REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-NOV-07 3BB6 COMPND UNCHARACTERIZED PROTEIN YEAR; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 GENE: YEAR, B1797, JW1786; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR A.P.KUZIN,M.SU,J.SEETHARAMAN,D.WANG,H.JANJUA,L.OWENS,L-C.MA,R.XIAO, AUTHOR 2 J.LIU,M.C.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE,L.TONG,J.F.HUNT, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 46 8 HET MSE A 88 8 HET MSE A 106 8 HET MSE B 1 8 HET MSE B 46 8 HET MSE B 88 8 HET MSE B 106 8 HET MSE C 1 8 HET MSE C 46 8 HET MSE C 88 8 HET MSE C 106 8 HET MSE D 1 8 HET MSE D 46 8 HET MSE D 88 8 HET ZN A 128 1 HET ZN B 128 1 HET ZN C 128 1 HET ZN D 128 1 SITE 1 AC1 3 HIS A 30 ASP A 32 HIS A 83 SITE 1 AC2 3 HIS B 30 ASP B 32 HIS B 83 SITE 1 AC3 3 HIS C 30 ASP C 32 HIS C 83 SITE 1 AC4 3 HIS D 30 ASP D 32 HIS D 83 >MET?A 1 -11.66 42.62 77.60 -8.71 43.64 74.51 -10.19 43.13 76.06 2 0 18.16 -999 ? ZN ZN A 128 >LEU.A 2 -15.57 40.98 75.17 -16.63 40.33 76.94 -16.10 40.65 76.06 3 0 13.32 -999 ? ZN ZN A 128 >GLN.A 3 -10.17 39.21 73.49 -8.12 38.64 73.27 -9.14 38.92 73.38 2 0 20.50 -999 ? ZN ZN A 128 >ILE.A 4 -14.81 38.90 68.20 -15.93 39.57 67.59 -15.37 39.23 67.90 3 0 14.73 -999 ? ZN ZN A 128 >PRO.A 5 -14.60 33.63 69.44 -13.31 35.08 68.38 -13.95 34.35 68.91 3 0 18.90 -999 ? ZN ZN A 128 >GLN.A 6 -8.32 34.40 65.59 -6.40 33.78 64.92 -7.36 34.09 65.26 2 0 18.48 -999 ? ZN ZN C 128 >ASN.A 7 -13.63 30.96 63.21 -14.85 30.65 64.93 -14.24 30.81 64.07 2 0 18.20 -999 ? ZN ZN D 128 >TYR.A 8 -17.14 34.95 65.78 -18.35 33.52 67.89 -17.75 34.23 66.84 3 0 17.33 -999 ? ZN ZN A 128 >ILE^A 9 -18.74 35.87 59.52 -17.99 35.41 58.37 -18.37 35.64 58.95 3 0 13.54 -999 ? ZN ZN D 128 >HIS^A 10 -17.72 42.81 59.27 -18.61 44.71 59.17 -18.17 43.76 59.22 3 0 15.73 -999 ? ZN ZN A 128 >THR^A 11 -21.95 40.72 59.07 -22.88 39.66 60.69 -22.42 40.19 59.88 2 0 14.69 -999 ? ZN ZN D 128 >ARG^A 12 -26.71 45.35 59.66 -27.06 47.43 61.87 -26.88 46.39 60.76 2 0 10.24 -999 ? ZN ZN A 128 >SER^A 13 -21.49 47.80 59.94 -19.64 49.31 59.49 -20.56 48.55 59.72 2 0 14.04 -999 ? ZN ZN A 128 >THR.A 14 -23.51 50.82 61.06 -23.73 50.87 63.22 -23.62 50.84 62.14 2 0 9.34 -999 ? ZN ZN A 128 >PRO.A 15 -24.87 54.78 59.56 -22.97 53.66 59.93 -23.92 54.22 59.74 3 0 13.64 -999 ? ZN ZN A 128 >PHE.A 16 -18.40 57.13 61.09 -15.92 55.92 60.55 -17.16 56.52 60.82 3 0 16.30 -999 ? ZN ZN A 128 >TRP.A 17 -25.41 56.81 62.93 -26.41 53.27 64.33 -25.91 55.04 63.63 3 0 10.56 -999 ? ZN ZN A 128 >ASN.A 18 -22.68 62.48 66.52 -24.06 63.34 65.13 -23.37 62.91 65.83 2 0 16.39 -999 ? ZN ZN A 128 >LYS.A 19 -25.66 62.13 69.69 -25.48 65.02 74.91 -25.57 63.58 72.30 2 0 16.70 -999 ? ZN ZN A 128 >GLN.A 20 -27.81 65.94 67.21 -27.28 67.80 66.31 -27.54 66.87 66.76 2 0 20.08 -999 ? ZN ZN A 128 >THR.A 21 -27.73 60.81 64.10 -25.94 61.33 62.99 -26.83 61.07 63.54 2 0 15.61 -999 ? ZN ZN A 128 >ALA.A 22 -27.72 57.67 66.22 -26.73 57.38 67.36 -27.22 57.52 66.79 2 0 9.97 -999 ? ZN ZN A 128 >PRO~A 23 -30.33 54.20 65.69 -30.37 56.11 66.84 -30.35 55.15 66.26 3 0 9.74 -999 ? ZN ZN A 128 >ALA~A 24 -32.45 57.72 70.15 -33.80 58.43 70.21 -33.13 58.07 70.18 2 0 12.69 -999 ? ZN ZN A 128 >GLY~A 25 -33.08 54.40 71.92 -32.41 54.60 71.63 -32.75 54.50 71.77 1 0 9.17 -999 ? ZN ZN A 128 >ILE~A 26 -28.39 53.60 70.80 -27.04 53.79 70.32 -27.71 53.69 70.56 3 0 5.58 -999 ? ZN ZN A 128 >PHE~A 27 -28.10 57.78 73.42 -26.73 58.55 71.10 -27.42 58.17 72.26 3 0 9.69 -999 ? ZN ZN A 128 >GLU~A 28 -33.40 55.75 75.93 -32.70 57.39 77.09 -33.05 56.57 76.51 2 0 12.19 -999 ? ZN ZN A 128 >ARG.A 29 -31.22 50.95 82.45 -31.20 48.79 84.59 -31.21 49.87 83.52 2 0 13.64 -999 ? ZN ZN A 128 >HIS.A 30 -30.72 49.15 73.99 -28.78 49.60 73.32 -29.75 49.37 73.65 3 0 -4.18 -999 ? ZN ZN A 128s >LEU.A 31 -32.19 43.61 74.94 -31.73 41.83 76.04 -31.96 42.72 75.49 3 0 9.07 -999 ? ZN ZN A 128 >ASP.A 32 -28.11 44.25 70.85 -26.82 45.93 70.94 -27.47 45.09 70.90 2 0 -2.97 -999 ? ZN ZN A 128s >LYS.A 33 -32.13 43.51 68.59 -35.31 47.47 65.43 -33.72 45.49 67.01 2 0 11.45 -999 ? ZN ZN A 128 >GLY.A 34 -31.48 39.85 67.82 -31.13 40.18 68.47 -31.30 40.01 68.14 1 0 11.12 -999 ? ZN ZN A 128 >THR.A 35 -28.69 39.43 70.39 -28.36 40.10 72.45 -28.52 39.76 71.42 2 0 8.83 -999 ? ZN ZN A 128 >ARG.A 36 -29.05 33.74 68.19 -28.81 35.05 65.43 -28.93 34.39 66.81 2 0 14.54 -999 ? ZN ZN D 128 >PRO.A 37 -26.32 31.89 72.39 -25.52 33.92 71.92 -25.92 32.90 72.15 3 0 15.68 -999 ? ZN ZN A 128 >GLY.A 38 -22.49 34.05 68.94 -22.88 34.72 69.19 -22.69 34.39 69.07 1 0 15.25 -999 ? ZN ZN A 128 >VAL^A 39 -23.40 37.65 68.10 -25.35 38.06 67.19 -24.37 37.86 67.65 3 0 11.69 -999 ? ZN ZN A 128 >TYR^A 40 -19.24 38.51 70.38 -18.99 36.30 72.07 -19.11 37.40 71.22 3 0 13.15 -999 ? ZN ZN A 128 >PRO^A 41 -22.38 44.10 70.55 -21.07 43.27 68.93 -21.72 43.68 69.74 3 0 6.88 -999 ? ZN ZN A 128 >ARG^A 42 -14.23 45.62 66.89 -13.61 45.68 63.87 -13.92 45.65 65.38 2 0 15.09 -999 ? ZN ZN A 128 >LEU^A 43 -18.84 50.32 70.26 -19.52 52.37 70.59 -19.18 51.34 70.42 3 0 7.52 -999 ? ZN ZN A 128 >SER^A 44 -15.06 51.94 67.95 -14.23 50.17 66.49 -14.64 51.05 67.22 2 0 13.08 -999 ? ZN ZN A 128 >VAL^A 45 -14.95 55.65 68.68 -14.87 55.99 70.85 -14.91 55.82 69.76 3 0 13.42 -999 ? ZN ZN A 128 >MET?A 46 -13.34 57.85 66.03 -11.60 57.25 63.22 -12.47 57.55 64.62 2 0 16.02 -999 ? ZN ZN C 128 >HIS^A 47 -13.35 