REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-OCT-07 2ZBV COMPND UNCHARACTERIZED CONSERVED PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 243274; SOURCE 4 STRAIN: MSB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL-X; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-21A AUTHOR A.EBIHARA,Y.FUJIMOTO,W.KAGAWA,N.FUJIKAWA,L.CHEN,Z.Q.FU,J.CHRZAS, AUTHOR 2 B.C.WANG,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 3 INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 80 8 HET MSE A 141 8 HET MSE A 160 8 HET MSE B 1 8 HET MSE B 80 8 HET MSE B 141 8 HET MSE B 160 8 HET MSE C 1 8 HET MSE C 80 8 HET MSE C 141 8 HET MSE C 160 8 HET ADN A 501 19 HET ADN B 502 19 HET ADN C 503 19 SITE 1 AC1 15 ASP A 7 TRP A 8 PHE A 41 VAL A 66 SITE 1 AC2 15 ASP B 7 TRP B 8 PHE B 41 VAL B 66 SITE 1 AC3 15 PHE A 180 ASN A 182 PHE A 220 VAL A 242 >MET?A 1 22.19 21.07 7.64 18.88 22.47 10.19 20.54 21.77 8.92 2 0 20.16 -999 ? C5' ADN C 503 >ILE^A 2 26.41 20.02 9.60 27.69 19.49 9.22 27.05 19.75 9.41 3 0 16.44 -999 ? O3' ADN A 501 >GLY^A 3 24.28 19.85 13.80 25.02 19.50 13.43 24.65 19.67 13.61 1 0 15.48 -999 ? O3' ADN A 501 >PHE^A 4 29.94 21.28 15.10 32.74 20.93 15.11 31.34 21.11 15.10 3 0 10.42 -999 ? O3' ADN A 501 >LEU^A 5 27.07 18.07 19.64 26.20 17.74 21.61 26.63 17.90 20.62 3 0 10.37 -999 ? O3' ADN A 501 >THR^A 6 31.52 18.78 21.11 32.66 20.02 19.71 32.09 19.40 20.41 2 0 6.50 -999 ? O3' ADN A 501 >ASP.A 7 33.68 18.08 25.27 35.27 16.88 24.49 34.48 17.48 24.88 2 0 -3.03 -999 ? O2' ADN A 501s >TRP.A 8 36.21 19.06 20.98 36.05 19.40 17.06 36.13 19.23 19.02 3 0 -4.68 -999 ? C5' ADN A 501s >GLY.A 9 34.85 24.85 24.14 34.92 24.70 23.30 34.89 24.77 23.72 1 0 9.68 -999 ? C3' ADN A 501 >LEU.A 10 33.15 28.98 22.31 31.39 28.64 21.09 32.27 28.81 21.70 3 0 14.09 -999 ? O3' ADN A 501 >LYS.A 11 37.58 29.59 23.80 41.07 32.07 26.83 39.32 30.83 25.31 2 0 13.61 -999 ? O2' ADN B 502 >SER.A 12 39.97 27.47 21.72 40.78 25.80 23.29 40.38 26.64 22.51 2 0 9.57 -999 ? C8 ADN A 501 >HIS~A 13 42.77 27.19 17.35 44.38 25.88 17.69 43.58 26.54 17.52 3 0 11.82 -999 ? C5' ADN A 501 >TYR~A 14 40.55 22.84 19.50 42.86 22.55 21.07 41.71 22.69 20.29 3 0 7.27 -999 ? C5' ADN A 501 >VAL~A 15 35.78 24.61 16.65 33.91 25.00 17.68 34.84 24.80 17.17 3 0 10.36 -999 ? C5' ADN A 501 >GLY~A 16 36.74 27.21 14.06 37.03 26.47 14.13 36.89 26.84 14.10 1 0 13.08 -999 ? C5' ADN A 501 >VAL~A 17 39.29 25.02 12.26 41.01 24.59 13.55 40.15 24.81 12.90 3 0 11.52 -999 ? C5' ADN A 501 >ALA~A 18 36.78 22.17 12.00 36.07 21.49 13.16 36.43 21.83 12.58 2 0 9.47 -999 ? C5' ADN A 501 >LYS~A 19 34.28 24.61 10.49 30.44 27.76 14.41 32.36 26.18 12.45 2 0 15.78 -999 ? O3' ADN A 501 >ALA~A 20 36.94 25.80 8.05 38.31 26.33 8.43 37.62 26.07 8.24 2 0 15.71 -999 ? C5' ADN A 501 >VAL~A 21 37.52 22.20 6.97 38.60 20.46 7.71 38.06 21.33 7.34 3 0 13.65 -999 ? O5' ADN A 501 >ILE~A 22 32.69 21.81 7.53 31.60 21.27 8.32 32.14 21.54 7.93 3 0 15.18 -999 ? C5' ADN A 501 >LYS~A 23 33.37 24.91 4.49 28.67 27.66 5.39 31.02 26.29 4.94 2 0 21.60 -999 ? C5' ADN A 501 >ARG~A 24 39.80 24.35 4.28 42.78 23.92 3.65 41.29 24.13 3.97 2 0 18.16 -999 ? O5' ADN A 501 >ILE~A 25 34.43 19.69 2.25 34.57 18.29 2.60 34.50 18.99 2.42 3 0 18.22 -999 ? O5' ADN A 501 >ASN~A 26 30.11 21.55 1.48 28.22 22.23 0.75 29.16 21.89 1.11 2 0 23.15 -999 ? C5' ADN A 501 >PRO.A 27 32.58 26.07 -0.93 31.17 25.55 0.72 31.88 25.81 -0.11 3 0 23.65 -999 ? O5' ADN A 501 >SER.A 28 27.30 25.91 1.05 26.87 26.28 -1.31 27.08 26.09 -0.13 2 0 26.81 -999 ? C5' ADN A 501 >ALA.A 29 27.23 23.76 4.19 28.42 22.98 4.76 27.82 23.37 4.48 2 0 20.06 -999 ? C5' ADN A 501 >GLU.A 30 22.66 25.84 7.82 23.14 27.90 7.72 22.90 26.87 7.77 2 0 22.49 -999 ? C5' ADN C 503 >ILE^A 31 28.02 24.60 10.53 29.37 24.11 10.55 28.69 24.35 10.54 3 0 16.55 -999 ? C5' ADN A 501 >ILE^A 32 22.87 24.54 13.44 21.47 25.09 13.44 22.17 24.82 13.44 3 0 17.85 -999 ? C5' ADN C 503 >ASP^A 33 27.07 25.64 17.36 28.72 26.12 16.11 27.89 25.88 16.73 2 0 14.57 -999 ? O3' ADN A 501 >ILE^A 34 24.10 20.99 19.27 23.34 19.77 19.11 23.72 20.38 19.19 3 0 14.10 -999 ? O3' ADN A 501 >THR^A 35 26.88 23.27 21.90 26.71 22.46 23.91 26.79 22.87 22.90 2 0 12.28 -999 ? O3' ADN A 501 >HIS.A 36 31.11 23.86 19.96 30.63 23.42 17.97 30.87 23.64 18.96 3 0 10.50 -999 ? O3' ADN A 501 >GLU.A 37 30.10 25.92 25.97 32.17 26.30 25.77 31.14 26.11 25.87 2 0 12.33 -999 ? O3' ADN A 501 >VAL.A 38 29.85 19.78 27.10 29.18 17.90 26.22 29.52 18.84 26.66 3 0 9.11 -999 ? O3' ADN A 501 >GLU.A 39 30.68 19.69 32.15 28.73 19.11 31.57 29.70 19.40 31.86 2 0 12.04 -999 ? O2' ADN A 501 >PRO.A 40 36.48 19.63 29.86 34.93 18.11 29.32 35.71 18.87 29.59 3 0 6.77 -999 ? O2' ADN A 501 >PHE.A 41 37.45 14.11 29.15 39.76 15.68 29.46 38.61 14.90 29.30 3 0 -4.33 -999 ? C2 ADN A 501s >ASN~A 42 30.79 14.92 30.21 29.36 14.16 31.60 30.08 14.54 30.90 2 0 10.78 -999 ? O2' ADN A 501 >VAL~A 43 30.03 11.46 26.83 31.43 9.80 26.59 30.73 10.63 26.71 3 0 8.19 -999 ? O2' ADN A 501 >ARG~A 44 25.86 9.32 32.56 26.14 6.36 31.82 26.00 7.84 32.19 2 0 15.88 -999 ? O2' ADN A 501 >LYS~A 45 26.02 14.31 29.16 25.67 19.48 30.40 25.85 16.90 29.78 2 0 13.99 -999 ? O2' ADN A 501 >ALA~A 46 26.64 14.68 25.44 27.99 14.45 24.73 27.31 14.57 25.08 2 0 9.06 -999 ? O3' ADN A 501 >SER~A 47 24.46 11.62 24.68 24.17 10.09 26.62 24.32 10.86 25.65 2 0 14.23 -999 ? O2' ADN A 501 >HIS~A 48 21.24 12.41 28.74 20.82 10.67 29.84 21.03 11.54 29.29 3 0 17.40 -999 ? O2' ADN A 501 >VAL~A 49 22.06 16.78 24.87 23.36 18.51 25.27 22.71 17.65 25.07 3 0 14.38 -999 ? O3' ADN A 501 >LEU~A 50 23.32 14.02 21.08 23.80 13.33 19.10 23.56 13.67 20.09 3 0 13.30 -999 ? O3' ADN A 501 >TYR~A 51 17.19 11.97 22.57 14.44 11.47 22.45 15.81 11.72 22.51 3 0 19.48 -999 ? O5' ADN C 503 >ARG~A 52 17.25 16.37 26.85 16.95 15.25 29.69 17.10 15.81 28.27 2 0 14.82 -999 ? N7 ADN C 503 >ALA~A 53 18.53 18.75 20.39 19.96 19.21 20.26 19.25 18.98 20.33 2 0 15.29 -999 ? C5' ADN C 503 >SER~A 54 17.98 16.24 17.54 17.81 13.96 18.42 17.89 15.10 17.98 2 0 19.19 -999 ? O3' ADN A 501 >LEU~A 55 13.61 16.36 19.62 12.94 14.70 20.83 13.27 15.53 20.22 3 0 16.37 -999 ? O5' ADN C 503 >ASP.A 56 14.38 21.04 17.57 13.02 21.07 19.22 13.70 21.05 18.40 2 0 12.33 -999 ? O5' ADN C 503 >PHE.A 57 18.76 19.59 14.21 20.62 21.48 15.14 19.69 20.53 14.67 3 0 17.76 -999 ? C5' ADN C 503 >PRO.A 58 15.83 19.45 9.25 15.06 18.17 10.91 15.44 18.81 10.08 3 0 21.08 -999 ? O5' ADN C 503 >PRO.A 59 13.07 14.75 7.76 14.84 14.97 9.10 13.95 14.86 8.43 3 0 24.52 -999 ? O5' ADN C 503 >SER.A 60 18.33 14.01 6.78 17.12 13.63 4.72 17.72 13.82 5.75 2 0 26.15 -999 ? O3' ADN A 501 >THR.A 61 20.25 16.20 9.22 19.73 17.62 10.78 19.99 16.91 10.00 2 0 20.42 -999 ? O3' ADN A 501 >VAL^A 62 23.85 15.08 9.68 25.32 14.54 8.15 24.58 14.81 8.92 3 0 17.82 -999 ? O3' ADN A 501 >PHE^A 63 22.93 15.28 14.50 20.27 16.19 14.64 21.60 15.74 14.57 3 0 16.77 -999 ? O3' ADN A 501 >LEU^A 64 29.63 17.01 13.28 31.74 17.00 12.87 30.68 17.01 13.07 3 0 10.88 -999 ? O3' ADN A 501 >VAL^A 65 29.32 14.65 17.51 27.55 13.87 18.50 28.44 14.26 18.00 3 0 9.18 -999 ? O3' ADN A 501 >VAL^A 66 32.82 14.74 18.94 34.40 15.00 17.43 33.61 14.87 18.18 3 0 -4.93 -999 ? O3' ADN A 501s >VAL.A 67 33.35 14.09 22.66 31.89 14.58 24.18 32.62 14.33 23.42 3 0 -4.33 -999 ? O3' ADN A 501s >ASP.A 68 36.48 11.79 20.55 37.38 10.11 19.72 36.93 10.95 20.13 2 0 -5.53 -999 ? C4' ADN A 501s >TYR.A 69 37.30 9.47 26.58 35.71 7.17 26.77 36.51 8.32 26.68 3 0 -6.56 -999 ? N3 ADN A 501s >GLY.A 70 39.70 7.81 23.22 39.59 8.50 22.78 39.64 8.15 23.00 1 0 6.13 -999 ? N3 ADN A 501 >VAL.A 71 40.81 9.70 20.14 41.54 11.73 19.77 41.17 10.72 19.95 3 0 4.58 -999 ? O5' ADN A 501 >GLY.A 72 43.75 7.91 18.52 43.20 7.48 18.90 43.47 7.69 18.71 1 0 8.12 -999 ? O5' ADN A 501 >THR.A 73 43.11 4.52 20.18 42.09 4.98 22.04 42.60 4.75 21.11 2 0 9.13 -999 ? N3 ADN A 501 >SER.A 74 41.54 1.35 18.74 41.30 -0.30 20.50 41.42 0.52 19.62 2 0 14.52 -999 ? N3 ADN A 501 >ARG.A 75 37.05 6.07 19.17 38.50 7.69 16.99 37.78 6.88 18.08 2 0 7.95 -999 ? O5' ADN A 501 >LYS.A 76 36.08 2.75 16.13 35.82 -2.64 14.52 35.95 0.06 15.32 2 0 18.89 -999 ? O5' ADN A 501 >ALA^A 77 35.05 5.86 14.22 36.03 6.60 13.33 35.54 6.23 13.77 2 0 11.19 -999 ? O5' ADN A 501 >ILE^A 78 30.65 4.44 13.95 30.36 3.85 15.23 30.51 4.15 14.59 3 0 14.83 -999 ? O3' ADN A 501 >VAL^A 79 28.45 6.82 11.20 28.62 7.96 9.34 28.53 7.39 10.27 3 0 16.38 -999 ? O3' ADN A 501 >MET?A 80 24.99 5.77 12.39 22.98 5.27 16.19 23.98 5.52 14.29 2 0 17.97 -999 ? O3' ADN A 501 >LYS^A 81 21.65 6.10 10.63 18.36 4.90 5.36 20.00 5.50 7.99 2 0 26.87 -999 ? O3' ADN A 501 >THR^A 82 18.60 6.14 12.87 18.98 7.76 14.25 18.79 6.95 13.56 2 0 20.74 -999 ? O3' ADN A 501 >LYS.A 83 15.15 4.99 11.80 14.41 -0.98 13.70 14.78 2.01 12.75 2 0 28.82 -999 ? O3' ADN A 501 >ASN.A 84 13.79 9.42 13.12 15.64 10.18 13.85 14.72 9.80 13.48 2 0 23.11 -999 ? O3' ADN A 501 >ASP.A 85 15.32 9.84 7.87 14.40 8.28 6.78 14.86 9.06 7.33 2 0 27.88 -999 ? O3' ADN A 501 >GLN.A 86 17.50 12.79 12.10 17.25 13.91 13.89 17.37 13.35 13.00 2 0 21.06 -999 ? O3' ADN A 501 >TYR^A 87 22.59 10.43 7.99 21.05 9.30 5.92 21.82 9.86 6.96 3 0 21.85 -999 ? O3' ADN A 501 >PHE^A 88 23.52 10.54 14.95 20.92 11.41 15.55 22.22 10.98 15.25 3 0 16.51 -999 ? O3' ADN A 501 >VAL^A 89 29.14 10.98 12.68 30.08 11.87 10.94 29.61 11.43 11.81 3 0 13.03 -999 ? O3' ADN A 501 >ALA^A 90 30.90 10.09 15.94 29.78 10.21 16.97 30.34 10.15 16.45 2 0 9.97 -999 ? O3' ADN A 