REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-SEP-07 2R6U COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; SOURCE 3 ORGANISM_TAXID: 101510; SOURCE 4 STRAIN: RHA1; SOURCE 5 GENE: RHA04853, RHA1_RO04536; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.ZHANG,X.XU,J.GU,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) >LEU.A -4 -1.63 44.55 15.41 -1.29 44.13 17.57 -1.46 44.34 16.49 3 0 1000.00 -999 ? >TYR.A -3 1.58 40.30 11.85 4.18 40.81 10.91 2.88 40.55 11.38 3 0 1000.00 -999 ? >PHE.A -2 -0.07 38.25 17.50 -1.18 40.50 18.76 -0.63 39.38 18.13 3 0 1000.00 -999 ? >GLN.A -1 5.87 34.49 15.77 7.57 33.69 16.82 6.72 34.09 16.30 2 0 1000.00 -999 ? >GLY.A 0 0.19 32.22 14.46 0.35 32.87 14.99 0.27 32.55 14.73 1 0 1000.00 -999 ? >MET.A 1 -2.04 31.96 17.51 -5.08 32.57 15.99 -3.56 32.27 16.75 2 0 1000.00 -999 ? >THR.A 2 1.03 31.41 19.65 2.54 30.46 18.36 1.79 30.93 19.01 2 0 1000.00 -999 ? >GLY.A 3 2.94 33.61 22.01 2.19 33.43 22.24 2.57 33.52 22.12 1 0 1000.00 -999 ? >ARG.A 4 -3.32 34.16 22.46 -5.45 34.20 20.26 -4.38 34.18 21.36 2 0 1000.00 -999 ? >ILE^A 5 1.04 36.26 28.76 2.23 35.86 29.59 1.63 36.06 29.18 3 0 1000.00 -999 ? >VAL^A 6 -1.93 32.47 29.21 -1.53 31.02 27.59 -1.73 31.74 28.40 3 0 1000.00 -999 ? >HIS^A 7 -0.84 29.08 33.71 -0.79 27.76 35.33 -0.81 28.42 34.52 3 0 1000.00 -999 ? >PHE^A 8 -0.64 33.77 37.29 -2.87 33.67 38.98 -1.75 33.72 38.13 3 0 1000.00 -999 ? >GLU^A 9 2.89 28.57 37.48 4.34 27.12 37.06 3.62 27.84 37.27 2 0 1000.00 -999 ? >ILE^A 10 1.92 32.98 42.94 1.42 34.28 43.37 1.67 33.63 43.16 3 0 1000.00 -999 ? >PRO^A 11 7.09 31.81 43.88 5.15 30.69 44.07 6.12 31.25 43.97 3 0 1000.00 -999 ? >PHE^A 12 2.99 28.09 48.36 2.03 25.55 47.82 2.51 26.82 48.09 3 0 1000.00 -999 ? >ASP.A 13 7.59 29.80 52.14 8.82 30.84 50.82 8.20 30.32 51.48 2 0 1000.00 -999 ? >ASP~A 14 3.54 28.71 54.74 2.12 28.00 56.14 2.83 28.35 55.44 2 0 1000.00 -999 ? >GLY~A 15 0.85 26.70 51.22 0.77 26.97 51.97 0.81 26.83 51.60 1 0 1000.00 -999 ? >ASP~A 16 -2.14 26.32 55.05 -2.58 24.26 54.82 -2.36 25.29 54.93 2 0 1000.00 -999 ? >ARG~A 17 1.95 32.75 56.04 4.95 32.11 55.62 3.45 32.43 55.83 2 0 1000.00 -999 ? >ALA~A 18 -0.47 31.56 50.92 0.59 31.01 49.95 0.06 31.28 50.43 2 0 1000.00 -999 ? >ARG~A 19 -3.89 26.39 48.64 -1.74 24.61 49.90 -2.81 25.50 49.27 2 0 1000.00 -999 ? >ALA~A 20 -5.59 31.87 52.67 -5.37 31.68 54.13 -5.48 31.77 53.40 2 0 1000.00 -999 ? >PHE~A 21 -2.08 36.80 51.16 -1.61 39.41 50.25 -1.84 38.11 50.70 3 0 1000.00 -999 ? >TYR~A 22 -3.13 35.02 46.73 -0.70 36.14 46.02 -1.92 35.58 46.38 3 0 1000.00 -999 ? >ARG~A 23 -8.84 30.00 50.04 -7.77 27.11 49.83 -8.30 28.55 49.93 2 0 1000.00 -999 ? >ASP~A 24 -8.20 36.45 52.94 -8.57 34.75 54.13 -8.39 35.60 53.53 2 0 1000.00 -999 ? >ALA~A 25 -7.40 39.36 49.75 -5.93 39.47 49.29 -6.67 39.41 49.52 2 0 1000.00 -999 ? >PHE~A 26 -6.90 39.60 45.49 -4.70 41.20 45.89 -5.80 40.40 45.69 3 0 1000.00 -999 ? >GLY~A 27 -11.55 35.94 46.56 -10.84 35.92 46.17 -11.19 35.93 46.37 1 0 1000.00 -999 ? >TRP.A 28 -7.85 35.80 43.13 -3.94 35.40 42.73 -5.90 35.60 42.93 3 0 1000.00 -999 ? >ALA^A 29 -10.86 30.14 44.05 -11.96 29.69 43.08 -11.41 29.92 43.57 2 0 1000.00 -999 ? >ILE^A 30 -6.96 28.41 45.81 -5.70 29.13 46.07 -6.33 28.77 45.94 3 0 1000.00 -999 ? >ALA^A 31 -7.97 24.01 44.78 -8.90 23.37 43.76 -8.43 23.69 44.27 2 0 1000.00 -999 ? >GLU^A 32 -4.27 22.18 48.05 -3.11 21.33 49.65 -3.69 21.76 48.85 2 0 1000.00 -999 ? >ILE^A 33 -4.46 19.55 41.38 -5.68 19.62 40.68 -5.07 19.59 41.03 3 0 1000.00 -999 ? >PRO.A 34 -6.76 15.15 43.66 -4.70 16.07 43.40 -5.73 15.61 43.53 3 0 1000.00 -999 ? >ASP.A 35 -1.35 12.78 42.91 -2.99 11.63 43.59 -2.17 12.20 43.25 2 0 1000.00 -999 ? >MET.A 36 -0.15 17.22 41.06 -1.36 17.85 37.65 -0.75 17.53 39.35 2 0 1000.00 -999 ? >ASP.A 37 3.29 18.67 43.92 3.61 17.03 45.19 3.45 17.85 44.56 2 0 1000.00 -999 ? >TYR^A 38 -0.58 22.85 40.21 -1.41 24.86 38.50 -1.00 23.86 39.35 3 0 1000.00 -999 ? >SER^A 39 -2.83 24.43 43.58 -2.29 24.64 45.96 -2.56 24.54 44.77 2 0 1000.00 -999 ? >MET^A 40 -5.09 25.58 40.75 -8.03 24.09 38.09 -6.56 24.84 39.42 2 0 1000.00 -999 ? >VAL^A 41 -6.04 29.27 40.93 -4.81 30.79 41.83 -5.42 30.03 41.38 3 0 1000.00 -999 ? >THR^A 42 -9.14 30.71 39.26 -10.74 29.44 38.58 -9.94 30.07 38.92 2 0 1000.00 -999 ? >THR.A 43 -9.07 34.60 39.25 -7.07 35.19 38.46 -8.07 34.90 38.85 2 0 1000.00 -999 ? >GLY.A 44 -11.96 35.03 36.83 -11.75 34.20 36.90 -11.85 34.61 36.86 1 0 1000.00 -999 ? >PRO.A 45 -15.90 35.25 35.17 -14.41 33.59 35.55 -15.15 34.42 35.36 3 0 1000.00 -999 ? >VAL.A 46 -14.48 29.87 33.43 -13.19 28.87 34.89 -13.83 29.37 34.16 3 0 1000.00 -999 ? >GLY.A 47 -16.89 28.02 31.17 -16.26 27.63 31.61 -16.58 27.83 31.39 1 0 1000.00 -999 ? >GLU.A 48 -18.92 22.21 30.36 -20.56 21.45 29.25 -19.74 21.83 29.81 2 0 1000.00 -999 ? >SER.A 49 -14.04 23.84 29.38 -13.46 26.02 28.46 -13.75 24.93 28.92 2 0 1000.00 -999 ? >GLY.A 50 -12.63 25.31 32.65 -12.59 25.66 31.91 -12.61 25.48 32.28 1 0 1000.00 -999 ? >MET.A 51 -10.87 27.98 30.54 -8.12 26.22 29.58 -9.50 27.10 30.06 2 0 1000.00 -999 ? >PRO.A 52 -9.32 32.02 31.27 -11.28 31.04 30.88 -10.30 31.53 31.08 3 0 1000.00 -999 ? >ASP.A 53 -16.09 31.75 29.40 -17.17 32.08 31.16 -16.63 31.92 30.28 2 0 1000.00 -999 ? >GLU.A 54 -16.85 36.92 31.11 -17.67 37.95 32.78 -17.26 37.44 31.95 2 0 1000.00 -999 ? >PRO.A 55 -13.53 39.90 27.39 -12.51 38.24 28.46 -13.02 39.07 27.93 3 0 1000.00 -999 ? >GLY.A 56 -8.91 40.30 29.77 -8.99 39.58 30.07 -8.95 39.94 29.92 1 0 1000.00 -999 ? >TYR.A 57 -9.67 