REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-JAN-08 3BVC COMPND UNCHARACTERIZED PROTEIN ISM_01780; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ROSEOVARIUS NUBINHIBENS; SOURCE 3 ORGANISM_TAXID: 89187; SOURCE 4 STRAIN: ISM; SOURCE 5 GENE: ISM_01780; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)CODON+RIL; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: BC-PSGX3(BC) AUTHOR Y.PATSKOVSKY,R.TORO,A.J.MEYER,M.RUTTER,M.IIZUKA,M.MALETIC,D.SMITH, AUTHOR 2 S.WASSERMAN,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH AUTHOR 3 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET CA A 301 1 HET CA A 302 1 HET NI A 304 1 HET CA A 306 1 HET CA B 303 1 HET NI B 305 1 SITE 1 AC1 2 ASP A 27 GLU A 29 SITE 1 AC2 4 GLU A 112 GLU A 195 GLU B 112 GLU B 195 SITE 1 AC3 3 HIS A 119 HIS A 121 HIS A 187 SITE 1 AC4 1 GLU A 32 SITE 1 AC5 1 ASP B 94 SITE 1 AC6 3 HIS B 119 HIS B 121 HIS B 187 >SER.A 6 5.52 22.78 -47.57 7.47 22.08 -46.30 6.50 22.43 -46.94 2 0 33.59 -999 ? NI NI A 304 >LEU.A 7 1.35 20.65 -48.34 1.24 21.10 -50.47 1.29 20.87 -49.41 3 0 29.66 -999 ? NI NI B 305 >SER.A 8 0.31 19.42 -44.19 0.84 20.85 -42.30 0.58 20.14 -43.25 2 0 27.03 -999 ? NI NI A 304 >LEU.A 9 -0.54 15.49 -46.42 -0.58 16.32 -48.43 -0.56 15.91 -47.43 3 0 25.07 -999 ? NI NI B 305 >PHE.A 10 -2.17 11.74 -45.58 -1.59 11.40 -48.29 -1.88 11.57 -46.94 3 0 21.06 -999 ? NI NI B 305 >VAL.A 11 -4.26 14.94 -40.59 -4.42 17.10 -40.24 -4.34 16.02 -40.42 3 0 20.82 -999 ? NI NI A 304 >THR.A 12 -5.53 13.22 -37.46 -4.86 11.53 -36.29 -5.20 12.37 -36.87 2 0 15.04 -999 ? NI NI A 304 >ARG.A 13 -9.30 18.06 -38.38 -9.20 20.86 -37.11 -9.25 19.46 -37.74 2 0 21.03 -999 ? NI NI A 304 >LEU.A 14 -7.54 15.62 -31.27 -7.38 15.03 -29.19 -7.46 15.32 -30.23 3 0 13.09 -999 ? NI NI A 304 >TYR^A 15 -14.58 17.46 -30.91 -16.88 18.89 -30.21 -15.73 18.17 -30.56 3 0 16.16 -999 ? NI NI A 304 >HIS^A 16 -10.06 19.38 -25.76 -9.54 19.61 -23.74 -9.80 19.49 -24.75 3 0 15.61 -999 ? NI NI A 304 >ALA^A 17 -14.68 21.22 -26.29 -15.64 21.37 -27.47 -15.16 21.30 -26.88 2 0 18.31 -999 ? NI NI A 304 >PRO^A 18 -15.66 24.03 -23.09 -16.26 21.95 -23.68 -15.96 22.99 -23.38 3 0 17.68 -999 ? CA CA A 301 >LEU.A 19 -19.95 18.49 -21.95 -20.99 16.60 -21.94 -20.47 17.54 -21.94 3 0 15.07 -999 ? CA CA A 301 >SER~A 20 -21.98 22.65 -22.42 -20.53 24.32 -21.40 -21.26 23.48 -21.91 2 0 13.98 -999 ? CA CA A 301 >ASP~A 21 -20.19 23.48 -26.91 -18.56 24.69 -26.31 -19.37 24.08 -26.61 2 0 19.27 -999 ? CA CA A 301 >HIS~A 22 -22.98 20.93 -29.25 -22.09 21.84 -30.91 -22.54 21.39 -30.08 3 0 21.70 -999 ? NI NI A 304 >GLY.A 23 -27.33 19.65 -25.69 -27.09 20.39 -25.46 -27.21 20.02 -25.58 1 0 17.48 -999 ? CA CA A 301 >PRO.A 24 -29.75 17.97 -22.48 -28.81 19.94 -22.97 -29.28 18.95 -22.73 3 0 15.07 -999 ? CA CA A 301 >ALA.A 25 -27.53 21.43 -19.09 -28.16 22.48 -18.18 -27.84 21.95 -18.64 2 0 10.05 -999 ? CA CA A 301 >ILE.A 26 -24.68 17.72 -18.33 -24.49 16.76 -19.13 -24.58 17.24 -18.73 3 0 11.39 -999 ? CA CA A 301 >ASP~A 27 -25.76 19.66 -12.70 -25.06 20.72 -11.00 -25.41 20.19 -11.85 2 0 -2.92 -999 ? CA CA A 301s >ALA~A 28 -21.16 18.40 -13.00 -19.95 19.32 -13.09 -20.56 18.86 -13.05 2 0 7.72 -999 ? CA CA A 301 >GLU~A 29 -21.95 18.47 -6.84 -23.04 19.65 -5.43 -22.50 19.06 -6.13 2 0 -4.66 -999 ? CA CA A 301s >GLU~A 30 -27.55 15.68 -10.70 -29.15 16.50 -11.85 -28.35 16.09 -11.28 2 0 7.55 -999 ? CA CA A 301 >MET~A 31 -23.06 13.65 -12.67 -22.94 11.92 -15.53 -23.00 12.79 -14.10 2 0 12.68 -999 ? CA CA A 301 >GLU~A 32 -18.33 13.18 -8.58 -17.06 14.63 -7.73 -17.70 13.90 -8.16 2 0 -3.00 -999 ? CA CA A 306s >SER~A 33 -22.84 11.49 -7.53 -24.70 13.07 -7.47 -23.77 12.28 -7.50 2 0 9.20 -999 ? CA CA A 301 >SER~A 34 -24.69 9.63 -10.31 -25.97 11.32 -11.50 -25.33 10.48 -10.90 2 0 11.27 -999 ? CA CA A 301 >CYH~A 35 -21.62 7.57 -11.19 -20.62 8.88 -13.43 -21.12 8.23 -12.31 2 0 11.73 -999 ? CA CA A 306 >TYR~A 36 -19.14 8.29 -6.46 -16.48 9.15 -6.41 -17.81 8.72 -6.43 3 0 7.82 -999 ? CA CA A 306 >ALA~A 37 -24.50 5.69 -7.00 -25.72 6.59 -7.11 -25.11 6.14 -7.05 2 0 14.26 -999 ? CA CA A 306 >ILE~A 38 -24.24 3.90 -11.54 -24.65 4.14 -12.83 -24.44 4.02 -12.18 3 0 16.45 -999 ? CA CA A 306 >ALA~A 39 -20.98 1.90 -9.17 -19.68 2.67 -9.17 -20.33 2.29 -9.17 2 0 14.49 -999 ? CA CA A 306 >GLU~A 40 -20.35 2.54 -4.22 -20.15 4.43 -3.28 -20.25 3.48 -3.75 2 0 12.94 -999 ? CA CA A 306 >ASP.A 41 -26.48 0.30 -6.99 -28.31 -0.66 -6.48 -27.40 -0.18 -6.74 2 0 21.30 -999 ? CA CA A 306 >ASP~A 42 -23.16 -1.83 -10.79 -22.81 -3.20 -12.38 -22.99 -2.51 -11.59 2 0 18.65 -999 ? NI NI A 304 >GLU~A 43 -24.31 -5.26 -5.52 -23.36 -4.37 -3.82 -23.83 -4.82 -4.67 2 0 22.12 -999 ? CA CA A 306 >ALA~A 44 -21.97 -7.39 -10.64 -23.06 -7.73 -11.64 -22.52 -7.56 -11.14 2 0 19.89 -999 ? CA CA B 303 >GLY~A 45 -19.73 -4.57 -11.91 -19.66 -4.96 -11.18 -19.70 -4.76 -11.54 1 0 17.79 -999 ? NI NI A 304 >GLN~A 46 -18.86 -2.85 -7.06 -20.18 -2.72 -5.38 -19.52 -2.79 -6.22 2 0 19.44 -999 ? CA CA A 306 >GLY~A 47 -17.64 -8.30 -8.91 -17.42 -7.78 -9.49 -17.53 -8.04 -9.20 1 0 21.14 -999 ? NI NI A 304 >TRP~A 48 -17.05 -9.57 -15.60 -14.41 -7.37 -17.52 -15.73 -8.47 -16.56 3 0 15.64 -999 ? NI NI A 304 >CYH~A 49 -13.59 -5.88 -11.58 -14.45 -3.37 -12.41 -14.02 -4.62 -11.99 2 0 14.80 -999 ? NI NI A 304 >GLU~A 50 -12.94 -8.82 -6.13 -14.30 -9.14 -4.53 -13.62 -8.98 -5.33 2 0 22.49 -999 ? CA CA A 302 >GLU~A 51 -14.85 -12.69 -10.25 -16.74 -13.26 -11.02 -15.79 -12.98 -10.63 2 0 19.07 -999 ? CA CA B 303 >ASN~A 52 -11.27 -8.81 -14.53 -11.19 -9.68 -16.47 -11.23 -9.24 -15.50 2 0 15.92 -999 ? NI NI A 304 >GLY~A 53 -8.34 -7.80 -11.09 -8.80 -7.49 -11.73 -8.57 -7.65 -11.41 1 0 18.18 -999 ? NI NI A 304 >TYR.A 54 -10.69 -3.33 -14.71 -11.00 -1.05 -16.30 -10.85 -2.19 -15.50 3 0 11.09 -999 ? NI NI A 304 >PRO.A 55 -6.48 -1.40 -13.85 -7.88 -1.95 -12.18 -7.18 -1.68 -13.01 3 0 13.52 -999 ? NI NI A 304 >GLY.A 56 -10.81 0.60 -10.59 -10.93 -0.17 -10.81 -10.87 0.21 -10.70 1 0 14.57 -999 ? NI NI A 304 >TYR^A 57 -16.92 0.76 -11.33 -19.53 0.25 -12.18 -18.23 0.51 -11.76 3 0 15.36 -999 ? NI NI A 304 >THR^A 58 -16.09 0.01 -15.13 -15.43 -0.83 -17.03 -15.76 -0.41 -16.08 2 0 10.17 -999 ? NI NI A 304 >SER.A 59 -19.72 -0.62 -16.18 -20.55 1.52 -17.00 -20.13 0.45 -16.59 2 0 12.68 -999 ? NI NI A 304 >TYR.A 60 -16.58 -2.04 -21.35 -15.82 -2.45 -24.01 -16.20 -2.24 -22.68 3 0 8.44 -999 ? NI NI A 304 >ALA.A 61 -19.24 -5.59 -18.94 -18.07 -6.50 -18.56 -18.65 -6.05 -18.75 2 0 14.13 -999 ? NI NI A 304 >SER.A 62 -22.13 -5.24 -16.48 -21.05 -3.71 -14.94 -21.59 -4.48 -15.71 2 0 16.10 -999 ? NI NI A 304 >LEU.A 63 -24.54 -1.32 -16.93 -25.54 -1.10 -15.01 -25.04 -1.21 -15.97 3 0 17.49 -999 ? NI NI A 304 >THR.A 64 -25.62 -1.76 -21.36 -26.72 -3.59 -21.63 -26.17 -2.68 -21.50 2 0 16.06 -999 ? CA CA B 303 >ASP~A 65 -29.28 0.86 -22.94 -30.35 -0.84 -22.27 -29.81 0.01 -22.61 2 0 19.57 -999 ? CA CA B 303 >LEU~A 66 -26.01 4.10 -18.97 -24.63 3.07 -17.64 -25.32 3.59 -18.30 3 0 15.88 -999 ? NI NI A 304 >PRO~A 67 -28.40 5.79 -22.92 -28.95 5.93 -20.76 -28.67 5.86 -21.84 3 0 18.20 -999 ? NI NI A 304 >TRP~A 68 -34.66 2.79 -23.28 -36.73 0.83 -20.56 -35.70 1.81 -21.92 3 0 24.70 -999 ? CA CA B 303 >ARG~A 69 -30.00 0.47 -17.16 -30.02 -0.97 -14.43 -30.01 -0.25 -15.80 2 0 22.34 -999 ? NI NI A 304 >PHE~A 70 -29.55 5.68 -14.32 -29.26 3.28 -12.93 -29.41 4.48 -13.62 3 0 18.84 -999 ? CA CA A 301 >PRO~A 71 -33.90 10.11 -15.07 -32.22 9.89 -16.53 -33.06 10.00 -15.80 3 0 16.10 -999 ? CA CA A 301 >ILE~A 72 -28.26 12.70 -15.27 -27.02 12.92 -14.51 -27.64 12.81 -14.89 3 0 11.54 -999 ? CA CA A 301 >PHE~A 73 -25.83 8.44 -17.90 -23.57 8.20 -16.27 -24.70 8.32 -17.08 3 0 16.31 -999 ? CA CA A 301 >ALA~A 74 -30.19 10.63 -21.60 -31.68 10.42 -21.35 -30.93 10.53 -21.48 2 0 18.49 -999 ? CA CA A 301 >ASP~A 75 -29.63 15.16 -19.97 -31.70 15.36 -19.47 -30.67 15.26 -19.72 2 0 14.34 -999 ? CA CA A 301 >LEU~A 76 -24.92 12.48 -20.90 -22.76 12.16 -20.93 -23.84 12.32 -20.91 3 0 15.93 -999 ? CA CA A 301 >VAL~A 77 -26.44 11.33 -24.92 -27.14 9.27 -25.35 -26.79 10.30 -25.14 3 0 17.21 -999 ? NI NI A 304 >LYS~A 78 -28.42 14.17 -26.53 -31.51 16.17 -30.16 -29.97 15.17 -28.34 2 0 23.27 -999 ? CA CA A 301 >SER~A 79 -25.42 16.48 -26.01 -23.81 17.85 -24.82 -24.61 17.16 -25.42 2 0 16.97 -999 ? CA CA A 301 >LEU~A 80 -22.67 12.53 -26.63 -21.40 12.16 -24.90 -22.04 12.34 -25.77 3 0 14.07 -999 ? NI NI A 304 >ASP~A 81 -26.56 13.16 -30.46 -27.24 11.22 -29.94 -26.90 12.19 -30.20 2 0 18.70 -999 ? NI NI A 304 >ALA~A 82 -24.62 16.98 -31.39 -25.35 18.12 -30.70 -24.99 17.55 -31.04 2 0 21.17 -999 ? NI NI A 304 >HIS~A 83 -20.38 17.51 -27.93 -20.16 19.07 -26.55 -20.27 18.29 -27.24 3 0 17.38 -999 ? NI NI A 304 >VAL~A 84 -20.16 13.92 -32.56 -20.09 11.74 -32.19 -20.12 12.83 -32.37 3 0 14.96 -999 ? NI NI A 304 >ALA~A 85 -22.28 15.15 -35.49 -23.77 15.40 -35.47 -23.03 15.28 -35.48 2 0 20.35 -999 ? NI NI A 304 >ALA~A 86 -20.35 18.44 -35.44 -20.40 19.47 -34.33 -20.37 18.96 -34.88 2 0 20.62 -999 ? NI NI A 304 >PHE~A 87 -15.23 15.08 -34.28 -12.65 14.01 -34.51 -13.94 14.54 -34.39 3 0 14.67 -999 ? NI NI A 304 >ALA~A 88 -18.23 14.39 -38.25 -19.54 13.62 -38.30 -18.88 14.00 -38.27 2 0 18.79 -999 ? NI NI A 304 >GLU~A 89 -21.16 18.26 -40.17 -21.59 18.20 -42.25 -21.38 18.23 -41.21 2 0 25.01 -999 ? NI NI A 304 >ASP~A 90 -14.57 18.81 -37.83 -12.52 19.38 -37.82 -13.54 19.09 -37.82 2 0 20.31 -999 ? NI NI A 304 >LEU~A 91 -14.04 13.99 -39.85 -12.72 13.34 -38.24 -13.38 13.67 -39.04 3 0 17.48 -999 ? NI NI A 304 >GLU~A 92 -15.71 18.15 -44.39 -15.11 19.36 -46.01 -15.41 18.76 -45.20 2 0 26.61 -999 ? NI NI A 304 >PHE.A 93 -16.69 10.81 -41.88 -14.54 9.88 -40.35 -15.62 10.34 -41.12 3 0 18.21 -999 ? NI NI A 304 >ASP.A 94 -19.72 10.83 -48.01 -21.47 