501 >PRO^A 91 33.39 9.64 19.49 32.92 8.46 17.65 33.16 9.05 18.57 3 0 8.03 -999 ? O3' ADN A 501 >ASP.A 92 32.43 3.19 18.23 31.37 1.51 18.96 31.90 2.35 18.59 2 0 15.17 -999 ? O3' ADN A 501 >ASN.A 93 33.18 6.50 23.06 32.44 8.45 22.61 32.81 7.48 22.84 2 0 8.12 -999 ? O3' ADN A 501 >GLY.A 94 28.57 5.39 23.66 28.82 6.02 23.25 28.69 5.70 23.45 1 0 12.94 -999 ? O3' ADN A 501 >VAL.A 95 27.78 9.04 22.89 28.56 10.67 21.61 28.17 9.86 22.25 3 0 10.09 -999 ? O3' ADN A 501 >LEU~A 96 25.42 7.33 19.01 26.14 8.60 17.42 25.78 7.96 18.21 3 0 13.68 -999 ? O3' ADN A 501 >THR~A 97 23.45 5.66 23.07 24.03 4.74 24.94 23.74 5.20 24.01 2 0 16.73 -999 ? O3' ADN A 501 >VAL~A 98 20.32 7.77 23.57 19.90 9.27 25.12 20.11 8.52 24.35 3 0 18.01 -999 ? O3' ADN A 501 >VAL~A 99 19.47 8.51 19.92 20.95 9.81 18.99 20.21 9.16 19.46 3 0 17.73 -999 ? O3' ADN A 501 >ALA~A 100 20.08 4.83 19.11 21.35 4.05 19.43 20.71 4.44 19.27 2 0 19.19 -999 ? O3' ADN A 501 >GLU~A 101 16.95 3.45 24.34 16.53 1.38 24.26 16.74 2.41 24.30 2 0 24.58 -999 ? O3' ADN A 501 >GLU~A 102 15.49 8.08 23.09 13.98 7.37 24.39 14.74 7.73 23.74 2 0 23.07 -999 ? O5' ADN C 503 >TYR~A 103 15.69 8.81 17.04 15.54 11.55 17.67 15.61 10.18 17.35 3 0 22.13 -999 ? O3' ADN A 501 >GLY~A 104 16.10 2.82 16.67 16.56 3.52 16.47 16.33 3.17 16.57 1 0 24.65 -999 ? O3' ADN A 501 >VAL^A 105 19.18 1.91 14.62 21.15 1.50 15.44 20.16 1.71 15.03 3 0 22.52 -999 ? O3' ADN A 501 >ALA^A 106 18.75 1.53 10.87 18.22 2.66 9.99 18.49 2.10 10.43 2 0 25.42 -999 ? O3' ADN A 501 >GLU^A 107 23.62 0.96 7.63 23.48 1.48 5.58 23.55 1.22 6.60 2 0 25.26 -999 ? O3' ADN A 501 >ILE^A 108 26.25 0.94 12.62 26.32 0.97 14.05 26.28 0.95 13.34 3 0 19.79 -999 ? O3' ADN A 501 >ARG^A 109 28.13 1.62 6.06 27.00 -0.26 3.95 27.57 0.68 5.00 2 0 25.40 -999 ? O5' ADN A 501 >GLU^A 110 35.04 1.38 10.89 36.12 -0.19 11.79 35.58 0.59 11.34 2 0 17.53 -999 ? O5' ADN A 501 >ILE.A 111 34.85 6.46 9.41 34.59 7.89 9.52 34.72 7.18 9.47 3 0 13.76 -999 ? O5' ADN A 501 >GLU.A 112 36.38 1.08 7.46 35.88 -0.91 6.97 36.13 0.08 7.21 2 0 20.68 -999 ? O5' ADN A 501 >ASN~A 113 35.90 5.84 2.58 36.23 6.38 0.55 36.07 6.11 1.57 2 0 21.06 -999 ? O5' ADN A 501 >ARG~A 114 43.45 5.06 4.65 44.38 6.20 7.33 43.91 5.63 5.99 2 0 15.54 -999 ? O5' ADN A 501 >GLU~A 115 39.87 7.74 -1.29 41.81 8.53 -1.61 40.84 8.13 -1.45 2 0 22.01 -999 ? O5' ADN A 501 >LEU~A 116 35.74 10.55 3.40 34.11 9.63 2.31 34.92 10.09 2.86 3 0 17.98 -999 ? O5' ADN A 501 >PHE~A 117 40.40 10.35 6.35 39.70 7.95 7.61 40.05 9.15 6.98 3 0 13.71 -999 ? O5' ADN A 501 >TYR.A 118 41.46 18.24 6.70 42.94 20.61 6.93 42.20 19.42 6.81 3 0 13.39 -999 ? O5' ADN A 501 >LYS.A 119 44.45 14.72 5.51 47.22 18.02 9.69 45.83 16.37 7.60 2 0 12.30 -999 ? O5' ADN A 501 >LYS.A 120 46.18 11.58 4.25 51.12 11.15 1.11 48.65 11.37 2.68 2 0 21.64 -999 ? O5' ADN A 501 >ASN.A 121 49.28 11.22 7.79 50.24 9.84 6.48 49.76 10.53 7.14 2 0 17.18 -999 ? O5' ADN A 501 >PRO.A 122 43.81 10.65 9.35 45.62 11.85 9.87 44.72 11.25 9.61 3 0 11.42 -999 ? O5' ADN A 501 >SER.A 123 46.65 13.78 13.58 44.83 15.14 14.44 45.74 14.46 14.01 2 0 6.78 -999 ? O5' ADN A 501 >PHE.A 124 49.05 10.38 16.45 51.22 9.49 14.93 50.14 9.93 15.69 3 0 11.85 -999 ? O5' ADN A 501 >THR.A 125 44.54 13.43 18.75 46.13 13.99 20.11 45.34 13.71 19.43 2 0 -6.17 -999 ? O5' ADN A 501s >PHE~A 126 41.81 18.03 16.15 39.95 20.15 16.06 40.88 19.09 16.11 3 0 -5.16 -999 ? O5' ADN A 501s >HIS~A 127 40.85 10.73 14.88 42.56 9.50 14.84 41.70 10.12 14.86 3 0 6.89 -999 ? O5' ADN A 501 >GLY~A 128 37.34 15.67 14.92 38.01 15.67 14.41 37.67 15.67 14.67 1 0 5.23 -999 ? O5' ADN A 501 >ARG~A 129 42.14 20.21 11.70 44.99 19.51 12.65 43.57 19.86 12.17 2 0 9.35 -999 ? O5' ADN A 501 >ASP~A 130 42.17 14.66 10.59 43.52 16.17 11.17 42.85 15.42 10.88 2 0 8.89 -999 ? O5' ADN A 501 >ILE~A 131 38.51 11.22 10.77 39.03 9.84 10.82 38.77 10.53 10.79 3 0 9.78 -999 ? O5' ADN A 501 >PHE~A 132 34.79 12.27 13.83 35.32 9.97 15.34 35.06 11.12 14.58 3 0 8.01 -999 ? O5' ADN A 501 >ALA~A 133 34.21 16.85 10.20 35.04 18.10 10.53 34.63 17.48 10.36 2 0 10.57 -999 ? O5' ADN A 501 >PRO~A 134 37.16 15.18 7.41 35.16 16.18 7.30 36.16 15.68 7.35 3 0 12.62 -999 ? O5' ADN A 501 >VAL~A 135 33.03 12.91 6.65 33.20 10.86 7.37 33.12 11.88 7.01 3 0 14.53 -999 ? O5' ADN A 501 >ALA~A 136 30.01 14.84 7.96 29.93 15.61 9.27 29.97 15.22 8.61 2 0 14.26 -999 ? C5' ADN A 501 >ALA~A 137 30.68 17.45 5.28 31.99 18.20 5.08 31.33 17.83 5.18 2 0 16.68 -999 ? O5' ADN A 501 >HIS~A 138 33.01 14.17 1.87 34.82 14.92 1.13 33.92 14.55 1.50 3 0 18.88 -999 ? O5' ADN A 501 >LEU~A 139 27.35 12.52 5.23 27.77 10.50 5.86 27.56 11.51 5.55 3 0 18.98 -999 ? O5' ADN A 501 >ASP~A 140 26.16 17.64 4.96 24.87 19.31 4.82 25.51 18.48 4.89 2 0 21.22 -999 ? O3' ADN A 501 >MET?A 141 26.77 16.95 0.45 30.37 18.55 -1.01 28.57 17.75 -0.28 2 0 22.80 -999 ? O5' ADN A 501 >GLY~A 142 24.94 13.86 -0.74 25.63 13.71 -0.38 25.28 13.79 -0.56 1 0 25.19 -999 ? O5' ADN A 501 >LEU~A 143 28.97 11.35 0.43 30.66 10.00 0.46 29.82 10.67 0.44 3 0 21.96 -999 ? O5' ADN A 501 >PRO~A 144 26.23 7.75 -2.43 26.34 8.39 -0.29 26.28 8.07 -1.36 3 0 25.86 -999 ? O5' ADN A 501 >LEU~A 145 25.17 5.82 4.29 25.32 5.69 6.44 25.25 5.76 5.37 3 0 22.38 -999 ? O3' ADN A 501 >GLU~A 146 26.90 3.01 -0.38 26.02 1.94 -1.96 26.46 2.48 -1.17 2 0 28.73 -999 ? O5' ADN A 501 >ARG~A 147 30.33 4.95 -2.33 33.28 4.16 -2.26 31.81 4.56 -2.29 2 0 25.15 -999 ? O5' ADN A 501 >VAL~A 148 31.91 5.59 4.33 31.09 6.75 6.01 31.50 6.17 5.17 3 0 18.83 -999 ? O5' ADN A 501 >GLY~A 149 32.87 1.95 4.87 32.05 1.98 4.79 32.46 1.96 4.83 1 0 20.85 -999 ? O5' ADN A 501 >ASP~A 150 32.49 -2.72 6.12 34.10 -2.86 4.76 33.29 -2.79 5.44 2 0 23.91 -999 ? O5' ADN A 501 >ARG~A 151 25.10 -2.87 6.64 24.32 -3.13 3.69 24.71 -3.00 5.16 2 0 28.76 -999 ? O5' ADN A 501 >LEU~A 152 29.46 -1.88 12.73 31.49 -1.17 12.89 30.48 -1.52 12.81 3 0 20.25 -999 ? O3' ADN A 501 >LEU~A 153 26.46 -6.61 13.61 26.28 -7.68 11.73 26.37 -7.14 12.67 3 0 26.49 -999 ? O3' ADN A 501 >SER~A 154 26.98 -3.55 17.10 28.92 -4.76 17.92 27.95 -4.16 17.51 2 0 21.98 -999 ? O3' ADN A 501 >TYR~A 155 25.78 0.81 18.89 23.23 0.86 20.02 24.50 0.84 19.45 3 0 19.11 -999 ? O3' ADN A 501 >GLU~A 156 31.82 0.54 22.37 32.01 -1.24 23.52 31.92 -0.35 22.94 2 0 16.93 -999 ? O2' ADN A 501 >VAL~A 157 26.42 1.31 24.72 24.45 0.41 24.46 25.43 0.86 24.59 3 0 18.38 -999 ? O2' ADN A 501 >LEU~A 158 26.23 4.93 27.93 27.72 6.48 27.73 26.97 5.70 27.83 3 0 14.24 -999 ? O2' ADN A 501 >LYS~A 159 25.18 1.46 30.85 28.93 -2.30 30.52 27.05 -0.42 30.68 2 0 19.87 -999 ? C2 ADN A 501 >MET?A 160 22.16 3.40 32.10 21.74 6.41 29.12 21.95 4.90 30.61 2 0 18.38 -999 ? O2' ADN A 501 >ARG~A 161 18.76 2.63 38.51 16.93 0.47 39.66 17.85 1.55 39.09 2 0 28.89 -999 ? N6 ADN C 503 >LYS~A 162 16.31 3.12 32.78 13.10 2.06 28.01 14.71 2.59 30.39 2 0 27.67 -999 ? O3' ADN A 501 >PRO~A 163 13.73 6.65 32.68 14.32 5.09 34.15 14.03 5.87 33.41 3 0 23.38 -999 ? N6 ADN C 503 >VAL^A 164 10.97 3.24 35.90 12.10 1.47 36.47 11.53 2.35 36.19 3 0 26.80 -999 ? N6 ADN C 503 >VAL^A 165 7.68 3.77 37.69 5.87 4.75 36.99 6.77 4.26 37.34 3 0 25.82 -999 ? N6 ADN C 503 >GLU^A 166 9.85 1.92 41.72 11.24 0.81 42.85 10.54 1.37 42.29 2 0 29.05 -999 ? N6 ADN C 503 >ASN~A 167 5.74 1.33 45.01 5.92 -0.78 44.73 5.83 0.27 44.87 2 0 31.95 -999 ? N6 ADN C 503 >GLU~A 168 2.09 4.89 45.55 1.74 4.94 47.64 1.91 4.91 46.60 2 0 29.21 -999 ? N6 ADN C 503 >LYS^A 169 7.05 7.05 42.61 11.58 4.81 46.46 9.31 5.93 44.53 2 0 26.28 -999 ? N6 ADN C 503 >VAL^A 170 9.44 7.48 39.71 8.39 9.02 38.59 8.91 8.25 39.15 3 0 21.55 -999 ? N6 ADN C 503 >ILE^A 171 13.69 5.52 40.60 14.56 4.33 40.47 14.13 4.93 40.54 3 0 24.44 -999 ? N6 ADN C 503 >GLY^A 172 15.72 8.44 37.71 15.97 8.59 38.48 15.84 8.52 38.10 1 0 20.71 -999 ? N6 ADN C 503 >GLU^A 173 20.04 8.34 37.24 20.95 7.13 35.77 20.50 7.73 36.51 2 0 21.39 -999 ? O2' ADN A 501 >VAL^A 174 19.77 14.20 36.76 20.29 15.90 38.03 20.03 15.05 37.39 3 0 15.26 -999 ? N6 ADN C 503 >ALA^A 175 20.63 14.38 33.06 19.60 14.04 31.99 20.12 14.21 32.52 2 0 16.21 -999 ? N7 ADN C 503 >ILE^A 176 20.88 18.51 31.14 21.05 18.77 29.76 20.97 18.64 30.45 3 0 12.89 -999 ? N7 ADN C 503 >VAL^A 177 21.72 21.22 34.65 22.49 21.45 36.70 22.10 21.33 35.68 3 0 11.24 -999 ? N6 ADN C 503 >ASP~A 178 20.01 24.55 31.55 18.44 25.42 32.67 19.23 24.98 32.11 2 0 5.65 -999 ? N7 ADN C 503 >THR~A 179 22.45 27.87 32.50 23.05 29.27 30.98 22.75 28.57 31.74 2 0 8.79 -999 ? C8 ADN C 503 >PHE~A 180 18.02 29.68 33.10 17.89 31.15 30.72 17.95 30.42 31.91 3 0 -3.65 -999 ? C8 ADN C 503s >GLY~A 181 20.30 25.97 37.25 19.67 25.91 36.67 19.99 25.94 36.96 1 0 7.07 -999 ? N6 ADN C 503 >ASN~A 182 16.40 24.43 34.83 15.50 26.36 34.83 15.95 25.39 34.83 2 0 -3.40 -999 ? N7 ADN C 503s >VAL^A 183 17.57 20.41 36.83 18.21 19.65 38.78 17.89 20.03 37.81 3 0 9.90 -999 ? N6 ADN C 503 >SER^A 184 16.39 18.20 33.97 15.74 17.69 31.72 16.07 17.95 32.84 2 0 11.86 -999 ? N7 ADN C 503 >THR^A 185 16.12 14.47 34.64 14.44 14.26 35.99 15.28 14.36 35.32 2 0 14.80 -999 ? N6 ADN C 503 >ASN^A 186 17.18 10.43 32.34 17.07 9.05 33.96 17.13 9.74 33.15 2 0 20.40 -999 ? N6 ADN C 503 >ILE^A 187 11.99 11.06 34.87 11.65 10.71 36.17 11.82 10.89 35.52 3 0 18.31 -999 ? N6 ADN C 503 >PRO^A 188 10.68 9.22 29.80 10.42 11.02 31.10 10.55 10.12 30.45 3 0 19.85 -999 ? N7 ADN C 503 >PHE~A 189 6.14 15.86 32.46 4.76 17.24 34.47 5.45 16.55 33.47 3 0 15.44 -999 ? N6 ADN C 503 >ASP~A 190 4.86 10.54 28.90 4.28 11.92 27.41 4.57 11.23 28.15 2 