37.14 33.58 -11.93 35.58 33.06 -10.80 36.36 33.32 3 0 1000.00 -999 ? >ILE.A 58 -4.25 34.62 32.63 -3.00 35.06 32.17 -3.63 34.84 32.40 3 0 1000.00 -999 ? >ASN.A 59 -7.02 30.98 35.62 -8.98 31.82 35.73 -8.00 31.40 35.67 2 0 1000.00 -999 ? >GLY^A 60 -2.90 30.32 37.18 -3.54 29.97 37.55 -3.22 30.14 37.37 1 0 1000.00 -999 ? >GLY^A 61 -1.38 28.16 39.81 -1.08 28.93 39.90 -1.23 28.55 39.86 1 0 1000.00 -999 ? >MET^A 62 0.49 28.22 43.15 -2.05 30.75 45.37 -0.78 29.49 44.26 2 0 1000.00 -999 ? >MET^A 63 3.31 25.87 44.00 4.41 26.85 40.40 3.86 26.36 42.20 2 0 1000.00 -999 ? >GLN^A 64 7.11 23.74 48.38 6.21 24.43 50.19 6.66 24.09 49.28 2 0 1000.00 -999 ? >ARG.A 65 10.85 30.54 47.15 8.74 32.78 47.41 9.80 31.66 47.28 2 0 1000.00 -999 ? >GLY.A 66 11.67 25.41 44.24 11.24 25.88 43.65 11.45 25.64 43.95 1 0 1000.00 -999 ? >GLU.A 67 10.29 23.93 38.28 9.39 22.34 37.18 9.84 23.14 37.73 2 0 1000.00 -999 ? >VAL.A 68 9.35 28.19 40.52 7.37 28.69 39.79 8.36 28.44 40.15 3 0 1000.00 -999 ? >THR.A 69 11.33 30.61 42.69 13.32 30.24 42.01 12.32 30.42 42.35 2 0 1000.00 -999 ? >THR.A 70 9.59 33.92 41.98 11.33 35.09 41.42 10.46 34.51 41.70 2 0 1000.00 -999 ? >PRO.A 71 5.79 36.20 41.77 6.90 34.70 40.56 6.34 35.45 41.17 3 0 1000.00 -999 ? >VAL^A 72 6.37 33.26 36.53 7.65 31.55 36.01 7.01 32.40 36.27 3 0 1000.00 -999 ? >VAL^A 73 4.27 34.11 33.53 4.31 36.27 33.22 4.29 35.19 33.37 3 0 1000.00 -999 ? >THR^A 74 3.77 31.46 30.87 3.00 29.59 31.65 3.38 30.52 31.26 2 0 1000.00 -999 ? >VAL^A 75 3.89 31.87 27.10 5.35 33.09 26.03 4.62 32.48 26.57 3 0 1000.00 -999 ? >ASP^A 76 0.35 29.64 24.66 -0.38 28.11 23.47 -0.02 28.88 24.06 2 0 1000.00 -999 ? >VAL.A 77 3.88 28.05 22.08 5.82 28.08 23.10 4.85 28.06 22.59 3 0 1000.00 -999 ? >GLU.A 78 1.96 26.25 17.20 2.03 26.53 15.08 1.99 26.39 16.14 2 0 1000.00 -999 ? >SER~A 79 6.45 23.66 20.14 8.32 22.47 19.09 7.39 23.06 19.62 2 0 1000.00 -999 ? >ILE~A 80 8.34 23.27 24.63 8.16 23.23 26.05 8.25 23.25 25.34 3 0 1000.00 -999 ? >GLU~A 81 10.73 19.81 21.34 8.62 19.43 20.97 9.68 19.62 21.15 2 0 1000.00 -999 ? >SER~A 82 11.30 24.95 18.65 10.10 24.00 16.77 10.70 24.48 17.71 2 0 1000.00 -999 ? >ALA~A 83 10.82 27.80 21.11 9.63 27.95 22.06 10.23 27.88 21.59 2 0 1000.00 -999 ? >LEU~A 84 13.89 25.51 24.12 13.25 25.33 26.17 13.57 25.42 25.15 3 0 1000.00 -999 ? >GLU~A 85 15.93 24.21 19.08 15.94 23.27 17.19 15.94 23.74 18.13 2 0 1000.00 -999 ? >ARG~A 86 12.06 31.96 17.55 10.67 33.55 15.33 11.37 32.76 16.44 2 0 1000.00 -999 ? >ILE~A 87 14.57 30.89 23.88 13.70 30.96 24.94 14.14 30.92 24.41 3 0 1000.00 -999 ? >GLU~A 88 18.73 28.00 24.31 19.85 26.48 25.18 19.29 27.24 24.74 2 0 1000.00 -999 ? >SER~A 89 19.82 31.48 19.50 17.95 31.62 18.01 18.89 31.55 18.75 2 0 1000.00 -999 ? >LEU~A 90 17.02 35.15 20.72 15.79 35.47 18.95 16.41 35.31 19.83 3 0 1000.00 -999 ? >GLY.A 91 20.58 34.98 23.93 19.88 34.58 23.97 20.23 34.78 23.95 1 0 1000.00 -999 ? >GLY.A 92 18.19 33.19 26.29 18.81 32.78 25.87 18.50 32.99 26.08 1 0 1000.00 -999 ? >LYS^A 93 18.80 29.89 28.10 24.15 28.30 31.12 21.47 29.09 29.61 2 0 1000.00 -999 ? >THR^A 94 16.90 26.74 28.99 16.38 25.00 27.85 16.64 25.87 28.42 2 0 1000.00 -999 ? >VAL^A 95 16.29 26.27 32.70 15.75 27.75 34.22 16.02 27.01 33.46 3 0 1000.00 -999 ? >THR^A 96 14.20 23.11 32.37 12.96 23.21 34.08 13.58 23.16 33.22 2 0 1000.00 -999 ? >GLY^A 97 13.23 21.33 29.19 12.78 21.27 29.85 13.01 21.30 29.52 1 0 1000.00 -999 ? >ARG^A 98 8.42 19.26 24.41 6.46 17.17 23.27 7.44 18.21 23.84 2 0 1000.00 -999 ? >THR^A 99 8.13 18.23 30.62 9.08 18.50 32.57 8.60 18.37 31.60 2 0 1000.00 -999 ? >PRO^A 100 5.73 14.54 30.39 5.38 16.74 30.61 5.56 15.64 30.50 3 0 1000.00 -999 ? >VAL^A 101 2.36 18.40 33.10 2.82 20.33 33.92 2.59 19.37 33.51 3 0 1000.00 -999 ? >GLY.A 102 -1.03 16.90 33.91 -0.42 16.70 33.35 -0.73 16.80 33.63 1 0 1000.00 -999 ? >ASN.A 103 -3.96 14.50 31.10 -4.00 13.18 32.74 -3.98 13.84 31.92 2 0 1000.00 -999 ? >MET.A 104 -3.04 18.00 28.37 -6.33 17.67 27.64 -4.68 17.83 28.00 2 0 1000.00 -999 ? >GLY^A 105 0.35 19.49 27.67 0.49 19.04 28.31 0.42 19.27 27.99 1 0 1000.00 -999 ? >PHE^A 106 4.51 18.50 26.63 3.82 16.09 25.50 4.16 17.29 26.07 3 0 1000.00 -999 ? >ALA^A 107 5.83 22.93 30.29 5.45 23.17 31.75 5.64 23.05 31.02 2 0 1000.00 -999 ? >ALA^A 108 9.33 24.34 30.30 10.02 24.17 28.96 9.67 24.26 29.63 2 0 1000.00 -999 ? >TYR^A 109 10.09 26.86 34.08 7.71 26.23 35.31 8.90 26.55 34.69 3 0 1000.00 -999 ? >PHE^A 110 12.74 30.80 28.43 10.83 32.70 27.75 11.78 31.75 28.09 3 0 1000.00 -999 ? >THR^A 111 15.75 32.73 31.17 17.54 32.30 32.26 16.64 32.52 31.71 2 0 1000.00 -999 ? >ASP.A 112 14.01 36.64 28.89 14.09 38.00 30.57 14.05 37.32 29.73 2 0 1000.00 -999 ? >SER.A 113 17.95 38.03 27.59 16.74 39.90 26.60 17.35 38.97 27.10 2 0 1000.00 -999 ? >GLU.A 114 16.06 41.54 29.82 17.68 42.54 28.94 16.87 42.04 29.38 2 0 1000.00 -999 ? >GLY.A 115 17.97 36.87 33.35 17.26 37.12 33.12 17.62 36.99 33.24 1 0 1000.00 -999 ? >ASN.A 116 13.15 37.53 33.67 13.59 39.59 33.96 13.37 38.56 33.81 2 0 1000.00 -999 ? >VAL^A 117 12.76 33.13 34.51 13.18 31.44 35.81 12.97 32.29 35.16 3 0 1000.00 -999 ? >VAL^A 118 9.73 32.76 32.20 9.44 34.43 30.80 9.58 33.60 31.50 3 0 1000.00 -999 ? >GLY^A 119 7.53 29.77 31.45 7.54 30.36 30.90 7.54 30.06 31.17 1 0 1000.00 -999 ? >LEU^A 120 7.49 27.41 27.35 8.91 28.47 26.13 8.20 27.94 26.74 3 0 1000.00 -999 ? >TRP^A 121 -0.03 25.29 27.33 0.20 22.52 30.11 0.08 23.91 28.72 3 0 1000.00 -999 ? >GLU^A 122 3.49 22.01 22.95 5.06 20.76 22.25 4.28 21.38 22.60 2 0 1000.00 -999 ? >THR^A 123 -0.73 22.03 24.34 -2.76 22.75 24.29 -1.75 22.39 24.32 2 0 1000.00 -999 ? >ALA.A 124 -0.40 18.47 23.13 -0.54 17.21 23.98 -0.47 17.84 23.56 2 0 1000.00 -999 ? >ARG.A 125 -1.85 21.99 18.64 -2.06 24.50 20.46 -1.96 23.25 19.55 2 0 1000.00 -999 ? >MET.B 1 -37.89 25.44 55.51 -36.03 25.83 59.06 -36.96 25.63 57.28 2 0 1000.00 -999 ? >THR.B 2 -37.49 25.25 51.72 -38.70 24.15 50.34 -38.10 24.70 51.03 2 0 1000.00 -999 ? >GLY.B 3 -35.28 28.02 50.30 -35.19 27.77 51.07 -35.24 27.90 50.69 1 0 1000.00 -999 ? >ARG.B 4 -36.97 28.76 56.38 -39.68 28.81 57.84 -38.33 28.78 57.11 2 0 1000.00 -999 ? >ILE^B 5 -29.46 30.55 54.71 -28.25 30.18 53.90 -28.85 30.37 54.31 3 0 1000.00 -999 ? >VAL^B 6 -30.39 26.68 57.48 -31.72 25.26 56.44 -31.05 25.97 56.96 3 0 1000.00 -999 ? >HIS^B 7 -25.80 23.26 58.28 -24.40 21.93 59.13 -25.10 22.59 58.70 3 0 1000.00 -999 ? >PHE^B 8 -22.42 27.98 59.61 -21.76 27.71 62.30 -22.09 27.84 60.95 3 0 1000.00 -999 ? >GLU^B 9 -20.87 23.02 56.30 -21.12 21.54 54.80 -21.00 22.28 55.55 2 0 1000.00 -999 ? >ILE^B 10 -16.17 27.23 59.40 -16.00 28.51 60.08 -16.08 27.87 59.74 3 0 1000.00 -999 ? >PRO^B 11 -13.40 26.18 54.87 -13.93 25.06 56.74 -13.66 25.62 55.80 3 0 1000.00 -999 ? >PHE^B 12 -10.81 22.23 60.16 -11.78 19.64 60.66 -11.29 20.94 60.41 3 0 1000.00 -999 ? >ASP.B 13 -5.44 24.09 57.51 -5.97 25.32 55.92 -5.71 24.71 56.72 2 0 1000.00 -999 ? >ASP~B 14 -4.76 22.62 62.16 -4.12 21.74 63.97 -4.44 22.18 63.07 2 0 1000.00 -999 ? >GLY~B 15 -9.10 20.57 63.10 -8.45 20.83 63.46 -8.78 20.70 63.28 1 0 1000.00 -999 ? >ASP~B 16 -6.68 19.99 67.29 -7.09 17.97 67.73 -6.88 18.98 67.51 2 0 1000.00 -999 ? >ARG~B 17 -4.22 26.62 64.27 -3.41 26.50 61.33 -3.82 26.56 62.80 2 0 1000.00 -999 ? >ALA~B 18 -9.93 25.42 64.48 -10.41 24.87 63.17 -10.17 25.15 63.83 2 0 1000.00 -999 ? >ARG~B 19 -13.32 20.05 66.70 -11.34 18.39 64.97 -12.33 19.22 65.83 2 0 1000.00 -999 ? >ALA~B 20 -10.15 25.40 69.85 -8.67 25.18 70.18 -9.41 25.29 70.01 2 0 1000.00 -999 ? >PHE~B 21 -10.23 30.52 66.27 -10.61 33.18 65.59 -10.42 31.85 65.93 3 0 1000.00 -999 ? >TYR~B 22 -14.77 28.81 65.48 -14.41 30.16 63.07 -14.59 29.49 64.27 3 0 1000.00 -999 ? >ARG~B 23 -13.98 23.41 71.78 -13.72 20.56 70.64 -13.85 21.99 71.21 2 0 1000.00 -999 ? >ASP~B 24 -10.87 29.69 72.82 -10.06 27.86 73.61 -10.47 28.77 73.21 2 0 1000.00 -999 ? >ALA~B 25 -13.42 32.88 70.96 -13.00 33.17 69.52 -13.21 33.03 70.24 2 0 1000.00 -999 ? >PHE~B 26 -16.97 33.21 68.50 -15.67 34.98 66.82 -16.32 34.10 67.66 3 0 1000.00 -999 ? >GLY~B 27 -18.16 29.51 73.21 -18.21 29.50 72.43 -18.18 29.51 72.82 1 0 1000.00 -999 ? >TRP.B 28 -19.91 29.48 68.46 -18.79 29.15 64.71 -19.35 29.31 66.58 3 0 1000.00 -999 ? >ALA^B 29 -20.31 23.71 71.35 -21.66 23.28 71.94 -20.99 23.49 71.65 2 0 1000.00 -999 ? >ILE^B 30 -17.16 22.13 68.30 -16.46 22.88 67.23 -16.81 22.50 67.76 3 0 1000.00 -999 ? >ALA^B 31 -18.89 17.75 68.74 -20.27 17.18 69.02 -19.58 17.47 68.88 2 0 1000.00 -999 ? >GLU^B 32 -14.23 16.39 67.00 -12.27 15.64 67.19 -13.25 16.02 67.09 2 0 1000.00 -999 ? >ILE.B 33 -19.43 12.56 63.92 -20.75 12.91 64.39 -20.09 12.73 64.15 3 0 1000.00 -999 ? >MET.B 36 -18.95 11.51 59.56 -22.91 12.49 60.94 -20.93 12.00 60.25 2 0 1000.00 -999 ? >ASP.B 37 -15.01 12.96 57.72 -14.26 10.99 57.54 -14.64 11.98 57.63 2 0 1000.00 -999 ? >TYR.B 38 -19.80 16.88 60.03 -21.77 18.83 60.06 -20.78 17.85 60.04 3 0 1000.00 -999 ? >SER^B 39 -17.59 18.41 63.57 -15.25 18.43 64.14 -16.42 18.42 63.85 2 0 1000.00 -999 ? >MET^B 40 -21.10 19.51 64.52 -24.65 18.15 66.21 -22.87 18.83 65.37 2 0 1000.00 -999 ? >VAL^B 41 -21.32 23.10 65.73 -19.95 24.62 65.09 -20.63 23.86 65.41 3 0 1000.00 -999 ? >THR^B 42 -24.07 24.56 67.98 -25.33 23.35 69.25 -24.70 23.95 68.61 2 0 1000.00 -999 ? >THR.B 43 -23.99 28.38 68.17 -23.95 29.00 66.05 -23.97 28.69 67.11 2 0 1000.00 -999 ? >GLY.B 44 -27.23 28.96 70.11 -27.12 28.13 69.98 -27.17 28.54 70.05 1 0 1000.00 -999 ? >PRO.B 45 -30.40 29.38 73.01 -29.53 27.70 71.79 -29.97 28.54 72.40 3 0 1000.00 -999 ? >VAL.B 46 -31.35 23.90 70.76 -29.44 22.96 70.23 -30.39 23.43 70.49 3 0 1000.00 -999 ? >GLY.B 47 -34.42 21.79 71.59 -33.69 21.46 71.34 -34.05 21.63 71.47 1 0 1000.00 -999 ? >GLU.B 48 -35.90 17.95 74.53 -37.04 16.69 75.80 -36.47 17.32 75.17 2 0 1000.00 -999 ? >SER.B 49 -34.65 17.52 68.55 -35.26 19.55 67.36 -34.96 18.53 67.96 2 0 1000.00 -999 ? >GLY.B 50 -31.30 19.35 68.71 -31.94 19.68 68.31 -31.62 19.51 68.51 1 0 1000.00 -999 ? >MET.B 51 -32.41 22.08 66.29 -31.71 20.15 63.83 -32.06 21.11 65.06 2 0 1000.00 -999 ? >PRO.B 52 -31.31 26.17 65.16 -32.47 25.16 66.78 -31.89 25.67 65.97 3 0 1000.00 -999 ? >ASP.B 53 -35.66 25.59 70.76 -34.40 26.08 72.38 -35.03 25.84 71.57 2 0 1000.00 -999 ? >GLU.B 54 -34.70 30.56 71.87 -33.79 31.76 73.35 -34.24 31.16 72.61 2 0 1000.00 -999 ? >PRO.B 55 -36.92 33.67 67.36 -35.41 32.12 66.85 -36.16 32.90 67.11 3 0 1000.00 -999 ? >GLY.B 56 -32.55 34.26 64.37 -32.33 33.51 64.51 -32.44 33.89 64.44 1 0 1000.00 -999 ? >TYR.B 57 -29.49 31.04 66.63 -30.91 29.52 68.51 -30.20 30.28 67.57 3 0 1000.00 -999 ? >ILE.B 58 -28.13 28.66 61.14 -28.04 29.14 59.83 -28.08 28.90 60.49 3 0 1000.00 -999 ? >ASN.B 59 -26.41 24.81 64.58 -27.30 25.60 66.35 -26.85 25.20 65.47 2 0 1000.00 -999 ? >GLY^B 60 -23.36 24.45 61.43 -23.31 24.01 62.09 -23.33 24.23 61.76 1 0 1000.00 -999 ? >GLY^B 61 -20.35 22.26 60.90 -20.17 23.03 60.70 -20.26 22.64 60.80 1 0 1000.00 -999 ? >MET^B 62 -16.59 22.32 60.58 -15.55 24.70 63.83 -16.07 23.51 62.20 2 0 1000.00 -999 ? >MET^B 63 -14.81 