REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS/UNKNOWN FUNCTION 13-NOV-06 2NVM COMPND FDXN ELEMENT EXCISION CONTROLLING FACTOR XISI; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS ATCC 29413; SOURCE 3 ORGANISM_TAXID: 240292; SOURCE 4 STRAIN: ATCC 29413 / PCC 7937; SOURCE 5 GENE: YP_321976.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 97 8 HET MSE B 97 8 >ASP~A 2 33.18 54.93 -48.73 31.79 56.58 -48.97 32.48 55.75 -48.85 2 0 1000.00 -999 ? >LYS~A 3 34.51 55.66 -44.59 34.04 51.97 -39.91 34.28 53.82 -42.25 2 0 1000.00 -999 ? >LEU~A 4 38.90 53.47 -44.68 39.22 51.73 -43.42 39.06 52.60 -44.05 3 0 1000.00 -999 ? >THR~A 5 39.07 57.42 -47.04 38.77 57.50 -49.20 38.92 57.46 -48.12 2 0 1000.00 -999 ? >HIS~A 6 35.52 61.46 -43.89 35.07 63.34 -43.09 35.30 62.40 -43.49 3 0 1000.00 -999 ? >TYR~A 7 37.38 57.24 -40.43 34.86 56.60 -39.29 36.12 56.92 -39.86 3 0 1000.00 -999 ? >ARG~A 8 43.55 56.16 -45.81 42.65 53.19 -46.25 43.10 54.68 -46.03 2 0 1000.00 -999 ? >HIS~A 9 41.09 64.45 -46.11 41.45 66.45 -46.65 41.27 65.45 -46.38 3 0 1000.00 -999 ? >THR~A 10 40.76 63.77 -41.33 38.75 63.77 -40.41 39.75 63.77 -40.87 2 0 1000.00 -999 ? >ILE~A 11 44.16 60.76 -39.26 43.96 60.47 -37.94 44.06 60.62 -38.60 3 0 1000.00 -999 ? >GLN~A 12 46.87 61.86 -43.37 47.44 61.39 -45.35 47.15 61.63 -44.36 2 0 1000.00 -999 ? >ILE~A 14 43.53 66.21 -37.02 42.45 65.98 -36.12 42.99 66.10 -36.57 3 0 1000.00 -999 ? >ILE~A 15 48.53 64.33 -37.48 49.53 63.30 -37.76 49.03 63.81 -37.62 3 0 1000.00 -999 ? >LYS~A 16 49.35 68.33 -39.83 49.24 65.83 -45.66 49.29 67.08 -42.74 2 0 1000.00 -999 ? >LYS~A 17 47.44 71.21 -38.07 42.10 73.40 -35.22 44.77 72.30 -36.64 2 0 1000.00 -999 ? >TYR~A 18 47.03 69.92 -33.11 44.50 70.85 -32.30 45.77 70.39 -32.71 3 0 1000.00 -999 ? >TYR~A 19 54.16 68.75 -37.74 56.76 68.77 -38.84 55.46 68.76 -38.29 3 0 1000.00 -999 ? >ASP~A 20 51.54 73.53 -39.14 52.00 72.44 -40.94 51.77 72.98 -40.04 2 0 1000.00 -999 ? >LEU~A 21 49.71 74.68 -34.18 48.49 75.78 -32.74 49.10 75.23 -33.46 3 0 1000.00 -999 ? >SER~A 22 54.09 73.72 -32.76 55.70 72.04 -31.91 54.89 72.88 -32.33 2 0 1000.00 -999 ? >ASN~A 23 57.66 73.81 -35.81 56.75 72.45 -37.20 57.20 73.13 -36.50 2 0 1000.00 -999 ? >SER~A 24 54.86 77.81 -37.15 55.78 79.43 -35.58 55.32 78.62 -36.36 2 0 1000.00 -999 ? >LEU.A 38 72.56 72.56 -35.32 74.51 71.57 -34.99 73.54 72.06 -35.15 3 0 1000.00 -999 ? >PRO.A 39 71.98 68.94 -38.96 70.74 69.60 -37.19 71.36 69.27 -38.08 3 0 1000.00 -999 ? >ASP.A 40 72.44 67.69 -33.06 73.30 66.30 -34.32 72.87 66.99 -33.69 2 0 1000.00 -999 ? >THR.A 41 68.89 70.50 -31.59 69.21 72.45 -32.45 69.05 71.47 -32.02 2 0 1000.00 -999 ? >VAL.A 42 65.50 68.93 -30.64 64.69 68.21 -28.73 65.09 68.57 -29.68 3 0 1000.00 -999 ? >GLY^A 43 63.33 69.09 -33.82 63.19 68.40 -33.35 63.26 68.75 -33.59 1 0 1000.00 -999 ? >ASP^A 44 58.63 68.78 -34.80 58.21 69.79 -32.98 58.42 69.28 -33.89 2 0 1000.00 -999 ? >ARG^A 45 62.37 65.22 -38.47 64.58 67.44 -37.96 63.47 66.33 -38.22 2 0 1000.00 -999 ? >LEU^A 46 55.26 64.96 -39.76 53.12 65.31 -39.65 54.19 65.13 -39.70 3 0 1000.00 -999 ? >ILE^A 47 56.63 59.23 -39.20 57.89 58.45 -38.90 57.26 58.84 -39.05 3 0 1000.00 -999 ? >ILE^A 48 51.99 60.73 -42.81 50.88 61.67 -42.89 51.44 61.20 -42.85 3 0 1000.00 -999 ? >ASP^A 49 52.82 54.85 -42.72 53.23 53.12 -43.90 53.02 53.99 -43.31 2 0 1000.00 -999 ? >GLU.A 50 48.47 58.01 -46.60 47.54 59.06 -48.22 48.01 58.54 -47.41 2 0 1000.00 -999 ? >GLN.A 51 51.33 51.77 -48.39 52.76 50.44 -49.32 52.05 51.10 -48.85 2 0 1000.00 -999 ? >ARG.A 52 53.11 49.09 -42.45 55.03 49.13 -44.95 54.07 49.11 -43.70 2 0 1000.00 -999 ? >ASP.A 53 45.97 53.13 -41.34 44.79 53.45 -43.03 45.38 53.29 -42.18 2 0 1000.00 -999 ? >GLN^A 54 51.11 52.54 -38.73 50.12 51.89 -36.97 50.61 52.21 -37.85 2 0 1000.00 -999 ? >TYR^A 55 48.15 58.76 -39.63 46.81 57.58 -41.84 47.48 58.17 -40.73 3 0 1000.00 -999 ? >LEU^A 56 53.85 58.76 -35.45 55.56 58.38 -34.07 54.70 58.57 -34.76 3 0 1000.00 -999 ? >TRP^A 57 55.50 66.06 -34.12 52.91 68.48 -32.44 54.21 67.27 -33.28 3 0 1000.00 -999 ? >LEU^A 58 58.42 61.58 -32.57 60.08 60.84 -33.84 59.25 61.21 -33.21 3 0 1000.00 -999 ? >CYH^A 59 60.56 65.22 -31.54 60.29 66.07 -28.95 60.43 65.64 -30.24 2 0 1000.00 -999 ? >CYH^A 60 64.20 64.08 -31.61 65.66 61.93 -32.70 64.93 63.00 -32.16 2 0 1000.00 -999 ? >GLY^A 61 67.63 65.55 -30.86 67.35 65.12 -30.20 67.49 65.33 -30.53 1 0 1000.00 -999 ? >TRP^A 62 71.55 64.66 -30.06 72.65 62.00 -27.35 72.10 63.33 -28.70 3 0 1000.00 -999 ? >ASP^A 63 68.00 68.92 -24.34 67.66 70.50 -22.97 67.83 69.71 -23.65 2 0 1000.00 -999 ? >GLY.A 64 72.98 69.48 -24.14 72.54 68.79 -24.54 72.76 69.13 -24.34 1 0 