.10 3 0 18.31 -999 ? O5 UNL B 288 >ALA~B 86 48.01 27.56 21.27 49.31 28.17 21.67 48.66 27.87 21.47 2 0 18.42 -999 ? O5 UNL B 288 >ASP~B 87 48.18 23.16 23.26 50.08 23.32 24.17 49.13 23.24 23.71 2 0 22.04 -999 ? C2 EDO B 290 >ILE~B 88 43.35 23.89 20.93 42.02 23.69 21.49 42.69 23.79 21.21 3 0 18.76 -999 ? O1 EDO B 290 >ILE~B 89 46.16 26.98 17.46 46.10 28.33 17.15 46.13 27.65 17.31 3 0 13.83 -999 ? C2 EDO B 290 >LYS~B 90 48.76 23.36 16.81 53.27 23.91 20.65 51.01 23.64 18.73 2 0 19.63 -999 ? C2 EDO B 290 >ARG~B 91 44.50 18.12 19.43 42.21 19.62 20.88 43.35 18.87 20.16 2 0 20.18 -999 ? O1 EDO B 290 >LYS~B 92 43.49 21.51 14.92 38.30 23.75 17.06 40.90 22.63 15.99 2 0 15.66 -999 ? O1 EDO B 290 >LEU~B 93 45.01 25.28 12.62 43.11 26.30 12.92 44.06 25.79 12.77 3 0 10.16 -999 ? C2 EDO B 290 >LYS.B 94 48.05 23.51 10.01 48.22 19.76 13.39 48.13 21.63 11.70 2 0 14.46 -999 ? C2 EDO B 290 >LEU.B 95 48.92 28.14 10.47 47.16 28.95 11.46 48.04 28.54 10.97 3 0 7.83 -999 ? C2 EDO B 290 >ASP~B 96 50.22 28.43 4.91 48.73 29.85 4.67 49.48 29.14 4.79 2 0 -2.72 -999 ? O2 EDO B 290s >PHE~B 97 55.22 32.63 6.42 56.92 34.48 7.61 56.07 33.56 7.01 3 0 10.36 -999 ? O2 EDO B 290 >GLU~B 98 48.59 35.08 4.35 47.58 35.16 2.46 48.09 35.12 3.41 2 0 -4.27 -999 ? O2 EDO B 290s >LEU~B 99 47.19 31.40 8.34 45.24 31.51 7.41 46.21 31.45 7.87 3 0 -4.37 -999 ? O2 EDO B 290s >ALA~B 100 50.90 32.27 11.03 52.18 31.46 10.94 51.54 31.86 10.99 2 0 9.26 -999 ? O2 EDO B 290 >VAL~B 101 51.61 35.98 10.60 52.76 37.20 9.16 52.18 36.59 9.88 3 0 10.04 -999 ? O2 EDO B 290 >LYS~B 102 47.92 36.72 10.96 43.50 36.25 7.07 45.71 36.49 9.01 2 0 6.70 -999 ? C1 EDO B 290 >LEU~B 103 48.23 33.04 14.15 47.59 31.67 15.78 47.91 32.35 14.96 3 0 11.56 -999 ? O2 EDO B 290 >ALA~B 104 50.74 36.43 15.67 52.11 36.63 15.07 51.43 36.53 15.37 2 0 13.44 -999 ? O5 UNL B 288 >ILE~B 105 48.43 40.30 13.79 48.49 41.17 12.73 48.46 40.74 13.26 3 0 11.66 -999 ? O5 UNL B 288 >ILE~B 106 44.88 36.96 16.00 43.83 36.19 15.44 44.35 36.58 15.72 3 0 13.17 -999 ? O5 UNL B 288 >GLY~B 107 47.54 37.13 19.66 47.37 37.90 19.38 47.46 37.51 19.52 1 0 10.11 -999 ? O5 UNL B 288 >ASN~B 108 48.60 41.79 19.33 48.75 43.85 19.94 48.68 42.82 19.64 2 0 4.37 -999 ? O5 UNL B 288 >VAL.B 109 44.16 41.21 20.35 43.08 41.65 18.51 43.62 41.43 19.43 3 