63.60 67.55 -12.78 65.45 68.34 -13.07 64.52 67.95 3 0 20.92 -999 ? ZN ZN A 128 >GLY.A 48 -14.39 62.00 71.61 -14.01 61.28 71.39 -14.20 61.64 71.50 1 0 17.74 -999 ? ZN ZN A 128 >ALA^A 49 -15.43 59.12 73.84 -14.71 59.38 75.17 -15.07 59.25 74.51 2 0 15.93 -999 ? ZN ZN A 128 >VAL^A 50 -18.31 56.74 74.47 -19.58 55.92 72.91 -18.94 56.33 73.69 3 0 10.61 -999 ? ZN ZN A 128 >LYS^A 51 -19.26 55.16 77.77 -19.13 57.75 83.14 -19.20 56.45 80.45 2 0 15.98 -999 ? ZN ZN A 128 >TYR^A 52 -20.95 49.22 77.42 -22.18 46.73 77.85 -21.57 47.97 77.63 3 0 7.20 -999 ? ZN ZN A 128 >LEU^A 53 -23.73 51.71 81.77 -23.15 53.47 82.85 -23.44 52.59 82.31 3 0 11.36 -999 ? ZN ZN A 128 >GLY^A 54 -23.94 47.04 81.44 -23.95 47.49 82.14 -23.95 47.26 81.79 1 0 9.80 -999 ? ZN ZN A 128 >TYR^A 55 -27.79 47.98 83.72 -27.46 50.77 83.49 -27.63 49.37 83.61 3 0 11.76 -999 ? ZN ZN A 128 >ALA.A 56 -27.19 42.31 85.39 -27.19 42.07 86.90 -27.19 42.19 86.15 2 0 16.32 -999 ? ZN ZN A 128 >ASP.A 57 -31.66 41.62 85.16 -32.16 42.63 86.92 -31.91 42.13 86.04 2 0 17.22 -999 ? ZN ZN A 128 >GLU.A 58 -35.58 45.32 81.43 -37.46 44.65 80.73 -36.52 44.98 81.08 2 0 14.95 -999 ? ZN ZN A 128 >HIS.A 59 -36.79 45.73 85.78 -38.28 45.69 84.31 -37.53 45.71 85.04 3 0 17.66 -999 ? ZN ZN A 128 >SER.A 60 -31.07 46.42 88.10 -29.75 44.46 87.48 -30.41 45.44 87.79 2 0 16.46 -999 ? ZN ZN A 128 >ALA.A 61 -30.68 49.76 89.87 -30.90 49.96 91.37 -30.79 49.86 90.62 2 0 20.04 -999 ? ZN ZN A 128 >GLU.A 62 -26.58 51.13 91.45 -26.69 53.13 90.74 -26.64 52.13 91.09 2 0 19.31 -999 ? ZN ZN A 128 >PRO.A 63 -23.72 50.78 86.25 -25.01 49.11 86.89 -24.37 49.95 86.57 3 0 14.73 -999 ? ZN ZN A 128 >ASP.A 64 -22.76 44.44 87.32 -23.27 43.38 85.56 -23.02 43.91 86.44 2 0 14.79 -999 ? ZN ZN A 128 >GLN^A 65 -19.19 45.56 81.92 -19.17 43.71 80.84 -19.18 44.64 81.38 2 0 12.20 -999 ? ZN ZN A 128 >VAL^A 66 -18.48 50.11 83.07 -18.70 51.73 84.50 -18.59 50.92 83.78 3 0 14.12 -999 ? ZN ZN A 128 >ILE^A 67 -16.55 49.63 78.84 -16.31 48.42 78.22 -16.43 49.02 78.53 3 0 11.60 -999 ? ZN ZN A 128 >LEU^A 68 -14.39 55.02 79.76 -14.55 57.18 79.61 -14.47 56.10 79.69 3 0 15.77 -999 ? ZN ZN A 128 >ILE^A 69 -14.96 53.26 74.04 -15.43 52.15 73.28 -15.19 52.70 73.66 3 0 11.68 -999 ? ZN ZN A 128 >GLU^A 70 -10.78 57.16 76.11 -9.51 58.48 77.12 -10.15 57.82 76.61 2 0 19.90 -999 ? ZN ZN A 128 >ALA.A 71 -10.85 57.79 70.32 -10.50 59.22 69.90 -10.68 58.50 70.11 2 0 18.90 -999 ? ZN ZN A 128 >GLY.A 72 -8.59 55.12 68.83 -9.23 54.89 69.30 -8.91 55.01 69.07 1 0 17.64 -999 ? ZN ZN C 128 >GLN.A 73 -9.15 53.35 73.23 -9.40 53.35 75.36 -9.27 53.35 74.30 2 0 17.59 -999 ? ZN ZN A 128 >PHE^A 74 -11.97 47.81 69.31 -10.39 45.49 69.36 -11.18 46.65 69.34 3 0 15.18 -999 ? ZN ZN A 128 >ALA^A 75 -14.68 47.50 72.94 -15.20 48.23 74.17 -14.94 47.87 73.56 2 0 11.02 -999 ? ZN ZN A 128 >VAL^A 76 -16.63 44.30 72.37 -15.98 42.45 71.40 -16.30 43.38 71.88 3 0 11.00 -999 ? ZN ZN A 128 >PHE.A 77 -20.65 46.43 74.00 -19.92 49.13 73.70 -20.28 47.78 73.85 3 0 6.06 -999 ? ZN ZN A 128 >PRO.A 78 -21.46 42.06 77.90 -21.00 41.48 75.80 -21.23 41.77 76.85 3 0 9.63 -999 ? ZN ZN A 128 >PRO.A 79 -23.11 37.46 73.68 -23.67 39.51 74.34 -23.39 38.48 74.01 3 0 10.63 -999 ? ZN ZN A 128 >GLU.A 80 -27.62 36.67 74.75 -28.01 34.63 75.18 -27.82 35.65 74.96 2 0 14.45 -999 ? ZN ZN A 128 >LYS.A 81 -27.08 41.78 78.19 -22.69 42.64 82.54 -24.89 42.21 80.36 2 0 12.55 -999 ? ZN ZN A 128 >TRP^A 82 -31.55 42.88 80.00 -34.45 44.92 78.29 -33.00 43.90 79.14 3 0 11.05 -999 ? ZN ZN A 128 >HIS^A 83 -26.02 47.31 76.45 -26.60 46.79 74.50 -26.31 47.05 75.47 3 0 -3.82 -999 ? ZN ZN A 128s >ASN^A 84 -27.80 52.43 77.67 -27.36 52.78 79.72 -27.58 52.61 78.70 2 0 8.90 -999 ? ZN ZN A 128 >ILE^A 85 -23.46 53.74 74.31 -23.47 53.29 72.96 -23.46 53.51 73.64 3 0 5.78 -999 ? ZN ZN A 128 >GLU^A 86 -23.80 59.27 78.25 -23.36 59.70 80.28 -23.58 59.49 79.26 2 0 14.11 -999 ? ZN ZN A 128 >ALA^A 87 -21.53 60.02 74.19 -22.12 60.70 72.96 -21.83 60.36 73.58 2 0 12.75 -999 ? ZN ZN A 128 >MET?A 88 -19.16 62.06 76.36 -19.42 59.92 78.82 -19.29 60.99 77.59 2 0 14.78 -999 ? ZN ZN A 128 >THR.A 89 -19.06 65.09 74.03 -16.96 64.91 73.52 -18.01 65.00 73.77 2 0 18.72 -999 ? ZN ZN A 128 >ASP.A 90 -21.48 68.18 71.21 -23.15 68.60 72.44 -22.31 68.39 71.82 2 0 20.22 -999 ? ZN ZN A 128 >ASP.A 91 -17.26 66.98 68.26 -15.96 67.19 69.91 -16.61 67.08 69.09 2 0 21.24 -999 ? ZN ZN A 128 >THR.A 92 -18.17 62.44 69.62 -18.23 61.18 71.41 -18.20 61.81 70.52 2 0 14.81 -999 ? ZN ZN A 128 >TYR^A 93 -17.49 60.90 64.70 -15.26 61.56 63.14 -16.37 61.23 63.92 3 0 17.82 -999 ? ZN ZN A 128 >PHE^A 94 -20.26 55.80 68.38 -22.98 56.19 68.94 -21.62 56.00 68.66 3 0 9.23 -999 ? ZN ZN A 128 >ASN^A 95 -19.15 53.27 63.15 -17.72 51.74 62.89 -18.43 52.50 63.02 2 0 12.70 -999 ? ZN ZN A 128 >ILE^A 96 -21.85 49.51 66.24 -22.54 49.38 67.51 -22.19 49.45 66.88 3 0 6.43 -999 ? ZN ZN A 128 >ASP^A 97 -18.00 46.34 63.27 -17.25 47.97 62.16 -17.62 47.15 62.71 2 0 13.17 -999 ? ZN ZN A 128 >PHE^A 98 -23.46 44.22 64.74 -24.90 46.32 65.93 -24.18 45.27 65.33 3 0 7.66 -999 ? ZN ZN A 128 >PHE^A 99 -17.21 40.83 64.08 -15.57 42.86 63.04 -16.39 41.84 63.56 3 0 14.45 -999 ? ZN ZN A 128 >VAL^A 100 -21.17 36.36 64.38 -22.91 36.83 63.17 -22.04 36.60 63.77 3 0 15.06 -999 ? ZN ZN A 128 >ALA~A 101 -20.21 32.72 64.73 -20.57 31.87 65.94 -20.39 32.30 65.34 2 0 15.72 -999 ? ZN ZN D 128 >PRO~A 102 -17.98 30.69 61.60 -20.13 