0 19.74 -999 ? O5' ADN C 503 >LEU~A 191 7.65 7.99 32.62 8.43 6.10 33.31 8.04 7.04 32.97 3 0 23.07 -999 ? N6 ADN C 503 >PHE~A 192 5.93 12.94 36.76 5.08 14.50 38.93 5.51 13.72 37.85 3 0 17.55 -999 ? N6 ADN C 503 >LEU~A 193 1.72 11.92 33.02 1.52 14.03 32.63 1.62 12.98 32.82 3 0 20.61 -999 ? N6 ADN C 503 >LYS~A 194 1.44 7.65 35.01 3.77 4.62 29.99 2.60 6.13 32.50 2 0 26.90 -999 ? O5' ADN C 503 >LEU~A 195 2.85 9.02 39.43 4.78 8.23 39.99 3.81 8.63 39.71 3 0 23.02 -999 ? N6 ADN C 503 >SER~A 196 -1.75 9.84 38.39 -2.28 8.66 40.46 -2.01 9.25 39.42 2 0 26.35 -999 ? N6 ADN C 503 >VAL~A 197 -0.48 13.33 39.18 1.65 12.95 39.39 0.58 13.14 39.28 3 0 20.96 -999 ? N6 ADN C 503 >ASP~A 198 -3.13 16.56 37.51 -3.88 17.97 36.13 -3.51 17.27 36.82 2 0 21.01 -999 ? N6 ADN C 503 >PHE~A 199 -0.13 20.79 35.07 1.52 20.02 32.94 0.69 20.40 34.00 3 0 16.05 -999 ? N6 ADN C 503 >ASP~A 200 -3.02 22.19 40.67 -3.39 23.77 39.33 -3.20 22.98 40.00 2 0 17.83 -999 ? N1 ADN C 503 >ASP~A 201 -0.58 17.29 42.13 -2.46 16.28 42.10 -1.52 16.79 42.11 2 0 21.53 -999 ? N6 ADN C 503 >VAL^A 202 2.30 18.72 45.02 2.53 20.10 46.69 2.41 19.41 45.86 3 0 17.68 -999 ? N6 ADN C 503 >VAL^A 203 4.92 16.00 44.94 5.18 15.80 42.77 5.05 15.90 43.85 3 0 17.47 -999 ? N6 ADN C 503 >ARG^A 204 7.05 13.79 50.47 7.35 15.77 52.81 7.20 14.78 51.64 2 0 21.99 -999 ? N6 ADN C 503 >VAL^A 205 11.44 15.40 45.32 11.98 16.81 43.76 11.71 16.11 44.54 3 0 15.35 -999 ? N6 ADN C 503 >ARG^A 206 14.15 10.11 49.26 14.81 7.19 48.59 14.48 8.65 48.92 2 0 24.95 -999 ? N6 ADN C 503 >VAL^A 207 17.80 13.95 46.46 17.75 16.08 45.92 17.77 15.01 46.19 3 0 17.42 -999 ? N6 ADN C 503 >GLY~A 208 20.15 11.81 48.51 19.34 11.97 48.62 19.74 11.89 48.57 1 0 21.85 -999 ? N6 ADN C 503 >ARG~A 209 20.54 9.89 53.59 21.27 7.03 54.43 20.90 8.46 54.01 2 0 29.26 -999 ? N6 ADN C 503 >LYS^A 210 16.93 15.39 51.49 21.36 19.60 49.91 19.14 17.50 50.70 2 0 17.92 -999 ? N6 ADN C 503 >GLU^A 211 11.05 14.43 50.71 9.84 13.06 51.78 10.45 13.74 51.24 2 0 22.44 -999 ? N6 ADN C 503 >PHE^A 212 13.73 19.78 48.46 16.45 20.22 48.92 15.09 20.00 48.69 3 0 15.15 -999 ? N6 ADN C 503 >LYS^A 213 7.92 19.50 48.39 5.89 18.83 53.44 6.90 19.17 50.92 2 0 21.30 -999 ? N6 ADN C 503 >ALA^A 214 7.35 20.86 44.90 8.47 20.39 43.97 7.91 20.62 44.43 2 0 12.64 -999 ? N6 ADN C 503 >ALA^A 215 4.31 22.09 43.03 3.80 23.52 43.06 4.05 22.81 43.04 2 0 13.27 -999 ? N6 ADN C 503 >VAL^A 216 3.61 20.47 39.67 3.09 18.42 39.20 3.35 19.45 39.43 3 0 14.60 -999 ? N6 ADN C 503 >ALA~A 217 3.28 23.44 37.31 3.74 24.73 37.99 3.51 24.08 37.65 2 0 11.00 -999 ? N1 ADN C 503 >LYS~A 218 3.34 24.44 33.66 -2.63 24.10 31.54 0.35 24.27 32.60 2 0 16.25 -999 ? O5' ADN C 503 >ALA~A 219 5.33 27.68 33.88 4.65 28.90 33.25 4.99 28.29 33.57 2 0 8.38 -999 ? N3 ADN C 503 >PHE~A 220 10.14 28.86 34.83 11.64 27.28 33.06 10.89 28.07 33.94 3 0 -3.51 -999 ? C5 ADN C 503s >GLY~A 221 5.78 31.99 37.02 5.53 31.24 37.02 5.65 31.62 37.02 1 0 6.49 -999 ? C2 ADN C 503 >ASP~A 222 2.62 28.35 37.63 1.94 28.59 35.66 2.28 28.47 36.65 2 0 10.71 -999 ? C2 ADN C 503 >VAL~A 223 4.64 29.66 41.70 5.95 27.91 41.50 5.30 28.78 41.60 3 0 9.30 -999 ? N1 ADN C 503 >ASP~A 224 5.71 32.79 45.25 3.64 32.92 45.67 4.67 32.85 45.46 2 0 13.11 -999 ? N1 ADN C 503 >THR~A 225 9.49 33.81 43.20 9.40 35.96 43.45 9.45 34.89 43.32 2 0 9.24 -999 ? C2 ADN C 503 >GLY~A 226 12.09 31.49 44.69 11.42 31.20 44.43 11.75 31.34 44.56 1 0 8.40 -999 ? N1 ADN C 503 >GLU~A 227 7.70 29.50 46.20 8.45 28.92 48.09 8.07 29.21 47.15 2 0 12.66 -999 ? N1 ADN C 503 >LEU^A 228 10.86 23.81 44.47 12.81 23.10 45.05 11.83 23.46 44.76 3 0 10.13 -999 ? N6 ADN C 503 >LEU^A 229 7.82 24.57 39.82 8.74 25.90 38.39 8.28 25.23 39.11 3 0 7.30 -999 ? N6 ADN C 503 >VAL^A 230 8.23 20.28 38.74 8.26 18.22 39.44 8.25 19.25 39.09 3 0 11.62 -999 ? N6 ADN C 503 >HIS^A 231 8.71 22.65 34.38 10.53 23.41 33.67 9.62 23.03 34.02 3 0 7.85 -999 ? N6 ADN C 503 >PRO^A 232 5.86 19.83 30.99 7.73 19.48 32.19 6.79 19.66 31.59 3 0 12.35 -999 ? O5' ADN C 503 >ASP~A 233 12.56 20.41 30.18 13.16 18.56 29.32 12.86 19.49 29.75 2 0 11.64 -999 ? N7 ADN C 503 >SER~A 234 11.17 21.64 26.26 13.41 22.48 25.78 12.29 22.06 26.02 2 0 7.99 -999 ? O5' ADN C 503 >ALA~A 235 12.14 18.09 25.26 13.60 17.66 25.33 12.87 17.87 25.30 2 0 12.78 -999 ? O5' ADN C 503 >GLY~A 236 9.40 16.32 27.20 10.08 16.46 27.56 9.74 16.39 27.38 1 0 14.04 -999 ? O5' ADN C 503 >PHE^A 237 13.44 14.25 29.27 14.27 12.23 27.51 13.85 13.24 28.39 3 0 16.91 -999 ? N7 ADN C 503 >LEU^A 238 10.28 14.94 34.96 9.96 15.12 37.10 10.12 15.03 36.03 3 0 14.54 -999 ? N6 ADN C 503 >GLU^A 239 13.82 21.19 34.42 14.16 22.53 32.81 13.99 21.86 33.61 2 0 6.85 -999 ? N7 ADN C 503 >ILE^A 240 13.50 19.94 39.78 13.48 19.10 40.18 13.49 19.52 39.98 3 0 10.12 -999 ? N6 ADN C 503 >ALA^A 241 13.19 24.44 38.62 12.67 25.10 37.35 12.93 24.77 37.99 2 0 4.22 -999 ? N6 ADN C 503 >VAL^A 242 13.11 27.32 41.10 14.32 27.59 42.91 13.71 27.46 42.00 3 0 -5.65 -999 ? N6 ADN C 503s >ASN~A 243 9.69 30.66 40.22 8.97 32.41 39.28 9.33 31.53 39.75 2 0 4.87 -999 ? C2 ADN C 503 >LEU~A 244 12.93 34.31 39.67 12.01 35.82 38.40 12.47 35.07 39.04 3 0 -4.67 -999 ? C2 ADN C 503s >GLY~A 245 16.21 30.95 41.05 16.04 30.60 40.31 16.13 30.78 40.68 1 0 5.35 -999 ? N6 ADN C 503 >ASP~A 246 20.16 28.43 40.98 21.51 27.01 40.16 20.84 27.72 40.57 2 0 8.59 -999 ? N6 ADN C 503 >ALA~A 247 17.31 24.58 41.44 16.34 23.82 40.52 16.82 24.20 40.98 2 0 6.96 -999 ? N6 ADN C 503 >SER~A 248 20.70 22.86 41.26 22.31 24.22 40.02 21.50 23.54 40.64 2 0 10.22 -999 ? N6 ADN C 503 >GLN~A 249 23.13 27.07 43.14 23.38 29.19 43.11 23.26 28.13 43.13 2 0 11.46 -999 ? N6 ADN C 503 >VAL~A 250 18.64 24.68 46.21 16.67 25.61 46.21 17.66 25.15 46.21 3 0 11.02 -999 ? N6 ADN C 503 >LEU~A 251 18.10 20.19 44.53 16.03 20.04 43.92 17.06 20.12 44.23 3 0 12.15 -999 ? N6 ADN C 503 >SER~A 252 22.41 20.83 45.94 24.05 20.36 47.66 23.23 20.59 46.80 2 0 17.31 -999 ? N6 ADN C 503 >VAL~A 253 22.51 18.39 43.04 20.88 17.69 41.76 21.70 18.04 42.40 3 0 14.65 -999 ? N6 ADN C 503 >LYS~A 254 24.73 17.73 40.04 27.60 14.94 43.63 26.17 16.34 41.84 2 0 20.84 -999 ? N6 ADN C 503 >GLU~A 255 24.31 17.23 34.82 25.46 18.28 33.40 24.88 17.76 34.11 2 0 15.34 -999 ? O2' ADN A 501 >GLY~A 256 24.41 11.98 37.43 23.92 12.44 37.90 24.17 12.21 37.66 1 0 18.57 -999 ? O2' ADN A 501 >ASP~A 257 22.74 13.49 41.72 24.60 14.22 42.38 23.67 13.85 42.05 2 0 19.14 -999 ? N6 ADN C 503 >GLU^A 258 20.93 7.48 42.06 20.81 5.76 43.29 20.87 6.62 42.68 2 0 25.17 -999 ? N6 ADN C 503 >ILE^A 259 16.50 12.81 41.09 15.78 13.81 40.41 16.14 13.31 40.75 3 0 16.42 -999 ? N6 ADN C 503 >GLU^A 260 12.06 8.90 45.02 12.28 7.79 46.81 12.17 8.34 45.92 2 0 23.64 -999 ? N6 ADN C 503 >ILE^A 261 9.60 12.50 41.51 9.65 13.52 40.60 9.62 13.01 41.06 3 0 17.20 -999 ? N6 ADN C 503 >CYH^A 262 7.11 10.55 45.16 8.60 9.14 47.10 7.86 9.84 46.13 2 0 23.14 -999 ? N6 ADN C 503 >ARG~A 263 0.33 11.26 43.55 -0.33 14.16 44.29 0.00 12.71 43.92 2 0 22.03 -999 ? N6 ADN C 503 >MET?B 1 36.26 33.34 3.79 37.13 29.43 5.41 36.69 31.38 4.60 2 0 20.10 -999 ? C5' ADN A 501 >ILE^B 2 36.31 36.73 7.12 36.16 38.18 7.07 36.24 37.45 7.10 3 0 16.25 -999 ? O3' ADN B 502 >GLY^B 3 38.86 34.12 9.99 38.69 34.99 9.84 38.77 34.56 9.92 1 0 15.35 -999 ? O3' ADN B 502 >PHE^B 4 35.76 37.81 13.58 34.90 40.29 14.59 35.33 39.05 14.09 3 0 10.37 -999 ? O3' ADN B 502 >LEU^B 5 41.33 36.02 15.84 42.69 35.22 17.34 42.01 35.62 16.59 3 0 10.19 -999 ? O3' ADN B 502 >THR^B 6 39.55 39.05 18.98 37.54 39.66 18.44 38.54 39.35 18.71 2 0 6.46 -999 ? O3' ADN B 502 >ASP~B 7 40.93 40.27 23.33 40.98 42.36 22.98 40.95 41.32 23.15 2 0 -2.94 -999 ? O2' ADN B 502s >TRP~B 8 37.49 42.88 20.73 35.79 43.40 17.21 36.64 43.14 18.97 3 0 -4.52 -999 ? C5' ADN B 502s >GLY~B 9 34.43 38.00 24.24 34.22 38.37 23.51 34.32 38.18 23.87 1 0 9.60 -999 ? C3' ADN B 502 >LEU~B 10 30.96 34.99 22.79 31.32 34.05 20.87 31.14 34.52 21.83 3 0 13.99 -999 ? O3' ADN B 502 >LYS~B 11 29.30 38.00 26.01 27.16 38.85 30.86 28.23 38.43 28.44 2 0 13.55 -999 ? O2' ADN C 503 >SER~B 12 29.29 41.52 24.58 30.85 42.72 25.99 30.07 42.12 25.29 2 0 9.54 -999 ? C8 ADN B 502 >HIS~B 13 26.62 45.05 21.81 27.24 46.97 22.41 26.93 46.01 22.11 3 0 11.67 -999 ? C5' ADN B 502 >TYR~B 14 31.96 45.02 21.83 31.95 46.70 24.07 31.95 45.86 22.95 3 0 7.07 -999 ? C5' ADN B 502 >VAL~B 15 31.24 40.69 17.94 32.06 38.71 18.37 31.65 39.70 18.15 3 0 10.24 -999 ? C5' ADN B 502 >GLY~B 16 27.67 40.83 16.64 28.22 41.42 16.59 27.95 41.12 16.61 1 0 12.96 -999 ? C5' ADN B 502 >VAL~B 17 27.76 44.42 15.38 27.75 45.81 17.06 27.76 45.12 16.22 3 0 11.59 -999 ? C5' ADN B 502 >ALA~B 18 31.11 43.78 13.71 32.38 43.23 14.37 31.75 43.50 14.04 2 0 9.31 -999 ? C5' ADN B 502 >LYS~B 19 29.56 40.83 11.84 30.24 35.18 14.66 29.90 38.00 13.25 2 0 15.47 -999 ? O3' ADN B 502 >ALA~B 20 26.52 42.93 10.90 25.63 43.71 11.86 26.08 43.32 11.38 2 0 15.69 -999 ? O5' ADN B 502 >VAL~B 21 28.90 45.45 9.34 30.13 47.08 10.11 29.52 46.26 9.72 3 0 13.55 -999 ? O5' ADN B 502 >ILE~B 22 31.43 41.53 7.90 32.57 40.74 8.14 32.00 41.13 8.02 3 0 15.10 -999 ? C5' ADN B 502 >LYS~B 23 27.35 41.34 6.20 26.99 35.92 5.93 27.17 38.63 6.07 2 0 21.50 -999 ? C5' ADN B 502 >ARG~B 24 24.84 46.92 8.13 23.78 49.78 8.43 24.31 48.35 8.28 2 0 18.52 -999 ? O5' ADN B 502 >ILE~B 25 30.56 45.31 3.40 31.78 46.07 3.50 31.17 45.69 3.45 3 0 18.05 -999 ? O5' ADN B 502 >ASN~B 26 30.31 40.99 1.45 30.23 39.26 0.19 30.27 40.13 0.82 2 0 23.10 -999 ? O5' ADN B 502 >PRO~B 27 24.64 41.28 1.38 26.26 39.98 2.18 25.45 40.63 1.78 3 0 23.47 -999 ? O5' ADN B 502 >SER~B 28 27.54 36.40 1.13 26.56 36.29 -1.10 27.05 36.34 0.01 2 0 26.76 -999 ? C5' ADN B 502 >ALA~B 29 30.55 36.80 3.43 30.91 38.04 4.24 30.73 37.42 3.83 2 0 19.93 -999 ? C5' ADN B 502 >GLU~B 30 32.17 31.06 5.18 30.34 30.39 5.98 31.25 30.72 5.58 2 0 22.11 -999 ? C5' ADN A 501 >ILE^B 31 32.00 35.57 9.49 31.87 36.92 9.89 31.93 36.24 9.69 3 0 16.51 -999 ? C5' ADN B 502 >ILE^B 32 35.26 30.66 10.07 35.35 29.21 9.65 35.30 29.94 9.86 3 0 17.83 -999 ? C5' ADN A 501 >ASP^B 33 34.14 32.61 15.49 32.60 34.01 15.15 33.37 33.31 15.32 2 0 14.60 -999 ? O3' ADN B 502 >ILE^B 34 39.97 32.13 14.99 41.28 32.05 14.30 40.63 32.09 14.64 3 0 14.13 -999 ? O3' ADN B 502 >THR^B 35 38.06 32.72 18.95 39.56 32.55 20.50 38.81 32.63 19.73 2 0 12.25 -999 ? O3' ADN B 502 >HIS~B 36 35.11 36.43 19.01 34.92 36.78 16.95 35.02 36.60 17.98 3 0 10.33 -999 ? O3' ADN B 502 >GLU~B 37 36.22 32.89 24.17 34.72 34.31 24.60 35.47 33.60 24.39 2 0 12.55 -999 ? O3' ADN B 502 >VAL~B 38 41.69 35.78 23.92 43.15 36.35 22.41 42.42 36.06 23.17 3 0 9.13 -999 ? O3' ADN B 502 >GLU~B 39 43.80 35.49 28.83 43.75 33.89 27.44 43.77 34.69 28.14 2 0 12.20 -999 ? O2' ADN B 502 >PRO~B 40 40.29 40.67 28.74 42.01 40.30 27.38 41.15 40.48 28.06 3 0 6.74 -999 ? O2' ADN B 502 >PHE~B 41 44.19 44.53 27.27 42.15 45.62 28.84 43.17 45.07 28.06 3 0 -4.31 -999 ? C2 ADN B 502s >ASN~B 42 46.63 38.36 25.92 48.33 37.13 26.27 47.48 37.75 26.09 2 0 10.81 -999 ? O2' ADN B 502 >VAL~B 43 48.54 40.18 21.79 49.47 42.15 21.74 49.01 41.17 21.76 3 0 8.41 -999 ? O2' ADN B 502 >ARG~B 44 54.08 36.41 24.86 56.06 38.55 23.87 55.07 37.48 24.36 2 0 15.76 -999 ? O2' ADN B 502 >LYS~B 45 48.54 34.76 23.00 44.98 31.49 25.40 46.76 33.13 24.20 2 0 14.22 -999 ? O2' ADN B 502 >ALA~B 46 46.59 36.01 19.99 46.04 37.42 19.82 46.31 36.71 19.90 2 0 9.16 -999 ? O3' ADN B 502 >SER~B 47 49.69 35.81 17.78 51.75 35.91 19.09 50.72 35.86 18.44 2 0 14.24 -999 ? O2' ADN B 502 >HIS~B 48 52.01 31.84 20.23 54.06 32.18 20.55 53.03 32.01 20.39 3 0 17.57 -999 ? O2' ADN B 502 >VAL~B 49 46.44 31.24 18.24 44.64 31.32 19.48 45.54 31.28 18.86 3 0 14.47 -999 ? O3' ADN B 502 >LEU~B 50 46.75 34.51 14.67 46.28 35.69 12.91 46.52 35.10 13.79 3 0 13.36 -999 ? O3' ADN B 502 >TYR~B 51 51.47 30.04 13.29 52.98 28.04 12.04 52.22 29.04 12.66 3 0 19.61 -999 ? O5' ADN A 501 >ARG~B 52 49.37 26.93 18.20 51.63 26.20 20.15 50.50 26.57 19.18 2 0 14.69 -999 ? N7 ADN A 501 >ALA~B 53 44.45 28.25 13.37 43.44 29.25 13.90 43.94 28.75 13.64 2 0 15.35 -999 ? C5' ADN A 501 >SER~B 54 45.67 29.70 10.04 47.95 30.52 10.31 46.81 30.11 10.18 2 0 19.19 -999 ? O3' ADN B 502 >LEU~B 55 48.13 25.50 10.20 50.26 25.55 10.65 49.19 25.52 10.43 3 0 16.42 -999 ? O5' ADN A 501 >ASP~B 56 43.14 24.17 9.75 44.28 22.61 10.64 43.71 23.39 10.19 2 0 12.20 -999 ? O5' ADN A 501 >PHE~B 57 41.30 29.40 8.17 39.30 29.87 10.08 40.30 29.63 9.13 3 0 17.64 -999 ? C5' ADN A 501 >PRO~B 58 40.60 28.23 2.62 42.61 27.78 3.50 41.61 28.00 3.06 3 0 20.79 -999 ? O5' ADN A 501 >PRO~B 59 45.21 28.57 -0.76 44.74 29.66 1.13 44.97 29.11 0.19 3 0 24.19 -999 ? O5' ADN A 501 >SER~B 60 43.37 33.57 0.05 43.52 33.12 -2.34 43.44 33.34 -1.14 2 0 26.17 -999 ? O3' ADN B 502 >THR~B 61 41.72 33.53 3.47 41.28 32.07 5.02 41.50 32.80 4.24 2 0 20.36 -999 ? O3' ADN B 502 >VAL^B 62 41.27 36.98 4.99 40.52 38.76 3.99 40.89 37.87 4.49 3 0 17.82 -999 ? O3' ADN B 502 >PHE^B 63 43.38 35.08 9.00 43.73 32.38 8.37 43.55 33.73 8.68 3 0 16.73 -999 ? O3' ADN B 502 >LEU^B 64 38.80 40.12 10.77 37.86 42.01 11.20 38.33 41.07 10.99 3 0 10.85 -999 ? O3' ADN B 502 >VAL^B 65 42.54 40.04 13.89 44.34 38.82 13.92 43.44 39.43 13.90 3 0 9.24 -999 ? O3' ADN B 502 >VAL^B 66 41.57 42.59 16.52 40.23 44.18 15.80 40.90 43.38 16.16 3 0 -4.97 -999 ? O3' ADN B 502s >VAL~B 67 43.29 42.58 19.92 44.12 40.83 20.91 43.71 41.71 20.42 3 0 -4.34 -999 ? O3' ADN B 502s >ASP~B 68 43.11 46.88 18.69 43.82 48.71 17.96 43.46 47.80 18.33 2 0 -5.55 -999 ? C4' ADN B 502s >TYR~B 69 47.07 47.27 23.82 49.69 47.16 22.85 48.38 47.22 23.33 3 0 -6.59 -999 ? N3 ADN B 502s >GLY~B 70 46.15 50.83 21.43 45.46 50.49 21.16 45.80 50.66 21.29 1 0 6.07 -999 ? N3 ADN B 502 >VAL~B 71 42.95 51.55 19.54 40.84 51.27 20.02 41.89 51.41 19.78 3 0 4.68 -999 ? O5' ADN B 502 >GLY~B 72 42.58 55.25 18.77 43.29 54.91 18.79 42.94 55.08 18.78 1 0 8.15 -999 ? O5' ADN B 502 >THR~B 73 46.30 55.97 19.09 47.08 54.48 20.45 46.69 55.23 19.77 2 0 9.13 -999 ? N3 ADN B 502 >SER~B 74 49.02 56.62 16.50 51.08 56.97 17.74 50.05 56.79 17.12 2 0 14.42 -999 ? N3 ADN B 502 >ARG~B 75 47.06 50.47 16.27 44.31 51.45 15.30 45.68 50.96 15.79 2 0 8.09 -999 ? O5' ADN B 502 >LYS~B 76 49.15 51.93 12.45 53.08 54.93 10.34 51.12 53.43 11.39 2 0 18.72 -999 ? O5' ADN B 502 >ALA^B 77 46.21 49.90 11.08 44.85 50.55 10.87 45.53 50.22 10.97 2 0 11.28 -999 ? O5' ADN B 502 >ILE^B 78 49.05 47.16 8.66 50.19 46.96 9.55 49.62 47.06 9.11 3 0 15.03 -999 ? O3' ADN B 502 >VAL^B 79 46.91 44.70 6.00 45.24 44.64 4.64 46.07 44.67 5.32 3 0 16.53 -999 ? O3' ADN B 502 >MET?B 80 49.62 42.07 5.64 52.26 39.85 8.14 50.94 40.96 6.89 2 0 17.96 -999 ? O3' ADN B 502 >LYS^B 81 49.86 39.41 2.96 49.26 37.20 -2.90 49.56 38.30 0.03 2 0 26.44 -999 ? O3' ADN B 502 >THR^B 82 52.07 36.43 3.74 51.15 35.61 5.51 51.61 36.02 4.62 2 0 20.78 -999 ? O3' ADN B 502 >LYS~B 83 53.92 34.23 1.26 60.01 35.95 0.80 56.96 35.09 1.03 2 0 29.28 -999 ? O3' ADN B 502 >ASN~B 84 51.35 30.64 3.23 50.12 31.67 4.61 50.73 31.15 3.92 2 0 22.96 -999 ? O3' ADN B 502 >ASP~B 85 48.47 32.76 -0.96 50.02 32.62 -2.40 49.25 32.69 -1.68 2 0 27.92 -999 ? O3' ADN B 502 >GLN~B 86 46.65 32.26 4.34 46.56 31.01 6.08 46.60 31.64 5.21 2 0 21.07 -999 ? O3' ADN B 502 >TYR^B 87 45.18 38.65 1.87 45.97 38.34 -0.80 45.57 38.50 0.54 3 0 21.89 -999 ? O3' ADN B 502 >PHE^B 88 47.23 37.74 8.51 47.75 35.00 8.27 47.49 36.37 8.39 3 0 16.57 -999 ? O3' ADN B 502 >VAL^B 89 43.82 42.80 8.72 42.04 43.52 7.69 42.93 43.16 8.20 3 0 13.03 -999 ? O3' ADN B 502 >ALA^B 90 45.06 44.08 12.06 45.80 42.86 12.60 45.43 43.47 12.33 2 0 9.98 -999 ? O3' ADN B 502 >PRO^B 91 45.86 45.53 16.07 46.28 46.19 13.98 46.07 45.86 15.03 3 0 8.10 -999 ? O3' ADN B 502 >ASP~B 92 51.09 48.22 13.02 53.19 48.02 12.83 52.14 48.12 12.92 2 0 15.29 -999 ? O3' ADN B 502 >ASN~B 93 49.93 46.17 18.37 48.37 44.71 18.17 49.15 45.44 18.27 2 0 8.20 -999 ? O3' ADN B 502 >GLY~B 94 52.87 42.63 16.97 52.10 42.64 16.83 52.49 42.63 16.90 1 0 13.01 -999 ? O2' ADN B 502 >VAL~B 95 49.83 40.37 16.80 47.70 40.48 16.30 48.76 40.42 16.55 3 0 10.19 -999 ? O3' ADN B 502 >LEU~B 96 50.74 40.10 12.04 48.77 40.55 11.27 49.76 40.32 11.66 3 0 13.73 -999 ? O3' ADN B 502 >THR~B 97 54.46 38.38 14.52 55.73 39.01 16.17 55.09 38.69 15.34 2 0 16.83 -999 ? O3' ADN B 502 >VAL~B 98 54.09 34.61 14.34 53.63 33.17 15.91 53.86 33.89 15.13 3 0 18.06 -999 ? O3' ADN B 502 >VAL~B 99 52.37 34.33 10.94 50.35 35.15 10.99 51.36 34.74 10.97 3 0 17.72 -999 ? O3' ADN B 502 >ALA~B 100 54.90 36.83 9.52 55.19 38.22 10.08 55.04 37.52 9.80 2 0 19.28 -999 ? O3' ADN B 502 >GLU~B 101 58.24 36.01 12.98 59.45 36.09 14.72 58.85 36.05 13.85 2 0 21.61 -999 ? O3' ADN B 502 >GLU~B 102 55.63 30.53 12.17 56.90 28.90 12.63 56.27 29.71 12.40 2 0 22.72 -999 ? O5' ADN A 501 >TYR~B 103 52.56 31.65 7.02 50.67 29.94 8.19 51.61 30.80 7.61 3 0 22.19 -999 ? O3' ADN B 502 >GLY~B 104 57.14 35.19 5.51 56.28 35.24 5.63 56.71 35.22 5.57 1 0 24.52 -999 ? O3' ADN B 502 >VAL^B 105 55.88 38.60 4.46 55.73 40.30 5.80 55.81 39.45 5.13 3 0 22.53 -999 ? O3' ADN B 502 >ALA^B 106 54.83 39.27 0.87 53.66 38.54 0.22 54.25 38.90 0.55 2 0 25.24 -999 ? O3' ADN B 502 >GLU^B 107 52.63 44.63 -0.16 52.19 45.05 -2.20 52.41 44.84 -1.18 2 0 25.86 -999 ? O3' ADN B 502 >ILE^B 108 53.08 45.53 5.19 53.46 45.24 6.56 53.27 45.38 5.88 3 0 19.66 -999 ? O3' ADN B 502 >ARG^B 109 49.63 48.36 0.09 50.55 48.89 -2.77 50.09 48.62 -1.34 2 0 25.68 -999 ? O5' ADN B 502 >GLU^B 110 49.13 52.71 7.43 49.91 54.63 7.89 49.52 53.67 7.66 2 0 17.75 -999 ? O5' ADN B 502 >ILE~B 111 43.97 50.65 6.78 42.95 49.65 7.12 43.46 50.15 6.95 3 0 13.96 -999 ? O5' ADN B 502 >GLU~B 112 47.07 55.07 4.38 48.80 55.80 3.40 47.93 55.44 3.89 2 0 20.83 -999 ? O5' ADN B 502 >ASN~B 113 41.51 53.28 0.78 40.04 53.66 -0.69 40.77 53.47 0.04 2 0 21.24 -999 ? O5' ADN B 502 >ARG~B 114 39.88 59.23 5.55 39.48 58.77 8.56 39.68 59.00 7.05 2 0 15.35 -999 ? O5' ADN B 502 >GLU~B 115 36.56 56.37 -0.65 34.97 57.59 0.00 35.76 56.98 -0.33 2 0 22.10 -999 ? O5' ADN B 502 >LEU~B 116 38.06 50.61 2.78 39.12 49.93 1.05 38.59 50.27 1.91 3 0 17.99 -999 ? O5' ADN B 502 >PHE~B 117 37.34 53.97 7.05 40.10 54.32 7.45 38.72 54.15 7.25 3 0 13.82 -999 ? O5' ADN B 502 >TYR~B 118 30.54 50.92 9.71 27.96 50.72 10.77 29.25 50.82 10.24 3 0 13.40 -999 ? O5' ADN B 502 >LYS~B 119 31.52 55.43 8.68 29.35 54.78 14.03 30.43 55.10 11.35 2 0 12.44 -999 ? O5' ADN B 502 >LYS~B 120 33.22 58.71 7.76 30.25 62.54 3.69 31.74 60.63 5.73 2 0 22.91 -999 ? O5' ADN B 502 >ASN~B 121 33.60 60.61 12.06 33.21 62.24 10.74 33.41 61.42 11.40 2 0 17.33 -999 ? O5' ADN B 502 >PRO~B 122 36.79 55.92 11.21 35.36 56.78 12.69 36.07 56.35 11.95 3 0 11.41 -999 ? O5' ADN B 502 >SER~B 123 34.83 55.79 16.86 34.74 53.39 17.21 34.79 54.59 17.03 2 0 6.68 -999 ? O5' ADN B 502 >PHE~B 124 37.65 58.87 19.70 36.98 61.49 18.97 37.32 60.18 19.34 3 0 11.84 -999 ? O5' ADN B 502 >THR~B 125 37.84 52.98 20.60 37.32 53.68 22.57 37.58 53.33 21.59 2 0 -6.06 -999 ? O5' ADN B 502s >PHE~B 126 34.04 49.12 18.19 32.94 46.55 17.89 33.49 47.83 18.04 3 0 -5.18 -999 ? O5' ADN B 502s >HIS~B 127 40.10 52.22 15.13 40.42 54.26 15.49 40.26 53.24 15.31 3 0 6.89 -999 ? O5' ADN B 502 >GLY~B 128 37.38 46.82 14.86 36.92 47.52 14.65 37.15 47.17 14.75 1 0 5.28 -999 ? O5' ADN B 502 >ARG~B 129 30.48 49.28 14.93 30.14 51.89 16.52 30.31 50.58 15.73 2 0 9.49 -999 ? O5' ADN B 502 >ASP~B 130 34.62 52.41 12.56 32.99 52.62 13.89 33.80 52.52 13.23 2 0 9.02 -999 ? O5' ADN B 502 >ILE~B 131 39.09 50.98 10.70 40.02 52.10 10.68 39.55 51.54 10.69 3 0 9.72 -999 ? O5' ADN B 502 >PHE~B 132 40.96 46.69 12.18 43.21 47.99 13.21 42.09 47.34 12.69 3 0 8.11 -999 ? O5' ADN B 502 >ALA~B 133 35.88 44.80 9.80 34.64 44.90 10.70 35.26 44.85 10.25 2 0 10.42 -999 ? O5' ADN B 502 >PRO~B 134 35.12 48.69 7.89 34.98 46.53 7.36 35.05 47.61 7.63 3 0 12.64 -999 ? O5' ADN B 502 >VAL~B 135 38.32 46.49 5.20 40.22 47.52 5.46 39.27 47.00 5.33 3 0 14.57 -999 ? O5' ADN B 502 >ALA~B 136 38.41 42.72 5.73 38.29 42.02 7.08 38.35 42.37 6.41 2 0 14.19 -999 ? C5' ADN B 502 >ALA~B 137 34.96 42.48 4.14 33.72 43.23 4.61 34.34 42.86 4.38 2 0 16.69 -999 ? O5' ADN B 502 >HIS~B 138 35.51 46.84 1.20 33.88 48.16 1.28 34.70 47.50 1.24 3 0 18.94 -999 ? O5' ADN B 502 >LEU~B 139 40.45 42.24 1.74 42.16 43.54 1.98 41.31 42.89 1.86 3 0 19.00 -999 ? O5' ADN B 502 >ASP~B 140 36.43 38.82 2.19 35.65 36.86 2.04 36.04 37.84 2.12 2 0 21.07 -999 ? O3' ADN B 502 >MET?B 141 35.19 40.57 -1.92 31.81 43.12 -1.45 33.50 41.84 -1.68 2 0 22.84 -999 ? O5' ADN B 502 >GLY~B 142 38.22 40.85 -4.16 38.15 41.46 -3.65 38.19 41.15 -3.90 1 0 25.12 -999 ? O5' ADN B 502 >LEU~B 143 39.17 45.21 -2.13 39.53 47.34 -1.97 39.35 46.27 -2.05 3 0 21.99 -999 ? O5' ADN B 502 >PRO~B 144 41.94 45.30 -6.77 42.28 44.74 -4.65 42.11 45.02 -5.71 3 0 26.02 -999 ? O5' ADN B 502 >LEU~B 145 46.85 44.10 -1.95 47.74 43.45 -0.10 47.30 43.77 -1.03 3 0 22.97 -999 ? O3' ADN B 502 >GLU~B 146 46.77 48.07 -6.33 47.75 48.25 -8.22 47.26 48.16 -7.28 2 0 29.57 -999 ? O5' ADN B 502 >ARG~B 147 41.21 48.86 -5.91 38.31 49.84 -6.05 39.76 49.35 -5.98 2 0 25.89 -999 ? O5' ADN B 502 >VAL~B 148 44.09 49.69 0.63 44.21 48.00 2.01 44.15 48.85 1.32 3 0 19.39 -999 ? O5' ADN B 502 >GLY~B 149 46.85 52.29 0.95 47.15 51.62 0.51 47.00 51.95 0.73 1 0 21.06 -999 ? O5' ADN B 502 >ASP~B 150 51.38 54.00 0.92 50.74 55.66 -0.20 51.06 54.83 0.36 2 0 24.65 -999 ? O5' ADN B 502 >ARG~B 151 54.74 47.99 -1.77 57.68 48.62 -2.45 56.21 48.31 -2.11 2 0 29.19 -999 ? O3' ADN B 502 >LEU~B 152 54.08 49.44 5.81 52.81 50.92 6.75 53.44 50.18 6.28 3 0 20.20 -999 ? O3' ADN B 502 >LEU~B 153 59.60 49.00 4.10 59.74 49.24 1.96 59.67 49.12 3.03 3 0 26.49 -999 ? O3' ADN B 502 >SER~B 154 58.42 47.32 8.44 58.85 49.49 9.45 58.63 48.40 8.94 2 0 22.05 -999 ? O3' ADN B 502 >TYR~B 155 55.83 43.81 10.65 57.12 41.33 10.66 56.47 42.57 10.65 3 0 18.99 -999 ? O3' ADN B 502 >GLU~B 156 54.87 48.06 15.87 56.62 49.06 16.50 55.74 48.56 16.19 2 0 16.77 -999 ? O2' ADN B 502 >VAL~B 157 57.55 42.67 16.12 59.04 41.55 14.96 58.29 42.11 15.54 3 0 18.49 -999 ? O2' ADN B 502 >LEU~B 158 55.67 40.11 19.80 53.85 40.91 20.63 54.76 40.51 20.22 3 0 14.13 -999 ? O2' ADN B 502 >LYS~B 159 60.33 39.71 20.58 64.61 43.17 20.23 62.47 41.44 20.40 2 0 23.12 -999 ? O2' ADN B 502 >MET?B 160 60.21 36.01 21.47 56.58 34.91 19.61 58.39 35.46 20.54 2 0 18.38 -999 ? O2' ADN B 502 >ARG~B 161 64.04 32.01 26.24 62.68 34.45 27.53 63.36 33.23 26.89 2 0 23.89 -999 ? O2' ADN B 502 >LYS~B 162 63.15 30.67 20.38 62.33 31.95 17.15 62.74 31.31 18.76 2 0 25.20 -999 ? O2' ADN B 502 >PRO~B 163 61.38 26.70 20.07 62.88 27.71 21.35 62.13 27.20 20.71 3 0 23.08 -999 ? N6 ADN A 501 >VAL~B 164 66.15 24.93 21.41 67.44 26.40 22.35 66.80 25.66 21.88 3 0 26.01 -999 ? N6 ADN A 501 >VAL~B 165 67.77 21.53 21.99 67.17 19.91 20.66 67.47 20.72 21.33 3 0 25.26 -999 ? N6 ADN A 501 >GLU~B 166 70.14 23.03 25.44 69.50 22.38 27.34 69.82 22.71 26.39 2 0 26.72 -999 ? N6 ADN A 501 >LYS~B 169 66.97 17.92 26.55 70.64 20.69 29.87 68.80 19.31 28.21 2 0 27.49 -999 ? N6 ADN A 501 >VAL^B 170 64.95 20.66 24.82 63.61 19.50 23.56 64.28 20.08 24.19 3 0 21.44 -999 ? N6 ADN A 501 >ILE^B 171 64.64 24.80 26.97 65.15 26.13 27.34 64.89 25.46 27.16 3 0 23.46 -999 ? N6 ADN A 501 >GLY^B 172 60.75 26.23 25.28 60.75 26.13 26.13 60.75 26.18 25.71 1 0 20.37 -999 ? N6 ADN A 501 >GLU^B 173 59.07 30.15 26.63 58.97 32.26 26.53 59.02 31.20 26.58 2 0 21.76 -999 ? O2' ADN B 502 >VAL^B 174 53.99 27.25 27.19 52.84 26.55 28.89 53.41 26.90 28.04 3 0 15.04 -999 ? N6 ADN A 501 >ALA^B 175 52.22 28.94 24.27 52.47 28.55 22.83 52.34 28.74 23.55 2 0 16.19 -999 ? N7 ADN A 501 >ILE^B 176 47.87 27.75 23.55 47.05 28.24 22.50 47.46 27.99 23.02 3 0 13.03 -999 ? N7 ADN A 501 >VAL^B 177 46.60 26.11 27.56 47.00 26.14 29.71 46.80 26.12 28.63 3 0 11.16 -999 ? N6 ADN A 501 >ASP~B 178 43.24 23.85 24.90 43.48 21.84 25.53 43.36 22.85 25.22 2 0 5.63 -999 ? N7 ADN A 501 >THR~B 179 39.93 24.15 27.62 37.93 24.62 26.97 38.93 24.39 27.29 2 0 9.27 -999 ? C8 ADN A 501 >PHE~B 180 40.35 19.32 26.60 38.39 19.02 24.62 39.37 19.17 25.61 3 0 -3.60 -999 ? C8 ADN A 501s >GLY~B 181 44.05 22.06 30.43 44.13 21.68 29.67 44.09 21.87 30.05 1 0 7.06 -999 ? N6 ADN A 501 >ASN~B 182 46.04 19.98 26.50 44.59 18.41 26.58 45.32 19.20 26.54 2 0 -3.31 -999 ? N7 ADN A 501s >VAL^B 183 49.67 22.48 27.79 50.77 22.95 29.62 50.22 22.71 28.71 3 0 9.80 -999 ? N6 ADN A 501 >SER^B 184 50.89 23.26 24.29 50.65 23.46 21.90 50.77 23.36 23.09 2 0 11.65 -999 ? N7 ADN A 501 >THR^B 185 54.43 24.60 23.88 55.68 22.95 24.45 55.05 23.77 24.17 2 0 14.60 -999 ? N6 ADN A 501 >ASN^B 186 56.87 27.86 21.39 58.61 27.93 22.64 57.74 27.90 22.01 2 0 20.21 -999 ? N6 ADN A 501 >ILE^B 187 58.95 22.47 21.74 59.87 21.99 22.70 59.41 22.23 22.22 3 0 18.09 -999 ? N6 ADN A 501 >PRO^B 188 58.97 23.63 16.29 58.16 22.14 17.74 58.57 22.88 17.02 3 0 19.62 -999 ? N7 ADN A 501 >PHE~B 189 56.11 15.94 18.55 56.22 13.52 19.97 56.17 14.73 19.26 3 0 15.29 -999 ? N6 ADN A 501 >ASP~B 190 59.62 18.09 13.49 58.15 17.36 12.18 58.89 17.72 12.84 2 0 19.52 -999 ? O5' ADN A 501 >LEU~B 191 62.65 20.32 17.16 64.29 21.44 18.04 63.47 20.88 17.60 3 0 23.03 -999 ? N6 ADN A 501 >PHE~B 192 60.49 15.93 21.52 60.39 14.27 23.77 60.44 15.10 22.65 3 0 17.59 -999 ? N6 ADN A 501 >LEU~B 193 60.78 13.23 16.49 58.97 12.10 16.83 59.87 12.67 16.66 3 0 19.98 -999 ? N6 ADN A 501 >VAL~B 197 63.81 9.84 21.73 63.45 11.85 22.49 63.63 10.84 22.11 3 0 21.29 -999 ? N6 ADN A 501 >ASP~B 198 61.39 6.55 19.82 59.96 5.61 18.57 60.68 6.08 19.19 2 0 21.23 -999 ? N6 ADN A 501 >PHE~B 199 55.68 7.88 19.52 54.89 10.14 18.06 55.29 9.01 18.79 3 0 16.17 -999 ? N6 ADN A 501 >ASP~B 200 57.01 3.49 23.92 55.27 2.84 22.93 56.14 3.16 23.42 2 0 17.28 -999 ? N1 ADN A 501 >ASP~B 201 61.15 7.02 25.44 62.07 5.86 23.94 61.61 6.44 24.69 2 0 21.10 -999 ? N6 ADN A 501 >VAL^B 202 59.52 8.04 29.46 58.77 7.20 31.33 59.14 7.62 30.39 3 0 17.43 -999 ? N6 ADN A 501 >VAL^B 203 60.92 11.57 29.64 60.24 12.42 27.74 60.58 12.00 28.69 3 0 17.21 -999 ? N6 ADN A 501 >ARG^B 204 64.28 12.99 34.54 66.35 14.82 33.18 65.31 13.91 33.86 2 0 23.20 -999 ? N6 ADN A 501 >VAL^B 205 59.21 17.39 32.33 57.26 17.54 31.39 58.23 17.46 31.86 3 0 15.13 -999 ? N6 ADN A 501 >ARG^B 206 63.32 20.80 36.28 65.17 18.51 37.14 64.25 19.66 36.71 2 0 23.48 -999 ? N6 ADN A 501 >VAL^B 207 58.54 23.33 35.09 56.62 22.31 35.23 57.58 22.82 35.16 3 0 17.23 -999 ? N6 ADN A 501 >GLY~B 208 60.81 25.50 37.19 60.90 24.67 37.17 60.85 25.08 37.18 1 0 21.83 -999 ? N6 ADN A 501 >ARG~B 209 61.91 26.35 43.36 59.82 27.37 45.35 60.86 26.86 44.36 2 0 26.45 -999 ? N6 ADN A 501 >LYS^B 210 59.45 20.68 40.05 53.86 23.42 40.79 56.65 22.05 40.42 2 0 18.11 -999 ? N6 ADN A 501 >GLU^B 211 61.63 15.92 36.91 63.49 14.97 37.20 62.56 15.44 37.06 2 0 21.77 -999 ? N6 ADN A 501 >PHE^B 212 55.58 16.83 36.84 54.40 18.80 38.44 54.99 17.81 37.64 3 0 14.95 -999 ? N6 ADN A 501 >LYS^B 213 57.82 11.90 34.54 61.73 9.46 37.20 59.77 10.68 35.87 2 0 21.04 -999 ? N6 ADN A 501 >ALA^B 214 55.80 11.56 31.33 55.49 12.95 30.80 55.65 12.26 31.06 2 0 12.32 -999 ? N6 ADN A 501 >ALA^B 215 55.30 9.00 28.58 54.31 7.84 28.68 54.81 8.42 28.63 2 0 13.03 -999 ? N6 ADN A 501 >VAL^B 216 55.88 10.00 24.97 57.64 10.68 23.90 56.76 10.34 24.43 3 0 14.46 -999 ? N6 ADN A 501 >ALA~B 217 52.66 8.82 23.34 51.60 8.46 24.37 52.13 8.64 23.86 2 0 10.91 -999 ? N1 ADN A 501 >LYS~B 218 50.42 9.25 20.32 52.95 5.68 15.73 51.69 7.47 18.02 2 0 16.33 -999 ? O5' ADN A 501 >ALA~B 219 47.00 9.13 22.01 46.07 8.00 21.56 46.54 8.56 21.79 2 0 8.51 -999 ? N3 ADN A 501 >PHE~B 220 44.60 12.55 24.95 44.65 14.97 23.56 44.63 13.76 24.26 3 0 -3.51 -999 ? C5 ADN A 501s >GLY~B 221 44.54 6.85 25.97 45.26 7.01 25.71 44.90 6.93 25.84 1 0 6.60 -999 ? C2 ADN A 501 >ASP~B 222 49.03 5.76 24.48 48.41 5.46 22.48 48.72 5.61 23.48 2 0 10.94 -999 ? C2 ADN A 501 >VAL~B 223 48.63 5.94 29.19 49.47 7.97 29.17 49.05 6.96 29.18 3 0 9.29 -999 ? N1 ADN A 501 >ASP~B 224 46.91 4.50 33.53 47.68 2.58 33.20 47.29 3.54 33.36 2 0 13.16 -999 ? N1 ADN A 501 >THR~B 225 43.80 7.59 33.44 41.68 7.46 33.80 42.74 7.53 33.62 2 0 8.45 -999 ? C2 ADN A 501 >GLY~B 226 45.34 10.56 35.21 45.74 10.18 34.66 45.54 10.37 34.93 1 0 8.44 -999 ? N1 ADN A 501 >GLU~B 227 49.18 7.47 34.37 50.18 7.88 36.20 49.68 7.68 35.29 2 0 12.67 -999 ? N1 ADN A 501 >LEU^B 228 52.10 13.31 32.78 52.04 15.23 33.78 52.07 14.27 33.28 3 0 9.89 -999 ? N6 ADN A 