0 8.00 -999 ? O5 UNL B 288 >ILE.B 110 43.06 36.97 22.29 42.67 35.77 21.83 42.86 36.37 22.06 3 0 11.61 -999 ? O5 UNL B 288 >ASP~B 111 41.28 39.88 27.00 41.70 40.19 29.08 41.49 40.04 28.04 2 0 9.80 -999 ? O6 UNL B 288 >PHE~B 112 45.15 34.89 25.85 45.92 34.56 23.19 45.53 34.73 24.52 3 0 12.15 -999 ? O5 UNL B 288 >SER~B 113 42.65 36.31 31.16 42.43 38.72 31.52 42.54 37.51 31.34 2 0 11.42 -999 ? O6 UNL B 288 >VAL~B 114 38.83 36.30 30.86 38.62 38.51 30.55 38.73 37.41 30.71 3 0 14.18 -999 ? O6 UNL B 288 >GLY~B 115 37.93 33.42 28.52 37.87 33.39 29.31 37.90 33.41 28.92 1 0 16.97 -999 ? O6 UNL B 288 >PHE.B 116 33.33 29.27 28.57 31.86 27.08 29.42 32.59 28.18 29.00 3 0 24.40 -999 ? O6 UNL B 288 >SER~B 117 37.64 27.81 27.99 36.24 26.61 26.41 36.94 27.21 27.20 2 0 23.30 -999 ? O6 UNL B 288 >PRO~B 118 41.59 25.93 27.50 40.19 27.24 26.28 40.89 26.58 26.89 3 0 -21.31 -999 ? O6 UNL B 288s >GLU~B 119 38.19 23.11 23.93 39.10 23.10 25.90 38.65 23.11 24.91 2 0 23.78 -999 ? O1 EDO B 290 >ASP~B 120 35.19 29.11 24.36 33.70 30.52 23.86 34.44 29.82 24.11 2 0 21.70 -999 ? O5 UNL B 288 >LEU~B 121 39.96 31.33 23.56 40.05 33.13 24.77 40.00 32.23 24.17 3 0 16.55 -999 ? O5 UNL B 288 >GLU~B 122 41.63 26.93 18.81 40.46 26.14 17.22 41.04 26.54 18.01 2 0 14.52 -999 ? O1 EDO B 290 >GLU~B 123 35.72 26.83 18.48 34.14 25.94 19.64 34.93 26.39 19.06 2 0 18.96 -999 ? O1 EDO B 290 >VAL~B 125 40.60 32.68 16.85 42.60 32.30 17.68 41.60 32.49 17.26 3 0 14.24 -999 ? O1 EDO B 290 >GLU~B 126 39.74 28.05 14.34 38.88 26.08 14.12 39.31 27.07 14.23 2 0 12.09 -999 ? O1 EDO B 290 >LYS~B 127 36.89 33.17 13.03 33.32 32.35 17.38 35.11 32.76 15.20 2 0 17.32 -999 ? O1 EDO B 290 >MET?B 128 39.41 35.99 13.33 40.09 37.48 17.23 39.75 36.74 15.28 2 0 13.71 -999 ? O5 UNL B 288 >LEU~B 129 42.31 32.72 11.14 44.17 32.10 12.13 43.24 32.41 11.63 3 0 8.52 -999 ? C1 EDO B 290 >LYS.B 130 39.34 34.89 8.23 36.93 29.80 9.13 38.13 32.35 8.68 2 0 8.49 -999 ? O1 EDO B 290 >ASP.B 131 40.13 39.44 9.99 38.52 39.32 11.40 39.33 39.38 10.69 2 0 13.06 -999 ? C1 EDO B 290 >LEU.B 133 46.42 41.98 6.64 47.20 40.41 7.99 46.81 41.20 7.32 3 0 10.74 -999 ? O2 EDO B 290 >TYR.B 134 43.62 48.36 5.96 42.71 50.49 4.44 43.16 49.42 5.20 3 0 18.67 -999 ? O2 EDO B 290 >ILE^B 135 49.10 47.58 5.60 49.68 48.80 5.67 49.39 