30.89 62.19 -19.05 30.79 61.90 3 0 13.15 -999 ? ZN ZN D 128 >GLU~A 103 -20.80 26.87 64.77 -19.76 28.50 65.63 -20.28 27.69 65.20 2 0 15.51 -999 ? ZN ZN D 128 >VAL~A 104 -25.23 30.59 64.05 -24.48 31.72 65.74 -24.86 31.16 64.89 3 0 13.08 -999 ? ZN ZN D 128 >LEU~A 105 -23.68 32.88 60.16 -23.32 34.83 59.33 -23.50 33.85 59.75 3 0 10.03 -999 ? ZN ZN D 128 >MET?A 106 -25.68 28.93 59.16 -23.60 27.15 55.83 -24.64 28.04 57.50 2 0 5.69 -999 ? ZN ZN D 128 >GLU.A 107 -29.77 27.41 62.12 -31.06 28.03 63.69 -30.41 27.72 62.90 2 0 11.70 -999 ? ZN ZN D 128 >GLY.A 108 -27.38 22.98 60.43 -27.77 23.26 61.11 -27.57 23.12 60.77 1 0 9.79 -999 ? ZN ZN D 128 >ALA.A 109 -30.13 20.47 61.13 -30.71 19.50 60.10 -30.42 19.99 60.62 2 0 12.23 -999 ? ZN ZN D 128 >MET?B 1 -19.98 36.01 28.75 -21.58 33.56 32.04 -20.78 34.78 30.39 2 0 18.24 -999 ? ZN ZN B 128 >LEU.B 2 -17.23 39.30 31.08 -16.79 40.87 29.68 -17.01 40.09 30.38 3 0 13.10 -999 ? ZN ZN B 128 >GLN.B 3 -17.28 33.72 33.08 -17.35 31.60 33.39 -17.32 32.66 33.24 2 0 20.49 -999 ? ZN ZN B 128 >ILE.B 4 -15.65 38.19 38.28 -16.03 39.38 38.97 -15.84 38.78 38.63 3 0 14.63 -999 ? ZN ZN B 128 >PRO.B 5 -10.61 36.49 36.76 -12.35 35.76 37.95 -11.48 36.12 37.36 3 0 18.70 -999 ? ZN ZN B 128 >GLN.B 6 -13.04 30.88 42.47 -12.86 28.78 42.24 -12.95 29.83 42.36 2 0 18.19 -999 ? ZN ZN D 128 >ASN.B 7 -8.30 34.59 43.15 -7.56 35.74 41.51 -7.93 35.16 42.33 2 0 18.27 -999 ? ZN ZN C 128 >TYR.B 8 -11.11 39.23 40.67 -9.41 39.91 38.53 -10.26 39.57 39.60 3 0 17.28 -999 ? ZN ZN B 128 >ILE^B 9 -11.55 40.86 46.93 -10.66 40.78 48.06 -11.10 40.82 47.50 3 0 13.08 -999 ? ZN ZN C 128 >HIS^B 10 -18.46 42.11 47.13 -20.09 43.42 47.28 -19.27 42.77 47.20 3 0 15.59 -999 ? ZN ZN B 128 >THR^B 11 -15.35 45.63 47.22 -13.97 46.20 45.66 -14.66 45.91 46.44 2 0 14.42 -999 ? ZN ZN C 128 >ARG^B 12 -19.64 50.95 45.34 -21.61 53.09 44.31 -20.62 52.02 44.83 2 0 9.84 -999 ? ZN ZN B 128 >SER^B 13 -22.32 47.02 46.39 -24.11 45.44 46.82 -23.22 46.23 46.60 2 0 13.94 -999 ? ZN ZN B 128 >THR.B 14 -24.73 49.75 45.33 -24.61 49.96 43.21 -24.67 49.86 44.27 2 0 9.29 -999 ? ZN ZN B 128 >PRO.B 15 -28.05 52.14 46.91 -27.57 50.00 46.51 -27.81 51.07 46.71 3 0 13.65 -999 ? ZN ZN B 128 >PHE.B 16 -32.11 46.61 45.22 -31.70 43.89 45.83 -31.90 45.25 45.52 3 0 16.34 -999 ? ZN ZN B 128 >TRP.B 17 -29.66 53.19 43.28 -26.01 53.30 41.81 -27.83 53.24 42.54 3 0 10.25 -999 ? ZN ZN B 128 >ASN.B 18 -35.92 52.23 39.87 -36.26 53.93 41.12 -36.09 53.08 40.50 2 0 16.24 -999 ? ZN ZN B 128 >LYS.B 19 -34.93 54.65 36.44 -38.00 53.50 31.57 -36.47 54.07 34.01 2 0 16.80 -999 ? ZN ZN B 128 >GLN.B 20 -37.90 57.59 38.67 -38.03 59.21 37.29 -37.97 58.40 37.98 2 0 18.32 -999 ? ZN ZN B 128 >THR.B 21 -33.11 56.53 41.91 -34.19 55.06 43.07 -33.65 55.80 42.49 2 0 15.59 -999 ? ZN ZN B 128 >ALA.B 22 -30.03 55.57 39.93 -30.02 54.67 38.71 -30.02 55.12 39.32 2 0 9.88 -999 ? ZN ZN B 128 >PRO~B 23 -25.80 56.52 39.81 -27.73 57.65 39.62 -26.77 57.09 39.72 3 0 9.12 -999 ? ZN ZN B 128 >ALA~B 24 -28.35 60.12 36.25 -28.70 61.61 36.18 -28.53 60.87 36.21 2 0 12.38 -999 ? ZN ZN B 128 >GLY~B 25 -24.85 59.69 34.87 -25.34 59.12 35.01 -25.09 59.41 34.94 1 0 8.72 -999 ? ZN ZN B 128 >ILE~B 26 -25.63 54.91 35.51 -26.14 53.70 35.96 -25.89 54.30 35.74 3 0 5.21 -999 ? ZN ZN B 128 >PHE~B 27 -29.90 56.28 33.01 -31.17 54.89 35.07 -30.53 55.59 34.04 3 0 9.81 -999 ? ZN ZN B 128 >GLU~B 28 -26.33 60.76 29.16 -28.24 60.05 29.68 -27.29 60.41 29.42 2 0 11.81 -999 ? ZN ZN B 128 >ARG.B 29 -20.37 56.56 24.53 -21.49 56.80 21.70 -20.93 56.68 23.11 2 0 13.89 -999 ? ZN ZN B 128 >HIS.B 30 -20.72 56.25 32.46 -21.75 54.52 33.04 -21.24 55.38 32.75 3 0 -4.20 -999 ? ZN ZN B 128s >LEU.B 31 -15.05 56.03 31.28 -13.61 54.92 30.11 -14.33 55.47 30.69 3 0 9.08 -999 ? ZN ZN B 128 >ASP.B 32 -16.91 52.67 35.82 -18.80 51.89 35.31 -17.86 52.28 35.56 2 0 -2.88 -999 ? ZN ZN B 128s >LYS.B 33 -14.69 55.97 38.01 -16.66 60.81 39.16 -15.68 58.39 38.59 2 0 11.38 -999 ? ZN ZN B 128 >GLY.B 34 -11.36 54.29 38.63 -11.83 54.10 38.04 -11.59 54.19 38.34 1 0 11.32 -999 ? ZN ZN B 128 >THR.B 35 -11.91 51.72 35.90 -12.77 51.64 33.90 -12.34 51.68 34.90 2 0 8.83 -999 ? ZN ZN B 128 >ARG.B 36 -7.28 49.73 38.22 -8.28 50.76 40.96 -7.78 50.24 39.59 2 0 14.53 -999 ? ZN ZN C 128 >PRO.B 37 -5.86 47.03 33.09 -7.57 46.96 34.55 -6.71 46.99 33.82 3 0 15.59 -999 ? ZN ZN B 128 >GLY.B 38 -8.63 44.13 37.54 -9.13 44.63 37.25 -8.88 44.38 37.40 1 0 15.25 -999 ? ZN ZN B 128 >VAL^B 39 -11.91 45.92 38.27 -11.90 47.91 39.21 -11.91 46.91 38.74 3 0 11.53 -999 ? ZN ZN B 128 >TYR^B 40 -13.98 42.26 35.98 -11.85 41.33 34.40 -12.91 41.79 35.19 3 0 13.12 -999 ? ZN ZN B 128 >PRO^B 41 -18.48 46.89 35.90 -17.97 45.39 37.47 -18.23 46.14 36.68 3 0 6.76 -999 ? ZN ZN B 128 >ARG^B 42 -22.13 39.38 39.45 -22.11 38.65 42.43 -22.12 39.01 40.94 2 0 15.17 -999 ? ZN ZN B 128 >LEU^B 43 -25.25 45.21 36.15 -27.03 46.37 35.73 -26.14 45.79 35.94 3 0 7.52 -999 ? ZN ZN B 128 >SER^B 44 -27.80 41.88 38.27 -27.32 41.64 40.63 -27.56 41.76 39.45 2 0 13.00 -999 ? ZN ZN B 128 >VAL^B 45 -31.49 42.50 37.64 -32.37 43.25 35.80 -31.93 42.88 36.72 3 0 13.72 -999 ? ZN ZN B 128 >MET?B 46 -33.98 41.81 40.42 -34.01 40.08 43.13 -34.00 40.94 41.77 2 0 15.98 -999 ? ZN ZN D 128 >HIS^B 47 -39.48 43.38 38.85 -41.38 43.59 37.99 -40.43 43.48 38.42 3 0 20.89 -999 ? ZN ZN B 128 >GLY.B 48 -37.76 43.88 34.82 -37.17 43.31 35.01 -37.46 43.60 34.91 