10.84 -49.25 -20.60 10.84 -48.63 2 0 21.52 -999 ? NI NI B 305 >LEU.A 95 -23.02 10.64 -42.97 -21.76 10.62 -41.19 -22.39 10.63 -42.08 3 0 21.88 -999 ? NI NI A 304 >ASP.A 96 -25.65 8.23 -47.38 -24.09 7.78 -48.74 -24.87 8.01 -48.06 2 0 21.09 -999 ? NI NI B 305 >GLY.A 97 -28.92 9.22 -45.08 -28.19 9.03 -44.77 -28.56 9.12 -44.93 1 0 26.69 -999 ? NI NI B 305 >ARG.A 98 -25.95 5.08 -43.97 -24.52 2.34 -44.05 -25.24 3.71 -44.01 2 0 20.57 -999 ? NI NI B 305 >ALA.A 99 -26.43 9.74 -38.92 -27.39 10.53 -38.03 -26.91 10.13 -38.47 2 0 22.23 -999 ? NI NI A 304 >LEU^A 100 -22.48 9.10 -36.15 -20.64 8.88 -37.30 -21.56 8.99 -36.72 3 0 16.85 -999 ? NI NI A 304 >GLU^A 101 -27.78 6.23 -34.62 -28.76 7.90 -33.74 -28.27 7.07 -34.18 2 0 20.45 -999 ? NI NI A 304 >LEU^A 102 -24.47 6.48 -28.80 -24.05 6.29 -26.69 -24.26 6.39 -27.75 3 0 13.98 -999 ? NI NI A 304 >GLU^A 103 -23.83 -0.23 -30.74 -22.64 -1.94 -31.08 -23.24 -1.08 -30.91 2 0 14.47 -999 ? CA CA B 303 >ASP^A 104 -20.27 0.99 -26.46 -20.60 -0.84 -27.46 -20.44 0.08 -26.96 2 0 11.20 -999 ? NI NI A 304 >LEU^A 105 -22.53 5.00 -23.19 -23.11 6.78 -22.11 -22.82 5.89 -22.65 3 0 12.35 -999 ? NI NI A 304 >TRP^A 106 -16.25 2.34 -20.13 -16.29 2.41 -24.07 -16.27 2.37 -22.10 3 0 6.26 -999 ? NI NI A 304 >ILE^A 107 -19.31 4.74 -15.42 -20.27 5.32 -14.56 -19.79 5.03 -14.99 3 0 13.32 -999 ? NI NI A 304 >ASN^A 108 -13.61 4.93 -16.45 -13.33 3.48 -17.96 -13.47 4.20 -17.21 2 0 7.27 -999 ? NI NI A 304 >ILE^A 109 -14.77 5.03 -10.72 -15.72 5.58 -9.69 -15.24 5.31 -10.21 3 0 11.54 -999 ? CA CA A 306 >LEU^A 110 -9.23 5.57 -12.93 -7.54 4.65 -13.94 -8.38 5.11 -13.43 3 0 11.66 -999 ? NI NI A 304 >PRO.A 111 -8.98 2.99 -8.23 -8.57 5.11 -8.90 -8.78 4.05 -8.57 3 0 11.72 -999 ? CA CA A 302 >GLU.A 112 -2.93 7.09 -5.49 -2.54 7.70 -3.48 -2.74 7.40 -4.48 2 0 -2.98 -999 ? CA CA A 302s >GLY.A 113 -2.38 4.05 -9.32 -3.10 4.18 -9.66 -2.74 4.11 -9.49 1 0 8.86 -999 ? CA CA A 302 >GLY.A 114 -4.84 2.83 -11.96 -4.27 3.38 -12.10 -4.56 3.10 -12.03 1 0 12.41 -999 ? CA CA A 302 >SER.A 115 -4.09 2.55 -15.69 -1.77 3.10 -15.16 -2.93 2.82 -15.43 2 0 13.22 -999 ? NI NI A 304 >HIS^A 116 -7.88 2.26 -18.66 -9.47 2.70 -17.37 -8.67 2.48 -18.01 3 0 7.23 -999 ? NI NI A 304 >ALA^A 117 -3.31 -0.27 -21.61 -3.23 -1.78 -21.83 -3.27 -1.03 -21.72 2 0 9.93 -999 ? NI NI A 304 >SER^A 118 -2.77 1.07 -25.15 -1.27 2.29 -26.62 -2.02 1.68 -25.88 2 0 9.86 -999 ? NI NI A 304 >HIS^A 119 -7.63 0.70 -25.42 -8.53 2.19 -24.26 -8.08 1.44 -24.84 3 0 -3.69 -999 ? NI NI A 304s >ILE.A 120 -7.89 0.77 -31.52 -7.23 0.16 -32.55 -7.56 0.46 -32.04 3 0 8.68 -999 ? NI NI A 304 >HIS.A 121 -12.61 2.09 -28.60 -12.23 2.44 -26.56 -12.42 2.27 -27.58 3 0 -3.63 -999 ? NI NI A 304s >PRO.A 122 -12.80 -3.49 -31.65 -12.93 -1.53 -32.75 -12.87 -2.51 -32.20 3 0 10.03 -999 ? NI NI A 304 >HIS.A 123 -16.87 -4.00 -35.22 -16.06 -5.92 -35.48 -16.46 -4.96 -35.35 3 0 13.29 -999 ? CA CA B 303 >SER.A 124 -16.69 2.20 -34.43 -16.43 1.36 -32.16 -16.56 1.78 -33.29 2 0 9.62 -999 ? NI NI A 304 >VAL.A 125 -16.35 5.50 -36.29 -17.63 6.19 -37.94 -16.99 5.84 -37.12 3 0 13.94 -999 ? NI NI A 304 >ILE^A 126 -16.78 9.37 -33.46 -16.04 10.52 -34.10 -16.41 9.95 -33.78 3 0 12.20 -999 ? NI NI A 304 >SER^A 127 -14.78 7.24 -29.97 -14.14 4.91 -30.21 -14.46 6.08 -30.09 2 0 6.45 -999 ? NI NI A 304 >GLY^A 128 -14.74 9.68 -27.07 -14.93 8.99 -26.74 -14.83 9.34 -26.90 1 0 7.35 -999 ? NI NI A 304 >THR^A 129 -14.59 10.44 -23.35 -13.12 9.26 -22.29 -13.85 9.85 -22.82 2 0 6.33 -999 ? NI NI A 304 >THR^A 130 -16.25 13.13 -21.25 -18.28 13.57 -20.56 -17.26 13.35 -20.90 2 0 12.91 -999 ? NI NI A 304 >TYR^A 131 -12.31 13.71 -19.00 -10.79 12.16 -20.76 -11.55 12.93 -19.88 3 0 10.29 -999 ? NI NI A 304 >VAL.A 132 -16.42 13.99 -14.60 -18.22 12.74 -14.33 -17.32 13.36 -14.46 3 0 9.19 -999 ? CA CA A 306 >SER.A 133 -13.59 14.24 -12.04 -13.08 13.73 -9.72 -13.34 13.98 -10.88 2 0 4.86 -999 ? CA CA A 306 >MET.A 134 -10.11 15.65 -12.67 -8.88 14.92 -15.68 -9.50 15.29 -14.17 2 0 11.60 -999 ? CA CA A 306 >PRO.A 135 -8.86 13.59 -9.02 -8.33 15.50 -10.12 -8.60 14.55 -9.57 3 0 7.59 -999 ? CA CA A 306 >GLY.A 136 -4.15 16.62 -9.82 -4.70 16.92 -10.32 -4.42 16.77 -10.07 1 0 11.63 -999 ? CA CA A 306 >GLY.A 137 -2.03 18.07 -12.62 -1.94 17.26 -12.43 -1.99 17.66 -12.52 1 0 14.81 -999 ? CA CA A 306 >THR.A 138 -1.57 14.84 -14.60 -1.20 13.51 -12.92 -1.38 14.18 -13.76 2 0 12.42 -999 ? CA CA A 302 >SER.A 139 -2.62 13.57 -18.05 -0.50 14.15 -19.08 -1.56 13.86 -18.56 2 0 15.61 -999 ? NI NI A 304 >ALA.A 140 -5.86 11.67 -18.64 -7.20 12.33 -18.40 -6.53 12.00 -18.52 2 0 11.16 -999 ? NI NI A 304 >LEU^A 141 -6.04 11.17 -23.18 -7.25 9.74 -24.30 -6.64 10.46 -23.74 3 0 7.83 -999 ? NI NI A 304 >LYS^A 142 -1.82 9.73 -24.13 2.97 5.99 -23.26 0.57 7.86 -23.69 2 0 14.03 -999 ? NI NI A 304 >LEU^A 143 -3.01 10.64 -28.74 -4.82 11.31 -27.73 -3.91 10.97 -28.24 3 0 10.47 -999 ? NI