48.19 5.63 3 0 17.38 -999 ? O8 UNL B 288 >ASP^B 136 48.81 42.24 3.64 49.34 40.20 3.86 49.08 41.22 3.75 2 0 9.46 -999 ? O2 EDO B 290 >ASP~B 137 54.55 43.98 4.00 53.98 45.90 3.17 54.27 44.94 3.59 2 0 16.49 -999 ? O2 EDO B 290 >SER~B 138 53.72 39.25 4.78 51.52 38.22 4.51 52.62 38.73 4.64 2 0 8.66 -999 ? O2 EDO B 290 >LYS~B 139 54.90 37.82 1.39 55.44 35.41 -3.44 55.17 36.61 -1.02 2 0 12.03 -999 ? O2 EDO B 290 >GLU~B 140 57.26 42.18 0.13 55.15 41.73 -0.37 56.20 41.95 -0.12 2 0 14.14 -999 ? O2 EDO B 290 >LEU~B 141 57.41 39.13 6.32 57.93 39.07 8.43 57.67 39.10 7.37 3 0 14.15 -999 ? O2 EDO B 290 >PHE~B 142 57.31 33.48 2.53 57.47 30.88 1.55 57.39 32.18 2.04 3 0 10.92 -999 ? O2 EDO B 290 >GLU~B 143 59.77 36.51 -0.80 60.14 34.52 -1.57 59.95 35.52 -1.19 2 0 14.84 -999 ? O2 EDO B 290 >GLU~B 144 62.73 40.49 3.51 64.66 41.04 2.84 63.69 40.77 3.17 2 0 20.59 -999 ? O2 EDO B 290 >VAL~B 145 63.14 35.42 6.52 61.16 35.06 7.54 62.15 35.24 7.03 3 0 16.44 -999 ? O2 EDO B 290 >LYS~B 146 64.07 32.67 4.06 60.85 31.15 -0.67 62.46 31.91 1.69 2 0 14.84 -999 ? O2 EDO B 290 >ALA~B 148 68.03 35.79 6.63 67.00 36.24 7.69 67.52 36.02 7.16 2 0 21.42 -999 ? O2 EDO B 290 >ASN^B 150 71.01 37.44 12.16 70.97 38.12 14.23 70.99 37.78 13.19 2 0 22.23 -999 ? O8 UNL B 288 >ILE^B 151 65.21 36.42 12.44 64.10 35.97 11.63 64.65 36.20 12.04 3 0 19.73 -999 ? O8 UNL B 288 >LEU^B 152 65.93 40.96 16.02 66.16 41.93 17.94 66.04 41.45 16.98 3 0 15.72 -999 ? O8 UNL B 288 >TYR^B 153 59.83 37.42 16.92 57.06 37.07 16.49 58.44 37.25 16.70 3 0 13.46 -999 ? O8 UNL B 288 >ILE^B 154 60.86 43.29 19.15 61.71 44.48 19.21 61.28 43.89 19.18 3 0 9.95 -999 ? O8 UNL B 288 >THR.B 155 57.70 40.68 21.61 58.54 39.20 22.90 58.12 39.94 22.26 2 0 10.44 -999 ? O8 UNL B 288 >ASP.B 156 53.90 43.18 22.19 52.75 44.74 23.00 53.32 43.96 22.60 2 0 -3.04 -999 ? O7 UNL B 288s >ASN.B 157 50.92 41.45 25.55 50.61 43.54 25.43 50.77 42.49 25.49 2 0 -3.74 -999 ? O6 UNL B 288s >VAL.B 158 52.29 37.89 27.59 52.53 38.14 29.77 52.41 38.01 28.68 3 0 9.90 -999 ? O6 UNL B 288 >GLY~B 159 49.69 35.51 26.14 50.45 35.75 25.71 50.07 35.63 25.93 1 0 11.09 -999 ? O6 UNL B 288 >GLU~B 160 51.15 38.79 21.13 51.57 40.90 21.06 51.36 39.84 21.09 2 0 6.85 -999 ? O5 UNL B 288 >HIS~B 161 54.70 34.88 25.48 54.18 34.02 27.32 54.44 34.45 