20.12 58.05 -17.96 18.24 56.03 -16.38 19.18 57.04 2 0 1000.00 -999 ? >GLN^B 64 -9.23 18.13 56.21 -7.86 18.77 57.71 -8.55 18.45 56.96 2 0 1000.00 -999 ? >ARG.B 65 -8.81 25.14 52.79 -9.23 27.20 55.06 -9.02 26.17 53.93 2 0 1000.00 -999 ? >GLY.B 66 -11.09 20.09 50.46 -11.71 20.68 50.55 -11.40 20.39 50.50 1 0 1000.00 -999 ? >GLU.B 67 -16.91 19.02 48.73 -18.33 17.58 49.38 -17.62 18.30 49.05 2 0 1000.00 -999 ? >VAL.B 68 -15.23 23.07 50.83 -16.89 23.43 52.33 -16.06 23.25 51.58 3 0 1000.00 -999 ? >THR.B 69 -12.32 25.56 50.65 -11.83 25.59 48.51 -12.08 25.58 49.58 2 0 1000.00 -999 ? >THR.B 70 -13.92 28.69 52.18 -13.69 29.92 50.43 -13.80 29.31 51.30 2 0 1000.00 -999 ? >PRO.B 71 -15.68 30.61 55.73 -16.36 29.24 54.08 -16.02 29.93 54.90 3 0 1000.00 -999 ? >VAL^B 72 -20.29 28.05 52.90 -20.21 26.53 51.35 -20.25 27.29 52.13 3 0 1000.00 -999 ? >VAL^B 73 -23.95 28.63 53.68 -24.31 30.79 53.68 -24.13 29.71 53.68 3 0 1000.00 -999 ? >THR^B 74 -26.49 25.94 52.88 -25.97 23.97 53.49 -26.23 24.96 53.19 2 0 1000.00 -999 ? >VAL^B 75 -29.97 26.28 51.34 -30.43 27.61 49.65 -30.20 26.95 50.50 3 0 1000.00 -999 ? >ASP^B 76 -33.61 23.87 53.52 -34.88 22.19 53.68 -34.25 23.03 53.60 2 0 1000.00 -999 ? >VAL.B 77 -34.39 22.39 49.16 -32.71 22.59 47.71 -33.55 22.49 48.44 3 0 1000.00 -999 ? >GLU.B 78 -39.38 18.89 47.89 -40.14 18.47 49.82 -39.76 18.68 48.86 2 0 1000.00 -999 ? >SER~B 79 -34.97 18.08 45.82 -35.09 16.98 43.69 -35.03 17.53 44.75 2 0 1000.00 -999 ? >ILE~B 80 -30.11 17.74 45.99 -28.89 17.73 46.72 -29.50 17.74 46.35 3 0 1000.00 -999 ? >GLU~B 81 -31.35 14.39 42.08 -29.33 14.09 41.41 -30.34 14.24 41.74 2 0 1000.00 -999 ? >SER~B 82 -34.26 19.47 40.78 -36.39 18.39 41.07 -35.33 18.93 40.93 2 0 1000.00 -999 ? >ALA~B 83 -32.36 22.34 42.40 -32.03 22.50 43.88 -32.20 22.42 43.14 2 0 1000.00 -999 ? >LEU~B 84 -28.22 20.30 40.90 -26.65 20.12 42.41 -27.43 20.21 41.66 3 0 1000.00 -999 ? >GLU~B 85 -32.51 20.62 35.45 -34.40 19.74 35.00 -33.45 20.18 35.23 2 0 1000.00 -999 ? >ARG~B 86 -35.11 26.47 40.09 -37.52 27.85 38.79 -36.32 27.16 39.44 2 0 1000.00 -999 ? >ILE~B 87 -28.38 25.70 40.31 -27.84 25.77 41.55 -28.11 25.73 40.93 3 0 1000.00 -999 ? >GLU~B 88 -26.20 22.81 36.69 -25.09 21.15 36.00 -25.64 21.98 36.34 2 0 1000.00 -999 ? >SER~B 89 -30.07 26.42 33.78 -32.29 26.68 34.75 -31.18 26.55 34.27 2 0 1000.00 -999 ? >LEU~B 90 -30.25 30.06 36.87 -32.35 30.23 37.34 -31.30 30.15 37.11 3 0 1000.00 -999 ? >GLY.B 91 -25.84 29.94 34.96 -26.06 29.52 35.59 -25.95 29.73 35.27 1 0 1000.00 -999 ? >GLY.B 92 -24.52 28.19 38.07 -24.67 27.79 37.31 -24.59 27.99 37.69 1 0 1000.00 -999 ? >LYS^B 93 -22.58 24.92 38.15 -18.19 27.88 35.83 -20.38 26.40 36.99 2 0 1000.00 -999 ? >THR^B 94 -22.65 21.70 40.15 -23.85 19.92 40.08 -23.25 20.81 40.11 2 0 1000.00 -999 ? >VAL^B 95 -19.59 21.23 42.36 -18.50 22.63 43.66 -19.04 21.93 43.01 3 0 1000.00 -999 ? >THR^B 96 -20.72 17.99 44.06 -19.65 17.31 45.81 -20.18 17.65 44.93 2 0 1000.00 -999 ? >GLY^B 97 -23.99 16.14 43.33 -23.56 16.07 44.02 -23.77 16.11 43.68 1 0 1000.00 -999 ? >ARG^B 98 -30.16 13.57 45.80 -31.88 11.51 47.21 -31.02 12.54 46.51 2 0 1000.00 -999 ? >THR^B 99 -24.63 12.79 48.51 -22.48 13.12 48.44 -23.55 12.96 48.47 2 0 1000.00 -999 ? >PRO^B 100 -25.86 9.02 50.43 -25.72 11.19 50.94 -25.79 10.10 50.68 3 0 1000.00 -999 ? >VAL^B 101 -24.67 12.77 54.80 -23.75 14.74 54.81 -24.21 13.75 54.80 3 0 1000.00 -999 ? >GLY.B 102 -25.24 11.33 58.24 -25.51 11.07 57.49 -25.37 11.20 57.87 1 0 1000.00 -999 ? >ASN.B 103 -28.92 8.96 60.16 -27.56 7.61 61.01 -28.24 8.28 60.58 2 0 1000.00 -999 ? >MET.B 104 -31.12 12.13 57.97 -33.11 11.47 60.52 -32.11 11.80 59.25 2 0 1000.00 -999 ? >GLY^B 105 -30.49 13.65 54.55 -29.83 13.26 54.69 -30.16 13.45 54.62 1 0 1000.00 -999 ? >PHE^B 106 -29.80 12.85 50.32 -31.10 10.40 50.45 -30.45 11.62 50.38 3 0 1000.00 -999 ? >ALA^B 107 -26.00 17.40 50.65 -24.86 17.64 51.63 -25.43 17.52 51.14 2 0 1000.00 -999 ? >ALA^B 108 -24.62 18.98 47.51 -25.58 18.85 46.34 -25.10 18.92 46.92 2 0 1000.00 -999 ? >TYR^B 109 -21.00 21.62 48.40 -20.78 20.95 51.05 -20.89 21.29 49.72 3 0 1000.00 -999 ? >PHE^B 110 -25.11 25.58 43.87 -26.61 27.45 45.34 -25.86 26.51 44.61 3 0 1000.00 -999 ? >THR^B 111 -21.36 27.66 42.42 -19.50 27.27 41.36 -20.43 27.46 41.89 2 0 1000.00 -999 ? >ASP.B 112 -24.12 31.54 42.97 -22.63 32.91 43.60 -23.38 32.22 43.28 2 0 1000.00 -999 ? >SER.B 113 -23.58 33.03 38.91 -25.00 34.85 39.63 -24.29 33.94 39.27 2 0 1000.00 -999 ? >GLU.B 114 -22.29 36.47 41.58 -22.44 37.52 39.79 -22.36 37.00 40.68 2 0 1000.00 -999 ? >GLY.B 115 -18.57 31.65 41.19 -19.03 31.96 41.76 -18.80 31.81 41.47 1 0 1000.00 -999 ? >ASN.B 116 -20.15 32.40 45.77 -19.73 34.45 45.43 -19.94 33.42 45.60 2 0 1000.00 -999 ? >VAL^B 117 -19.67 27.97 46.42 -18.30 26.30 46.60 -18.99 27.13 46.51 3 0 1000.00 -999 ? >VAL^B 118 -23.03 27.45 48.15 -24.52 29.02 47.85 -23.77 28.23 48.00 3 0 1000.00 -999 ? >GLY^B 119 -24.48 24.34 49.77 -24.97 24.91 49.54 -24.72 24.63 49.66 1 0 1000.00 -999 ? >LEU^B 120 -28.15 21.90 48.11 -28.74 23.07 46.35 -28.44 22.48 47.23 3 0 1000.00 -999 ? >TRP^B 121 -31.26 19.51 54.87 -28.64 16.74 55.86 -29.95 18.12 55.36 3 0 1000.00 -999 ? >GLU^B 122 -33.60 16.28 49.68 -33.51 15.11 47.94 -33.56 15.69 48.81 2 0 1000.00 -999 ? >THR^B 123 -34.04 16.17 54.24 -34.99 16.86 56.05 -34.52 16.52 55.15 2 0 1000.00 -999 ? >ALA.B 124 -34.84 12.56 53.45 -34.10 11.34 54.01 -34.47 11.95 53.73 2 0 1000.00 -999 ? >ARG.B 125 -39.65 15.84 53.10 -38.01 18.40 53.76 -38.83 17.12 53.43 2 0 