1000.00 -999 ? >LYS.A 65 74.11 65.96 -23.13 76.66 65.04 -17.29 75.38 65.50 -20.21 2 0 1000.00 -999 ? >ARG^A 67 68.80 61.15 -28.26 68.48 61.11 -31.33 68.64 61.13 -29.80 2 0 1000.00 -999 ? >VAL^A 68 65.48 63.63 -26.50 64.53 65.60 -26.16 65.00 64.62 -26.33 3 0 1000.00 -999 ? >GLN^A 69 63.59 59.11 -29.92 64.84 57.44 -30.26 64.21 58.27 -30.09 2 0 1000.00 -999 ? >HIS^A 70 58.33 63.33 -26.02 56.52 63.72 -25.04 57.43 63.52 -25.53 3 0 1000.00 -999 ? >ILE^A 71 55.65 59.33 -29.23 55.25 58.07 -29.81 55.45 58.70 -29.52 3 0 1000.00 -999 ? >ILE^A 72 54.36 65.12 -29.90 54.88 66.49 -29.92 54.62 65.80 -29.91 3 0 1000.00 -999 ? >LEU^A 73 50.38 63.87 -31.90 48.40 64.80 -31.84 49.39 64.33 -31.87 3 0 1000.00 -999 ? >TYR^A 74 51.29 56.65 -32.33 51.44 54.04 -33.43 51.37 55.35 -32.88 3 0 1000.00 -999 ? >LEU^A 75 46.27 58.82 -34.88 45.32 60.49 -33.84 45.80 59.65 -34.36 3 0 1000.00 -999 ? >GLN^A 76 46.71 52.61 -34.54 47.64 50.71 -34.22 47.17 51.66 -34.38 2 0 1000.00 -999 ? >ILE^A 77 42.81 53.60 -39.39 41.83 54.35 -40.20 42.32 53.98 -39.80 3 0 1000.00 -999 ? >GLN^A 78 43.64 49.24 -34.88 45.16 48.35 -33.63 44.40 48.79 -34.25 2 0 1000.00 -999 ? >ASN.A 79 39.12 46.51 -36.44 39.96 44.57 -36.60 39.54 45.54 -36.52 2 0 1000.00 -999 ? >GLY.A 80 37.80 50.55 -39.15 38.12 50.51 -38.45 37.96 50.53 -38.80 1 0 1000.00 -999 ? >LYS^A 81 38.42 52.60 -35.95 34.22 50.01 -32.22 36.32 51.30 -34.08 2 0 1000.00 -999 ? >ILE^A 82 40.39 56.94 -35.20 40.43 58.21 -35.83 40.41 57.57 -35.52 3 0 1000.00 -999 ? >TRP^A 83 42.19 51.75 -33.11 42.16 49.60 -29.83 42.17 50.67 -31.47 3 0 1000.00 -999 ? >ILE^A 84 43.68 58.82 -29.71 43.24 60.18 -29.79 43.46 59.50 -29.75 3 0 1000.00 -999 ? >GLU^A 85 48.05 54.40 -30.77 47.06 52.67 -29.99 47.56 53.54 -30.38 2 0 1000.00 -999 ? >GLU^A 86 51.56 60.53 -27.20 51.61 60.18 -25.10 51.58 60.35 -26.15 2 0 1000.00 -999 ? >ASP.A 87 46.05 62.76 -27.01 44.93 64.58 -27.32 45.49 63.67 -27.17 2 0 1000.00 -999 ? >SER.A 88 49.22 66.27 -26.76 49.88 66.81 -29.05 49.55 66.54 -27.91 2 0 1000.00 -999 ? >THR.A 89 45.97 68.26 -27.29 45.47 67.50 -29.31 45.72 67.88 -28.30 2 0 1000.00 -999 ? >ASN.A 90 43.74 68.88 -23.37 45.61 69.37 -22.47 44.68 69.13 -22.92 2 0 1000.00 -999 ? >LEU~A 91 40.07 65.33 -25.59 40.05 63.39 -24.62 40.06 64.36 -25.11 3 0 1000.00 -999 ? >ALA~A 92 40.98 68.84 -28.93 41.92 