26.40 3 0 13.34 -999 ? O2 UNL B 288 >TYR~B 162 52.09 30.58 24.93 53.17 29.71 27.34 52.63 30.14 26.14 3 0 16.92 -999 ? O6 UNL B 288 >PHE~B 163 48.60 33.20 19.45 46.12 32.24 20.25 47.36 32.72 19.85 3 0 14.26 -999 ? O5 UNL B 288 >ASP~B 164 55.28 35.43 19.36 54.38 37.35 19.36 54.83 36.39 19.36 2 0 11.15 -999 ? O7 UNL B 288 >ALA~B 165 56.05 31.01 19.25 55.90 30.22 20.56 55.98 30.62 19.91 2 0 18.01 -999 ? O2 UNL B 288 >ILE~B 166 52.37 29.38 16.45 51.16 28.65 16.46 51.77 29.01 16.45 3 0 14.07 -999 ? O2 EDO B 290 >LEU~B 167 54.83 33.59 14.00 55.16 34.80 12.22 55.00 34.20 13.11 3 0 13.08 -999 ? O2 EDO B 290 >ILE~B 168 59.30 31.95 16.56 60.11 32.71 17.44 59.71 32.33 17.00 3 0 17.98 -999 ? O8 UNL B 288 >GLU~B 169 57.38 26.46 16.81 55.52 26.19 17.94 56.45 26.32 17.38 2 0 17.64 -999 ? O2 EDO B 290 >LYS~B 170 57.15 28.43 11.14 53.98 25.53 7.86 55.57 26.98 9.50 2 0 10.22 -999 ? O2 EDO B 290 >ILE~B 171 60.53 31.99 11.36 60.80 33.35 11.56 60.67 32.67 11.46 3 0 16.20 -999 ? O2 EDO B 290 >ARG~B 172 63.10 28.12 15.47 64.68 25.63 16.40 63.89 26.87 15.94 2 0 22.85 -999 ? O2 EDO B 290 >GLU~B 173 58.61 24.33 10.26 56.44 24.29 10.11 57.53 24.31 10.19 2 0 13.66 -999 ? O2 EDO B 290 >ILE~B 174 60.50 28.60 5.74 59.28 29.36 5.82 59.89 28.98 5.78 3 0 13.63 -999 ? O2 EDO B 290 >SER~B 175 64.85 29.61 7.31 65.71 31.75 8.11 65.28 30.68 7.71 2 0 19.64 -999 ? O2 EDO B 290 >ASN.B 176 69.47 28.31 7.64 69.05 26.45 6.70 69.26 27.38 7.17 2 0 23.13 -999 ? O2 EDO B 290 >ALA.B 177 68.51 32.01 10.51 67.60 33.20 10.37 68.05 32.60 10.44 2 0 22.16 -999 ? O2 EDO B 290 >GLU^B 178 70.71 32.78 16.36 70.26 31.03 17.57 70.49 31.91 16.97 2 0 24.78 -999 ? O8 UNL B 288 >VAL^B 179 66.43 33.80 15.96 64.39 33.29 15.45 65.41 33.54 15.70 3 0 20.32 -999 ? O8 UNL B 288 >TYR^B 180 69.21 36.99 18.34 71.76 35.95 17.81 70.49 36.47 18.08 3 0 21.50 -999 ? O8 UNL B 288 >ILE^B 181 63.02 35.59 21.24 62.12 34.55 21.08 62.57 35.07 21.16 3 0 16.19 -999 ? O8 UNL B 288 >ALA^B 182 63.54 40.14 22.80 64.01 41.41 22.16 63.78 40.78 22.48 2 0 12.91 -999 ? O8 UNL B 288 >GLY^B 183 61.56 40.90 25.91 62.34 41.21 25.88 61.95 41.06 25.90 1 0 11.43 -999 ? O1 UNL B 288 >LYS.B 184 61.67 43.53 28.62 58.44 45.00 25.12 60.06 44.26 26.87 2 0 6.67 -999 ? O1 UNL B 288 >GLU.B 185 66.10 44.54 32.96 67.67 43.09 32.57 