1000.00 -999 ? >GLN.C -1 -17.04 48.91 35.74 -15.77 48.96 34.01 -16.40 48.93 34.88 2 0 1000.00 -999 ? >GLY.C 0 -16.73 43.45 38.39 -16.05 43.69 38.00 -16.39 43.57 38.19 1 0 1000.00 -999 ? >MET.C 1 -13.19 42.38 37.56 -12.21 43.26 33.60 -12.70 42.82 35.58 2 0 1000.00 -999 ? >THR.C 2 -11.80 42.70 41.08 -13.42 43.28 42.38 -12.61 42.99 41.73 2 0 1000.00 -999 ? >GLY.C 3 -9.18 40.04 41.82 -9.20 40.35 41.05 -9.19 40.19 41.43 1 0 1000.00 -999 ? >ARG.C 4 -11.56 39.64 35.67 -14.24 39.39 34.09 -12.90 39.51 34.88 2 0 1000.00 -999 ? >ILE^C 5 -4.05 37.72 37.01 -2.76 38.11 37.68 -3.41 37.92 37.35 3 0 1000.00 -999 ? >VAL^C 6 -5.16 41.49 34.13 -6.49 42.92 35.16 -5.82 42.20 34.65 3 0 1000.00 -999 ? >HIS^C 7 -0.64 44.86 32.89 0.74 46.16 31.99 0.05 45.51 32.44 3 0 1000.00 -999 ? >PHE^C 8 2.71 40.12 31.56 3.22 40.28 28.80 2.96 40.20 30.18 3 0 1000.00 -999 ? >GLU^C 9 4.36 45.38 34.74 4.73 46.88 36.15 4.55 46.13 35.44 2 0 1000.00 -999 ? >ILE^C 10 8.96 41.19 31.45 9.19 39.89 30.80 9.08 40.54 31.13 3 0 1000.00 -999 ? >PRO^C 11 11.93 42.54 35.80 11.25 43.53 33.90 11.59 43.03 34.85 3 0 1000.00 -999 ? >PHE^C 12 14.09 46.26 30.06 13.03 48.77 29.41 13.56 47.52 29.73 3 0 1000.00 -999 ? >ASP.C 13 19.58 44.89 32.59 19.03 43.74 34.25 19.31 44.32 33.42 2 0 1000.00 -999 ? >ASP~C 14 20.02 46.02 27.78 20.62 46.90 25.94 20.32 46.46 26.86 2 0 1000.00 -999 ? >GLY~C 15 15.60 47.89 26.93 16.26 47.61 26.55 15.93 47.75 26.74 1 0 1000.00 -999 ? >ASP~C 16 17.64 48.19 22.50 17.16 50.20 22.04 17.40 49.19 22.27 2 0 1000.00 -999 ? >ARG~C 17 20.62 41.94 25.81 21.53 42.29 28.69 21.08 42.11 27.25 2 0 1000.00 -999 ? >ALA~C 18 14.90 42.91 25.91 14.47 43.50 27.23 14.69 43.21 26.57 2 0 1000.00 -999 ? >ARG~C 19 11.25 47.94 23.67 13.21 49.85 25.13 12.23 48.89 24.40 2 0 1000.00 -999 ? >ALA~C 20 14.32 42.62 20.45 15.73 42.91 20.01 15.02 42.77 20.23 2 0 1000.00 -999 ? >PHE~C 21 14.76 37.75 24.29 14.30 35.16 25.20 14.53 36.46 24.74 3 0 1000.00 -999 ? >TYR~C 22 10.19 39.28 25.42 10.68 38.15 27.94 10.44 38.71 26.68 3 0 1000.00 -999 ? >ARG~C 23 10.29 44.23 18.53 10.80 47.05 19.68 10.55 45.64 19.11 2 0 1000.00 -999 ? >ASP~C 24 13.73 37.99 17.97 14.47 39.74 16.99 14.10 38.86 17.48 2 0 1000.00 -999 ? >ALA~C 25 11.33 34.97 20.26 11.67 34.89 21.77 11.50 34.93 21.01 2 0 1000.00 -999 ? >PHE~C 26 7.79 34.57 22.75 9.24 33.08 24.60 8.52 33.83 23.68 3 0 1000.00 -999 ? >GLY~C 27 6.52 37.92 17.82 6.45 38.00 18.63 6.48 37.96 18.22 1 0 1000.00 -999 ? >TRP.C 28 4.65 38.03 22.51 6.08 38.36 26.15 5.36 38.20 24.33 3 0 1000.00 -999 ? >ALA^C 29 4.19 43.73 19.48 2.83 44.13 18.90 3.51 43.93 19.19 2 0 1000.00 -999 ? >ILE^C 30 7.40 45.48 22.25 8.18 44.77 23.32 7.79 45.13 22.79 3 0 1000.00 -999 ? >ALA^C 31 5.87 49.86 21.65 4.54 50.42 21.23 5.21 50.14 21.44 2 0 1000.00 -999 ? >GLU^C 32 10.06 53.52 24.50 12.17 53.25 24.68 11.11 53.39 24.59 2 0 1000.00 -999 ? >ILE^C 33 4.50 54.45 26.04 3.40 54.57 25.05 3.95 54.51 25.55 3 0 1000.00 -999 ? >PRO~C 34 8.46 57.97 23.98 7.77 57.20 25.97 8.11 57.58 24.97 3 0 1000.00 -999 ? >ASP~C 35 4.87 60.87 27.83 3.06 60.11 27.01 3.96 60.49 27.42 2 0 1000.00 -999 ? >MET~C 36 4.80 56.76 30.44 0.94 55.57 29.14 2.87 56.17 29.79 2 0 1000.00 -999 ? >ASP~C 37 8.73 55.89 32.36 9.31 57.91 32.39 9.02 56.90 32.38 2 0 1000.00 -999 ? >TYR^C 38 5.05 51.14 30.17 2.52 50.92 29.03 3.78 51.03 29.60 3 0 1000.00 -999 ? >SER^C 39 7.04 49.65 26.80 9.38 49.67 26.23 8.21 49.66 26.51 2 0 1000.00 -999 ? >MET^C 40 3.54 48.33 26.05 -0.18 49.51 24.39 1.68 48.92 25.22 2 0 1000.00 -999 ? >VAL^C 41 3.47 44.59 25.19 4.95 43.19 25.94 4.21 43.89 25.56 3 0 1000.00 -999 ? >THR^C 42 0.70 42.99 23.12 -0.69 44.13 21.93 0.01 43.56 22.53 2 0 1000.00 -999 ? >THR.C 43 0.74 39.18 23.18 0.89 38.60 25.28 0.82 38.89 24.23 2 0 1000.00 -999 ? >GLY.C 44 -2.59 38.46 21.52 -2.52 39.29 21.68 -2.55 38.88 21.60 1 0 1000.00 -999 ? >PRO.C 45 -5.45 38.02 18.46 -4.91 39.66 19.89 -5.18 38.84 19.17 3 0 1000.00 -999 ? >VAL.C 46 -7.07 43.27 20.73 -5.31 44.46 21.19 -6.19 43.87 20.96 3 0 1000.00 -999 ? >GLY.C 47 -10.30 45.08 19.96 -9.56 45.47 20.14 -9.93 45.28 20.05 1 0 1000.00 -999 ? >GLU.C 48 -11.98 50.63 17.80 -13.81 51.22 16.91 -12.90 50.93 17.35 2 0 1000.00 -999 ? >SER.C 49 -10.30 49.81 22.60 -11.26 48.20 24.15 -10.78 49.00 23.38 2 0 1000.00 -999 ? >GLY.C 50 -6.91 47.99 22.86 -7.58 47.67 23.16 -7.25 47.83 23.01 1 0 1000.00 -999 ? >MET.C 51 -8.21 45.28 25.19 -7.93 47.17 27.83 -8.07 46.23 26.51 2 0 1000.00 -999 ? >PRO.C 52 -6.82 41.27 26.33 -8.08 42.22 24.77 -7.45 41.74 25.55 3 0 1000.00 -999 ? >ASP.C 53 -10.93 41.14 20.58 -9.63 39.95 19.33 -10.28 40.55 19.95 2 0 1000.00 -999 ? >GLU.C 54 -10.49 34.67 22.11 -9.43 33.57 20.68 -9.96 34.12 21.40 2 0 1000.00 -999 ? >PRO.C 55 -13.02 34.73 26.23 -10.94 35.46 25.83 -11.98 35.09 26.03 3 0 1000.00 -999 ? >GLY.C 56 -7.64 33.41 27.79 -7.46 34.15 27.68 -7.55 33.78 27.74 1 0 1000.00 -999 ? >TYR.C 57 -4.83 36.38 25.20 -6.40 37.61 23.25 -5.62 36.99 24.23 3 0 1000.00 -999 ? >ILE.C 58 -3.12 39.28 30.42 -2.96 38.84 31.74 -3.04 39.06 31.08 3 0 1000.00 -999 ? >ASN.C 59 -1.64 42.88 26.58 -2.54 41.94 24.92 -2.09 42.41 25.75 2 0 1000.00 -999 ? >GLY^C 60 1.57 43.60 29.61 1.57 43.96 28.90 1.57 43.78 29.25 1 0 1000.00 -999 ? >GLY^C 61 4.53 45.90 29.82 4.75 45.13 30.09 4.64 45.51 29.95 1 0 1000.00 -999 ? >MET^C 62 8.27 46.01 30.11 9.64 43.64 26.92 8.95 44.82 28.51 2 0 1000.00 -999 ? >MET^C 63 10.09 48.37 32.45 8.33 46.38 35.12 9.21 47.37 33.79 2 0 1000.00 -999 ? >GLN^C 64 15.78 50.58 33.94 17.06 49.85 32.40 16.42 