70.11 -29.03 41.45 69.48 -28.98 2 0 1000.00 -999 ? >ILE~A 93 43.05 65.39 -31.91 44.34 64.80 -31.58 43.69 65.09 -31.74 3 0 1000.00 -999 ? >VAL~A 94 38.74 64.20 -30.68 38.36 62.65 -29.12 38.55 63.42 -29.90 3 0 1000.00 -999 ? >ASP~A 95 36.83 68.69 -30.01 35.09 69.90 -30.02 35.96 69.30 -30.01 2 0 1000.00 -999 ? >GLU~A 96 39.56 69.79 -34.26 41.56 70.40 -34.53 40.56 70.10 -34.39 2 0 1000.00 -999 ? >MET?A 97 37.01 64.32 -35.35 39.79 61.43 -33.89 38.40 62.88 -34.62 2 0 1000.00 -999 ? >LEU~A 98 33.03 64.97 -32.58 33.03 63.36 -31.01 33.03 64.16 -31.80 3 0 1000.00 -999 ? >VAL~A 99 33.06 68.00 -36.06 33.67 70.09 -35.63 33.36 69.04 -35.84 3 0 1000.00 -999 ? >ALA~A 100 34.31 65.95 -39.08 35.76 65.51 -39.26 35.04 65.73 -39.17 2 0 1000.00 -999 ? >GLY.A 101 31.31 63.52 -38.54 32.02 63.34 -38.28 31.66 63.43 -38.41 1 0 1000.00 -999 ? >ILE.A 102 34.89 60.61 -36.88 36.19 60.06 -37.29 35.54 60.33 -37.08 3 0 1000.00 -999 ? >PRO~A 103 30.85 57.07 -36.17 31.43 59.00 -35.19 31.14 58.04 -35.68 3 0 1000.00 -999 ? >GLN~A 104 30.88 58.80 -29.12 30.58 59.92 -27.31 30.73 59.36 -28.21 2 0 1000.00 -999 ? >THR~A 105 32.15 54.60 -31.29 30.09 54.07 -31.66 31.12 54.34 -31.48 2 0 1000.00 -999 ? >ASP.A 106 34.45 55.10 -35.57 33.26 53.61 -36.54 33.85 54.35 -36.06 2 0 1000.00 -999 ? >ILE^A 107 37.01 58.12 -31.56 37.21 59.54 -31.78 37.11 58.83 -31.67 3 0 1000.00 -999 ? >ILE^A 108 39.76 53.20 -29.55 38.80 52.31 -28.89 39.28 52.75 -29.22 3 0 1000.00 -999 ? >LEU^A 109 40.85 57.12 -25.39 40.01 59.13 -25.60 40.43 58.13 -25.49 3 0 1000.00 -999 ? >GLY.A 110 44.41 53.86 -26.69 44.29 54.49 -26.19 44.35 54.18 -26.44 1 0 1000.00 -999 ? >PHE.A 111 45.55 58.33 -24.25 43.45 60.19 -24.63 44.50 59.26 -24.44 3 0 1000.00 -999 ? >HIS.A 112 41.02 56.11 -20.93 38.94 55.87 -20.79 39.98 55.99 -20.86 3 0 1000.00 -999 ? >HIS~A 113 44.03 49.73 -18.38 44.41 47.70 -18.08 44.22 48.72 -18.23 3 0 1000.00 -999 ? >PRO~A 114 42.76 47.93 -22.61 41.50 49.38 -21.49 42.13 48.65 -22.05 3 0 1000.00 -999 ? >SER~A 115 39.15 48.54 -18.31 40.75 49.46 -16.72 39.95 49.00 -17.52 2 0 1000.00 -999 ? >LYS~A 116 37.72 52.16 -18.46 42.93 53.13 -15.62 40.33 52.64 -17.04 2 0 1000.00 -999 ? >ARG~A 117 39.06 51.49 -24.32 41.92 50.83 -25.29 40.49 51.16 -24.81 2 0 1000.00 -999 ? >GLY.A 118 33.52 48.90 -21.55 33.55 49.54 -21.06 33.54 49.22 -21.31 1 