66.89 43.81 32.76 2 0 17.60 -999 ? O1 UNL B 288 >GLY.B 186 61.48 43.63 34.12 61.19 43.97 33.39 61.33 43.80 33.75 1 0 13.34 -999 ? O1 UNL B 288 >PRO.B 187 57.94 42.72 36.44 58.41 43.92 34.59 58.17 43.32 35.52 3 0 12.54 -999 ? O1 UNL B 288 >ILE.B 188 56.74 47.77 31.84 56.56 48.54 31.61 56.65 48.15 31.72 3 0 7.79 -999 ? O1 UNL B 288 >ILE.B 189 51.42 47.52 31.34 51.43 48.76 30.52 51.42 48.14 30.93 3 0 5.73 -999 ? O1 UNL B 288 >ASN.B 190 49.96 42.82 30.11 48.46 42.91 31.58 49.21 42.87 30.85 2 0 -6.96 -999 ? O6 UNL B 288s >ASP.B 191 55.47 44.21 28.21 54.55 45.75 27.10 55.01 44.98 27.66 2 0 -3.42 -999 ? O1 UNL B 288s >ALA.B 192 56.55 39.95 28.33 56.55 39.00 27.16 56.55 39.47 27.74 2 0 9.75 -999 ? O1 UNL B 288 >THR~B 193 59.80 40.01 30.23 59.27 39.98 32.30 59.53 39.99 31.27 2 0 12.47 -999 ? O1 UNL B 288 >VAL~B 194 62.81 37.83 29.58 64.98 38.11 29.46 63.89 37.97 29.52 3 0 15.64 -999 ? O1 UNL B 288 >GLU~B 195 61.31 35.16 35.07 60.65 36.09 36.91 60.98 35.62 35.99 2 0 18.35 -999 ? O1 UNL B 288 >ASP~B 196 57.30 36.31 30.61 56.65 37.53 32.23 56.97 36.92 31.42 2 0 12.97 -999 ? O1 UNL B 288 >LEU~B 197 60.59 35.12 26.71 59.82 36.67 25.42 60.21 35.89 26.07 3 0 14.13 -999 ? O1 UNL B 288 >LYS~B 198 62.19 31.79 29.22 67.67 34.58 30.80 64.93 33.19 30.01 2 0 20.88 -999 ? O1 UNL B 288 >ARG~B 199 59.59 31.76 34.97 60.74 32.94 37.57 60.17 32.35 36.27 2 0 20.89 -999 ? O1 UNL B 288 >ALA~B 200 57.40 29.67 28.26 56.76 30.80 27.42 57.08 30.24 27.84 2 0 17.49 -999 ? O1 UNL B 288 >GLY~B 201 60.22 27.59 26.77 60.08 28.34 26.50 60.15 27.97 26.63 1 0 21.55 -999 ? O1 UNL B 288 >LEU~B 202 60.74 31.51 23.92 58.95 32.27 22.96 59.85 31.89 23.44 3 0 17.50 -999 ? O1 UNL B 288 >GLU~B 203 65.72 30.43 26.51 66.80 30.26 28.35 66.26 30.35 27.43 2 0 22.79 -999 ? O1 UNL B 288 >LYS~B 204 64.07 26.08 22.47 61.19 22.08 26.34 62.63 24.08 24.40 2 0 27.02 -999 ? O1 UNL B 288 >LEU~B 205 61.95 29.01 19.36 60.19 27.80 19.08 61.07 28.41 19.22 3 0 21.48 -999 ? O8 UNL B 288 >GLY.B 206 66.06 31.05 19.77 65.86 30.83 20.54 65.96 30.94 20.15 1 0 21.63 -999 ? O8 UNL B 288 >LYS^B 207 68.26 33.13 22.05 71.49 35.00 25.41 69.87 34.07 23.73 2 0 22.83 -999 ? O8 UNL B 288 >VAL^B 208 66.11 35.10 24.49 64.39 34.57 25.69 65.25 34.84 25.09 3 0 18.17 -999 ? O1 UNL B 288 >ILE^B 209 68.33 39.14 