50.22 33.17 2 0 1000.00 -999 ? >ARG.C 65 16.57 43.85 37.72 15.91 41.74 35.54 16.24 42.80 36.63 2 0 1000.00 -999 ? >GLY.C 66 13.88 48.74 39.90 13.32 48.06 39.78 13.60 48.40 39.84 1 0 1000.00 -999 ? >GLU.C 67 8.82 50.65 41.98 7.04 51.49 41.21 7.93 51.07 41.59 2 0 1000.00 -999 ? >VAL.C 68 9.94 45.49 39.63 8.40 45.26 38.01 9.17 45.37 38.82 3 0 1000.00 -999 ? >THR.C 69 13.12 43.44 40.26 13.71 43.34 42.37 13.42 43.39 41.32 2 0 1000.00 -999 ? >THR.C 70 11.56 40.30 38.74 11.85 39.06 40.48 11.71 39.68 39.61 2 0 1000.00 -999 ? >PRO.C 71 9.75 38.12 35.40 9.09 39.54 36.97 9.42 38.83 36.18 3 0 1000.00 -999 ? >VAL^C 72 5.16 40.69 38.26 5.15 42.41 39.66 5.15 41.55 38.96 3 0 1000.00 -999 ? >VAL^C 73 1.49 39.86 37.68 1.18 37.72 37.81 1.34 38.79 37.74 3 0 1000.00 -999 ? >THR^C 74 -1.08 42.58 38.36 -0.71 44.43 37.44 -0.89 43.50 37.90 2 0 1000.00 -999 ? >VAL^C 75 -4.43 42.17 40.15 -4.67 40.94 41.95 -4.55 41.56 41.05 3 0 1000.00 -999 ? >ASP^C 76 -8.45 44.06 38.28 -9.94 45.49 38.14 -9.19 44.78 38.21 2 0 1000.00 -999 ? >VAL.C 77 -8.97 46.12 42.33 -7.21 46.18 43.68 -8.09 46.15 43.01 3 0 1000.00 -999 ? >GLU.C 78 -13.94 49.67 43.44 -15.83 49.29 44.31 -14.88 49.48 43.88 2 0 1000.00 -999 ? >SER~C 79 -9.50 50.81 45.10 -9.58 52.12 47.16 -9.54 51.46 46.13 2 0 1000.00 -999 ? >ILE~C 80 -4.68 51.18 44.74 -3.54 51.14 43.98 -4.11 51.16 44.36 3 0 1000.00 -999 ? >GLU~C 81 -5.65 54.76 48.67 -3.68 54.57 49.47 -4.66 54.67 49.07 2 0 1000.00 -999 ? >SER~C 82 -8.61 49.86 50.25 -10.77 50.87 49.84 -9.69 50.36 50.05 2 0 1000.00 -999 ? >ALA~C 83 -6.74 46.89 48.79 -6.48 46.63 47.31 -6.61 46.76 48.05 2 0 1000.00 -999 ? >LEU~C 84 -2.57 49.09 50.02 -1.03 49.19 48.47 -1.80 49.14 49.24 3 0 1000.00 -999 ? >GLU~C 85 -6.49 49.50 55.45 -8.23 50.69 55.83 -7.36 50.10 55.64 2 0 1000.00 -999 ? >ARG~C 86 -9.25 42.74 51.46 -11.66 41.35 52.75 -10.46 42.05 52.10 2 0 1000.00 -999 ? >ILE~C 87 -2.62 43.71 50.90 -2.12 43.60 49.64 -2.37 43.65 50.27 3 0 1000.00 -999 ? >GLU~C 88 -0.31 46.74 54.36 0.90 48.34 54.93 0.29 47.54 54.65 2 0 1000.00 -999 ? >SER~C 89 -4.21 43.44 57.56 -5.86 45.23 57.61 -5.03 44.34 57.58 2 0 1000.00 -999 ? >LEU~C 90 -4.37 39.59 54.71 -6.49 39.26 54.29 -5.43 39.43 54.50 3 0 1000.00 -999 ? >GLY.C 91 0.04 39.97 56.49 -0.20 40.29 55.81 -0.08 40.13 56.15 1 0 1000.00 -999 ? >GLY.C 92 1.31 41.44 53.27 1.14 41.87 53.96 1.23 41.66 53.61 1 0 1000.00 -999 ? >LYS^C 93 3.19 44.73 52.90 6.00 47.70 55.72 4.59 46.21 54.31 2 0 1000.00 -999 ? >THR^C 94 3.04 47.76 50.62 1.81 49.53 50.58 2.42 48.64 50.60 2 0 1000.00 -999 ? >VAL^C 95 6.07 48.18 48.35 7.20 46.72 47.16 6.64 47.45 47.75 3 0 1000.00 -999 ? >THR^C 96 4.88 51.23 46.38 5.92 51.79 44.55 5.40 51.51 45.46 2 0 1000.00 -999 ? >GLY^C 97 1.59 53.05 47.01 1.99 53.10 46.31 1.79 53.07 46.66 1 0 1000.00 -999 ? >ARG^C 98 -4.76 55.22 44.60 -6.38 57.22 42.93 -5.57 56.22 43.76 2 0 1000.00 -999 ? >THR^C 99 0.68 55.91 41.54 2.81 55.40 41.37 1.74 55.66 41.46 2 0 1000.00 -999 ? >PRO^C 100 -0.37 59.47 39.19 -0.69 57.27 39.08 -0.53 58.37 39.14 3 0 1000.00 -999 ? >VAL^C 101 -0.23 55.49 35.19 0.33 53.40 35.08 0.05 54.45 35.14 3 0 1000.00 -999 ? >GLY.C 102 -0.79 58.08 32.49 -1.18 57.83 33.22 -0.98 57.96 32.85 1 0 1000.00 -999 ? >ASN.C 103 -5.05 59.88 31.36 -4.88 59.30 29.32 -4.96 59.59 30.34 2 0 1000.00 -999 ? >MET.C 104 -5.40 55.13 32.25 -2.51 53.43 29.57 -3.95 54.28 30.91 2 0 1000.00 -999 ? >GLY^C 105 -5.44 54.28 35.95 -4.74 54.70 35.79 -5.09 54.49 35.87 1 0 1000.00 -999 ? >PHE^C 106 -4.77 55.54 39.99 -6.08 57.88 39.36 -5.42 56.71 39.67 3 0 1000.00 -999 ? >ALA^C 107 -0.77 51.11 40.03 0.34 50.91 39.02 -0.21 51.01 39.52 2 0 1000.00 -999 ? >ALA^C 108 0.81 49.88 43.21 -0.07 50.06 44.45 0.37 49.97 43.83 2 0 1000.00 -999 ? >TYR^C 109 4.56 47.38 42.40 4.54 47.95 39.67 4.55 47.66 41.03 3 0 1000.00 -999 ? >PHE^C 110 0.64 43.60 47.29 -0.88 41.63 46.03 -0.12 42.61 46.66 3 0 1000.00 -999 ? >THR^C 111 4.46 41.71 48.81 6.31 42.22 49.77 5.38 41.97 49.29 2 0 1000.00 -999 ? >ASP.C 112 1.71 37.79 48.47 3.23 36.40 47.90 2.47 37.10 48.18 2 0 1000.00 -999 ? >SER.C 113 2.37 36.56 52.62 0.93 34.70 52.10 1.65 35.63 52.36 2 0 1000.00 -999 ? >GLU.C 114 3.63 32.95 50.16 3.56 32.04 52.06 3.60 32.49 51.11 2 0 1000.00 -999 ? >GLY.C 115 7.30 37.85 50.16 6.85 37.51 49.64 7.08 37.68 49.90 1 0 1000.00 -999 ? >ASN.C 116 5.63 36.82 45.73 6.09 34.78 46.11 5.86 35.80 45.92 2 0 1000.00 -999 ? >VAL^C 117 6.05 41.19 44.73 7.45 42.83 44.40 6.75 42.01 44.57 3 0 1000.00 -999 ? >VAL^C 118 2.63 41.50 43.10 1.21 39.90 43.59 1.92 40.70 43.35 3 0 1000.00 -999 ? >GLY^C 119 1.02 44.44 41.33 0.55 43.85 41.62 0.79 44.15 41.47 1 0 1000.00 -999 ? >LEU^C 120 -2.70 46.85 43.00 -3.23 45.86 44.89 -2.97 46.35 43.95 3 0 1000.00 -999 ? >TRP^C 121 -6.02 48.26 36.01 -3.54 51.14 35.00 -4.78 49.70 35.50 3 0 1000.00 -999 ? >GLU^C 122 -8.35 52.16 41.03 -8.19 53.54 42.59 -8.27 52.85 41.81 2 0 1000.00 -999 ? >THR^C 123 -8.88 51.75 36.40 -9.91 50.64 34.86 -9.39 51.20 35.63 2 0 1000.00 -999 ? >ALA.C 124 -9.41 55.51 36.02 -8.55 56.41 35.19 -8.98 55.96 35.60 2 0 1000.00 -999 ? >ASN.D -5 -20.93 44.60 79.61 -22.85 43.87 80.19 -21.89 44.24 79.90 2 0 1000.00 -999 ? >LEU.D -4 -20.47 39.36 81.13 -20.22 39.01 83.25 -20.34 39.18 82.19 3 0 1000.00 -999 ? >TYR.D -3 -17.06 38.15 75.16 -16.63 37.20 72.59 -16.84 37.68 73.87 3 0 1000.00 -999 ? >PHE.D -2 -18.00 33.80 76.75 -15.66 33.27 75.33 -16.83 33.54 76.04 3 0 1000.00 -999 ? >GLN.D -1 -23.91 38.79 77.98 -23.61 40.44 79.26 -23.76 39.61 78.62 2 0 1000.00 -999 ? >GLY.D 