1 0 17.93 -999 ? ZN ZN B 128 >ALA^B 49 -34.75 44.14 32.50 -35.24 43.58 31.16 -34.99 43.86 31.83 2 0 16.22 -999 ? ZN ZN B 128 >VAL^B 50 -31.68 46.25 31.86 -30.63 47.18 33.52 -31.15 46.72 32.69 3 0 10.92 -999 ? ZN ZN B 128 >LYS^B 51 -29.75 46.77 28.66 -32.67 46.99 23.53 -31.21 46.88 26.09 2 0 16.33 -999 ? ZN ZN B 128 >TYR^B 52 -23.54 46.80 28.87 -20.82 47.32 28.41 -22.18 47.06 28.64 3 0 7.51 -999 ? ZN ZN B 128 >LEU^B 53 -25.29 50.30 24.89 -27.13 50.14 23.79 -26.21 50.22 24.34 3 0 11.32 -999 ? ZN ZN B 128 >GLY^B 54 -20.73 49.16 24.95 -21.20 49.33 24.28 -20.96 49.24 24.61 1 0 9.98 -999 ? ZN ZN B 128 >TYR.B 55 -20.53 53.10 22.67 -23.31 53.51 22.82 -21.92 53.31 22.74 3 0 11.96 -999 ? ZN ZN B 128 >ALA.B 56 -15.28 51.03 20.87 -15.04 51.05 19.36 -15.16 51.04 20.12 2 0 16.57 -999 ? ZN ZN B 128 >ASP.B 57 -13.57 55.26 21.18 -14.41 55.74 19.31 -13.99 55.50 20.25 2 0 17.37 -999 ? ZN ZN B 128 >GLU.B 58 -16.19 59.88 24.88 -15.11 61.60 25.47 -15.65 60.74 25.17 2 0 14.99 -999 ? ZN ZN B 128 >HIS.B 59 -16.45 61.27 20.51 -16.17 62.71 22.01 -16.31 61.99 21.26 3 0 17.68 -999 ? ZN ZN B 128 >SER.B 60 -18.29 55.80 18.16 -16.70 54.11 18.90 -17.49 54.96 18.53 2 0 16.61 -999 ? ZN ZN B 128 >ALA.B 61 -21.56 56.20 16.28 -21.70 56.37 14.76 -21.63 56.29 15.52 2 0 20.38 -999 ? ZN ZN B 128 >GLU.B 62 -23.75 52.55 14.67 -25.59 53.44 15.21 -24.67 52.99 14.94 2 0 19.86 -999 ? ZN ZN B 128 >PRO.B 63 -24.60 50.02 20.03 -22.58 50.74 19.45 -23.59 50.38 19.74 3 0 15.03 -999 ? ZN ZN B 128 >ASP.B 64 -18.76 47.29 19.05 -17.56 47.54 20.78 -18.16 47.42 19.92 2 0 14.94 -999 ? ZN ZN B 128 >GLN^B 65 -20.80 44.27 24.57 -18.98 43.74 25.56 -19.89 44.01 25.06 2 0 12.25 -999 ? ZN ZN B 128 >VAL^B 66 -25.24 44.71 23.58 -26.81 45.57 22.32 -26.02 45.14 22.95 3 0 14.04 -999 ? ZN ZN B 128 >ILE^B 67 -25.30 42.46 27.69 -24.23 41.76 28.36 -24.77 42.11 28.03 3 0 11.98 -999 ? ZN ZN B 128 >LEU^B 68 -31.09 41.96 26.62 -33.10 42.71 26.94 -32.09 42.34 26.78 3 0 16.05 -999 ? ZN ZN B 128 >ILE^B 69 -29.31 42.08 32.24 -28.11 42.26 32.87 -28.71 42.17 32.56 3 0 12.01 -999 ? ZN ZN B 128 >GLU^B 70 -34.57 38.82 30.28 -36.03 40.31 29.90 -35.30 39.56 30.09 2 0 18.94 -999 ? ZN ZN B 128 >ALA.B 71 -34.70 39.55 36.03 -36.14 39.66 36.51 -35.42 39.60 36.27 2 0 18.94 -999 ? ZN ZN B 128 >GLY.B 72 -32.83 36.73 37.76 -32.46 37.24 37.22 -32.64 36.98 37.49 1 0 17.47 -999 ? ZN ZN D 128 >GLN^B 73 -31.04 36.35 33.62 -31.34 36.44 31.51 -31.19 36.40 32.56 2 0 18.31 -999 ? ZN ZN B 128 >PHE^B 74 -24.88 37.89 37.15 -23.16 35.68 37.15 -24.02 36.78 37.15 3 0 15.25 -999 ? ZN ZN B 128 >ALA^B 75 -23.83 40.41 33.40 -24.40 41.11 32.17 -24.12 40.76 32.78 2 0 11.14 -999 ? ZN ZN B 128 >VAL^B 76 -20.22 41.36 34.04 -18.65 40.30 35.09 -19.43 40.83 34.56 3 0 11.00 -999 ? ZN ZN B 128 >PHE.B 77 -21.11 45.75 32.44 -23.89 45.86 32.80 -22.50 45.80 32.62 3 0 6.21 -999 ? ZN ZN B 128 >PRO.B 78 -16.66 45.38 28.50 -16.27 44.79 30.63 -16.47 45.08 29.57 3 0 9.69 -999 ? ZN ZN B 128 >PRO.B 79 -12.37 45.32 33.25 -13.51 46.78 31.99 -12.94 46.05 32.62 3 0 10.46 -999 ? ZN ZN B 128 >GLU.B 80 -9.61 50.34 31.62 -7.67 49.64 31.13 -8.64 49.99 31.37 2 0 14.47 -999 ? ZN ZN B 128 >LYS.B 81 -14.88 50.71 28.23 -16.26 47.48 23.80 -15.57 49.09 26.01 2 0 12.71 -999 ? ZN ZN B 128 >TRP.B 82 -14.72 55.38 26.20 -15.83 58.74 27.95 -15.27 57.06 27.08 3 0 11.21 -999 ? ZN ZN B 128 >HIS^B 83 -20.39 51.16 30.13 -19.69 51.56 32.06 -20.04 51.36 31.09 3 0 -3.82 -999 ? ZN ZN B 128s >ASN^B 84 -24.87 54.45 28.53 -25.79 53.87 26.69 -25.33 54.16 27.61 2 0 9.22 -999 ? ZN ZN B 128 >ILE^B 85 -27.28 50.69 32.06 -26.85 50.64 33.43 -27.06 50.66 32.74 3 0 5.86 -999 ? ZN ZN B 128 >GLU^B 86 -32.66 52.13 28.08 -32.88 52.09 25.98 -32.77 52.11 27.03 2 0 14.21 -999 ? ZN ZN B 128 >ALA^B 87 -33.86 50.50 32.29 -34.33 51.24 33.52 -34.10 50.87 32.91 2 0 12.80 -999 ? ZN ZN B 128 >MET?B 88 -36.42 48.71 30.11 -34.54 48.15 27.60 -35.48 48.43 28.86 2 0 15.12 -999 ? ZN ZN B 128 >THR.B 89 -39.38 49.52 32.40 -39.94 47.46 32.72 -39.66 48.49 32.56 2 0 18.91 -999 ? ZN ZN B 128 >ASP.B 90 -41.70 52.65 35.26 -41.90 54.02 33.70 -41.80 53.34 34.48 2 0 20.48 -999 ? ZN ZN B 128 >ASP.B 91 -42.02 48.13 37.63 -42.45 47.31 35.73 -42.24 47.72 36.68 2 0 21.34 -999 ? ZN ZN B 128 >THR.B 92 -37.24 47.79 36.87 -36.06 47.31 35.09 -36.65 47.55 35.98 2 0 15.12 -999 ? ZN ZN B 128 >TYR^B 93 -35.98 46.77 41.76 -37.33 44.77 43.20 -36.66 45.77 42.48 3 0 18.00 -999 ? ZN ZN B 128 >PHE^B 94 -30.29 47.77 38.05 -29.70 50.41 37.36 -30.00 49.09 37.70 3 0 9.33 -999 ? ZN ZN B 128 >ASN^B 95 -28.02 46.30 43.15 -27.06 44.43 43.46 -27.54 45.36 43.30 2 0 12.67 -999 ? ZN ZN B 128 >ILE^B 96 -23.61 47.72 40.13 -23.21 48.37 38.91 -23.41 48.04 39.52 3 0 6.37 -999 ? ZN ZN B 128 >ASP^B 97 -21.74 43.31 43.14 -23.53 43.14 44.28 -22.63 43.22 43.71 2 0 13.03 -999 ? ZN ZN B 128 >PHE^B 98 -18.19 48.06 41.51 -19.79 50.06 40.34 -18.99 49.06 40.93 3 0 7.32 -999 ? ZN ZN B 128 >PHE^B 99 -16.73 40.99 42.20 -19.09 40.00 43.35 -17.91 40.49 42.78 3 0 14.30 -999 ? ZN ZN B 128 >VAL^B 100 -11.40 43.64 42.18 -10.91 45.70 42.66 -11.15 44.67 42.42 3 0 14.78 -999 ? ZN ZN B 128 >ALA~B 101 -8.24 41.54 41.80 -7.29 41.59 40.60 -7.76 41.56 41.20 2 0 15.64 -999 ? ZN ZN C 128 >PRO~B 102 -7.02 38.85 44.98 -6.60 40.97 44.39 -6.81 39.91 44.69 3 0 13.12 -999 ? ZN ZN C 128 >GLU~B 103 -2.48 40.28 42.03 -4.43 39.67 41.46 -3.46 39.98 41.74 2 0 15.19 -999 ? ZN