24.03 68.78 39.27 22.68 68.56 39.20 23.35 3 0 17.95 -999 ? O8 UNL B 288 >SER^B 210 66.47 41.66 27.15 66.45 42.95 29.18 66.46 42.30 28.17 2 0 15.39 -999 ? O1 UNL B 288 >THR.B 211 65.87 45.15 25.75 63.76 45.66 25.78 64.81 45.41 25.76 2 0 11.53 -999 ? O8 UNL B 288 >GLY.B 212 67.57 46.37 28.94 66.77 46.49 28.85 67.17 46.43 28.90 1 0 15.75 -999 ? O1 UNL B 288 >THR.B 213 64.59 48.40 30.15 64.39 49.69 28.37 64.49 49.05 29.26 2 0 12.66 -999 ? O1 UNL B 288 >ARG.B 214 61.65 47.45 35.63 59.62 46.91 37.83 60.63 47.18 36.73 2 0 14.54 -999 ? O1 UNL B 288 >ILE.B 215 60.85 51.67 28.50 60.47 52.97 29.02 60.66 52.32 28.76 3 0 10.23 -999 ? O1 UNL B 288 >VAL.B 216 57.26 49.75 26.57 55.06 50.04 26.51 56.16 49.90 26.54 3 0 4.68 -999 ? O1 UNL B 288 >GLY.B 217 58.54 49.43 23.04 58.98 49.25 23.71 58.76 49.34 23.37 1 0 5.83 -999 ? O8 UNL B 288 >VAL.B 218 62.14 50.01 22.09 63.07 48.61 20.67 62.61 49.31 21.38 3 0 9.87 -999 ? O8 UNL B 288 >PRO.B 219 63.21 52.38 25.56 63.15 52.70 23.35 63.18 52.54 24.45 3 0 11.38 -999 ? O8 UNL B 288 >LEU.B 220 66.53 53.93 19.78 66.11 52.55 18.12 66.32 53.24 18.95 3 0 14.87 -999 ? O8 UNL B 288 >LYS.B 221 68.45 55.81 23.58 67.13 61.46 21.46 67.79 58.63 22.52 2 0 19.62 -999 ? O8 UNL B 288 >LEU.B 222 66.54 53.88 27.40 65.90 55.82 28.19 66.22 54.85 27.80 3 0 15.84 -999 ? O8 UNL B 288 >VAL.B 223 68.09 50.03 25.43 67.14 49.82 23.48 67.62 49.92 24.46 3 0 14.94 -999 ? O8 UNL B 288 >SER~B 224 71.14 48.01 26.34 70.64 45.63 26.17 70.89 46.82 26.26 2 0 18.23 -999 ? O8 UNL B 288 >GLU~B 226 73.14 41.41 24.59 72.13 40.09 25.90 72.63 40.75 25.25 2 0 21.03 -999 ? O8 UNL B 288 >PHE~B 227 67.79 45.52 22.27 65.64 45.67 20.49 66.72 45.59 21.38 3 0 14.07 -999 ? O8 UNL B 288 >MET?B 228 71.66 47.08 20.06 69.94 49.80 19.63 70.80 48.44 19.84 2 0 17.39 -999 ? O8 UNL B 288 >ALA~B 230 71.36 42.13 18.11 70.41 41.49 19.11 70.88 41.81 18.61 2 0 18.99 -999 ? O8 UNL B 288 >PHE~B 231 68.01 47.13 16.57 66.18 48.69 15.22 67.09 47.91 15.89 3 0 15.71 -999 ? O8 UNL B 288 >ASN~B 232 73.50 46.78 14.84 73.12 48.74 15.60 73.31 47.76 15.22 2 0 21.41 -999 ? O8 UNL B 288 >ALA~B 234 69.51 41.51 12.33 68.26 42.09 13.00 68.89 41.80 12.67 2 0 19.06 -999 ? O8 UNL B 288 >ASP.B 235 68.98 39.49 7.97 71.01 38.98 7.81 69.99 39.24 7.89 2 0 25.07 -999 ? O8 UNL B 288 >VAL^B 236 65.05 41.09 9.48 63.75 39.77 8.28 64.40 40.43 8.88 3 0 19.46 -999 ? O8 UNL B 288 >ILE^B 237 63.79 43.98 13.02 64.51 44.85 13.83 64.15 44.42 13.43 3 0 14.97 -999 ? O8 UNL B 288 >ILE^B 238 59.35 40.09 13.46 58.71 38.98 12.92 59.03 39.53 13.19 3 0 14.08 -999 ? O8 UNL B 288 >ALA^B 239 58.25 44.04 15.89 58.62 45.51 15.69 58.44 44.77 15.79 2 0 9.34 -999 ? O8 UNL B 288 >LYS^B 240 54.96 43.22 17.70 52.55 39.34 17.96 53.76 41.28 17.83 2 0 9.64 -999 ? O7 UNL B 288 >GLY~B 241 52.30 45.73 18.72 52.88 46.03 18.27 52.59 45.88 18.49 1 0 4.57 -999 ? O8 UNL B 288 >GLN~B 242 49.17 49.56 18.85 47.33 50.40 19.51 48.25 49.98 19.18 2 0 -5.62 -999 ? O5 UNL B 288s >GLY~B 243 54.53 50.42 21.45 54.60 50.01 20.76 54.57 50.21 21.10 1 0 -3.16 -999 ? O8 UNL B 288s >ASN~B 244 57.38 47.29 19.08 58.08 46.12 20.73 57.73 46.70 19.90 2 0 5.82 -999 ? O8 UNL B 288 >PHE~B 245 53.93 51.51 14.84 53.30 53.53 13.05 53.62 52.52 13.95 3 0 9.84 -999 ? O8 UNL B 288 >GLU~B 246 53.39 54.49 19.01 52.38 54.77 20.89 52.88 54.63 19.95 2 0 7.04 -999 ? O8 UNL B 288 >THR~B 247 59.25 53.75 19.12 59.22 52.52 20.89 59.24 53.14 20.00 2 0 7.97 -999 ? O8 UNL B 288 >LEU~B 248 60.68 50.68 15.75 62.03 49.31 16.75 61.36 49.99 16.25 3 0 10.78 -999 ? O8 UNL B 288 >SER~B 249 58.75 54.03 13.24 56.82 55.03 14.24 57.78 54.53 13.74 2 0 11.65 -999 ? O8 UNL B 288 >ILE.B 251 64.79 54.73 12.91 65.01 53.76 14.05 64.90 54.25 13.48 3 0 16.34 -999 ? O8 UNL B 288 >ASN.B 252 65.44 55.88 7.60 65.65 55.27 5.55 65.54 55.57 6.58 2 0 22.53 -999 ? O8 UNL B 288 >ASP.B 253 65.49 50.78 9.95 66.68 49.07 10.17 66.08 49.93 10.06 2 0 18.62 -999 ? O8 UNL B 288 >SER.B 254 63.56 48.66 5.97 65.21 48.23 4.26 64.39 48.45 5.11 2 0 22.13 -999 ? O8 UNL B 288 >ARG.B 255 68.35 45.42 8.80 69.14 46.38 11.64 68.74 45.90 10.22 2 0 19.68 -999 ? O8 UNL B 288 >ILE^B 256 61.63 47.42 11.19 61.85 48.12 12.40 61.74 47.77 11.79 3 0 13.99 -999 ? O8 UNL B 288 >PHE^B 257 58.57 43.03 7.92 59.68 42.63 5.37 59.12 42.83 6.65 3 0 17.39 -999 ? O2 EDO B 290 >PHE^B 258 56.11 48.33 12.29 58.22 50.17 12.43 57.17 49.25 12.36 3 0 11.21 -999 ? O8 UNL B 288 >LEU^B 259 53.23 41.86 13.39 54.43 40.65 12.05 53.83 41.25 12.72 3 0 12.03 -999 ? O8 UNL B 288 >LEU^B 260 50.41 46.24 15.56 50.95 48.08 14.51 50.68 47.16 15.04 3 0 7.90 -999 ? O7 UNL B 