0 1000.00 -999 ? >ASP~B 2 70.90 58.16 -58.99 71.77 56.32 -59.71 71.33 57.24 -59.35 2 0 1000.00 -999 ? >LYS~B 3 71.87 58.18 -54.65 74.93 61.88 -50.29 73.40 60.03 -52.47 2 0 1000.00 -999 ? >LEU~B 4 67.90 60.33 -52.77 68.85 61.51 -51.15 68.38 60.92 -51.96 3 0 1000.00 -999 ? >THR~B 5 66.47 56.30 -54.39 66.17 56.86 -56.47 66.32 56.58 -55.43 2 0 1000.00 -999 ? >HIS~B 6 71.49 52.67 -53.54 72.61 51.11 -52.71 72.05 51.89 -53.13 3 0 1000.00 -999 ? >TYR~B 7 71.32 56.52 -49.61 74.09 57.13 -49.74 72.70 56.82 -49.68 3 0 1000.00 -999 ? >ARG~B 8 63.28 57.57 -51.17 63.80 60.62 -51.76 63.54 59.09 -51.47 2 0 1000.00 -999 ? >HIS~B 9 65.71 49.34 -52.82 65.49 47.31 -53.31 65.60 48.32 -53.06 3 0 1000.00 -999 ? >THR~B 10 68.23 50.07 -48.86 70.43 50.28 -49.04 69.33 50.17 -48.95 2 0 1000.00 -999 ? >ILE~B 11 67.23 52.80 -44.87 66.86 53.41 -44.54 67.05 53.10 -44.70 3 0 1000.00 -999 ? >GLN~B 12 61.94 52.11 -47.30 60.80 52.80 -48.95 61.37 52.45 -48.13 2 0 1000.00 -999 ? >GLU~B 13 65.76 44.92 -48.66 67.22 44.58 -50.21 66.49 44.75 -49.43 2 0 1000.00 -999 ? >ILE~B 14 67.88 47.79 -43.57 69.24 48.16 -43.25 68.56 47.97 -43.41 3 0 1000.00 -999 ? >ILE~B 15 63.25 49.47 -41.52 62.15 50.43 -41.29 62.70 49.95 -41.41 3 0 1000.00 -999 ? >LYS~B 16 61.43 45.37 -42.99 58.03 47.56 -47.92 59.73 46.47 -45.45 2 0 1000.00 -999 ? >LYS~B 17 64.10 42.60 -42.65 69.72 39.97 -44.36 66.91 41.28 -43.51 2 0 1000.00 -999 ? >TYR~B 18 67.02 43.90 -38.54 69.73 43.33 -39.14 68.37 43.62 -38.84 3 0 1000.00 -999 ? >TYR~B 19 58.56 44.91 -38.72 55.86 45.10 -37.85 57.21 45.00 -38.28 3 0 1000.00 -999 ? >ASP~B 20 60.07 40.07 -41.49 58.75 41.16 -42.79 59.41 40.61 -42.14 2 0 1000.00 -999 ? >LEU~B 21 64.32 39.17 -38.38 66.16 38.05 -38.25 65.24 38.61 -38.31 3 0 1000.00 -999 ? >SER~B 22 61.53 39.85 -34.76 61.67 41.30 -32.84 61.60 40.58 -33.80 2 0 1000.00 -999 ? >ASN~B 23 56.81 40.24 -34.59 56.80 42.20 -35.46 56.80 41.22 -35.02 2 0 1000.00 -999 ? >SER.B 24 56.50 36.62 -37.92 58.25 34.90 -37.85 57.38 35.76 -37.89 2 0 1000.00 -999 ? >LEU.B 38 43.75 41.38 -32.06 42.37 39.97 -33.04 43.06 40.67 -32.55 3 0 1000.00 -999 ? >PRO.B 39 42.32 45.77 -30.74 44.34 44.85 -30.71 43.33 45.31 -30.73 3 0 1000.00 -999 ? >ASP.B 40 44.21 46.17 -25.86 42.32 47.01 -26.21 43.26 46.59 -26.04 2 0 1000.00 -999 ? >THR.B 41 48.20 43.97 -26.44 47.69 41.96 -27.19 47.95 42.96 -26.81 2 0 1000.00 -999 ? >VAL.B 42 51.82 45.16 -26.83 53.44 45.76 -25.49 52.63 45.46 -26.16 3 0 1000.00 -999 ? >GLY^B 43 52.33 44.82 -30.58 52.64 45.54 -30.27 52.49 45.18 -30.42 1 0 1000.00 -999 ? >ASP^B 44 56.00 45.12 -33.62 57.35 44.44 -32.06 56.67 44.78 -32.84 2 0 1000.00 -999 ? >ARG^B 45 50.86 48.61 -34.96 48.32 46.88 -34.38 49.59 47.74 -34.67 2 0 1000.00 -999 ? >LEU^B 46 56.26 48.75 -39.90 58.19 48.31 -40.80 57.22 48.53 -40.35 3 0 1000.00 -999 ? >ILE^B 47 55.35 54.50 -38.81 54.41 55.23 -37.91 54.88 54.86 -38.36 3 0 1000.00 -999 ? >ILE^B 48 57.43 53.02 -44.38 58.75 52.57 -44.23 58.09 52.79 -44.30 3 0 1000.00 -999 ? >ASP^B 49 56.83 58.82 -43.83 55.91 60.56 -44.64 56.37 59.69 -44.23 2 0 1000.00 -999 ? >ARG.B 52 56.41 64.08 -43.53 53.63 64.19 -44.97 55.02 64.14 -44.25 2 0 1000.00 -999 ? >ASP.B 53 63.46 60.55 -46.05 63.65 60.37 -48.14 63.55 60.46 -47.10 2 0 1000.00 -999 ? >GLN^B 54 60.37 61.24 -41.28 62.15 61.85 -40.31 61.26 61.54 -40.80 2 0 1000.00 -999 ? >TYR^B 55 62.40 55.00 -43.48 62.48 56.18 -46.06 62.44 55.59 -44.77 3 0 1000.00 -999 ? >LEU^B 56 59.59 55.06 -37.03 59.07 55.42 -34.92 59.33 55.24 -35.97 3 0 1000.00 -999 ? >TRP^B 57 59.07 47.72 -35.02 62.19 45.28 -35.05 60.63 46.50 -35.04 3 0 1000.00 -999 ? >LEU^B 58 57.19 52.20 -32.21 55.14 52.96 -32.42 56.17 52.58 -32.32 3 0 1000.00 -999 ? >CYH^B 59 55.88 48.65 -30.11 57.48 47.92 -28.02 56.68 48.29 -29.06 2 0 1000.00 -999 ? >CYH^B 60 52.72 49.91 -28.40 51.01 52.16 -28.49 51.87 51.04 -28.44 2 0 1000.00 -999 ? >GLY^B 61 50.08 48.53 -26.03 50.66 48.92 -25.60 50.37 48.73 -25.81 1 0 1000.00 -999 ? >TRP^B 62 46.75 49.19 -23.45 47.26 52.09 -20.83 47.00 50.64 -22.14 3 0 1000.00 -999 ? >ASP^B 63 52.96 45.23 -20.10 53.93 43.64 -19.05 53.44 44.43 -19.57 2 0 1000.00 -999 ? >GLY.B 64 48.58 44.76 -17.58 48.79 45.45 -18.11 48.68 45.11 -17.85 1 0 1000.00 -999 ? >LYS.B 65 48.27 48.32 -16.12 44.18 48.32 -12.29 46.23 48.32 -14.20 2 0 1000.00 -999 ? >ARG^B 67 50.17 52.93 -23.14 48.78 52.70 -25.88 49.47 52.81 -24.51 2 0 1000.00 -999 ? >VAL^B 68 54.16 50.49 -23.36 54.99 48.44 -23.48 54.58 49.46 -23.42 3 0 1000.00 -999 ? >GLN^B 69 54.01 54.91 -27.33 52.76 56.62 -27.04 53.38 55.76 -27.18 2 0 1000.00 -999 ? >HIS^B 70 60.51 50.59 -26.51 62.56 50.13 -26.59 61.54 50.36 -26.55 3 0 1000.00 -999 ? >ILE^B 