501 >LEU^B 229 50.97 11.48 27.52 48.94 11.84 26.90 49.96 11.66 27.21 3 0 7.33 -999 ? N6 ADN A 501 >VAL^B 230 54.04 14.23 25.91 56.04 15.06 26.23 55.04 14.64 26.07 3 0 11.53 -999 ? N6 ADN A 501 >HIS^B 231 50.25 14.39 22.66 48.63 15.71 22.83 49.44 15.05 22.74 3 0 7.85 -999 ? N6 ADN A 501 >PRO^B 232 52.26 14.29 17.92 52.39 15.72 19.63 52.33 15.00 18.78 3 0 12.22 -999 ? O5' ADN A 501 >ASP~B 233 48.95 19.72 19.93 49.96 21.39 19.12 49.46 20.56 19.53 2 0 11.31 -999 ? N7 ADN A 501 >SER~B 234 47.03 18.97 16.08 45.26 20.50 16.68 46.15 19.74 16.38 2 0 7.89 -999 ? O5' ADN A 501 >ALA~B 235 49.36 21.74 14.89 49.23 23.12 15.53 49.30 22.43 15.21 2 0 12.70 -999 ? O5' ADN A 501 >GLY~B 236 52.59 19.77 15.28 52.35 20.22 15.90 52.47 20.00 15.59 1 0 13.90 -999 ? O5' ADN A 501 >PHE^B 237 53.51 23.80 18.17 54.07 25.91 16.42 53.79 24.86 17.29 3 0 16.61 -999 ? N7 ADN A 501 >LEU^B 238 56.31 19.23 22.09 57.13 18.52 23.96 56.72 18.88 23.03 3 0 14.38 -999 ? N6 ADN A 501 >GLU^B 239 49.49 19.68 24.38 47.61 19.63 23.37 48.55 19.65 23.88 2 0 6.72 -999 ? N7 ADN A 501 >ILE^B 240 52.62 18.60 28.84 53.44 18.81 28.83 53.03 18.71 28.84 3 0 9.91 -999 ? N6 ADN A 501 >ALA^B 241 48.53 16.45 28.71 47.69 16.05 27.49 48.11 16.25 28.10 2 0 4.07 -999 ? N6 ADN A 501 >VAL^B 242 47.00 14.40 31.48 46.86 14.79 33.61 46.93 14.60 32.54 3 0 -5.53 -999 ? N6 ADN A 501s >ASN~B 243 45.30 10.09 30.01 43.74 8.79 29.36 44.52 9.44 29.69 2 0 4.94 -999 ? C2 ADN A 501 >LEU~B 244 40.80 11.08 31.63 39.61 9.73 30.42 40.20 10.40 31.02 3 0 -4.70 -999 ? C2 ADN A 501s >GLY~B 245 42.78 15.22 33.28 42.85 15.43 32.49 42.81 15.32 32.89 1 0 5.26 -999 ? N6 ADN A 501 >ASP~B 246 43.26 19.73 34.29 43.53 21.76 33.81 43.40 20.74 34.05 2 0 8.54 -999 ? N6 ADN A 501 >ALA~B 247 47.86 19.14 32.85 48.59 18.89 31.54 48.22 19.01 32.20 2 0 6.91 -999 ? N6 ADN A 501 >SER~B 248 47.85 22.90 33.47 45.59 23.83 33.33 46.72 23.36 33.40 2 0 10.09 -999 ? N6 ADN A 501 >GLN~B 249 43.98 22.63 37.21 42.03 21.78 37.31 43.01 22.20 37.26 2 0 11.32 -999 ? N6 ADN A 501 >VAL~B 250 48.74 19.16 37.64 48.63 17.04 37.16 48.68 18.10 37.40 3 0 10.88 -999 ? N6 ADN A 501 >LEU~B 251 52.24 21.11 34.95 53.06 19.60 33.64 52.65 20.36 34.29 3 0 11.94 -999 ? N6 ADN A 501 >SER~B 252 50.61 24.21 37.97 51.11 25.45 39.99 50.86 24.83 38.98 2 0 17.23 -999 ? N6 ADN A 501 >VAL~B 253 51.75 26.11 34.89 52.46 25.30 32.99 52.10 25.70 33.94 3 0 14.50 -999 ? N6 ADN A 501 >LYS~B 254 50.41 29.02 32.85 53.06 32.21 36.30 51.73 30.61 34.57 2 0 20.90 -999 ? N6 ADN A 501 >GLU~B 255 48.70 30.22 28.51 47.11 31.04 27.40 47.91 30.63 27.96 2 0 15.58 -999 ? N7 ADN A 501 >GLY~B 256 54.46 32.06 29.10 54.41 31.31 29.45 54.43 31.68 29.28 1 0 19.16 -999 ? O2' ADN B 502 >ASP~B 257 55.25 28.81 32.62 54.29 29.90 34.16 54.77 29.35 33.39 2 0 18.93 -999 ? N6 ADN A 501 >GLU^B 258 61.90 27.98 30.58 63.76 28.80 31.20 62.83 28.39 30.89 2 0 24.30 -999 ? N6 ADN A 501 >ILE^B 259 57.98 23.93 29.32 57.80 23.15 29.34 57.89 23.54 29.33 3 0 16.38 -999 ? N6 ADN A 501 >GLU^B 260 64.56 21.67 30.33 66.10 22.10 31.72 65.33 21.88 31.02 2 0 23.64 -999 ? N6 ADN A 501 >ILE^B 261 61.20 17.98 27.52 59.95 17.52 26.97 60.57 17.75 27.24 3 0 17.04 -999 ? N6 ADN A 501 >CYH^B 262 65.00 15.92 29.46 66.25 17.79 31.20 65.63 16.86 30.33 2 0 22.87 -999 ? N6 ADN A 501 >ARG~B 263 66.40 10.48 25.48 64.59 8.05 25.97 65.50 9.27 25.72 2 0 22.23 -999 ? N6 ADN A 501 >MET?C 1 18.60 39.68 8.67 22.43 41.74 9.19 20.51 40.71 8.93 2 0 20.20 -999 ? C5' ADN B 502 >ILE^C 2 17.13 37.15 12.42 15.96 36.31 12.69 16.54 36.73 12.55 3 0 16.33 -999 ? O3' ADN C 503 >GLY^C 3 19.43 39.95 15.35 18.72 39.39 15.36 19.07 39.67 15.35 1 0 15.37 -999 ? O3' ADN C 503 >PHE^C 4 19.02 34.78 18.33 17.67 32.62 19.49 18.35 33.70 18.91 3 0 10.29 -999 ? O3' ADN C 503 >LEU^C 5 19.32 39.82 21.94 20.08 41.13 23.49 19.70 40.47 22.72 3 0 10.34 -999 ? O3' ADN C 503 >THR^C 6 18.83 36.07 24.83 18.85 34.17 23.75 18.84 35.12 24.29 2 0 6.44 -999 ? O3' ADN C 503 >ASP~C 7 18.98 35.64 29.54 17.08 34.68 29.77 18.03 35.16 29.66 2 0 -2.96 -999 ? O2' ADN C 503s >TRP~C 8 17.22 32.02 26.56 15.96 31.05 22.97 16.59 31.53 24.77 3 0 -4.56 -999 ? C5' ADN C 503s >GLY~C 9 23.80 31.07 27.36 23.28 30.90 26.69 23.54 30.98 27.03 1 0 9.60 -999 ? C3' ADN C 503 >LEU~C 10 26.99 29.95 23.90 26.89 31.32 22.22 26.94 30.63 23.06 3 0 13.90 -999 ? O3' ADN C 503 >LYS~C 11 26.51 26.35 26.85 28.51 23.59 32.22 27.51 24.97 29.53 2 0 14.74 -999 ? O2' ADN A 501 >SER~C 12 23.02 24.90 26.52 21.94 25.28 28.67 22.48 25.09 27.60 2 0 9.56 -999 ? C8 ADN C 503 >HIS~C 13 19.92 21.63 23.82 18.26 21.08 24.97 19.09 21.35 24.40 3 0 11.56 -999 ? C5' ADN C 503 >TYR~C 14 18.10 26.11 25.97 17.50 24.68 28.31 17.80 25.40 27.14 3 0 7.08 -999 ? C5' ADN C 503 >VAL~C 15 20.32 28.53 21.11 21.74 30.14 21.30 21.03 29.33 21.20 3 0 10.27 -999 ? C5' ADN C 503 >GLY~C 16 21.01 25.83 18.53 20.30 25.98 18.87 20.66 25.91 18.70 1 0 13.00 -999 ? C5' ADN C 503 >VAL~C 17 17.53 24.33 18.38 17.02 23.32 20.25 17.28 23.83 19.31 3 0 11.60 -999 ? C5' ADN C 503 >ALA~C 18 16.14 27.86 18.06 16.43 29.03 19.00 16.29 28.45 18.53 2 0 9.43 -999 ? C5' ADN C 503 >LYS~C 19 18.38 28.51 15.04 23.93 31.14 16.39 21.15 29.83 15.72 2 0 15.52 -999 ? O3' ADN C 503 >ALA~C 20 17.44 25.10 13.63 17.54 23.77 14.36 17.49 24.44 13.99 2 0 15.65 -999 ? C5' ADN C 503 >VAL~C 21 13.74 26.00 13.79 12.15 26.09 15.29 12.94 26.05 14.54 3 0 13.63 -999 ? O5' ADN C 503 >ILE~C 22 15.44 30.41 12.56 15.77 31.75 12.96 15.60 31.08 12.76 3 0 15.12 -999 ? C5' ADN C 503 >LYS~C 23 16.51 27.57 9.40 20.99 30.25 7.89 18.75 28.91 8.65 2 0 21.28 -999 ? C5' ADN C 503 >ARG~C 24 13.46 22.26 11.55 11.76 19.75 12.03 12.61 21.00 11.79 2 0 18.63 -999 ? O5' ADN C 503 >ILE~C 25 10.69 29.03 9.25 10.10 28.75 9.82 10.40 28.89 9.53 3 0 18.08 -999 ? O5' ADN C 503 >ASN~C 26 13.68 31.32 6.25 14.67 32.41 4.72 14.17 31.87 5.48 2 0 23.07 -999 ? C5' ADN C 503 >PRO~C 27 15.38 26.51 3.94 16.26 28.23 5.04 15.82 27.37 4.49 3 0 23.51 -999 ? O5' ADN C 503 >SER~C 28 18.52 31.28 3.86 17.02 32.34 2.25 17.77 31.81 3.05 2 0 25.76 -999 ? C5' ADN C 503 >ALA~C 29 17.78 33.22 7.04 16.93 32.74 8.21 17.36 32.98 7.62 2 0 19.93 -999 ? C5' ADN C 503 >GLU~C 30 22.69 36.95 7.84 24.25 35.53 7.70 23.47 36.24 7.77 2 0 22.21 -999 ? C5' ADN B 502 >ILE^C 31 20.70 33.71 12.67 19.74 32.88 13.36 20.22 33.30 13.01 3 0 16.47 -999 ? C5' ADN C 503 >ILE^C 32 23.85 38.69 13.16 24.91 39.58 12.53 24.38 39.14 12.84 3 0 17.77 -999 ? C5' ADN B 502 >ASP^C 33 24.75 35.57 18.07 24.00 33.66 17.55 24.38 34.61 17.81 2 0 14.47 -999 ? O3' ADN C 503 >ILE^C 34 22.74 40.85 19.72 21.97 42.06 19.55 22.36 41.45 19.63 3 0 14.17 -999 ? O3' ADN C 503 >THR^C 35 24.58 38.03 22.63 24.84 39.06 24.53 24.71 38.55 23.58 2 0 12.34 -999 ? O3' ADN C 503 >HIS~C 36 22.66 33.74 22.47 21.68 33.88 20.62 22.17 33.81 21.54 3 0 10.34 -999 ? O3' ADN C 503 >GLU~C 37 27.24 35.10 26.67 26.65 33.07 26.70 26.94 34.09 26.69 2 0 12.31 -999 ? O3' ADN C 503 >VAL~C 38 22.62 38.38 29.21 20.99 39.67 28.53 21.80 39.02 28.87 3 0 9.10 -999 ? O3' ADN C 503 >GLU~C 39 24.15 39.15 34.02 24.18 40.92 32.85 24.16 40.04 33.44 2 0 12.04 -999 ? O2' ADN C 503 >PRO~C 40 21.03 33.65 34.21 20.13 35.59 33.56 20.58 34.62 33.88 3 0 6.67 -999 ? O2' ADN C 503 >PHE~C 41 15.76 35.44 35.41 16.20 32.77 36.13 15.98 34.11 35.77 3 0 -4.44 -999 ? C2 ADN C 503s >ASN~C 42 19.41 40.83 33.57 19.92 42.76 34.31 19.66 41.80 33.94 2 0 10.85 -999 ? O2' ADN C 503 >VAL~C 43 15.51 42.43 31.06 13.49 42.17 31.82 14.50 42.30 31.44 3 0 8.42 -999 ? O2' ADN C 503 >ARG~C 44 17.66 48.35 34.90 14.83 49.50 35.31 16.24 48.92 35.10 2 0 16.17 -999 ? O2' ADN C 503 >LYS~C 45 20.44 44.86 30.82 25.52 42.90 30.71 22.98 43.88 30.76 2 0 14.19 -999 ? O2' ADN C 503 >ALA~C 46 18.99 43.35 27.65 18.00 42.19 27.62 18.49 42.77 27.64 2 0 9.29 -999 ? O3' ADN C 503 >SER~C 47 16.97 46.52 26.91 16.68 47.95 28.87 16.83 47.23 27.89 2 0 14.40 -999 ? O2' ADN C 503 >HIS~C 48 20.40 49.80 28.94 19.46 51.22 30.16 19.93 50.51 29.55 3 0 17.54 -999 ? O2' ADN C 503 >VAL~C 49 22.30 45.99 24.87 23.38 44.15 25.34 22.84 45.07 25.10 3 0 14.55 -999 ? O3' ADN C 503 >LEU~C 50 18.02 45.36 22.68 16.50 44.91 21.21 17.26 45.14 21.94 3 0 13.50 -999 ? O3' ADN C 503 >TYR~C 51 19.27 51.87 22.06 19.88 54.43 21.06 19.58 53.15 21.56 3 0 19.42 -999 ? O5' ADN B 502 >ARG~C 52 24.62 50.94 24.72 24.85 52.38 27.43 24.74 51.66 26.07 2 0 14.78 -999 ? N7 ADN B 502 >ALA~C 53 23.40 46.88 19.01 23.09 45.42 19.38 23.25 46.15 19.20 2 0 15.44 -999 ? C5' ADN B 502 >SER~C 54 20.43 47.94 16.88 19.01 49.39 18.24 19.72 48.67 17.56 2 0 19.32 -999 ? O3' ADN C 503 >LEU~C 55 23.04 52.04 16.92 22.21 53.59 18.17 22.62 52.82 17.54 3 0 16.47 -999 ? O5' ADN B 502 >ASP~C 56 25.85 48.53 14.27 27.12 50.02 15.08 26.49 49.27 14.67 2 0 12.27 -999 ? O5' ADN B 502 >PHE~C 57 21.60 44.81 13.44 22.81 42.49 14.47 22.20 43.65 13.95 3 0 17.75 -999 ? C5' ADN B 502 >PRO~C 58 20.55 45.97 7.99 20.52 47.72 9.36 20.53 46.84 8.67 3 0 21.04 -999 ? O5' ADN B 502 >PRO~C 59 17.13 50.42 6.77 17.21 49.09 8.56 17.17 49.75 7.66 3 0 24.43 -999 ? O5' ADN B 502 >SER~C 60 14.13 46.15 8.14 13.32 46.79 5.95 13.73 46.47 7.04 2 0 26.09 -999 ? O3' ADN C 503 >THR~C 61 16.17 44.05 10.55 18.16 44.12 11.43 17.16 44.08 10.99 2 0 20.33 -999 ? O3' ADN C 503 >VAL^C 62 14.02 41.65 12.59 12.39 40.35 11.94 13.20 41.00 12.26 3 0 17.83 -999 ? O3' ADN C 503 >PHE^C 63 16.50 43.55 16.41 18.34 45.33 15.29 17.42 44.44 15.85 3 0 16.86 -999 ? O3' ADN C 503 >LEU^C 64 14.86 36.81 