288 >LYS^B 261 46.34 45.80 15.42 40.43 44.63 17.53 43.38 45.21 16.47 2 0 10.06 -999 ? O5 UNL B 288 >ALA.B 262 45.78 49.56 15.15 45.68 50.28 13.83 45.73 49.92 14.49 2 0 10.64 -999 ? O5 UNL B 288 >LYS.B 263 43.61 49.58 18.25 46.00 45.12 22.06 44.81 47.35 20.16 2 0 -3.06 -999 ? O5 UNL B 288s >CYH~B 264 44.07 53.24 19.15 46.56 54.39 19.51 45.32 53.82 19.33 2 0 8.89 -999 ? O3 UNL B 288 >PRO~B 265 41.51 56.76 18.66 42.95 55.56 17.41 42.23 56.16 18.04 3 0 12.66 -999 ? O5 UNL B 288 >ALA~B 266 46.17 57.78 17.05 46.90 58.16 18.32 46.54 57.97 17.69 2 0 12.38 -999 ? O3 UNL B 288 >VAL~B 267 48.03 54.72 15.76 49.13 53.04 16.69 48.58 53.88 16.22 3 0 9.67 -999 ? O7 UNL B 288 >ALA~B 268 45.37 54.11 13.11 43.90 53.92 13.32 44.64 54.02 13.22 2 0 13.30 -999 ? O5 UNL B 288 >ARG~B 269 44.78 61.38 12.86 44.62 61.20 15.95 44.70 61.29 14.40 2 0 11.16 -999 ? O2 EDO A 290 >GLU~B 270 50.78 57.98 14.47 51.60 57.22 16.36 51.19 57.60 15.42 2 0 11.25 -999 ? O8 UNL B 288 >LEU~B 271 48.97 52.87 10.40 50.15 51.43 11.53 49.56 52.15 10.97 3 0 12.84 -999 ? O8 UNL B 288 >VAL.B 273 44.31 52.81 8.27 45.76 51.36 9.05 45.03 52.09 8.66 3 0 16.12 -999 ? O5 UNL B 288 >PRO.B 274 40.26 51.35 7.74 41.44 52.35 9.35 40.85 51.85 8.54 3 0 17.50 -999 ? O5 UNL B 288 >LYS.B 275 40.72 51.96 13.53 37.70 53.30 18.76 39.21 52.63 16.15 2 0 13.49 -999 ? O5 UNL B 288 >GLY.B 276 41.05 48.29 14.34 41.50 48.59 13.73 41.27 48.44 14.04 1 0 11.80 -999 ? O5 UNL B 288 >ALA.B 277 42.88 47.39 11.14 43.39 48.35 10.09 43.13 47.87 10.62 2 0 14.34 -999 ? O5 UNL B 288 >LEU^B 278 44.88 42.99 11.21 43.69 41.91 12.65 44.28 42.45 11.93 3 0 12.84 -999 ? O5 UNL B 288 >VAL^B 279 48.62 45.28 9.75 48.97 47.47 9.75 48.79 46.37 9.75 3 0 13.49 -999 ? O7 UNL B 288 >CYH^B 280 51.81 43.58 8.63 53.60 41.67 7.78 52.71 42.63 8.20 2 0 13.32 -999 ? O2 EDO B 290 >MET?B 281 53.77 46.56 7.40 52.83 50.70 7.57 53.30 48.63 7.49 2 0 15.32 -999 ? O8 UNL B 288 >ARG^B 282 59.97 45.82 3.71 62.30 44.19 2.55 61.14 45.01 3.13 2 0 20.42 -999 ? O2 EDO B 290 >ASN.B 283 60.02 50.03 8.79 60.45 51.95 9.61 60.24 50.99 9.20 2 0 15.57 -999 ? O8 UNL B 288 >LYS.B 284 59.16 52.06 4.37 58.38 48.05 -0.01 58.77 50.06 2.18 2 0 20.90 -999 ? O2 EDO B 290 >PHE.B 285 58.02 57.52 1.61 56.53 59.67 0.67 57.27 58.59 1.14 3 0 20.93 -999 ? O2 EDO A 290