71 61.34 54.49 -30.68 61.40 55.71 -31.50 61.37 55.10 -31.09 3 0 1000.00 -999 ? >ILE^B 72 62.02 48.69 -31.91 61.53 47.35 -31.69 61.77 48.02 -31.80 3 0 1000.00 -999 ? >LEU^B 73 64.50 50.08 -35.69 66.23 49.42 -36.85 65.37 49.75 -36.27 3 0 1000.00 -999 ? >TYR^B 74 63.46 57.20 -35.63 62.78 59.79 -36.54 63.12 58.50 -36.08 3 0 1000.00 -999 ? >LEU^B 75 66.31 54.76 -40.34 67.54 53.01 -39.93 66.92 53.89 -40.13 3 0 1000.00 -999 ? >GLN^B 76 66.23 61.09 -39.79 65.87 63.13 -39.29 66.05 62.11 -39.54 2 0 1000.00 -999 ? >ILE^B 77 67.16 59.92 -46.00 67.50 59.08 -47.13 67.33 59.50 -46.57 3 0 1000.00 -999 ? >GLN^B 78 68.25 65.93 -42.21 67.86 66.23 -40.13 68.06 66.08 -41.17 2 0 1000.00 -999 ? >ASN.B 79 71.51 67.18 -45.33 70.31 68.67 -44.33 70.91 67.92 -44.83 2 0 1000.00 -999 ? >GLY.B 80 71.68 63.16 -48.32 71.70 63.19 -47.54 71.69 63.18 -47.93 1 0 1000.00 -999 ? >LYS^B 81 72.75 61.12 -45.22 78.38 63.82 -44.32 75.56 62.47 -44.77 2 0 1000.00 -999 ? >ILE^B 82 71.43 56.72 -43.67 71.04 55.46 -44.23 71.24 56.09 -43.95 3 0 1000.00 -999 ? >TRP^B 83 70.79 62.11 -40.79 72.14 64.13 -37.69 71.47 63.12 -39.24 3 0 1000.00 -999 ? >ILE^B 84 71.25 54.87 -37.16 71.64 53.49 -37.43 71.45 54.18 -37.30 3 0 1000.00 -999 ? >GLU^B 85 67.03 59.54 -35.86 68.23 61.29 -35.57 67.63 60.42 -35.72 2 0 1000.00 -999 ? >GLU^B 86 65.65 53.57 -30.92 66.80 53.78 -29.12 66.23 53.68 -30.02 2 0 1000.00 -999 ? >ASP.B 87 70.37 51.11 -33.45 71.17 49.29 -34.27 70.77 50.20 -33.86 2 0 1000.00 -999 ? >SER.B 88 68.00 47.58 -31.50 66.30 46.85 -33.06 67.15 47.22 -32.28 2 0 1000.00 -999 ? >THR.B 89 70.53 45.44 -33.52 70.10 46.15 -35.55 70.32 45.79 -34.53 2 0 1000.00 -999 ? >ASN.B 90 74.30 45.31 -30.95 73.14 45.17 -29.14 73.72 45.24 -30.04 2 0 1000.00 -999 ? >LEU~B 91 76.24 48.76 -34.95 76.42 50.87 -34.37 76.33 49.82 -34.66 3 0 1000.00 -999 ? >ALA~B 92 74.07 44.89 -37.28 73.21 43.69 -36.87 73.64 44.29 -37.08 2 0 1000.00 -999 ? >ILE~B 93 70.84 48.16 -39.25 69.84 48.79 -38.36 70.34 48.48 -38.80 3 0 1000.00 -999 ? >VAL~B 94 75.29 49.29 -40.35 76.58 50.73 -39.30 75.94 50.01 -39.83 3 0 1000.00 -999 ? >ASP~B 95 77.08 44.79 -41.18 78.51 44.80 -39.61 77.80 44.80 -40.39 2 0 1000.00 -999 ? >GLU~B 96 72.51 43.98 -43.10 70.66 43.01 -42.94 71.58 43.50 -43.02 2 0 1000.00 -999 ? >MET?B 97 74.23 49.46 -45.33 72.71 52.30 -42.54 73.47 50.88 -43.93 2 0 1000.00 -999 ? >LEU~B 98 79.12 48.81 -45.02 79.96 50.29 -43.66 79.54 49.55 -44.34 3 0 1000.00 -999 ? >VAL~B 99 77.24 45.81 -47.99 76.99 43.67 -47.43 77.11 44.74 -47.71 3 0 1000.00 -999 ? >ALA~B 100 74.66 47.91 -49.98 73.28 48.35 -49.44 73.97 48.13 -49.71 2 0 1000.00 -999 ? >GLY.B 101 77.48 50.37 -51.04 76.97 50.53 -50.47 77.22 50.45 -50.75 1 0 1000.00 -999 ? >ILE.B 102 75.32 53.11 -47.61 73.96 53.54 -47.19 74.64 53.32 -47.40 3 0 1000.00 -999 ? >PRO~B 103 79.28 56.64 -48.83 79.17 54.63 -47.83 79.22 55.64 -48.33 3 0 1000.00 -999 ? >THR~B 105 80.58 59.13 -44.40 82.03 59.52 -45.98 81.31 59.32 -45.19 2 0 1000.00 -999 ? >ASP.B 106 76.37 58.66 -46.75 77.14 60.01 -48.23 76.75 59.34 -47.49 2 0 1000.00 -999 ? >ILE^B 107 76.26 55.68 -41.81 75.99 54.20 -41.77 76.13 54.94 -41.79 3 0 1000.00 -999 ? >ILE^B 108 74.67 60.68 -38.92 74.85 62.13 -38.93 74.76 61.40 -38.92 3 0 1000.00 -999 ? >LEU^B 109 75.70 56.81 -34.63 76.27 54.82 -35.34 75.98 55.81 -34.98 3 0 1000.00 -999 ? >GLY.B 110 72.09 60.16 -34.15 72.40 59.49 -33.77 72.25 59.82 -33.96 1 0 1000.00 -999 ? >PHE.B 111 72.17 55.61 -31.23 73.84 53.52 -32.10 73.01 54.57 -31.67 3 0 1000.00 -999 ? >HIS.B 112 77.10 57.13 -30.93 77.58 55.11 -30.67 77.34 56.12 -30.80 3 0 1000.00 -999 ? >HIS~B 113 76.56 64.32 -27.05 76.71 66.38 -26.69 76.63 65.35 -26.87 3 0 1000.00 -999 ? >PRO~B 114 75.34 66.15 -31.26 76.91 64.60 -31.00 76.12 65.38 -31.13 3 0 1000.00 -999 ? >SER~B 115 80.69 65.22 -29.71 80.37 65.17 -27.27 80.53 65.20 -28.49 2 0 1000.00 -999 ? >LYS~B 116 81.08 61.35 -29.64 78.70 56.15 -26.75 79.89 58.75 -28.19 2 0 1000.00 -999 ? >ARG~B 117 77.26 62.18 -34.56 74.49 63.48 -34.05 75.87 62.83 -34.30 2 0 1000.00 -999 ? >GLY.B 118 84.24 61.23 -34.45 83.97 60.71 -33.89 84.10 60.97 -34.17 1 0 1000.00 -999 ? >LEU.B 119 84.72 58.06 -30.68 85.72 56.63 -29.31 85.22 57.35 -30.00 3 0 1000.00 -999 ? >THR.B 120 83.50 55.82 -34.42 81.40 55.40 -34.94 82.45 55.61 -34.68 2 0 1000.00 -999 ? >PHE.B 122 79.51 55.09 -38.52 79.58 52.26 -38.24 79.55 53.67 -38.38 3 0 1000.00 -999 ? >ALA.B 123 79.79 60.72 -40.11 78.88 61.10 -41.27 79.34 60.91 -40.69 2 0 1000.00 -999 ? >ILE.B 124 80.57 64.50 -37.13 81.63 64.98 -36.17 81.10 64.74 -36.65 3 0 1000.00 -999 ? >ALA.B 125 76.88 65.62 -39.56 76.94 67.08 -39.08 76.91 66.35 -39.32 2 0 1000.00 -999 ?