ZN C 128 >VAL~B 104 -4.99 45.64 42.47 -6.12 46.23 40.69 -5.56 45.93 41.58 3 0 12.95 -999 ? ZN ZN C 128 >LEU~B 105 -7.52 45.21 46.61 -9.66 45.33 46.69 -8.59 45.27 46.65 3 0 10.01 -999 ? ZN ZN C 128 >MET?B 106 -3.19 45.69 47.48 -1.90 43.29 50.72 -2.54 44.49 49.10 2 0 5.77 -999 ? ZN ZN C 128 >GLU.B 107 -0.05 48.66 43.11 -0.32 50.61 42.31 -0.19 49.64 42.71 2 0 12.06 -999 ? ZN ZN C 128 >GLY.B 108 2.73 45.52 45.80 2.60 46.11 45.24 2.67 45.82 45.52 1 0 9.90 -999 ? ZN ZN C 128 >ALA.B 109 5.85 47.64 45.49 6.61 48.23 46.67 6.23 47.94 46.08 2 0 11.51 -999 ? ZN ZN C 128 >GLN.B 110 6.64 45.96 41.12 5.81 46.23 39.18 6.22 46.10 40.15 2 0 16.94 -999 ? ZN ZN C 128 >GLN.B 111 12.24 47.63 44.81 13.39 47.10 46.52 12.81 47.36 45.67 2 0 17.39 -999 ? ZN ZN C 128 >MET?C 1 -4.14 60.32 65.32 -7.54 58.81 67.40 -5.84 59.57 66.36 2 0 18.00 -999 ? ZN ZN C 128 >LEU.C 2 -4.99 59.57 60.62 -5.25 60.21 58.58 -5.12 59.89 59.60 3 0 13.41 -999 ? ZN ZN C 128 >GLN.C 3 -9.52 61.63 64.04 -10.81 62.63 65.44 -10.17 62.13 64.74 2 0 20.41 -999 ? ZN ZN C 128 >ILE.C 4 -12.31 57.78 58.99 -12.40 56.53 58.29 -12.35 57.15 58.64 3 0 14.34 -999 ? ZN ZN C 128 >PRO.C 5 -12.90 62.63 56.56 -13.76 61.50 58.29 -13.33 62.06 57.42 3 0 18.15 -999 ? ZN ZN C 128 >GLN.C 6 -19.61 61.65 61.56 -20.27 62.79 63.23 -19.94 62.22 62.39 2 0 17.65 -999 ? ZN ZN A 128 >ASN.C 7 -19.63 62.63 55.75 -17.91 63.23 54.63 -18.77 62.93 55.19 2 0 21.77 -999 ? ZN ZN C 128 >TYR.C 8 -14.96 59.08 54.51 -13.25 60.64 52.94 -14.10 59.86 53.73 3 0 16.68 -999 ? ZN ZN C 128 >ILE^C 9 -19.91 55.06 52.98 -21.09 55.16 52.24 -20.50 55.11 52.61 3 0 18.39 -999 ? ZN ZN B 128 >HIS^C 10 -17.83 49.51 56.44 -17.15 47.54 56.54 -17.49 48.53 56.49 3 0 15.40 -999 ? ZN ZN C 128 >THR^C 11 -17.36 49.55 51.91 -16.04 50.82 50.77 -16.70 50.19 51.34 2 0 14.35 -999 ? ZN ZN C 128 >ARG^C 12 -12.88 45.85 50.29 -9.95 45.19 50.84 -11.41 45.52 50.57 2 0 8.72 -999 ? ZN ZN C 128 >SER^C 13 -14.19 44.26 55.72 -15.84 45.12 57.33 -15.01 44.69 56.53 2 0 14.25 -999 ? ZN ZN C 128 >THR.C 14 -11.64 41.49 55.94 -9.73 42.48 56.15 -10.68 41.98 56.05 2 0 9.55 -999 ? ZN ZN C 128 >PRO.C 15 -11.94 37.21 55.80 -11.77 38.76 57.45 -11.85 37.98 56.63 3 0 14.14 -999 ? ZN ZN C 128 >PHE.C 16 -11.21 38.35 63.24 -13.14 39.96 64.53 -12.17 39.16 63.89 3 0 16.61 -999 ? ZN ZN C 128 >TRP.C 17 -7.22 36.96 57.26 -7.10 40.02 54.79 -7.16 38.49 56.02 3 0 10.94 -999 ? ZN ZN C 128 >ASN.C 18 -2.99 35.22 62.77 -3.32 33.34 61.83 -3.15 34.28 62.30 2 0 16.75 -999 ? ZN ZN C 128 >LYS.C 19 0.64 35.92 60.53 5.63 36.47 64.53 3.14 36.19 62.53 2 0 17.60 -999 ? ZN ZN C 128 >GLN.C 20 0.56 30.81 60.24 0.81 31.74 62.14 0.69 31.27 61.19 2 0 18.54 -999 ? ZN ZN C 128 >THR.C 21 -3.92 33.55 57.51 -5.23 33.28 59.23 -4.58 33.42 58.37 2 0 15.98 -999 ? ZN ZN C 128 >ALA.C 22 -3.42 37.06 56.15 -2.84 38.26 56.86 -3.13 37.66 56.50 2 0 10.24 -999 ? ZN ZN C 128 >PRO~C 23 -3.79 39.45 52.56 -2.76 37.57 53.15 -3.28 38.51 52.86 3 0 9.67 -999 ? ZN ZN C 128 >ALA~C 24 1.38 37.40 52.53 2.19 36.38 51.72 1.79 36.89 52.12 2 0 12.72 -999 ? ZN ZN C 128 >GLY~C 25 1.59 40.69 50.63 1.30 40.60 51.34 1.44 40.64 50.98 1 0 8.98 -999 ? ZN ZN C 128 >ILE~C 26 -1.00 42.34 54.47 -1.79 42.45 55.68 -1.39 42.40 55.07 3 0 5.86 -999 ? ZN ZN C 128 >PHE~C 27 3.06 40.36 56.79 1.05 39.19 58.36 2.05 39.78 57.58 3 0 10.05 -999 ? ZN ZN C 128 >GLU~C 28 5.96 41.55 51.41 5.95 40.38 49.65 5.95 40.96 50.53 2 0 12.07 -999 ? ZN ZN C 128 >ARG.C 29 7.46 50.67 50.27 10.29 51.53 51.14 8.88 51.10 50.70 2 0 13.36 -999 ? ZN ZN C 128 >HIS^C 30 0.61 46.90 50.78 -0.23 46.71 52.70 0.19 46.81 51.74 3 0 -3.56 -999 ? ZN ZN C 128s >LEU^C 31 -0.67 51.48 47.39 0.53 53.25 47.02 -0.07 52.37 47.21 3 0 8.29 -999 ? ZN ZN C 128 >ASP^C 32 -4.92 50.07 51.06 -4.02 48.65 52.36 -4.47 49.36 51.71 2 0 -2.40 -999 ? ZN ZN C 128s >LYS.C 33 -6.57 50.97 46.70 -3.25 53.30 43.27 -4.91 52.13 44.98 2 0 11.91 -999 ? ZN ZN C 128 >GLY.C 34 -10.25 50.55 45.92 -9.76 50.87 45.25 -10.00 50.71 45.58 1 0 11.55 -999 ? ZN ZN C 128 >THR.C 35 -12.31 51.29 42.82 -14.33 50.63 43.21 -13.32 50.96 43.01 2 0 11.32 -999 ? ZN ZN B 128 >ARG.C 36 -15.69 56.10 43.84 -17.06 58.00 41.84 -16.38 57.05 42.84 2 0 10.67 -999 ? ZN ZN B 128 >PRO.C 37 -9.09 58.00 43.16 -9.74 56.78 44.92 -9.42 57.39 44.04 3 0 15.33 -999 ? ZN ZN C 128 >GLY.C 38 -8.85 58.20 48.91 -9.08 57.49 48.72 -8.97 57.84 48.82 1 0 13.07 -999 ? ZN ZN C 128 >VAL.C 39 -9.88 54.97 50.64 -10.52 53.08 49.77 -10.20 54.03 50.21 3 0 10.56 -999 ? ZN ZN C 128 >TYR^C 40 -9.42 57.42 55.22 -8.85 60.18 55.10 -9.13 58.80 55.16 3 0 12.78 -999 ? ZN ZN C 128 >PRO^C 41 -6.46 51.77 54.12 -8.10 52.28 55.54 -7.28 52.02 54.83 3 0 6.41 -999 ? ZN ZN C 128 >ARG^C 42 -11.57 52.04 62.13 -14.42 50.97 62.50 -13.00 51.50 62.32 2 0 15.11 -999 ? ZN ZN C 128 >LEU^C 43 -5.40 48.02 60.83 -4.09 46.39 61.29 -4.75 47.20 61.06 3 0 7.58 -999 ? ZN ZN C 128 >SER^C 44 -8.23 46.92 64.43 -10.34 48.09 64.36 -9.28 47.50 64.39 2 0 13.15 -999 ? ZN ZN C 128 >VAL^C 45 -6.16 44.59 66.61 -4.46 45.02 67.90 -5.31 44.80 67.25 3 0 14.04 -999 ? ZN ZN C 128 >MET?C 46 -8.28 42.10 68.53 -11.44 41.59 69.49 -9.86 41.84 69.01 2 0 16.34 -999 ? ZN ZN A 128 >HIS^C 47 -4.93 38.23 71.51 -3.75 37.25 72.95 -4.34 37.74 72.23 3 0 21.11 -999 ? ZN ZN C 128 >GLY.C 48 -1.53 40.99 70.60 -2.12 41.62 70.55 -1.82 41.30 70.57 1 0 18.12 -999 ? ZN ZN C 128 >ALA^C 49 -0.09 43.99 68.78 1.05 44.60 69.61 0.48 