NI A 304 >GLU^A 144 1.81 5.70 -30.20 2.38 3.69 -29.88 2.09 4.70 -30.04 2 0 14.15 -999 ? NI NI A 304 >ASP.A 145 2.28 8.76 -34.03 2.39 9.78 -35.87 2.34 9.27 -34.95 2 0 18.22 -999 ? NI NI A 304 >PRO.A 146 -1.95 7.77 -36.80 -0.66 6.39 -35.61 -1.30 7.08 -36.20 3 0 15.21 -999 ? NI NI A 304 >ARG~A 147 1.99 9.46 -40.00 3.54 12.00 -39.24 2.76 10.73 -39.62 2 0 21.93 -999 ? NI NI A 304 >HIS~A 148 5.38 4.99 -32.76 7.02 5.39 -31.51 6.20 5.19 -32.14 3 0 18.59 -999 ? NI NI A 304 >ALA~A 149 5.60 1.53 -36.46 4.63 0.36 -36.50 5.11 0.94 -36.48 2 0 19.73 -999 ? NI NI A 304 >MET~A 150 6.36 2.94 -39.93 2.75 3.83 -41.82 4.56 3.38 -40.88 2 0 20.96 -999 ? NI NI B 305 >MET~A 151 8.95 5.30 -38.46 7.02 8.82 -37.46 7.98 7.06 -37.96 2 0 22.43 -999 ? NI NI A 304 >MET~A 152 11.47 2.56 -37.62 10.80 0.00 -35.47 11.14 1.28 -36.55 2 0 24.44 -999 ? NI NI A 304 >ALA.A 153 14.28 4.16 -39.63 14.44 3.87 -41.11 14.36 4.02 -40.37 2 0 29.78 -999 ? NI NI B 305 >ALA.A 154 13.22 7.77 -38.95 11.77 8.25 -39.04 12.49 8.01 -39.00 2 0 27.07 -999 ? NI NI A 304 >PRO.A 155 16.22 10.81 -38.21 14.85 9.57 -36.96 15.53 10.19 -37.58 3 0 29.97 -999 ? NI NI A 304 >ALA.A 156 13.23 10.94 -33.22 13.62 10.60 -31.79 13.43 10.77 -32.50 2 0 26.30 -999 ? NI NI A 304 >ARG.A 157 9.58 14.02 -35.46 8.24 13.80 -38.23 8.91 13.91 -36.85 2 0 25.34 -999 ? NI NI A 304 >ARG.A 158 16.04 19.72 -32.20 15.13 21.26 -34.70 15.58 20.49 -33.45 2 0 32.75 -999 ? NI NI A 304 >LYS.A 159 12.17 17.61 -27.47 15.70 15.20 -22.78 13.94 16.40 -25.13 2 0 27.24 -999 ? CA CA A 302 >THR.A 160 10.99 21.11 -28.43 12.80 22.26 -28.08 11.90 21.68 -28.26 2 0 30.10 -999 ? NI NI A 304 >ALA.A 161 9.05 20.07 -31.59 9.16 18.69 -32.23 9.11 19.38 -31.91 2 0 25.95 -999 ? NI NI A 304 >ARG~A 162 6.53 22.97 -35.99 6.11 21.84 -38.80 6.32 22.40 -37.39 2 0 28.37 -999 ? NI NI A 304 >ASP~A 163 1.30 20.20 -30.86 1.78 20.99 -28.95 1.54 20.60 -29.91 2 0 21.63 -999 ? NI NI A 304 >GLU~A 164 2.03 20.18 -36.55 1.23 21.62 -37.90 1.63 20.90 -37.23 2 0 25.12 -999 ? NI NI A 304 >LEU~A 165 5.99 17.28 -35.79 6.38 17.80 -37.86 6.18 17.54 -36.82 3 0 24.90 -999 ? NI NI A 304 >ARG~A 166 5.93 17.15 -30.01 7.54 17.94 -27.52 6.73 17.54 -28.77 2 0 23.27 -999 ? NI NI A 304 >GLN.A 167 6.83 9.65 -32.76 8.52 10.95 -32.65 7.67 10.30 -32.71 2 0 22.04 -999 ? NI NI A 304 >PHE^A 168 4.20 9.10 -27.54 5.46 6.65 -28.03 4.83 7.87 -27.79 3 0 16.43 -999 ? NI NI A 304 >ILE^A 169 -0.77 14.09 -28.60 -0.33 15.41 -28.90 -0.55 14.75 -28.75 3 0 15.46 -999 ? NI NI A 304 >TYR^A 170 1.42 13.38 -22.88 3.34 11.36 -22.90 2.38 12.37 -22.89 3 0 15.79 -999 ? NI NI A 304 >VAL^A 171 -4.12 15.81 -22.92 -5.73 15.89 -24.42 -4.92 15.85 -23.67 3 0 13.36 -999 ? NI NI A 304 >THR.A 172 -5.06 17.25 -19.53 -3.57 17.68 -18.02 -4.32 17.47 -18.77 2 0 16.78 -999 ? CA CA A 306 >PRO.A 173 -8.90 15.70 -20.51 -8.16 17.65 -19.70 -8.53 16.67 -20.11 3 0 13.78 -999 ? NI NI A 304 >ALA.A 174 -10.72 19.94 -17.13 -10.98 21.44 -17.19 -10.85 20.69 -17.16 2 0 13.13 -999 ? CA CA A 306 >VAL.A 175 -14.02 18.78 -15.61 -14.00 19.07 -13.43 -14.01 18.93 -14.52 3 0 9.11 -999 ? CA CA A 306 >GLY.A 176 -16.93 18.91 -18.06 -16.18 18.74 -18.33 -16.56 18.82 -18.19 1 0 12.58 -999 ? CA CA A 306 >ASP^A 177 -13.19 18.68 -21.15 -12.48 20.64 -20.80 -12.84 19.66 -20.97 2 0 15.76 -999 ? CA CA A 306 >VAL^A 178 -15.42 16.06 -23.90 -17.34 15.82 -25.04 -16.38 15.94 -24.47 3 0 13.26 -999 ? NI NI A 304 >LEU^A 179 -11.43 14.14 -25.66 -9.59 15.13 -25.11 -10.51 14.64 -25.39 3 0 10.75 -999 ? NI NI A 304 >LEU^A 180 -14.60 13.44 -30.34 -16.70 13.27 -29.89 -15.65 13.36 -30.11 3 0 11.88 -999 ? NI NI A 304 >TRP^A 181 -10.21 8.07 -30.50 -11.08 9.23 -26.84 -10.65 8.65 -28.67 3 0 6.14 -999 ? NI NI A 304 >GLU^A 182 -11.04 10.12 -36.92 -10.45 10.15 -38.96 -10.75 10.13 -37.94 2 0 15.51 -999 ? NI NI A 304 >SER.A 183 -11.85 5.13 -33.39 -14.24 4.93 -33.29 -13.05 5.03 -33.34 2 0 9.24 -999 ? NI NI A 304 >TRP.A 184 -9.68 5.23 -37.98 -6.80 7.88 -37.55 -8.24 6.56 -37.76 3 0 13.51 -999 ? NI NI A 304 >LEU.A 185 -6.85 7.54 -32.64 -5.32 9.08 -32.41 -6.09 8.31 -32.53 3 0 10.10 -999 ? NI NI A 304 >ARG^A 186 -0.98 2.39 -29.96 -1.75 -0.06 -31.65 -1.36 1.17 -30.80 2 0 12.05 -999 ? NI NI A 304 >HIS^A 187 -7.23 5.85 -26.66 -9.01 4.75 -26.69 -8.12 5.30 -26.68 3 0 -3.59 -999 ? NI NI A 304s >GLU^A 188 -1.46 3.98 -22.30 0.62 3.68 -22.46 -0.42 3.83 -22.38 2 0 11.68 -999 ? NI NI A 304 >VAL^A 189 -4.92 6.33 -20.13 -7.04 6.52 -19.54 -5.98 6.42 -19.83 3 0 7.35 -999 ? NI NI A 304 >PRO.A 190 -1.66 8.91 -19.55 -2.35 7.06 -18.47 -2.01 7.99 -19.01 3 0 11.29 -999 ? NI NI A 304 >MET.A 191 -1.31 6.40 -14.30 0.93 4.31 -11.43 -0.19 5.35 -12.87 2 0 10.43 -999 ? CA CA A 302 >ASN.A 192 -4.75 8.04 -11.36 -5.74 9.45 -10.12 -5.24 8.75 -10.74 2 0 10.14 -999 ? CA CA A 302 >MET.A 193 -1.08 10.18 -9.30 1.66 9.02 -10.94 0.29 9.60 -10.12 2 0 9.38 -999 ? CA CA A 302 >SER.A 