17.54 13.96 34.90 18.02 14.41 35.86 17.78 3 0 10.90 -999 ? O3' ADN C 503 >VAL^C 65 14.75 39.19 21.82 15.07 41.29 22.23 14.91 40.24 22.02 3 0 9.23 -999 ? O3' ADN C 503 >VAL^C 66 14.07 36.53 24.41 13.04 34.77 23.61 13.56 35.65 24.01 3 0 -4.96 -999 ? O3' ADN C 503s >VAL~C 67 14.84 37.19 28.09 16.38 38.56 28.80 15.61 37.88 28.44 3 0 -4.39 -999 ? O3' ADN C 503s >ASP~C 68 10.82 35.21 27.94 8.73 34.98 28.08 9.77 35.09 28.01 2 0 -5.55 -999 ? C4' ADN C 503s >TYR~C 69 11.03 37.04 34.19 9.82 39.56 34.35 10.42 38.30 34.27 3 0 -6.55 -999 ? N3 ADN C 503s >GLY~C 70 7.39 35.10 32.40 7.82 34.72 31.83 7.61 34.91 32.11 1 0 6.12 -999 ? N3 ADN C 503 >VAL~C 71 7.27 32.47 29.66 8.52 30.74 29.21 7.90 31.60 29.44 3 0 4.68 -999 ? O5' ADN C 503 >GLY~C 72 4.04 30.50 29.82 4.04 31.26 30.04 4.04 30.88 29.93 1 0 8.21 -999 ? O5' ADN C 503 >THR~C 73 2.18 33.09 31.91 3.64 34.21 33.02 2.91 33.65 32.46 2 0 9.06 -999 ? N3 ADN C 503 >SER~C 74 -0.45 35.64 30.84 -1.03 37.15 32.64 -0.74 36.40 31.74 2 0 14.42 -999 ? N3 ADN C 503 >ARG~C 75 5.38 37.17 28.31 5.18 34.66 26.55 5.28 35.91 27.43 2 0 8.16 -999 ? O5' ADN C 503 >LYS~C 76 1.84 39.05 26.09 -3.08 41.21 26.35 -0.62 40.13 26.22 2 0 18.66 -999 ? O5' ADN C 503 >ALA^C 77 4.01 37.91 23.18 3.91 36.49 22.64 3.96 37.20 22.91 2 0 11.32 -999 ? O5' ADN C 503 >ILE^C 78 4.25 42.20 21.56 4.37 43.04 22.74 4.31 42.62 22.15 3 0 14.97 -999 ? O3' ADN C 503 >VAL^C 79 5.97 42.31 17.69 6.06 41.29 15.77 6.01 41.80 16.73 3 0 16.61 -999 ? O3' ADN C 503 >MET?C 80 7.00 45.96 17.68 8.84 48.78 20.38 7.92 47.37 19.03 2 0 18.07 -999 ? O3' ADN C 503 >LYS^C 81 7.80 48.01 14.61 6.18 49.58 8.68 6.99 48.80 11.65 2 0 26.72 -999 ? O3' ADN C 503 >THR^C 82 9.77 51.13 15.46 11.54 50.43 16.47 10.65 50.78 15.97 2 0 20.84 -999 ? O3' ADN C 503 >LYS~C 83 9.78 54.33 13.42 6.08 58.58 16.32 7.93 56.45 14.87 2 0 28.98 -999 ? O3' ADN C 503 >ASN~C 84 14.57 53.69 12.98 14.67 51.93 14.17 14.62 52.81 13.57 2 0 23.21 -999 ? O3' ADN C 503 >ASP~C 85 12.09 50.93 8.93 10.54 51.97 7.93 11.31 51.45 8.43 2 0 27.80 -999 ? O3' ADN C 503 >GLN~C 86 15.48 48.74 12.84 17.23 48.91 14.02 16.36 48.82 13.43 2 0 21.19 -999 ? O3' ADN C 503 >TYR^C 87 9.89 44.78 11.77 8.78 46.28 9.68 9.34 45.53 10.72 3 0 21.96 -999 ? O3' ADN C 503 >PHE^C 88 12.53 45.46 18.22 14.48 47.33 17.50 13.50 46.40 17.86 3 0 16.61 -999 ? O3' ADN C 503 >VAL^C 89 9.83 40.02 18.38 9.47 38.41 16.97 9.65 39.21 17.67 3 0 13.06 -999 ? O3' ADN C 503 >ALA^C 90 9.77 39.76 22.15 10.70 40.90 22.56 10.24 40.33 22.35 2 0 10.09 -999 ? O3' ADN C 503 >PRO^C 91 9.89 38.83 26.41 8.35 39.30 24.86 9.12 39.07 25.63 3 0 8.14 -999 ? O3' ADN C 503 >ASP~C 92 4.31 42.41 26.38 3.52 44.27 27.01 3.92 43.34 26.69 2 0 15.34 -999 ? O3' ADN C 503 >ASN~C 93 8.62 41.27 30.18 10.41 40.76 29.12 9.52 41.02 29.65 2 0 8.23 -999 ? O3' ADN C 503 >GLY~C 94 9.78 45.86 29.18 10.03 45.24 28.79 9.91 45.55 28.98 1 0 13.04 -999 ? O2' ADN C 503 >VAL~C 95 12.80 44.56 27.28 13.41 42.82 26.11 13.11 43.69 26.69 3 0 10.30 -999 ? O3' ADN C 503 >LEU~C 96 10.80 46.45 23.29 10.87 44.75 21.96 10.84 45.60 22.62 3 0 13.80 -999 ? O3' ADN C 503 >THR~C 97 11.79 49.92 26.49 11.53 50.31 28.63 11.66 50.11 27.56 2 0 16.89 -999 ? O2' ADN C 503 >VAL~C 98 14.93 51.60 25.19 16.92 51.56 26.04 15.93 51.58 25.62 3 0 18.23 -999 ? O3' ADN C 503 >VAL~C 99 14.33 50.96 21.48 14.51 48.84 20.98 14.42 49.90 21.23 3 0 17.80 -999 ? O3' ADN C 503 >ALA~C 100 10.76 52.18 21.97 9.75 51.60 22.96 10.26 51.89 22.46 2 0 19.37 -999 ? O3' ADN C 503 >GLU~C 101 11.56 55.05 26.14 12.28 55.49 28.08 11.92 55.27 27.11 2 0 21.93 -999 ? O2' ADN C 503 >GLU~C 102 16.78 55.35 22.81 17.52 57.23 23.45 17.15 56.29 23.13 2 0 22.89 -999 ? O5' ADN B 502 >TYR~C 103 14.87 53.24 17.35 17.49 52.26 17.16 16.18 52.75 17.26 3 0 22.22 -999 ? O3' ADN C 503 >GLY~C 104 9.61 55.80 18.76 9.94 55.02 18.56 9.77 55.41 18.66 1 0 24.67 -999 ? O3' ADN C 503 >VAL^C 105 6.81 53.29 18.20 6.07 51.99 19.78 6.44 52.64 18.99 3 0 22.70 -999 ? O3' ADN C 503 >ALA^C 106 5.02 52.90 14.87 5.80 52.64 13.59 5.41 52.77 14.23 2 0 25.64 -999 ? O3' ADN C 503 >GLU^C 107 1.36 48.36 14.19 0.77 47.86 12.21 1.07 48.11 13.20 2 0 25.57 -999 ? O3' ADN C 503 >ILE^C 108 2.42 47.30 19.50 3.00 47.56 20.79 2.71 47.43 20.15 3 0 19.94 -999 ? O3' ADN C 503 >ARG^C 109 -0.55 43.87 14.41 -2.53 44.67 12.23 -1.54 44.27 13.32 2 0 25.55 -999 ? O5' ADN C 503 >GLU^C 110 -0.91 39.59 21.75 -2.61 39.41 23.01 -1.76 39.50 22.38 2 0 17.80 -999 ? O5' ADN C 503 >ILE~C 111 2.59 36.65 18.77 3.93 36.22 18.43 3.26 36.44 18.60 3 0 13.92 -999 ? O5' ADN C 503 >GLU~C 112 -3.31 37.30 19.11 -5.04 38.54 19.08 -4.18 37.92 19.09 2 0 20.70 -999 ? O5' ADN C 503 >ASN~C 113 -1.17 34.24 13.27 -1.64 33.12 11.52 -1.40 33.68 12.40 2 0 21.16 -999 ? O5' ADN C 503 >ARG~C 114 -3.49 28.72 18.30 -1.81 27.70 20.66 -2.65 28.21 19.48 2 0 15.51 -999 ? O5' ADN C 503 >GLU~C 115 -2.34 28.70 10.81 -2.16 26.60 11.09 -2.25 27.65 10.95 2 0 21.90 -999 ? O5' ADN C 503 >LEU~C 116 3.20 32.50 12.77 2.66 34.01 11.32 2.93 33.26 12.05 3 0 18.14 -999 ? O5' ADN C 503 >PHE~C 117 2.56 29.35 17.28 1.31 31.40 18.73 1.93 30.37 18.01 3 0 13.77 -999 ? O5' ADN C 503 >TYR~C 118 8.83 24.64 16.01 10.29 22.24 16.09 9.56 23.44 16.05 3 0 13.47 -999 ? O5' ADN C 503 >LYS~C 119 4.64 23.27 16.81 7.78 20.41 21.00 6.21 21.84 18.90 2 0 12.40 -999 ? O5' ADN C 503 >LYS~C 120 0.88 22.94 17.23 -1.86 21.14 12.97 -0.49 22.04 15.10 2 0 21.94 -999 ? O5' ADN C 503 >ASN~C 121 1.21 21.12 21.62 -0.72 20.34 21.15 0.24 20.73 21.39 2 0 17.19 -999 ? O5' ADN C 503 >PRO~C 122 2.59 26.64 20.92 3.36 24.78 21.88 2.98 25.71 21.40 3 0 11.68 -999 ? O5' ADN C 503 >SER~C 123 5.99 24.17 25.21 8.23 25.10 24.98 7.11 24.64 25.10 2 0 6.72 -999 ? O5' ADN C 503 >PHE~C 124 3.44 24.37 29.45 1.33 22.56 29.06 2.39 23.46 29.26 3 0 11.75 -999 ? O5' ADN C 503 >THR~C 125 8.65 27.14 29.08 9.10 25.76 30.68 8.88 26.45 29.88 2 0 -6.09 -999 ? O5' ADN C 503s >PHE~C 126 12.36 26.58 24.48 14.81 27.09 23.20 13.59 26.84 23.84 3 0 -5.21 -999 ? O5' ADN C 503s >HIS~C 127 6.14 30.82 24.93 4.38 30.03 25.75 5.26 30.43 25.34 3 0 6.99 -999 ? O5' ADN C 503 >GLY~C 128 11.56 31.29 22.32 11.09 30.60 22.13 11.33 30.94 22.22 1 0 5.33 -999 ? O5' ADN C 503 >ARG~C 129 12.26 24.31 20.15 10.98 22.37 22.15 11.62 23.34 21.15 2 0 9.47 -999 ? O5' ADN C 503 >ASP~C 130 7.17 26.71 20.61 8.17 24.92 21.13 7.67 25.82 20.87 2 0 9.03 -999 ? O5' ADN C 503 >ILE~C 131 5.77 31.59 20.27 4.51 31.89 20.90 5.14 31.74 20.59 3 0 9.81 -999 ? O5' ADN C 503 >PHE~C 132 9.11 34.92 21.30 7.61 35.88 23.47 8.36 35.40 22.38 3 0 8.16 -999 ? O5' ADN C 503 >ALA~C 133 11.77 32.28 16.72 12.56 31.01 17.04 12.16 31.65 16.88 2 0 10.52 -999 ? O5' ADN C 503 >PRO~C 134 8.14 30.04 15.74 9.71 31.18 14.63 8.92 30.61 15.18 3 0 12.69 -999 ? O5' ADN C 503 >VAL~C 135 7.45 34.38 14.04 5.93 35.33 15.29 6.69 34.86 14.67 3 0 14.64 -999 ? O5' ADN C 503 >ALA~C 136 10.76 36.22 13.66 11.94 36.18 14.65 11.35 36.20 14.15 2 0 14.18 -999 ? C5' ADN C 503 >ALA~C 137 11.65 33.88 10.78 11.75 32.37 10.89 11.70 33.12 10.83 2 0 16.77 -999 ? O5' ADN C 503 >HIS~C 138 6.62 32.63 9.60 6.17 30.59 9.40 6.40 31.61 9.50 3 0 18.89 -999 ? O5' ADN C 503 >LEU~C 139 8.68 38.95 10.79 7.09 39.84 11.95 7.89 39.39 11.37 3 0 19.03 -999 ? O5' ADN C 503 >ASP~C 140 13.34 37.66 8.88 15.16 37.80 7.80 14.25 37.73 8.34 2 0 21.07 -999 ? O3' ADN C 503 >MET?C 141 10.88 36.45 5.15 10.42 32.35 4.82 10.65 34.40 4.99 2 0 22.84 -999 ? O5' ADN C 503 >GLY~C 142 8.10 38.79 4.05 7.96 38.54 4.75 8.03 38.66 4.40 1 0 25.29 -999 ? O5' ADN C 503 >LEU~C 143 5.08 37.09 7.47 3.32 36.33 8.49 4.20 36.71 7.98 3 0 22.00 -999 ? O5' ADN C 503 >PRO~C 144 2.00 40.41 4.40 3.16 40.44 6.29 2.58 40.43 5.35 3 0 26.15 -999 ? O5' ADN C 503 >LEU~C 145 3.00 43.96 10.35 3.84 44.61 12.23 3.42 44.28 11.29 3 0 23.03 -999 ? O3' ADN C 503 >GLU~C 146 -1.85 42.64 7.56 -0.45 43.94 6.63 -1.15 43.29 7.09 2 0 27.92 -999 ? O5' ADN C 503 >ARG~C 147 -1.76 37.54 6.80 -0.85 34.63 7.22 -1.31 36.08 7.01 2 0 24.38 -999 ? O5' ADN C 503 >VAL~C 148 0.65 38.42 13.21 2.51 39.20 14.05 1.58 38.81 13.63 3 0 19.35 -999 ? O5' ADN C 503 >GLY~C 149 -2.47 39.37 15.17 -2.18 40.06 14.76 -2.33 39.71 14.96 1 0 21.07 -999 ? O5' ADN C 503 >ASP~C 150 -5.69 42.30 17.38 -7.24 41.04 16.71 -6.46 41.67 17.05 2 0 24.53 -999 ? O5' ADN C 503 >ARG~C 151 -3.24 48.53 14.56 -4.88 47.99 12.03 -4.06 48.26 13.30 2 0 28.98 -999 ? O5' ADN C 503 >LEU~C 152 -1.04 45.95 21.52 -1.23 43.94 22.29 -1.13 44.94 21.90 3 0 20.36 -999 ? O3' ADN C 503 >LEU~C 153 -3.36 51.12 22.19 -4.18 50.72 20.23 -3.77 50.92 21.21 3 0 26.15 -999 ? O3' ADN C 503 >SER~C 154 0.31 49.97 24.94 -1.18 49.15 26.67 -0.43 49.56 25.81 2 0 22.12 -999 ? O3' ADN C 503 >TYR~C 155 5.13 49.13 24.98 6.63 51.49 24.89 5.88 50.31 24.94 3 0 19.09 -999 ? O3' ADN C 503 >GLU~C 156 4.10 44.95 30.15 2.39 45.66 31.19 3.25 45.31 30.67 2 0 16.93 -999 ? O2' ADN C 503 >VAL~C 157 7.66 49.87 30.21 7.57 51.92 29.46 7.62 50.90 29.84 3 0 18.42 -999 ? O2' ADN C 503 >LEU~C 158 12.02 48.95 32.11 12.48 46.85 32.21 12.25 47.90 32.16 3 0 14.24 -999 ? O2' ADN C 503 >LYS~C 159 10.78 52.34 35.08 8.67 51.82 40.52 9.72 52.08 37.80 2 0 20.76 -999 ? C2 ADN C 503 >MET?C 160 13.96 54.31 34.49 15.49 52.58 30.96 14.73 53.45 32.73 2 0 18.72 -999 ? O2' ADN C 503 >ARG~C 161 16.13 58.98 38.49 17.96 59.93 40.76 17.05 59.46 39.63 2 0 27.19 -999 ? N6 ADN B 502 >LYS~C 162 16.38 59.63 32.86 14.23 58.85 30.08 15.30 59.24 31.47 2 0 24.99 -999 ? O2' ADN C 503 >PRO~C 163 20.23 60.16 30.90 