44.30 69.19 2 0 16.41 -999 ? ZN ZN C 128 >VAL^C 50 0.39 45.23 65.20 -1.02 44.73 63.58 -0.32 44.98 64.39 3 0 11.09 -999 ? ZN ZN C 128 >LYS^C 51 2.93 47.75 63.91 7.07 48.43 67.33 5.00 48.09 65.62 2 0 16.36 -999 ? ZN ZN C 128 >TYR^C 52 1.13 52.00 59.76 1.13 53.77 57.61 1.13 52.89 58.68 3 0 7.59 -999 ? ZN ZN C 128 >LEU^C 53 6.33 50.19 58.65 7.63 49.46 60.23 6.98 49.83 59.44 3 0 10.94 -999 ? ZN ZN C 128 >GLY^C 54 4.64 54.04 56.42 5.42 53.95 56.73 5.03 54.00 56.57 1 0 9.49 -999 ? ZN ZN C 128 >TYR.C 55 8.07 52.98 53.71 8.63 50.62 55.11 8.35 51.80 54.41 3 0 11.30 -999 ? ZN ZN C 128 >ALA.C 56 7.75 58.58 51.94 9.07 59.36 51.88 8.41 58.97 51.91 2 0 16.16 -999 ? ZN ZN C 128 >ASP.C 57 8.18 57.58 47.56 10.27 57.39 47.78 9.22 57.49 47.67 2 0 16.82 -999 ? ZN ZN C 128 >GLU.C 58 7.13 51.72 45.00 6.65 51.50 42.95 6.89 51.61 43.97 2 0 14.59 -999 ? ZN ZN C 128 >HIS.C 59 11.45 52.92 44.80 10.43 52.05 43.19 10.94 52.48 43.99 3 0 17.15 -999 ? ZN ZN C 128 >SER.C 60 12.55 55.11 50.39 10.44 55.82 51.40 11.49 55.47 50.89 2 0 15.14 -999 ? ZN ZN C 128 >ALA.C 61 14.70 52.81 52.57 16.23 52.88 52.61 15.46 52.85 52.59 2 0 19.20 -999 ? ZN ZN C 128 >GLU.C 62 15.69 53.46 57.19 15.40 51.47 57.89 15.55 52.47 57.54 2 0 18.47 -999 ? ZN ZN C 128 >PRO.C 63 10.40 52.92 59.17 10.55 54.02 57.24 10.47 53.47 58.20 3 0 14.52 -999 ? ZN ZN C 128 >ASP.C 64 8.74 58.91 56.74 6.81 58.81 55.87 7.78 58.86 56.31 2 0 14.22 -999 ? ZN ZN C 128 >GLN^C 65 3.55 57.31 60.55 1.79 58.23 59.75 2.67 57.77 60.15 2 0 12.41 -999 ? ZN ZN C 128 >VAL^C 66 5.57 54.16 62.85 7.33 52.95 63.27 6.45 53.56 63.06 3 0 13.79 -999 ? ZN ZN C 128 >ILE^C 67 1.05 53.75 64.07 -0.04 54.63 63.80 0.51 54.19 63.93 3 0 12.06 -999 ? ZN ZN C 128 >LEU^C 68 3.04 50.46 68.55 3.56 48.64 69.61 3.30 49.55 69.08 3 0 16.22 -999 ? ZN ZN C 128 >ILE^C 69 -2.26 49.00 66.44 -3.04 49.41 65.36 -2.65 49.21 65.90 3 0 12.03 -999 ? ZN ZN C 128 >GLU^C 70 -0.72 48.58 72.21 1.10 47.61 72.77 0.19 48.09 72.49 2 0 19.15 -999 ? ZN ZN C 128 >ALA.C 71 -5.38 44.92 71.40 -5.39 43.57 72.14 -5.39 44.25 71.77 2 0 19.01 -999 ? ZN ZN C 128 >GLY.C 72 -8.50 47.01 71.89 -7.91 47.25 71.32 -8.20 47.13 71.60 1 0 17.57 -999 ? ZN ZN A 128 >GLN^C 73 -5.47 50.48 71.48 -3.53 51.28 71.85 -4.50 50.88 71.66 2 0 18.24 -999 ? ZN ZN C 128 >PHE^C 74 -9.43 52.07 65.61 -10.77 54.53 65.79 -10.10 53.30 65.70 3 0 15.05 -999 ? ZN ZN C 128 >ALA^C 75 -5.45 53.01 63.68 -3.95 52.79 63.75 -4.70 52.90 63.72 2 0 11.02 -999 ? ZN ZN C 128 >VAL^C 76 -6.55 54.49 60.37 -7.92 56.17 60.73 -7.23 55.33 60.55 3 0 10.99 -999 ? ZN ZN C 128 >PHE.C 77 -3.10 52.12 57.92 -2.59 49.92 59.60 -2.84 51.02 58.76 3 0 5.68 -999 ? ZN ZN C 128 >PRO.C 78 -1.28 58.06 57.09 -2.94 57.04 56.01 -2.11 57.55 56.55 3 0 9.84 -999 ? ZN ZN C 128 >PRO.C 79 -6.41 58.19 53.04 -4.41 57.29 52.74 -5.41 57.74 52.89 3 0 10.21 -999 ? ZN ZN C 128 >GLU.C 80 -4.16 58.03 47.91 -5.06 56.59 46.66 -4.61 57.31 47.29 2 0 11.53 -999 ? ZN ZN C 128 >LYS.C 81 0.65 56.08 51.29 4.22 57.96 54.91 2.43 57.02 53.10 2 0 11.89 -999 ? ZN ZN C 128 >TRP.C 82 4.18 54.49 47.85 3.69 51.13 45.87 3.93 52.81 46.86 3 0 10.56 -999 ? ZN ZN C 128 >HIS^C 83 0.88 50.97 54.56 -1.00 50.36 53.86 -0.06 50.67 54.21 3 0 -3.45 -999 ? ZN ZN C 128s >ASN^C 84 4.63 46.66 55.03 6.28 47.10 56.31 5.45 46.88 55.67 2 0 8.97 -999 ? ZN ZN C 128 >ILE^C 85 0.84 45.59 59.02 -0.45 45.17 58.69 0.19 45.38 58.85 3 0 6.14 -999 ? ZN ZN C 128 >GLU^C 86 6.41 43.35 62.15 8.10 44.52 62.72 7.26 43.93 62.43 2 0 14.08 -999 ? ZN ZN C 128 >ALA^C 87 2.48 41.23 63.72 1.86 39.89 63.37 2.17 40.56 63.54 2 0 13.17 -999 ? ZN ZN C 128 >MET?C 88 4.33 41.44 67.05 5.75 44.32 66.28 5.04 42.88 66.66 2 0 15.22 -999 ? ZN ZN C 128 >THR.C 89 3.40 37.97 68.34 2.23 38.61 70.05 2.81 38.29 69.20 2 0 19.23 -999 ? ZN ZN C 128 >ASP.C 90 2.93 33.32 67.19 5.03 33.43 67.23 3.98 33.37 67.21 2 0 21.10 -999 ? ZN ZN C 128 >ASP.C 91 -1.22 34.88 70.14 -0.71 32.98 70.85 -0.97 33.93 70.49 2 0 22.72 -999 ? ZN ZN C 128 >THR.C 92 -1.81 38.46 67.24 -0.75 40.31 66.94 -1.28 39.39 67.09 2 0 15.22 -999 ? ZN ZN C 128 >TYR^C 93 -6.81 37.29 66.15 -8.85 36.99 68.07 -7.83 37.14 67.11 3 0 17.98 -999 ? ZN ZN C 128 >PHE^C 94 -4.76 42.24 62.13 -3.25 41.33 59.94 -4.00 41.79 61.03 3 0 9.63 -999 ? ZN ZN C 128 >ASN^C 95 -10.59 42.26 61.06 -11.87 43.93 61.32 -11.23 43.09 61.19 2 0 12.77 -999 ? ZN ZN C 128 >ILE^C 96 -8.23 45.72 57.44 -6.92 46.14 57.02 -7.57 45.93 57.23 3 0 6.56 -999 ? ZN ZN C 128 >ASP^C 97 -13.22 48.33 58.62 -13.88 46.78 59.86 -13.55 47.56 59.24 2 0 13.06 -999 ? ZN ZN C 128 >PHE^C 98 -10.58 48.79 53.26 -8.33 47.13 53.49 -9.45 47.96 53.38 3 0 7.17 -999 ? ZN ZN C 128 >PHE^C 99 -14.56 53.53 56.74 -15.34 51.98 58.97 -14.95 52.76 57.86 3 0 14.04 -999 ? ZN ZN C 128 >VAL^C 100 -14.73 55.78 51.25 -14.46 54.83 49.29 -14.60 55.30 50.27 3 0 14.72 -999 ? ZN ZN C 128 >ALA.C 101 -16.04 59.31 50.70 -15.27 60.39 49.94 -15.66 59.85 50.32 2 0 18.32 -999 ? ZN ZN C 128 >PRO.C 102 -19.80 61.50 51.61 -19.09 59.88 50.25 -19.44 60.69 50.93 3 0 18.82 -999 ? ZN ZN B 128 >GLU.C 103 -20.07 59.92 44.69 -19.74 61.53 43.36 -19.90 60.72 44.02 2 0 13.37 -999 ? ZN ZN B 128 >VAL.C 104 -23.64 64.00 46.71 -23.88 65.34 48.41 -23.76 64.67 47.56 3 0 18.54 -999 ? ZN ZN B 128 >LEU.C 105 -25.91 63.21 42.61 -24.65 61.58 41.92 -25.28 62.40 42.26 3 0 13.75 -999 ? ZN ZN B 128 >MET?C 106 -27.59 67.55 42.87 -27.65 71.70 41.64 -27.62 69.63 42.25 2 0 22.14 -999 ? ZN ZN B 128 >GLU.C 107 -32.00 66.19 44.45 -32.39 64.60 45.80 -32.19 65.40 45.13 2 0 20.28 -999 ? ZN ZN B 128 >GLY.C 108 -34.13 68.48 40.48 -34.31 67.88 41.05 -34.22 68.18 40.76 1 0 21.83 -999 ? ZN ZN B 128 >ALA.C 109 -37.74 69.01 41.50 -38.42 70.37 41.44 -38.08 69.69 41.47 2 0 26.12 -999 ? ZN ZN B 128 >GLN.C 110 -40.46 68.43 37.36 -40.61 69.23 35.39 -40.54 68.83 36.37 2 0 25.95 -999 ? ZN ZN B 128 >GLN.C 111 -40.03 61.86 39.48 -41.25 60.14 39.70 -40.64 61.00 39.59 2 0 22.04 -999 ? ZN ZN B 128 >ARG.C 112 -33.64 60.73 36.36 -31.31 59.87 38.14 -32.47 60.30 37.25 2 0 13.24 -999 ? ZN ZN B 128 >LYS.C 113 -39.27 61.49 31.97 -43.88 61.90 29.42 -41.58 61.69 30.70 2 0 25.09 -999 ? ZN ZN B 128 >MET?D 1 -39.32 33.99 40.60 -36.37 36.72 39.01 -37.85 35.36 39.81 2 0 17.82 -999 ? ZN ZN D 128 >LEU.D 2 -38.22 34.22 45.30 -38.58 34.48 47.41 -38.40 34.35 46.35 3 0 13.41 -999 ? ZN ZN D 128 >GLN.D 3 -38.65 39.10 42.12 -39.47 40.52 40.76 -39.06 39.81 41.44 2 0 20.28 -999 ? ZN ZN D 128 >ILE.D 4 -34.28 41.00 47.17 -33.03 40.78 47.91 -33.65 40.89 47.54 3 0 14.41 -999 ? ZN ZN D 128 >PRO.D 5 -38.86 42.71 49.47 -37.53 43.33 47.81 -38.19 43.02 48.64 3 0 18.10 -999 ? ZN ZN D 128 >GLN.D 6 -36.12 49.22 44.83 -37.00 50.18 43.14 -36.56 49.70 43.98 2 0 17.69 -999 ? ZN ZN B 128 >ASN.D 7 -37.13 49.32 50.54 -38.26 47.82 51.54 -37.69 48.57 51.04 2 0 21.83 -999 ? ZN ZN D 128 >TYR.D 8 -34.83 43.92 51.78 -36.80 42.61 53.27 -35.81 43.27 52.52 3 0 16.65 -999 ? ZN ZN D 128 >ILE^D 9 -29.74 47.75 53.29 -29.00 48.05 54.52 -29.37 47.90 53.91 3 0 18.41 -999 ? ZN ZN A 128 >HIS^D 10 -24.77 44.27 50.01 -22.89 43.34 50.12 -23.83 43.80 50.07 3 0 15.91 -999 ? ZN ZN D 128 >THR^D 11 -25.16 43.60 54.40 -26.66 42.42 55.40 -25.91 43.01 54.90 2 0 14.18 -999 ? ZN ZN D 128 >ARG^D 12 -21.38 38.31 55.98 -23.17 35.84 55.80 -22.27 37.07 55.89 2 0 9.28 -999 ? ZN ZN D 128 >SER^D 13 -20.94 39.05 50.60 -21.28 40.97 49.13 -21.11 40.01 49.86 2 0 14.41 -999 ? ZN ZN D 128 >THR.D 14 -18.99 35.81 50.60 -20.41 34.18 50.44 -19.70 34.99 50.52 2 0 9.56 -999 ? ZN ZN D 128 >PRO.D 15 -14.90 34.17 50.26 -16.35 35.36 49.04 -15.62 34.77 49.65 3 0 14.03 -999 ? ZN ZN D 128 >PHE.D 16 -16.01 34.48 43.33 -17.02 36.72 41.96 -16.51 35.60 42.64 3 0 16.58 -999 ? ZN ZN D 128 >TRP.D 17 -15.81 30.38 49.44 -18.93 31.08 51.75 -17.37 30.73 50.60 3 0 10.91 -999 ? ZN ZN D 128 >ASN.D 18 -15.23 25.74 43.96 -13.30 25.49 44.87 -14.27 25.62 44.42 2 0 16.75 -999 ? ZN ZN D 128 >LYS.D 19 -16.96 22.44 46.27 -19.09 18.04 45.40 -18.03 20.24 45.83 2 0 15.46 -999 ? ZN ZN D 128 >GLN.D 20 -11.28 21.92 48.60 -11.80 20.31 49.91 -11.54 21.11 49.26 2 0 18.30 -999 ? ZN ZN D 128 >THR.D 21 -13.35 26.27 49.41 -12.75 27.44 47.69 -13.05 26.86 48.55 2 0 15.94 -999 ? ZN ZN D 128 >ALA.D 22 -16.97 26.63 50.50 -18.20 26.22 49.69 -17.58 26.43 50.10 2 0 10.37 -999 ? ZN ZN D 128 >PRO~D 23 -18.42 28.32 54.20 -17.85 26.29 53.48 -18.13 27.30 53.84 3 0 9.97 -999 ? ZN ZN D 128 >ALA~D 24 -18.79 22.28 54.28 -18.09 21.25 55.14 -18.44 21.77 54.71 2 0 12.57 -999 ? ZN ZN D 128 >GLY~D 25 -22.04 22.93 56.13 -21.85 23.17 55.42 -21.94 23.05 55.77 1 0 8.97 -999 ? ZN ZN D 128 >ILE~D 26 -22.80 25.75 52.22 -22.58 26.49 51.00 -22.69 26.12 51.61 3 0 5.85 -999 ? ZN ZN D 128 >PHE~D 27 -21.68 21.47 49.80 -19.92 23.05 48.30 -20.80 22.26 49.05 3 0 10.12 -999 ? ZN ZN D 128 >GLU.D 28 -23.77 18.70 55.29 -22.97 18.07 57.14 -23.37 18.38 56.21 2 0 12.56 -999 ? ZN ZN D 128 >ARG.D 29 -31.52 17.79 54.63 -34.40 17.26 55.46 -32.96 17.53 55.05 2 0 13.42 -999 ? ZN ZN D 128 >HIS^D 30 -27.59 25.34 55.74 -27.28 26.44 53.99 -27.43 25.89 54.86 3 0 -3.68 -999 ? ZN ZN D 128s >LEU^D 31 -31.76 27.53 58.96 -33.91 27.51 59.08 -32.84 27.52 59.02 3 0 8.29 -999 ? ZN ZN D 128 >ASP^D 32 -29.32 31.61 55.53 -28.20 30.46 54.16 -28.76 31.04 54.85 2 0 -2.55 -999 ? ZN ZN D 128s >LYS.D 33 -30.11 33.22 59.92 -32.56 30.92 63.52 -31.33 32.07 61.72 2 0 12.24 -999 ? ZN ZN D 128 >GLY.D 34 -28.08 36.39 60.37 -28.54 35.99 60.96 -28.31 36.19 60.67 1 0 11.12 -999 ? ZN ZN D 128 >THR.D 35 -28.60 38.86 63.25 -27.28 40.41 64.00 -27.94 39.63 63.63 2 0 11.51 -999 ? ZN ZN A 128 >ARG.D 36 -32.18 43.37 61.68 -31.14 45.24 63.88 -31.66 44.31 62.78 2 0 10.17 -999 ? ZN ZN A 128 >PRO.D 37 -36.39 38.14 62.76 -34.63 37.74 61.44 -35.51 37.94 62.10 3 0 15.43 -999 ? ZN ZN D 128 >GLY.D 38 -36.16 37.72 57.44 -35.40 37.57 57.55 -35.78 37.64 57.49 1 0 13.27 -999 ? ZN ZN D 128 >VAL.D 39 -32.71 37.84 55.80 -30.69 37.96 56.60 -31.70 37.90 56.20 3 0 10.71 -999 ? ZN ZN D 128 >TYR^D 40 -34.73 38.00 51.16 -37.53 38.10 51.02 -36.13 38.05 51.09 3 0 12.58 -999 ? ZN ZN D 128 >PRO^D 41 -30.34 33.45 52.17 -30.29 35.25 50.85 -30.32 34.35 51.51 3 0 6.29 -999 ? ZN ZN D 128 >ARG^D 42 -29.08 38.55 44.25 -27.07 40.84 43.98 -28.08 39.69 44.12 2 0 14.89 -999 ? ZN ZN D 128 >LEU^D 43 -26.78 31.53 45.59 -25.55 29.84 45.01 -26.16 30.69 45.30 3 0 7.63 -999 ? ZN ZN D 128 >SER^D 44 -25.20 33.87 41.85 -23.76 35.78 42.26 -24.48 34.82 42.06 2 0 13.11 -999 ? ZN ZN D 128 >VAL^D 45 -23.29 31.37 39.73 -23.83 29.32 39.37 -23.56 30.35 39.55 3 0 13.71 -999 ? ZN ZN D 128 >MET?D 46 -20.22 32.77 38.01 -19.00 35.69 36.99 -19.61 34.23 37.50 2 0 16.32 -999 ? ZN ZN B 128 >HIS^D 47 -17.20 28.58 35.23 -16.55 27.59 33.50 -16.87 28.08 34.37 3 0 21.18 -999 ? ZN ZN D 128 >GLY.D 48 -20.69 25.90 36.16 -21.15 26.62 36.21 -20.92 26.26 36.18 1 0 18.01 -999 ? ZN