0 -26.79 36.81 75.64 -26.21 36.24 75.47 -26.50 36.52 75.55 1 0 1000.00 -999 ? >MET.D 1 -26.39 36.41 71.93 -29.53 36.93 70.91 -27.96 36.67 71.42 2 0 1000.00 -999 ? >THR.D 2 -22.60 35.98 71.84 -20.89 36.71 72.92 -21.74 36.35 72.38 2 0 1000.00 -999 ? >GLY.D 3 -21.53 33.30 69.39 -22.23 33.70 69.22 -21.88 33.50 69.30 1 0 1000.00 -999 ? >ARG.D 4 -28.16 33.60 69.34 -30.49 33.33 71.31 -29.32 33.47 70.32 2 0 1000.00 -999 ? >ILE^D 5 -23.97 31.62 62.83 -22.87 32.13 61.89 -23.42 31.88 62.36 3 0 1000.00 -999 ? >VAL^D 6 -27.10 35.39 62.75 -26.68 36.72 64.46 -26.89 36.05 63.60 3 0 1000.00 -999 ? >HIS^D 7 -26.34 39.04 58.39 -26.57 40.46 56.88 -26.46 39.75 57.64 3 0 1000.00 -999 ? >PHE^D 8 -26.17 34.61 54.47 -28.50 34.78 52.93 -27.33 34.70 53.70 3 0 1000.00 -999 ? >GLU^D 9 -22.76 39.89 54.62 -21.41 41.43 55.03 -22.09 40.66 54.83 2 0 1000.00 -999 ? >ILE^D 10 -23.85 35.94 48.82 -24.38 34.70 48.33 -24.12 35.32 48.57 3 0 1000.00 -999 ? >PRO^D 11 -18.74 37.38 47.77 -20.74 38.37 47.75 -19.74 37.87 47.76 3 0 1000.00 -999 ? >PHE^D 12 -23.07 41.21 43.69 -24.13 43.64 44.51 -23.60 42.43 44.10 3 0 1000.00 -999 ? >ASP.D 13 -18.48 39.90 39.67 -17.12 38.79 40.80 -17.80 39.35 40.24 2 0 1000.00 -999 ? >ASP~D 14 -22.65 41.05 37.34 -24.14 41.83 36.06 -23.40 41.44 36.70 2 0 1000.00 -999 ? >GLY~D 15 -25.33 42.72 41.07 -25.42 42.51 40.29 -25.37 42.62 40.68 1 0 1000.00 -999 ? >ASP~D 16 -28.43 43.27 37.34 -28.97 45.29 37.70 -28.70 44.28 37.52 2 0 1000.00 -999 ? >ARG~D 17 -24.04 36.99 35.83 -21.06 37.52 36.26 -22.55 37.26 36.05 2 0 1000.00 -999 ? >ALA~D 18 -26.50 37.78 41.07 -25.50 38.31 42.08 -26.00 38.05 41.58 2 0 1000.00 -999 ? >ARG~D 19 -30.14 42.76 43.66 -28.02 44.66 42.52 -29.08 43.71 43.09 2 0 1000.00 -999 ? >ALA~D 20 -31.58 37.53 39.28 -31.33 37.88 37.83 -31.45 37.71 38.56 2 0 1000.00 -999 ? >PHE~D 21 -27.92 32.58 40.45 -27.41 29.98 41.26 -27.66 31.28 40.85 3 0 1000.00 -999 ? >TYR~D 22 -28.97 34.03 45.02 -26.49 32.94 45.58 -27.73 33.49 45.30 3 0 1000.00 -999 ? >ARG~D 23 -35.00 39.12 42.30 -33.86 41.99 42.56 -34.43 40.55 42.43 2 0 1000.00 -999 ? >ASP~D 24 -34.15 32.83 38.67 -34.55 34.55 37.50 -34.35 33.69 38.08 2 0 1000.00 -999 ? >ALA~D 25 -33.19 29.90 41.88 -31.72 29.78 42.31 -32.46 29.84 42.10 2 0 1000.00 -999 ? >PHE~D 26 -32.73 29.31 46.19 -30.48 27.70 45.72 -31.61 28.51 45.96 3 0 1000.00 -999 ? >GLY~D 27 -37.38 33.05 45.22 -36.69 33.04 45.66 -37.04 33.04 45.44 1 0 1000.00 -999 ? >TRP.D 28 -33.89 32.79 48.97 -29.95 32.97 49.11 -31.92 32.88 49.04 3 0 1000.00 -999 ? >ALA^D 29 -36.83 38.54 48.42 -37.86 38.89 49.47 -37.34 38.72 48.94 2 0 1000.00 -999 ? >ILE^D 30 -32.87 40.33 46.66 -31.64 39.62 46.30 -32.25 39.98 46.48 3 0 1000.00 -999 ? >ALA^D 31 -34.09 44.64 48.24 -35.01 45.04 49.37 -34.55 44.84 48.80 2 0 1000.00 -999 ? >GLU^D 32 -30.67 46.59 44.90 -30.45 47.34 42.95 -30.56 46.97 43.92 2 0 1000.00 -999 ? >ILE^D 33 -30.63 49.04 51.63 -31.92 49.06 52.27 -31.28 49.05 51.95 3 0 1000.00 -999 ? >PRO~D 34 -31.01 53.41 48.14 -29.38 51.99 48.79 -30.20 52.70 48.47 3 0 1000.00 -999 ? >ASP~D 35 -29.55 54.12 52.93 -29.46 55.66 54.35 -29.50 54.89 53.64 2 0 1000.00 -999 ? >MET~D 36 -26.37 51.13 53.06 -28.93 49.90 56.27 -27.65 50.51 54.67 2 0 1000.00 -999 ? >ASP~D 37 -23.21 50.51 49.92 -22.22 50.68 48.06 -22.71 50.60 48.99 2 0 1000.00 -999 ? >TYR^D 38 -26.67 45.71 52.32 -28.63 45.39 54.25 -27.65 45.55 53.28 3 0 1000.00 -999 ? >SER^D 39 -28.94 44.26 48.96 -28.53 44.32 46.57 -28.74 44.29 47.77 2 0 1000.00 -999 ? >MET^D 40 -30.97 42.86 51.85 -33.77 44.11 54.72 -32.37 43.48 53.29 2 0 1000.00 -999 ? >VAL^D 41 -31.81 39.18 51.44 -30.54 37.79 50.36 -31.18 38.48 50.90 3 0 1000.00 -999 ? >THR^D 42 -34.79 37.58 53.15 -36.39 38.72 54.04 -35.59 38.15 53.60 2 0 1000.00 -999 ? >THR.D 43 -34.69 33.72 53.00 -32.64 33.09 53.53 -33.67 33.41 53.26 2 0 1000.00 -999 ? >GLY.D 44 -37.25 33.03 55.68 -37.05 33.85 55.68 -37.15 33.44 55.68 1 0 1000.00 -999 ? >PRO.D 45 -40.75 32.50 58.11 -39.59 34.25 57.30 -40.17 33.37 57.70 3 0 1000.00 -999 ? >VAL.D 46 -39.65 37.89 59.64 -38.50 39.04 58.13 -39.08 38.46 58.88 3 0 1000.00 -999 ? >GLY.D 47 -41.65 39.72 62.30 -41.15 40.10 61.74 -41.40 39.91 62.02 1 0 1000.00 -999 ? >GLU.D 48 -44.15 45.31 63.00 -45.95 45.01 61.95 -45.05 45.16 62.47 2 0 1000.00 -999 ? >SER.D 49 -38.98 44.33 63.62 -37.66 42.88 65.09 -38.32 43.61 64.35 2 0 1000.00 -999 ? >GLY.D 50 -37.59 42.60 60.49 -37.55 42.23 61.20 -37.57 42.42 60.85 1 0 1000.00 -999 ? >MET.D 51 -35.97 39.73 62.38 -33.11 41.21 63.66 -34.54 40.47 63.02 2 0 1000.00 -999 ? >PRO.D 52 -34.42 35.77 61.31 -36.36 36.67 61.91 -35.39 36.22 61.61 3 0 1000.00 -999 ? >ASP.D 53 -41.21 35.81 63.23 -42.24 35.02 61.56 -41.73 35.42 62.39 2 0 1000.00 -999 ? >GLU.D 54 -41.60 31.01 61.99 -42.48 30.16 60.27 -42.04 30.58 61.13 2 0 1000.00 -999 ? >PRO.D 55 -37.87 28.43 66.15 -37.09 29.48 64.33 -37.48 28.96 65.24 3 0 1000.00 -999 ? >GLY.D 56 -33.83 27.49 62.26 -33.88 28.24 62.05 -33.85 27.86 62.15 1 0 1000.00 -999 ? >TYR.D 57 -34.90 30.76 58.82 -37.07 32.23 59.73 -35.98 31.50 59.28 3 0 1000.00 -999 ? >ILE.D 58 -29.53 33.42 59.29 -28.24 32.96 59.69 -28.88 33.19 59.49 3 0 1000.00 -999 ? >ASN.D 59 -32.47 37.18 56.62 -34.40 36.28 56.67 -33.44 36.73 56.64 2 0 1000.00 -999 ? >GLY^D 60 -28.49 37.97 54.90 -29.14 38.35 54.62 -28.81 38.17 54.76 1 0 1000.00 -999 ? >GLY^D 61 -27.15 40.39 52.38 -26.82 39.65 52.23 -26.98 40.02 52.30 1 0 1000.00 -999 ? >MET^D 62 -25.41 40.64 49.03 -27.95 38.32 46.59 -26.68 39.48 47.81 2 0 1000.00 -999 ? >MET^D 63 -22.70 43.14 48.22 -21.67 44.32 52.10 -22.18 43.73 50.16 2 0 1000.00 -999 ? >GLN^D 64 -19.25 45.80 43.89 -20.11 45.06 42.11 -19.68 45.43 43.00 2 0 1000.00 -999 ? >ARG.D 65 -15.17 39.04 44.47 -17.23 36.73 44.10 -16.20 37.88 44.28 2 0 1000.00 -999 ? >GLY.D 66 -14.32 43.80 47.85 -14.69 43.24 48.36 -14.50 43.52 48.11 1 0 1000.00 -999 ? >GLU.D 67 -15.29 44.76 53.99 -16.26 46.30 55.06 -15.78 45.53 54.52 2 0 1000.00 -999 ? >VAL.D 68 -16.39 40.65 51.32 -18.34 40.11 52.06 -17.37 40.38 51.69 3 0 1000.00 -999 ? >THR.D 69 -14.46 38.54 48.81 -12.42 38.84 49.39 -13.44 38.69 49.10 2 0 1000.00 -999 ? >THR.D 70 -16.13 35.15 49.38 -14.35 33.99 49.88 -15.24 34.57 49.63 2 0 1000.00 -999 ? >PRO.D 71 -19.85 32.75 49.55 -18.74 34.19 50.82 -19.30 33.47 50.19 3 0 1000.00 -999 ? >VAL^D 72 -19.14 35.26 54.96 -17.88 36.99 55.52 -18.51 36.13 55.24 3 0 1000.00 -999 ? >VAL^D 73 -21.11 34.21 58.01 -20.98 32.04 58.21 -21.04 33.12 58.11 3 0 1000.00 -999 ? >THR^D 74 -21.56 36.70 60.82 -22.45 38.60 60.30 -22.00 37.65 60.56 2 0 1000.00 -999 ? >VAL^D 75 -21.19 35.99 64.54 -19.66 34.70 65.46 -20.42 35.34 65.00 3 0 1000.00 -999 ? >ASP^D 76 -24.69 37.69 67.37 -25.67 39.17 68.48 -25.18 38.43 67.92 2 0 1000.00 -999 ? >VAL.D 77 -21.12 39.33 69.83 -19.24 39.51 68.78 -20.18 39.42 69.31 3 0 1000.00 -999 ? >GLU.D 78 -23.30 39.88 74.43 -25.23 40.79 74.32 -24.26 40.33 74.38 2 0 1000.00 -999 ? >SER~D 79 -18.84 43.40 72.18 -16.92 44.37 73.25 -17.88 43.89 72.72 2 0 1000.00 -999 ? >ILE~D 80 -16.94 44.41 67.76 -17.15 44.64 66.44 -17.04 44.53 67.10 3 0 1000.00 -999 ? >GLU~D 81 -13.72 47.24 71.09 -14.42 48.96 72.10 -14.07 48.10 71.59 2 0 1000.00 -999 ? >SER~D 82 -13.96 41.67 73.44 -15.12 42.22 75.54 -14.54 41.94 74.49 2 0 1000.00 -999 ? >ALA~D 83 -14.29 39.34 70.48 -15.37 39.41 69.41 -14.83 39.38 69.94 2 0 1000.00 -999 ? >LEU~D 84 -11.32 42.26 68.00 -12.02 42.68 65.95 -11.67 42.47 66.98 3 0 1000.00 -999 ? >GLU~D 85 -9.47 42.38 73.65 -10.17 42.72 75.61 -9.82 42.55 74.63 2 0 1000.00 -999 ? >ARG~D 86 -12.77 36.00 74.04 -13.30 37.61 76.64 -13.03 36.81 75.34 2 0 1000.00 -999 ? >ILE~D 87 -10.39 37.25 67.03 -11.34 37.47 66.13 -10.86 37.36 66.58 3 0 1000.00 -999 ? >GLU~D 88 -6.55 40.60 67.04 -5.28 41.14 65.46 -5.92 40.87 66.25 2 0 1000.00 -999 ? >SER.D 89 -4.91 35.88 70.66 -5.61 37.06 72.68 -5.26 36.47 71.67 2 0 1000.00 -999 ? >LEU.D 90 -7.21 32.31 68.88 -8.23 31.48 70.60 -7.72 31.89 69.74 3 0 1000.00 -999 ? >GLY.D 91 -4.14 34.22 66.38 -4.64 33.62 65.82 -4.39 33.92 66.10 1 0 1000.00 -999 ? >GLY.D 92 -6.83 35.52 64.15 -6.19 35.92 64.56 -6.51 35.72 64.36 1 0 1000.00 -999 ? >LYS^D 93 -6.34 38.85 62.37 -1.21 37.71 60.02 -3.78 38.28 61.20 2 0 1000.00 -999 ? >THR^D 94 -8.56 41.94 62.33 -9.15 43.44 63.75 -8.85 42.69 63.04 2 0 1000.00 -999 ? >VAL^D 95 -9.39 42.71 58.71 -9.84 41.36 57.06 -9.61 42.03 57.88 3 0 1000.00 -999 ? >THR^D 96 -11.71 45.63 59.49 -13.16 45.37 57.97 -12.43 45.50 58.73 2 0 1000.00 -999 ? >GLY^D 97 -12.39 47.05 62.92 -12.91 47.15 62.30 -12.65 47.10 62.61 1 0 1000.00 -999 ? >ARG^D 98 -17.15 48.49 68.15 -19.20 50.58 69.09 -18.17 49.53 68.62 2 0 1000.00 -999 ? >THR^D 99 -17.68 50.08 62.05 -16.91 50.00 60.07 -17.29 50.04 61.06 2 0 1000.00 -999 ? >PRO^D 100 -20.20 53.67 62.64 -20.46 51.45 62.43 -20.33 52.56 62.54 3 0 1000.00 -999 ? >VAL^D 101 -23.80 49.99 60.18 -23.72 48.02 59.31 -23.76 49.00 59.74 3 0 1000.00 -999 ? >GLY.D 102 -26.56 52.54 59.94 -26.04 52.29 60.54 -26.30 52.42 60.24 1 0 1000.00 -999 ? >ASN.D 103 -29.28 54.07 63.55 -31.12 53.55 62.57 -30.20 53.81 63.06 2 0 1000.00 -999 ? >MET.D 104 -28.67 49.34 63.80 -29.76 50.11 60.26 -29.21 49.73 62.03 2 0 1000.00 -999 ? >GLY^D 105 -25.30 48.26 65.19 -25.16 48.71 64.50 -25.23 48.49 64.85 1 0 1000.00 -999 ? >PHE^D 106 -21.33 49.27 66.27 -22.38 51.53 67.46 -21.85 50.40 66.87 3 0 1000.00 -999 ? >ALA^D 107 -19.74 45.28 62.15 -20.22 45.23 60.73 -19.98 45.26 61.44 2 0 1000.00 -999 ? >ALA^D 108 -16.22 43.99 61.85 -15.48 44.00 63.19 -15.85 44.00 62.52 2 0 1000.00 -999 ? >TYR^D 109 -15.64 41.83 57.78 -18.11 42.43 56.68 -16.88 42.13 57.23 3 0 1000.00 -999 ? >PHE^D 110 -12.63 37.70 62.89 -14.37 35.66 63.57 -13.50 36.68 63.23 3 0 1000.00 -999 ? >THR^D 111 -9.68 35.96 59.91 -7.95 36.55 58.81 -8.81 36.26 59.36 2 0 1000.00 -999 ? >ASP.D 112 -11.14 31.85 61.94 -11.07 30.55 60.30 -11.11 31.20 61.12 2 0 1000.00 -999 ? >SER.D 113 -7.07 30.53 62.93 -8.09 28.62 63.97 -7.58 29.58 63.45 2 0 1000.00 -999 ? >GLU.D 114 -8.96 27.07 60.63 -7.25 26.07 61.34 -8.10 26.57 60.98 2 0 1000.00 -999 ? >GLY.D 115 -7.39 32.02 57.47 -8.07 31.75 57.74 -7.73 31.88 57.61 1 0 1000.00 -999 ? >ASN.D 116 -12.23 31.23 57.29 -11.78 29.18 56.86 -12.00 30.21 57.07 2 0 1000.00 -999 ? >VAL^D 117 -12.77 35.65 56.75 -12.50 37.41 55.55 -12.63 36.53 56.15 3 0 1000.00 -999 ? >VAL^D 118 -15.68 35.80 59.23 -15.83 34.06 60.58 -15.75 34.93 59.91 3 0 1000.00 -999 ? >GLY^D 119 -17.93 38.65 60.27 -17.87 38.02 60.76 -17.90 38.33 60.51 1 0 1000.00 -999 ? >LEU^D 120 -17.88 40.72 64.55 -16.30 39.63 65.60 -17.09 40.17 65.08 3 0 1000.00 -999 ? >TRP^D 121 -25.55 42.20 64.99 -25.58 45.32 62.65 -25.57 43.76 63.82 3 0 1000.00 -999 ? >GLU^D 122 -21.89 45.32 69.64 -20.35 46.57 70.27 -21.12 45.95 69.96 2 0 1000.00 -999 ? >THR^D 123 -26.35 45.27 68.11 -28.23 44.19 68.11 -27.29 44.73 68.11 2 0 1000.00 -999 ? >ALA.D 124 -26.79 48.95 69.02 -27.34 50.03 68.09 -27.07 49.49 68.56 2 0 1000.00 -999 ? >ARG.D 125 -26.01 47.00 74.76 -23.76 44.94 75.19 -24.88 45.97 74.97 2 0 1000.00 -999 ?