19.31 60.73 32.84 19.77 60.44 31.87 3 0 23.33 -999 ? N6 ADN B 502 >VAL~C 164 20.07 64.88 33.54 18.40 65.00 34.95 19.24 64.94 34.24 3 0 26.55 -999 ? N6 ADN B 502 >VAL~C 165 22.50 67.78 33.93 23.84 68.35 32.31 23.17 68.07 33.12 3 0 25.55 -999 ? N6 ADN B 502 >GLU~C 166 21.16 68.60 38.01 21.68 68.40 40.05 21.42 68.50 39.03 2 0 28.68 -999 ? N6 ADN B 502 >LYS~C 169 27.32 67.81 36.98 25.47 65.79 42.73 26.39 66.80 39.85 2 0 25.90 -999 ? N6 ADN B 502 >VAL^C 170 25.69 64.82 35.27 26.96 64.60 33.51 26.33 64.71 34.39 3 0 21.30 -999 ? N6 ADN B 502 >ILE^C 171 22.87 62.48 38.13 22.72 61.92 38.69 22.80 62.20 38.41 3 0 23.49 -999 ? N6 ADN B 502 >GLY^C 172 22.99 58.60 35.58 23.36 58.47 36.28 23.18 58.54 35.93 1 0 20.52 -999 ? N6 ADN B 502 >GLU^C 173 20.73 54.90 36.58 18.86 53.97 36.25 19.79 54.43 36.41 2 0 21.17 -999 ? O2' ADN C 503 >VAL^C 174 25.65 52.09 34.87 27.34 51.11 35.84 26.50 51.60 35.35 3 0 15.18 -999 ? N6 ADN B 502 >ALA^C 175 23.98 50.37 31.92 23.63 51.14 30.66 23.81 50.75 31.29 2 0 16.20 -999 ? N7 ADN B 502 >ILE^C 176 26.57 47.74 29.20 26.18 47.16 27.97 26.37 47.45 28.59 3 0 12.81 -999 ? N7 ADN B 502 >VAL^C 177 29.85 46.49 32.07 30.45 46.30 34.14 30.15 46.40 33.11 3 0 11.19 -999 ? N6 ADN B 502 >ASP~C 178 32.06 45.41 27.89 33.81 46.58 28.08 32.94 45.99 27.99 2 0 5.65 -999 ? N7 ADN B 502 >THR~C 179 34.20 41.95 28.99 34.44 40.41 27.52 34.32 41.18 28.26 2 0 8.87 -999 ? C8 ADN B 502 >PHE~C 180 37.60 44.90 27.31 37.69 43.92 24.68 37.64 44.41 26.00 3 0 -3.63 -999 ? C8 ADN B 502s >GLY~C 181 35.32 45.72 32.77 35.32 46.14 32.03 35.32 45.93 32.40 1 0 7.11 -999 ? N6 ADN B 502 >ASN~C 182 34.73 49.31 29.51 36.69 49.00 28.71 35.71 49.16 29.11 2 0 -3.32 -999 ? N7 ADN B 502s >VAL^C 183 31.62 50.73 32.61 31.41 50.90 34.75 31.51 50.82 33.68 3 0 9.88 -999 ? N6 ADN B 502 >SER^C 184 29.14 52.22 30.14 28.09 52.46 27.99 28.62 52.33 29.07 2 0 11.81 -999 ? N7 ADN B 502 >THR^C 185 26.46 54.58 31.44 27.55 56.36 31.98 27.01 55.47 31.71 2 0 14.67 -999 ? N6 ADN B 502 >ASN^C 186 21.79 55.32 30.82 21.37 56.52 32.53 21.58 55.92 31.67 2 0 20.36 -999 ? N6 ADN B 502 >ILE^C 187 25.52 59.77 30.94 25.88 60.63 32.03 25.70 60.20 31.48 3 0 18.19 -999 ? N6 ADN B 502 >PRO^C 188 22.47 60.57 26.29 24.57 60.27 26.97 23.52 60.42 26.63 3 0 19.73 -999 ? N7 ADN B 502 >PHE~C 189 30.85 61.70 25.42 33.38 62.67 26.15 32.12 62.18 25.79 3 0 15.43 -999 ? N6 ADN B 502 >ASP~C 190 25.83 64.90 23.08 26.53 63.83 21.41 26.18 64.37 22.24 2 0 19.50 -999 ? O5' ADN B 502 >LEU~C 191 23.77 64.77 27.97 22.03 65.33 29.14 22.90 65.05 28.55 3 0 23.28 -999 ? N6 ADN B 502 >PHE~C 192 30.20 64.44 30.07 32.74 64.74 31.24 31.47 64.59 30.65 3 0 17.55 -999 ? N6 ADN B 502 >LEU~C 193 29.94 67.69 25.48 31.52 66.49 24.66 30.73 67.09 25.07 3 0 20.42 -999 ? N6 ADN B 502 >LYS~C 194 27.19 70.52 27.92 21.92 69.50 24.58 24.56 70.01 26.25 2 0 27.16 -999 ? O5' ADN B 502 >LEU~C 195 29.43 69.56 31.92 28.08 68.53 33.26 28.75 69.04 32.59 3 0 22.97 -999 ? N6 ADN B 502 >SER~C 196 31.88 73.15 29.81 31.88 74.03 32.09 31.88 73.59 30.95 2 0 26.15 -999 ? N6 ADN B 502 >VAL~C 197 34.13 70.11 30.05 32.85 68.49 30.76 33.49 69.30 30.41 3 0 21.02 -999 ? N6 ADN B 502 >ASP~C 198 37.50 70.66 27.06 38.33 70.56 25.12 37.92 70.61 26.09 2 0 21.59 -999 ? N6 ADN B 502 >PHE~C 199 38.53 65.23 24.59 36.50 63.60 23.59 37.52 64.42 24.09 3 0 16.02 -999 ? N6 ADN B 502 >ASP~C 200 43.19 67.54 28.26 44.24 66.75 26.60 43.71 67.15 27.43 2 0 17.50 -999 ? N1 ADN B 502 >ASP~C 201 38.87 68.58 31.74 39.07 70.48 30.83 38.97 69.53 31.28 2 0 21.18 -999 ? N6 ADN B 502 >VAL^C 202 40.04 65.81 35.05 41.78 65.16 36.17 40.91 65.48 35.61 3 0 17.38 -999 ? N6 ADN B 502 >VAL^C 203 36.56 65.15 36.42 35.40 64.67 34.63 35.98 64.91 35.53 3 0 17.31 -999 ? N6 ADN B 502 >ARG^C 204 35.98 65.85 42.49 33.78 67.49 43.86 34.88 66.67 43.17 2 0 24.22 -999 ? N6 ADN B 502 >VAL^C 205 33.59 60.04 39.36 33.97 58.52 37.85 33.78 59.28 38.60 3 0 15.14 -999 ? N6 ADN B 502 >ARG^C 206 29.81 61.89 44.83 26.97 61.73 45.97 28.39 61.81 45.40 2 0 24.73 -999 ? N6 ADN B 502 >VAL^C 207 29.94 55.87 42.72 31.33 54.83 41.42 30.64 55.35 42.07 3 0 17.18 -999 ? N6 ADN B 502 >GLY~C 208 28.16 55.00 45.94 28.53 55.74 45.72 28.34 55.37 45.83 1 0 21.44 -999 ? N6 ADN B 502 >ARG~C 209 30.20 56.50 52.49 30.29 53.81 53.97 30.24 55.16 53.23 2 0 27.15 -999 ? N6 ADN B 502 >LYS^C 210 33.54 56.74 46.85 35.17 51.26 45.33 34.35 54.00 46.09 2 0 17.12 -999 ? N6 ADN B 502 >GLU^C 211 35.16 61.90 44.15 34.80 63.82 44.97 34.98 62.86 44.56 2 0 22.13 -999 ? N6 ADN B 502 >PHE^C 212 37.17 56.51 41.87 36.16 54.26 43.17 36.67 55.38 42.52 3 0 15.14 -999 ? N6 ADN B 502 >LYS^C 213 39.69 61.32 39.65 41.83 64.21 43.76 40.76 62.76 41.71 2 0 20.94 -999 ? N6 ADN B 502 >ALA^C 214 39.25 60.56 35.95 37.96 59.81 35.67 38.61 60.18 35.81 2 0 12.52 -999 ? N6 ADN B 502 >ALA^C 215 40.70 62.23 32.86 42.15 62.03 32.42 41.42 62.13 32.64 2 0 13.22 -999 ? N6 ADN B 502 >VAL^C 216 38.46 63.05 29.91 36.81 64.45 29.77 37.63 63.75 29.84 3 0 14.58 -999 ? N6 ADN B 502 >ALA~C 217 40.12 61.33 26.96 41.24 60.39 27.40 40.68 60.86 27.18 2 0 11.02 -999 ? N1 ADN B 502 >LYS~C 218 39.41 59.88 23.52 40.74 64.93 19.90 40.08 62.40 21.71 2 0 16.72 -999 ? O5' ADN B 502 >ALA~C 219 41.37 56.61 23.59 42.35 56.42 22.44 41.86 56.52 23.02 2 0 8.42 -999 ? N3 ADN B 502 >PHE~C 220 40.92 52.28 26.06 38.34 51.38 25.44 39.63 51.83 25.75 3 0 -3.47 -999 ? C5 ADN B 502s >GLY~C 221 46.07 54.90 25.52 45.53 55.48 25.62 45.80 55.19 25.57 1 0 6.65 -999 ? C2 ADN B 502 >ASP~C 222 44.40 59.48 25.80 43.96 59.62 23.73 44.18 59.55 24.76 2 0 10.92 -999 ? C2 ADN B 502 >VAL~C 223 46.43 57.99 29.76 44.41 57.68 30.51 45.42 57.83 30.14 3 0 9.30 -999 ? N1 ADN B 502 >ASP~C 224 49.87 56.46 32.84 51.20 58.05 32.41 50.54 57.26 32.63 2 0 13.29 -999 ? N1 ADN B 502 >THR~C 225 48.47 52.29 32.09 50.33 51.28 31.74 49.40 51.78 31.92 2 0 9.19 -999 ? C2 ADN B 502 >GLY~C 226 46.14 51.56 34.99 46.06 52.22 34.55 46.10 51.89 34.77 1 0 8.44 -999 ? N1 ADN B 502 >GLU~C 227 46.82 56.63 35.01 46.69 57.19 37.05 46.75 56.91 36.03 2 0 12.86 -999 ? N1 ADN B 502 >LEU^C 228 40.21 56.31 36.15 39.15 55.08 37.57 39.68 55.69 36.86 3 0 10.04 -999 ? N6 ADN B 502 >LEU^C 229 40.19 57.46 30.63 40.27 55.71 29.36 40.23 56.58 30.00 3 0 7.24 -999 ? N6 ADN B 502 >VAL^C 230 36.07 59.04 30.89 34.74 60.19 32.15 35.40 59.62 31.52 3 0 11.52 -999 ? N6 ADN B 502 >HIS^C 231 36.27 56.72 26.51 36.17 54.64 26.28 36.22 55.68 26.40 3 0 7.85 -999 ? N6 ADN B 502 >PRO^C 232 33.76 59.51 23.06 33.13 58.44 24.91 33.44 58.97 23.98 3 0 12.39 -999 ? O5' ADN B 502 >ASP~C 233 31.26 53.48 24.65 29.18 53.81 24.79 30.22 53.65 24.72 2 0 11.43 -999 ? N7 ADN B 502 >SER~C 234 31.19 53.20 20.31 30.97 50.79 20.57 31.08 52.00 20.44 2 0 7.77 -999 ? O5' ADN B 502 >ALA~C 235 27.51 54.07 20.79 26.65 53.09 21.57 27.08 53.58 21.18 2 0 12.71 -999 ? O5' ADN B 502 >GLY~C 236 27.92 57.69 21.88 27.88 57.11 22.43 27.90 57.40 22.16 1 0 14.10 -999 ? O5' ADN B 502 >PHE^C 237 25.28 55.74 25.69 22.59 55.67 24.95 23.93 55.71 25.32 3 0 16.87 -999 ? N7 ADN B 502 >LEU^C 238 29.43 59.20 29.45 30.47 59.91 31.20 29.95 59.55 30.32 3 0 14.43 -999 ? N6 ADN B 502 >GLU^C 239 32.73 52.87 28.82 33.18 51.57 27.20 32.96 52.22 28.01 2 0 6.77 -999 ? N7 ADN B 502 >ILE^C 240 33.96 55.08 33.77 33.81 55.81 34.96 33.88 55.44 34.37 3 0 10.19 -999 ? N6 ADN B 502 >ALA^C 241 37.42 52.68 31.83 37.59 52.35 30.34 37.51 52.52 31.08 2 0 4.10 -999 ? N6 ADN B 502 >VAL^C 242 40.88 51.86 33.10 41.37 51.07 35.06 41.13 51.46 34.08 3 0 -5.54 -999 ? N6 ADN B 502s >ASN~C 243 44.61 52.85 30.15 46.08 52.28 28.72 45.35 52.57 29.43 2 0 4.86 -999 ? C2 ADN B 502 >LEU~C 244 46.24 48.21 30.13 47.41 48.10 28.31 46.82 48.15 29.22 3 0 -4.74 -999 ? C2 ADN B 502s >GLY~C 245 42.61 47.51 33.33 42.11 47.63 32.69 42.36 47.57 33.01 1 0 5.30 -999 ? N6 ADN B 502 >ASP~C 246 38.99 45.40 35.40 36.99 44.75 35.50 37.99 45.07 35.45 2 0 8.56 -999 ? N6 ADN B 502 >ALA~C 247 37.08 49.84 35.66 36.40 50.78 34.67 36.74 50.31 35.16 2 0 6.88 -999 ? N6 ADN B 502 >SER~C 248 34.25 47.78 37.17 34.36 45.48 36.44 34.30 46.63 36.81 2 0 10.17 -999 ? N6 ADN B 502 >GLN~C 249 37.52 43.96 38.73 39.18 42.79 38.07 38.35 43.38 38.40 2 0 11.23 -999 ? N6 ADN B 502 >VAL~C 250 38.52 49.54 40.42 40.04 50.81 39.54 39.28 50.17 39.98 3 0 10.99 -999 ? N6 ADN B 502 >LEU~C 251 34.44 52.03 39.80 34.88 53.72 38.55 34.66 52.88 39.18 3 0 12.03 -999 ? N6 ADN B 502 >SER~C 252 33.79 48.29 42.48 33.56 47.30 44.69 33.67 47.80 43.58 2 0 17.09 -999 ? N6 ADN B 502 >VAL~C 253 30.56 48.97 40.60 30.14 50.50 39.08 30.35 49.73 39.84 3 0 14.57 -999 ? N6 ADN B 502 >LYS~C 254 27.86 46.87 38.93 25.79 46.56 43.99 26.83 46.71 41.46 2 0 20.90 -999 ? N6 ADN B 502 >GLU~C 255 25.79 45.65 34.81 25.29 44.62 33.04 25.54 45.14 33.92 2 0 15.30 -999 ? O2' ADN C 503 >GLY~C 256 22.11 49.42 37.72 22.90 49.69 37.81 22.51 49.56 37.77 1 0 18.49 -999 ? O2' ADN C 503 >ASP~C 257 25.93 51.00 40.26 26.13 49.44 41.66 26.03 50.22 40.96 2 0 18.85 -999 ? N6 ADN B 502 >GLU^C 258 22.96 57.31 41.03 21.81 58.18 42.58 22.38 57.74 41.81 2 0 24.41 -999 ? N6 ADN B 502 >ILE^C 259 27.77 56.65 37.88 29.13 56.05 37.47 28.45 56.35 37.67 3 0 16.10 -999 ? N6 ADN B 502 >GLU^C 260 27.50 62.93 40.88 27.14 63.54 42.87 27.32 63.24 41.87 2 0 23.66 -999 ? N6 ADN B 502 >ILE^C 261 30.42 62.69 35.90 31.62 61.82 35.78 31.02 62.25 35.84 3 0 17.15 -999 ? N6 ADN B 502 >CYH^C 262 31.25 66.35 38.78 30.09 66.17 41.34 30.67 66.26 40.06 2 0 23.09 -999 ? N6 ADN B 502