ZN D 128 >ALA^D 49 -23.96 25.36 38.04 -24.83 24.52 37.10 -24.39 24.94 37.57 2 0 16.16 -999 ? ZN ZN D 128 >VAL^D 50 -25.46 25.18 41.52 -24.72 26.31 43.21 -25.09 25.75 42.37 3 0 10.84 -999 ? ZN ZN D 128 >LYS^D 51 -28.66 23.49 42.59 -29.87 18.31 40.35 -29.26 20.90 41.47 2 0 16.00 -999 ? ZN ZN D 128 >TYR^D 52 -32.42 26.30 46.60 -34.28 26.82 48.63 -33.35 26.56 47.62 3 0 7.54 -999 ? ZN ZN D 128 >LEU^D 53 -32.04 20.62 47.67 -30.67 19.42 46.51 -31.36 20.02 47.09 3 0 10.68 -999 ? ZN ZN D 128 >GLY^D 54 -35.39 23.38 49.70 -35.47 22.58 49.42 -35.43 22.98 49.56 1 0 9.52 -999 ? ZN ZN D 128 >TYR.D 55 -35.27 19.83 52.49 -33.13 18.64 51.13 -34.20 19.23 51.81 3 0 11.30 -999 ? ZN ZN D 128 >ALA.D 56 -40.71 21.54 53.92 -41.78 20.44 53.84 -41.25 20.99 53.88 2 0 16.15 -999 ? ZN ZN D 128 >ASP.D 57 -40.07 20.84 58.32 -40.41 18.78 58.10 -40.24 19.81 58.21 2 0 16.88 -999 ? ZN ZN D 128 >GLU.D 58 -34.12 20.46 61.00 -33.75 20.62 63.08 -33.94 20.54 62.04 2 0 14.54 -999 ? ZN ZN D 128 >HIS.D 59 -36.37 16.36 61.26 -35.21 16.95 62.91 -35.79 16.66 62.08 3 0 17.27 -999 ? ZN ZN D 128 >SER.D 60 -38.49 16.22 55.46 -39.72 18.27 55.05 -39.10 17.25 55.25 2 0 15.90 -999 ? ZN ZN D 128 >ALA.D 61 -37.19 13.11 53.70 -37.94 11.80 53.61 -37.56 12.46 53.66 2 0 19.60 -999 ? ZN ZN D 128 >GLU.D 62 -37.84 12.48 49.24 -39.17 11.41 48.01 -38.50 11.95 48.63 2 0 21.02 -999 ? ZN ZN D 128 >PRO.D 63 -35.68 17.60 47.49 -37.12 17.66 49.18 -36.40 17.63 48.34 3 0 14.47 -999 ? ZN ZN D 128 >ASP.D 64 -41.38 20.76 48.99 -40.62 22.36 50.18 -41.00 21.56 49.59 2 0 14.34 -999 ? ZN ZN D 128 >GLN^D 65 -38.29 25.29 45.56 -38.57 27.22 46.45 -38.43 26.26 46.01 2 0 12.29 -999 ? ZN ZN D 128 >VAL^D 66 -35.59 22.49 43.39 -34.97 20.49 42.77 -35.28 21.49 43.08 3 0 13.87 -999 ? ZN ZN D 128 >ILE^D 67 -33.96 26.64 42.04 -34.58 27.89 42.25 -34.27 27.27 42.14 3 0 12.16 -999 ? ZN ZN D 128 >LEU^D 68 -30.98 23.98 37.81 -29.35 22.75 37.11 -30.16 23.37 37.46 3 0 16.02 -999 ? ZN ZN D 128 >ILE^D 69 -28.44 28.78 40.20 -28.67 29.68 41.29 -28.55 29.23 40.74 3 0 11.72 -999 ? ZN ZN D 128 >GLU^D 70 -27.83 26.66 34.57 -27.72 25.48 32.82 -27.77 26.07 33.70 2 0 19.86 -999 ? ZN ZN D 128 >ALA.D 71 -23.67 30.79 35.16 -22.42 30.44 34.35 -23.05 30.62 34.75 2 0 18.99 -999 ? ZN ZN D 128 >GLY.D 72 -25.01 34.28 34.53 -25.35 33.80 35.13 -25.18 34.04 34.83 1 0 17.67 -999 ? ZN ZN B 128 >GLN^D 73 -28.90 32.15 35.00 -30.16 30.48 34.54 -29.53 31.31 34.77 2 0 18.12 -999 ? ZN ZN D 128 >PHE^D 74 -29.53 36.49 40.87 -31.48 38.47 40.51 -30.51 37.48 40.69 3 0 14.94 -999 ? ZN ZN D 128 >ALA^D 75 -31.65 32.85 42.77 -31.81 31.34 42.74 -31.73 32.09 42.76 2 0 10.80 -999 ? ZN ZN D 128 >VAL^D 76 -33.15 34.34 45.91 -34.13 36.27 46.19 -33.64 35.30 46.05 3 0 10.88 -999 ? ZN ZN D 128 >PHE.D 77 -31.30 30.46 48.64 -29.26 29.22 47.17 -30.28 29.84 47.91 3 0 5.25 -999 ? ZN ZN D 128 >PRO.D 78 -37.59 30.14 48.99 -36.25 31.45 50.19 -36.92 30.80 49.59 3 0 9.69 -999 ? ZN ZN D 128 >PRO.D 79 -36.38 35.00 53.19 -36.17 32.81 53.49 -36.27 33.90 53.34 3 0 9.93 -999 ? ZN ZN D 128 >GLU.D 80 -37.55 31.59 59.30 -36.06 33.05 59.71 -36.81 32.32 59.50 2 0 11.79 -999 ? ZN ZN D 128 >LYS.D 81 -36.76 27.60 54.86 -39.44 24.48 51.40 -38.10 26.04 53.13 2 0 12.28 -999 ? ZN ZN D 128 >TRP.D 82 -35.97 24.06 58.21 -32.81 23.70 60.52 -34.39 23.88 59.36 3 0 10.60 -999 ? ZN ZN D 128 >HIS^D 83 -31.62 26.29 51.88 -30.63 27.88 52.82 -31.12 27.09 52.35 3 0 -3.55 -999 ? ZN ZN D 128s >ASN^D 84 -28.44 21.48 51.55 -28.88 19.99 50.09 -28.66 20.74 50.82 2 0 8.98 -999 ? ZN ZN D 128 >ILE^D 85 -26.27 24.80 47.46 -25.61 26.02 47.84 -25.94 25.41 47.65 3 0 6.08 -999 ? ZN ZN D 128 >GLU^D 86 -25.28 18.69 44.67 -26.61 17.28 43.81 -25.94 17.99 44.24 2 0 14.30 -999 ? ZN ZN D 128 >ALA^D 87 -22.32 22.30 43.02 -20.89 22.62 43.40 -21.61 22.46 43.21 2 0 12.91 -999 ? ZN ZN D 128 >MET?D 88 -22.81 20.54 39.68 -25.78 19.66 40.37 -24.29 20.10 40.02 2 0 15.17 -999 ? ZN ZN D 128 >THR.D 89 -19.13 20.42 38.63 -19.24 21.85 36.98 -19.18 21.14 37.80 2 0 18.97 -999 ? ZN ZN D 128 >ASP.D 90 -14.45 19.85 39.76 -14.81 17.95 40.62 -14.63 18.90 40.19 2 0 20.62 -999 ? ZN ZN D 128 >ASP.D 91 -15.13 23.89 36.32 -13.65 22.60 35.55 -14.39 23.25 35.94 2 0 22.90 -999 ? ZN ZN D 128 >THR.D 92 -18.23 25.46 39.42 -20.30 24.86 39.60 -19.26 25.16 39.51 2 0 15.38 -999 ? ZN ZN D 128 >TYR^D 93 -16.06 30.04 40.46 -15.16 31.88 38.54 -15.61 30.96 39.50 3 0 18.01 -999 ? ZN ZN D 128 >PHE^D 94 -21.52 29.39 44.56 -21.12 27.85 46.87 -21.32 28.62 45.71 3 0 9.41 -999 ? ZN ZN D 128 >ASN^D 95 -19.89 34.86 45.47 -21.06 36.60 45.16 -20.47 35.73 45.31 2 0 12.80 -999 ? ZN ZN D 128 >ILE^D 96 -23.97 33.76 49.20 -24.77 32.67 49.72 -24.37 33.21 49.46 3 0 6.53 -999 ? ZN ZN D 128 >ASP^D 97 -25.08 39.18 47.70 -23.31 39.57 46.61 -24.19 39.37 47.16 2 0 13.24 -999 ? ZN ZN D 128 >PHE^D 98 -26.13 36.91 53.13 -25.06 34.30 52.99 -25.59 35.60 53.06 3 0 7.40 -999 ? ZN ZN D 128 >PHE^D 99 -29.67 42.10 49.53 -27.93 42.65 47.39 -28.80 42.37 48.46 3 0 14.35 -999 ? ZN ZN D 128 >VAL^D 100 -31.87 42.74 55.02 -31.14 42.36 57.06 -31.51 42.55 56.04 3 0 14.84 -999 ? ZN ZN D 128 >ALA.D 101 -34.95 44.93 55.58 -36.14 44.54 56.45 -35.55 44.73 56.02 2 0 18.37 -999 ? ZN ZN D 128 >PRO.D 102 -36.45 49.00 55.10 -34.55 48.04 55.74 -35.50 48.52 55.42 3 0 19.10 -999 ? ZN ZN A 128 >GLU.D 103 -31.28 51.42 58.86 -30.79 51.26 56.79 -31.04 51.34 57.82 2 0 16.17 -999 ? ZN ZN A 128