194 -3.34 11.88 -6.70 -5.38 12.98 -7.40 -4.36 12.43 -7.05 2 0 9.10 -999 ? CA CA A 302 >GLU.A 195 -3.71 10.89 -2.05 -2.53 10.06 -0.48 -3.12 10.48 -1.26 2 0 -3.34 -999 ? CA CA A 302s >ASP.A 196 -9.18 12.61 -5.36 -9.90 13.29 -3.47 -9.54 12.95 -4.41 2 0 6.39 -999 ? CA CA A 306 >ASP.A 197 -12.14 8.73 -7.75 -12.16 7.25 -6.26 -12.15 7.99 -7.01 2 0 9.27 -999 ? CA CA A 306 >ARG^A 198 -7.58 10.63 -14.31 -5.28 12.67 -14.13 -6.43 11.65 -14.22 2 0 13.22 -999 ? CA CA A 306 >ILE^A 199 -15.18 9.94 -12.15 -16.16 9.72 -11.19 -15.67 9.83 -11.67 3 0 8.46 -999 ? CA CA A 306 >SER^A 200 -14.80 9.62 -16.70 -13.06 8.20 -17.63 -13.93 8.91 -17.16 2 0 8.62 -999 ? NI NI A 304 >VAL^A 201 -17.56 8.42 -19.02 -19.73 8.66 -18.76 -18.65 8.54 -18.89 3 0 10.83 -999 ? NI NI A 304 >SER^A 202 -16.35 6.85 -22.26 -13.93 6.63 -22.28 -15.14 6.74 -22.27 2 0 4.82 -999 ? NI NI A 304 >PHE^A 203 -18.96 8.51 -25.60 -17.97 11.08 -26.07 -18.46 9.79 -25.83 3 0 9.70 -999 ? NI NI A 304 >ASN^A 204 -18.02 3.14 -29.01 -15.99 2.73 -28.54 -17.01 2.93 -28.78 2 0 6.50 -999 ? NI NI A 304 >TYR^A 205 -21.20 8.17 -31.41 -22.93 9.66 -29.80 -22.07 8.91 -30.61 3 0 13.62 -999 ? NI NI A 304 >ARG^A 206 -22.64 0.50 -34.53 -24.99 -0.48 -36.25 -23.81 0.01 -35.39 2 0 17.65 -999 ? CA CA B 303 >TRP^A 207 -23.03 6.23 -40.88 -21.50 5.17 -44.34 -22.26 5.70 -42.61 3 0 21.27 -999 ? NI NI A 304 >ALA.A 208 -25.95 3.08 -39.32 -27.21 3.87 -38.98 -26.58 3.48 -39.15 2 0 21.69 -999 ? NI NI A 304 >SER.B 6 10.67 -20.46 -33.07 12.95 -20.49 -33.95 11.81 -20.47 -33.51 2 0 34.07 -999 ? CA CA B 303 >LEU.B 7 6.29 -19.92 -31.84 4.55 -20.81 -30.85 5.42 -20.36 -31.35 3 0 26.37 -999 ? CA CA B 303 >SER.B 8 4.51 -18.88 -36.03 5.40 -20.07 -37.94 4.95 -19.47 -36.98 2 0 27.12 -999 ? NI NI B 305 >LEU.B 9 2.48 -15.36 -33.81 2.61 -16.19 -31.82 2.54 -15.78 -32.81 3 0 23.33 -999 ? CA CA B 303 >PHE.B 10 0.54 -11.84 -34.69 0.86 -11.41 -31.94 0.70 -11.63 -33.32 3 0 21.14 -999 ? NI NI A 304 >VAL.B 11 -0.83 -15.33 -39.74 -0.44 -17.47 -40.13 -0.64 -16.40 -39.93 3 0 20.83 -999 ? NI NI B 305 >THR.B 12 -2.55 -14.06 -42.90 -2.31 -12.20 -43.97 -2.43 -13.13 -43.43 2 0 15.06 -999 ? NI NI B 305 >ARG.B 13 -4.25 -19.48 -42.40 -4.50 -22.44 -43.20 -4.38 -20.96 -42.80 2 0 21.21 -999 ? NI NI B 305 >LEU.B 14 -3.96 -17.07 -49.17 -4.02 -16.36 -51.22 -3.99 -16.72 -50.19 3 0 13.26 -999 ? NI NI B 305 >TYR^B 15 -10.51 -20.18 -49.32 -12.54 -22.03 -49.84 -11.52 -21.11 -49.58 3 0 16.36 -999 ? NI NI B 305 >HIS^B 16 -5.67 -21.14 -54.74 -5.34 -21.35 -56.80 -5.51 -21.25 -55.77 3 0 15.81 -999 ? NI NI B 305 >ALA^B 17 -9.66 -23.82 -53.96 -10.57 -24.14 -52.79 -10.11 -23.98 -53.38 2 0 18.38 -999 ? NI NI B 305 >PRO^B 18 -10.81 -27.07 -56.60 -11.08 -24.84 -56.56 -10.94 -25.95 -56.58 3 0 20.03 -999 ? NI NI B 305 >LEU.B 19 -15.61 -22.59 -58.39 -16.97 -20.91 -58.28 -16.29 -21.75 -58.34 3 0 17.32 -999 ? NI NI B 305 >SER~B 20 -16.50 -27.06 -57.74 -14.71 -28.41 -58.64 -15.61 -27.74 -58.19 2 0 23.19 -999 ? NI NI B 305 >ASP~B 21 -14.50 -27.44 -53.30 -12.66 -28.25 -53.95 -13.58 -27.85 -53.63 2 0 22.52 -999 ? NI NI B 305 >HIS~B 22 -17.86 -25.50 -50.84 -16.94 -26.15 -49.07 -17.40 -25.83 -49.96 3 0 22.02 -999 ? NI NI B 305 >GLY.B 23 -22.34 -25.18 -54.28 -21.98 -25.83 -54.55 -22.16 -25.50 -54.42 1 0 23.03 -999 ? NI NI B 305 >PRO.B 24 -25.37 -23.96 -57.00 -23.78 -25.57 -57.02 -24.58 -24.77 -57.01 3 0 24.02 -999 ? NI NI B 305 >ALA.B 25 -22.22 -26.73 -60.90 -22.43 -27.99 -61.69 -22.33 -27.36 -61.29 2 0 26.17 -999 ? NI NI B 305 >ILE.B 26 -20.67 -22.45 -62.26 -20.69 -21.44 -61.53 -20.68 -21.94 -61.89 3 0 20.39 -999 ? NI NI B 305 >ASP~B 27 -21.16 -24.87 -67.71 -20.16 -25.44 -69.49 -20.66 -25.16 -68.60 2 0 26.12 -999 ? NI NI B 305 >ALA~B 28 -16.96 -22.63 -67.34 -15.58 -23.27 -67.25 -16.27 -22.95 -67.29 2 0 21.68 -999 ? NI NI B 305 >GLU~B 29 -17.38 -22.83 -73.54 -18.54 -23.97 -74.92 -17.96 -23.40 -74.23 2 0 27.87 -999 ? NI NI B 305 >GLU~B 30 -23.64 -21.41 -69.78 -24.93 -22.08 -68.23 -24.28 -21.74 -69.00 2 0 25.54 -999 ? NI NI B 305 >MET~B 31 -20.00 -18.19 -68.12 -19.86 -17.13 -64.24 -19.93 -17.66 -66.18 2 0 17.41 -999 ? NI NI B 305 >GLU~B 32 -15.02 -16.95 -71.76 -13.90 -18.05 -73.18 -14.46 -17.50 -72.47 2 0 21.76 -999 ? NI NI B 305 >SER~B 33 -19.79 -15.84 -72.82 -21.16 -17.82 -73.17 -20.47 -16.83 -72.99 2 0 24.13 -999 ? NI NI B 305 >SER~B 34 -22.10 -14.67 -70.00 -23.10 -16.65 -69.01 -22.60 -15.66 -69.51 2 0 21.79 -999 ? NI NI B 305 >CYH~B 35 -19.51 -12.05 -69.02 -18.15 -13.27 -66.92 -18.83 -12.66 -67.97 2 0 15.94 -999 ? NI NI B 305 >TYR~B 36 -17.07 -12.06 -73.78 -14.28 -12.36 -73.84 -15.68 -12.21 -73.81 3 0 20.19 -999 ? NI NI B 305 >ALA~B 37 -22.88 -10.73 -73.24 -23.86 -11.89 -73.21 -23.37 -11.31 -73.23 2 0 23.41 -999 ? NI NI B 305 >ILE~B 38 -22.94 -8.95 -68.70 -23.30 -9.24 -67.40 -23.12 -9.10 -68.05 3 0 18.62 -999 ? NI NI B 305 >ALA~B 39 -20.16 -6.34 -71.14 -18.74 -6.88 -71.28 -19.45 -6.61 -71.21 2 0 18.17 -999 ? NI NI B 305 >GLU~B 40 -19.65 -7.02 -76.00 -19.19 -8.60 -77.34 -19.42 -7.81 -76.67 2 0 23.91 -999 ? NI NI B 305 >ASP.B 41 -25.97 -5.97 -72.92 -27.99 -5.32 -73.02 -26.98 -5.65 -72.97 2 0 25.32 -999 ? NI NI B 305 >ASP~B 42 -22.61 -3.06 -69.64 -22.72 -1.93 -67.85 -22.67 -2.50 -68.74 2 0 18.39 -999 ? NI NI B 305 >GLU~B 43 -26.02 0.23 -73.88 -25.38 -0.28 -75.86 -25.70 -0.02 -74.87 2 0 26.30 -999 ? NI NI B 305 >ALA~B 44 -23.24 2.66 -69.27 -24.25 2.76 -68.14 -23.74 2.71 -68.71 2 0 21.16 -999 ? NI NI B 305 >GLY~B 45 -20.30 0.43 -68.29 -20.38 0.81 -69.02 -20.34 0.62 -68.65 1 0 17.79 -999 ? NI NI B 305 >GLN~B 46 -18.81 -1.27 -73.26 -19.28 -1.92 -75.25 -19.05 -1.60 -74.25 2 0 22.28 -999 ? NI NI B 305 >GLY~B 47 -19.22 4.48 -71.48 -18.85 4.02 -70.91 -19.03 4.25 -71.19 1 0 21.31 -999 ? NI NI B 305 >TRP~B 48 -18.14 6.05 -64.88 -15.36 3.92 -63.08 -16.75 4.98 -63.98 3 0 15.54 -999 ? NI NI B 305 >CYH~B 49 -14.53 2.94 -68.74 -14.94 0.30 -67.91 -14.74 1.62 -68.33 2 0 14.83 -999 ? NI NI B 305 >GLU~B 50 -13.23 5.78 -74.13 -14.26 6.16 -75.95 -13.74 5.97 -75.04 2 0 24.18 -999 ? NI NI B 305 >GLU~B 51 -16.78 9.18 -70.22 -18.83 9.09 -69.69 -17.80 9.13 -69.96 2 0 22.61 -999 ? NI NI B 305 >ASN~B 52 -12.94 6.22 -65.59 -12.73 7.00 -63.62 -12.83 6.61 -64.61 2 0 15.59 -999 ? NI NI B 305 >GLY~B 53 -9.40 5.82 -68.64 -9.89 5.39 -68.12 -9.64 5.60 -68.38 1 0 17.62 -999 ? NI NI B 305 >TYR.B 54 -11.45 0.75 -65.78 -11.53 -1.42 -64.02 -11.49 -0.34 -64.90 3 0 11.06 -999 ? NI NI B 305 >PRO.B 55 -6.11 0.66 -66.94 -7.95 0.21 -68.18 -7.03 0.44 -67.56 3 0 13.86 -999 ? NI NI B 305 >GLY.B 56 -10.26 -2.88 -69.60 -10.59 -2.15 -69.46 -10.43 -2.51 -69.53 1 0 14.39 -999 ? NI NI B 305 >TYR^B 57 -16.19 -4.30 -69.06 -18.86 -4.46 -68.25 -17.53 -4.38 -68.65 3 0 15.35 -999 ? NI NI B 305 >THR^B 58 -15.72 -3.35 -65.18 -15.34 -2.24 -63.34 -15.53 -2.79 -64.26 2 0 10.34 -999 ? NI NI B 305 >SER.B 59 -19.36 -3.57 -64.12 -19.85 -5.79 -63.23 -19.61 -4.68 -63.67 2 0 12.75 -999 ? NI NI B 305 >TYR.B 60 -17.13 -1.59 -58.60 -17.07 -0.63 -55.97 -17.10 -1.11 -57.29 3 0 9.06 -999 ? NI NI B 305 >ALA.B 61 -19.86 1.34 -61.00 -18.91 2.54 -61.09 -19.39 1.94 -61.05 2 0 13.75 -999 ? NI NI B 305 >SER.B 62 -22.39 0.18 -63.59 -22.61 -0.21 -65.96 -22.50 -0.01 -64.78 2 0 17.58 -999 ? NI NI B 305 >LEU.B 63 -24.39 -4.10 -63.75 -25.55 -4.19 -65.60 -24.97 -4.14 -64.67 3 0 17.92 -999 ? NI NI B 305 >THR.B 64 -25.12 -3.86 -59.08 -26.20 -2.11 -58.37 -25.66 -2.98 -58.72 2 0 17.22 -999 ? NI NI B 305 >ASP~B 65 -28.81 -6.82 -57.89 -30.04 -5.31 -58.71 -29.42 -6.07 -58.30 2 0 20.64 -999 ? NI NI B 305 >LEU~B 66 -24.57 -9.53 -61.45 -23.35 -8.32 -62.81 -23.96 -8.93 -62.13 3 0 16.01 -999 ? NI NI B 305 >PRO~B 67 -26.66 -11.52 -57.18 -26.98 -11.91 -59.36 -26.82 -11.72 -58.27 3 0 18.29 -999 ? NI NI B 305 >TRP~B 68 -33.13 -8.41 -59.87 -36.01 -10.40 -58.06 -34.57 -9.41 -58.96 3 0 25.38 -999 ? NI NI B 305 >ARG~B 69 -29.41 -6.49 -63.38 -29.52 -5.70 -66.36 -29.46 -6.09 -64.87 2 0 22.61 -999 ? NI NI B 305 >PHE~B 70 -27.52 -11.62 -65.85 -27.73 -9.31 -67.41 -27.63 -10.46 -66.63 3 0 21.57 -999 ? NI NI B 305 >PRO~B 71 -30.08 -17.14 -65.57 -29.35 -16.27 -63.63 -29.72 -16.71 -64.60 3 0 24.47 -999 ? NI NI B 305 >ILE~B 72 -25.01 -18.44 -64.83 -23.95 -18.58 -65.62 -24.48 -18.51 -65.23 3 0 21.67 -999 ? NI NI B 305 >PHE~B 73 -23.58 -13.67 -62.51 -21.58 -13.05 -64.36 -22.58 -13.36 -63.44 3 0 16.83 -999 ? NI NI B 305 >ALA~B 74 -27.30 -16.58 -58.64 -28.78 -16.75 -58.91 -28.04 -16.67 -58.77 2 0 22.20 -999 ? NI NI B 305 >ASP~B 75 -25.75 -20.95 -60.07 -27.69 -21.73 -60.41 -26.72 -21.34 -60.24 2 0 24.42 -999 ? NI NI B 305 >LEU~B 76 -21.67 -17.37 -59.46 -19.57 -16.75 -59.54 -20.62 -17.06 -59.50 3 0 16.06 -999 ? NI NI B 305 >VAL~B 77 -23.22 -16.55 -55.38 -24.28 -14.67 -54.90 -23.75 -15.61 -55.14 3 0 17.07 -999 ? NI NI B 305 >LYS~B 78 -24.78 -19.72 -53.92 -29.05 -23.56 -52.85 -26.91 -21.64 -53.39 2 0 25.94 -999 ? CA CA B 303 >SER~B 79 -21.44 -21.50 -54.43 -19.64 -22.64 -55.59 -20.54 -22.07 -55.01 2 0 19.41 -999 ? NI NI B 305 >LEU~B 80 -19.40 -17.11 -53.81 -18.16 -16.50 -55.49 -18.78 -16.81 -54.65 3 0 14.18 -999 ? NI NI B 305 >ASP~B 81 -23.01 -18.44 -49.89 -23.99 -16.67 -50.55 -23.50 -17.55 -50.22 2 0 18.56 -999 ? NI NI B 305 >ALA~B 82 -20.32 -21.85 -49.01 -20.79 -23.12 -49.71 -20.56 -22.49 -49.36 2 0 21.25 -999 ? NI NI B 305 >HIS~B 83 -16.05 -21.62 -52.39 -15.59 -23.14 -53.77 -15.82 -22.38 -53.08 3 0 17.68 -999 ? NI NI B 305 >VAL~B 84 -16.76 -18.01 -47.75 -17.29 -15.88 -48.09 -17.03 -16.95 -47.92 3 0 15.26 -999 ? NI NI B 305 >ALA~B 85 -18.58 -19.74 -44.85 -19.95 -20.40 -44.93 -19.26 -20.07 -44.89 2 0 16.03 -999 ? CA CA B 303 >ALA~B 86 -15.95 -22.50 -44.83 -15.76 -23.52 -45.94 -15.85 -23.01 -45.39 2 0 18.65 -999 ? CA CA B 303 >PHE~B 87 -11.66 -18.10 -46.00 -9.30 -16.59 -45.86 -10.48 -17.35 -45.93 3 0 14.92 -999 ? NI NI B 305 >ALA~B 88 -14.80 -18.10 -41.94 -16.25 -17.67 -41.88 -15.53 -17.88 -41.91 2 0 13.21 -999 ? CA CA B 303 >GLU~B 89 -15.23 -23.75 -39.37 -16.24 -23.09 -37.63 -15.74 -23.42 -38.50 2 0 11.52 -999 ? CA CA B 303 >ASP~B 90 -10.23 -21.58 -42.46 -8.09 -21.67 -42.56 -9.16 -21.63 -42.51 2 0 18.88 -999 ? CA CA B 303 >LEU~B 91 -10.83 -16.72 -40.57 -9.53 -15.86 -42.08 -10.18 -16.29 -41.32 3 0 15.74 -999 ? CA CA B 303 >GLU.B 92 -10.18 -20.36 -35.99 -10.44 -22.09 -34.83 -10.31 -21.22 -35.41 2 0 12.87 -999 ? CA CA B 303 >PHE.B 93 -13.98 -14.25 -38.58 -12.12 -12.70 -40.01 -13.05 -13.48 -39.29 3 0 12.64 -999 ? CA CA B 303 >ASP.B 94 -16.77 -14.78 -32.39 -18.46 -15.06 -31.10 -17.61 -14.92 -31.74 2 0 -2.87 -999 ? CA CA B 303s >LEU.B 95 -20.09 -15.22 -37.29 -18.71 -15.21 -38.99 -19.40 -15.22 -38.14 3 0 8.78 -999 ? CA CA B 303 >ASP.B 96 -23.48 -13.65 -33.09 -22.31 -12.65 -31.66 -22.90 -13.15 -32.37 2 0 4.50 -999 ? CA CA B 303 >GLY.B 97 -26.11 -15.86 -35.36 -25.49 -15.39 -35.65 -25.80 -15.62 -35.50 1 0 8.10 -999 ? CA CA B 303 >ARG.B 98 -24.48 -9.95 -37.71 -23.29 -7.54 -36.21 -23.88 -8.75 -36.96 2 0 11.28 -999 ? CA CA B 303 >ALA.B 99 -23.29 -15.18 -41.23 -23.80 -16.26 -42.17 -23.55 -15.72 -41.70 2 0 13.10 -999 ? CA CA B 303 >LEU.B 100 -19.77 -13.71 -44.23 -18.03 -13.06 -43.10 -18.90 -13.38 -43.66 3 0 14.54 -999 ? CA CA B 303 >GLU^B 101 -25.45 -12.05 -45.21 -26.04 -14.03 -45.67 -25.74 -13.04 -45.44 2 0 17.23 -999 ? CA CA B 303 >LEU^B 102 -22.82 -11.61 -51.52 -22.39 -11.31 -53.62 -22.61 -11.46 -52.57 3 0 14.37 -999 ? NI NI B 305 >GLU^B 103 -21.42 -4.91 -49.10 -19.88 -3.95 -47.98 -20.65 -4.43 -48.54 2 0 12.89 -999 ? NI NI B 305 >ASP^B 104 -19.74 -5.13 -53.85 -20.36 -3.51 -52.65 -20.05 -4.32 -53.25 2 0 11.37 -999 ? NI NI B 305 >LEU^B 105 -21.03 -9.57 -56.98 -21.08 -11.42 -58.13 -21.06 -10.49 -57.56 3 0 12.42 -999 ? NI NI B 305 >TRP^B 106 -15.45 -5.89 -60.07 -15.49 -5.89 -56.14 -15.47 -5.89 -58.10 3 0 6.34 -999 ? NI NI B 305 >ILE^B 107 -18.04 -8.82 -64.77 -18.90 -9.68 -65.56 -18.47 -9.25 -65.16 3 0 13.43 -999 ? NI NI B 305 >ASN^B 108 -12.53 -7.57 -63.84 -12.70 -5.76 -62.76 -12.61 -6.67 -63.30 2 0 7.81 -999 ? NI NI B 305 >ILE^B 109 -13.20 -8.07 -69.65 -13.98 -8.61 -70.69 -13.59 -8.34 -70.17 3 0 15.30 -999 ? NI NI B 305 >LEU^B 110 -7.77 -7.70 -67.37 -6.37 -6.61 -66.12 -7.07 -7.15 -66.75 3 0 11.53 -999 ? NI NI B 305 >PRO.B 111 -8.57 -5.38 -72.42 -7.26 -6.99 -71.51 -7.92 -6.18 -71.96 3 0 16.49 -999 ? NI NI B 305 >GLU.B 112 -0.93 -7.38 -74.21 0.03 -7.35 -76.11 -0.45 -7.37 -75.16 2 0 -22.76 -999 ? NI NI B 305s >GLY.B 113 -1.49 -4.12 -70.96 -2.11 -4.52 -70.63 -1.80 -4.32 -70.79 1 0 17.53 -999 ? NI NI B 305 >GLY.B 114 -4.30 -3.98 -68.39 -3.58 -4.34 -68.25 -3.94 -4.16 -68.32 1 0 14.04 -999 ? NI NI B 305 >SER.B 115 -3.54 -3.63 -64.68 -1.18 -3.44 -65.30 -2.36 -3.54 -64.99 2 0 13.16 -999 ? NI NI B 305 >HIS^B 116 -7.49 -3.87 -61.28 -9.28 -4.07 -62.35 -8.39 -3.97 -61.81 3 0 6.69 -999 ? NI NI B 305 >ALA^B 117 -3.41 -0.56 -58.89 -3.69 0.94 -58.77 -3.55 0.19 -58.83 2 0 9.69 -999 ? NI NI B 305 >SER^B 118 -2.58 -1.42 -55.26 -1.16 -1.65 -53.30 -1.87 -1.53 -54.28 2 0 9.81 -999 ? NI NI B 305 >HIS^B 119 -7.49 -2.20 -55.02 -8.07 -3.82 -56.22 -7.78 -3.01 -55.62 3 0 -3.53 -999 ? NI NI B 305s >ILE.B 120 -7.46 -2.48 -48.86 -6.83 -1.74 -47.83 -7.15 -2.11 -48.35 3 0 8.57 -999 ? NI NI B 305 >HIS.B 121 -11.85 -4.68 -51.78 -11.37 -4.89 -53.81 -11.61 -4.79 -52.80 3 0 -3.60 -999 ? NI NI B 305s >PRO.B 122 -12.21 0.70 -48.13 -12.90 -1.34 -47.50 -12.56 -0.32 -47.81 3 0 10.04 -999 ? NI NI B 305 >HIS.B 123 -17.13 0.41 -45.08 -16.63 2.43 -44.85 -16.88 1.42 -44.97 3 0 14.82 -999 ? NI NI B 305 >SER.B 124 -15.84 -5.66 -45.77 -16.30 -5.05 -48.07 -16.07 -5.35 -46.92 2 0 10.06 -999 ? NI NI B 305 >VAL.B 125 -14.70 -8.86 -44.06 -15.81 -9.76 -42.41 -15.26 -9.31 -43.23 3 0 13.95 -999 ? NI NI B 305 >ILE^B 126 -14.34 -12.81 -46.79 -13.20 -13.54 -46.32 -13.77 -13.18 -46.55 3 0 12.24 -999 ? NI NI B 305 >SER^B 127 -12.93 -10.30 -50.35 -12.81 -7.89 -50.08 -12.87 -9.10 -50.21 2 0 6.61 -999 ? NI NI B 305 >GLY^B 128 -12.27 -12.59 -53.30 -12.65 -11.97 -53.60 -12.46 -12.28 -53.45 1 0 7.45 -999 ? NI NI B 305 >THR^B 129 -12.09 -13.33 -57.01 -10.85 -11.92 -58.13 -11.47 -12.63 -57.57 2 0 6.57 -999 ? NI NI B 305 >THR^B 130 -13.11 -16.31 -59.13 -14.98 -17.32 -59.67 -14.04 -16.82 -59.40 2 0 13.17 -999 ? NI NI B 305 >TYR^B 131 -9.20 -16.29 -61.35 -7.98 -14.59 -59.50 -8.59 -15.44 -60.42 3 0 10.67 -999 ? NI NI B 305 >VAL^B 132 -13.26 -17.38 -65.76 -15.18 -16.33 -65.95 -14.22 -16.85 -65.85 3 0 15.63 -999 ? NI NI B 305 >SER^B 133 -10.40 -17.22 -68.30 -9.98 -16.63 -70.62 -10.19 -16.92 -69.46 2 0 18.43 -999 ? NI NI B 305 >MET.B 134 -6.68 -17.66 -67.65 -5.67 -16.37 -64.72 -6.18 -17.02 -66.18 2 0 14.40 -999 ? NI NI B 305 >PRO.B 135 -5.88 -15.76 -71.49 -4.85 -17.25 -70.13 -5.37 -16.50 -70.81 3 0 19.00 -999 ? NI NI B 305 >GLY.B 136 -0.60 -16.44 -70.27 -0.80 -17.18 -70.05 -0.70 -16.81 -70.16 1 0 20.18 -999 ? NI NI B 305 >GLY.B 137 0.49 -18.64 -67.37 0.53 -17.81 -67.38 0.51 -18.23 -67.38 1 0 20.05 -999 ? NI NI B 305 >THR.B 138 1.67 -15.56 -65.45 2.40 -14.20 -66.99 2.04 -14.88 -66.22 2 0 18.53 -999 ? NI NI B 305 >SER.B 139 0.49 -14.15 -62.10 2.68 -14.18 -61.04 1.58 -14.16 -61.57 2 0 15.78 -999 ? NI NI B 305 >ALA.B 140 -3.13 -13.00 -61.85 -4.31 -13.89 -62.21 -3.72 -13.44 -62.03 2 0 11.62 -999 ? NI NI B 305 >LEU^B 141 -3.54 -12.50 -57.35 -4.65 -11.53 -55.74 -4.10 -12.02 -56.55 3 0 8.26 -999 ? NI NI B 305 >LYS^B 142 0.13 -9.81 -56.44 3.59 -4.88 -57.01 1.86 -7.34 -56.73 2 0 13.37 -999 ? NI NI B 305 >LEU^B 143 -0.80 -11.24 -52.39 -2.14 -12.40 -51.23 -1.47 -11.82 -51.81 3 0 10.73 -999 ? NI NI B 305 >GLU^B 144 2.78 -5.24 -49.99 3.13 -3.29 -50.74 2.95 -4.26 -50.36 2 0 13.93 -999 ? NI NI B 305 >ASP.B 145 4.18 -8.01 -46.36 4.59 -9.01 -44.53 4.39 -8.51 -45.45 2 0 18.27 -999 ? NI NI B 305 >PRO.B 146 -0.17 -7.98 -43.42 0.83 -6.43 -44.70 0.33 -7.20 -44.06 3 0 15.28 -999 ? NI NI B 305 >ARG.B 147 3.78 -8.72 -40.00 5.97 -10.16 -41.63 4.88 -9.44 -40.82 2 0 21.34 -999 ? NI NI B 305 >HIS.B 148 6.24 -3.74 -47.54 7.83 -3.67 -48.90 7.03 -3.70 -48.22 3 0 18.38 -999 ? NI NI B 305 >ALA.B 149 5.50 -0.36 -43.85 4.23 0.46 -43.75 4.87 0.05 -43.80 2 0 19.34 -999 ? NI NI B 305 >MET.B 150 6.69 -1.44 -40.39 3.30 -2.88 -38.46 4.99 -2.16 -39.42 2 0 20.80 -999 ? NI NI A 304 >MET.B 151 9.75 -3.22 -41.80 8.80 -7.08 -42.90 9.27 -5.15 -42.35 2 0 22.41 -999 ? NI NI B 305 >MET.B 152 11.69 -0.07 -42.69 10.39 2.36 -44.90 11.04 1.14 -43.80 2 0 24.19 -999 ? NI NI B 305 >ALA.B 153 14.84 -0.87 -40.70 15.02 -0.38 -39.27 14.93 -0.63 -39.99 2 0 29.94 -999 ? NI NI A 304 >ALA.B 154 14.54 -4.65 -41.20 13.24 -5.42 -40.97 13.89 -5.03 -41.08 2 0 27.16 -999 ? NI NI B 305 >PRO.B 155 17.83 -7.30 -42.18 16.53 -5.86 -43.31 17.18 -6.58 -42.75 3 0 29.75 -999 ? NI NI B 305 >ALA.B 156 15.41 -7.60 -47.11 15.74 -7.15 -48.53 15.58 -7.38 -47.82 2 0 26.38 -999 ? NI NI B 305 >ARG.B 157 12.04 -10.72 -45.32 11.38 -11.87 -42.55 11.71 -11.29 -43.94 2 0 25.43 -999 ? NI NI B 305 >ARG.B 158 19.54 -16.27 -48.10 20.08 -17.20 -45.23 19.81 -16.74 -46.67 2 0 33.41 -999 ? NI NI B 305 >LYS.B 159 15.99 -14.57 -52.82 19.67 -12.66 -51.79 17.83 -13.62 -52.31 2 0 30.31 -999 ? NI NI B 305 >THR.B 160 15.03 -17.90 -51.77 17.19 -17.86 -51.65 16.11 -17.88 -51.71 2 0 29.61 -999 ? NI NI B 305 >ALA.B 161 12.98 -18.16 -48.61 12.88 -16.95 -47.69 12.93 -17.55 -48.15 2 0 26.26 -999 ? NI NI B 305 >ARG.B 162 11.46 -20.60 -44.52 11.73 -20.08 -41.52 11.59 -20.34 -43.02 2 0 29.21 -999 ? NI NI B 305 >ASP.B 163 5.53 -18.94 -49.54 6.46 -20.22 -50.93 6.00 -19.58 -50.23 2 0 22.00 -999 ? NI NI B 305 >GLU.B 164 7.04 -19.25 -44.07 7.68 -20.18 -42.28 7.36 -19.71 -43.17 2 0 26.04 -999 ? NI NI B 305 >LEU.B 165 9.73 -15.45 -44.75 10.31 -16.00 -42.72 10.02 -15.73 -43.74 3 0 24.94 -999 ? NI NI B 305 >ARG.B 166 10.21 -14.86 -50.61 10.48 -15.55 -53.59 10.34 -15.20 -52.10 2 0 22.37 -999 ? NI NI B 305 >GLN.B 167 8.59 -8.80 -47.03 9.88 -7.15 -46.70 9.23 -7.98 -46.86 2 0 21.49 -999 ? NI NI B 305 >PHE^B 168 5.97 -7.92 -52.72 6.39 -5.22 -52.12 6.18 -6.57 -52.42 3 0 16.16 -999 ? NI NI B 305 >ILE^B 169 2.20 -13.90 -51.75 2.90 -15.11 -51.52 2.55 -14.51 -51.64 3 0 15.39 -999 ? NI NI B 305 >TYR^B 170 4.23 -12.71 -57.64 5.48 -10.20 -57.84 4.86 -11.45 -57.74 3 0 15.66 -999 ? NI NI B 305 >VAL^B 171 -0.57 -16.29 -57.29 -2.08 -16.28 -55.70 -1.32 -16.29 -56.49 3 0 13.27 -999 ? NI NI B 305 >THR.B 172 -1.14 -18.21 -60.52 0.58 -18.51 -61.81 -0.28 -18.36 -61.17 2 0 17.34 -999 ? NI NI B 305 >PRO.B 173 -5.37 -17.15 -60.44 -4.15 -19.05 -60.49 -4.76 -18.10 -60.47 3 0 13.95 -999 ? NI NI B 305 >ALA.B 174 -6.23 -21.90 -62.97 -6.14 -23.42 -62.87 -6.18 -22.66 -62.92 2 0 19.22 -999 ? NI NI B 305 >VAL.B 175 -9.65 -21.54 -64.62 -9.54 -22.03 -66.76 -9.59 -21.79 -65.69 3 0 18.76 -999 ? NI NI B 305 >GLY.B 176 -12.48 -22.17 -62.17 -11.78 -21.87 -61.92 -12.13 -22.02 -62.04 1 0 17.70 -999 ? NI NI B 305 >ASP^B 177 -8.82 -21.23 -59.09 -7.75 -23.02 -59.40 -8.28 -22.13 -59.25 2 0 17.56 -999 ? NI NI B 305 >VAL^B 178 -11.55 -19.16 -56.33 -13.29 -19.13 -54.93 -12.42 -19.15 -55.63 3 0 13.44 -999 ? NI NI B 305 >LEU^B 179 -8.09 -16.27 -54.87 -6.09 -16.98 -55.28 -7.09 -16.63 -55.07 3 0 10.95 -999 ? NI NI B 305 >LEU^B 180 -11.44 -16.26 -50.10 -13.47 -16.66 -50.69 -12.45 -16.46 -50.40 3 0 12.00 -999 ? NI NI B 305 >TRP^B 181 -8.35 -10.18 -50.01 -8.71 -11.53 -53.69 -8.53 -10.85 -51.85 3 0 6.22 -999 ? NI NI B 305 >GLU^B 182 -8.28 -12.45 -43.83 -7.77 -12.67 -41.79 -8.03 -12.56 -42.81 2 0 15.43 -999 ? NI NI B 305 >SER.B 183 -10.52 -7.57 -46.92 -12.88 -7.91 -47.22 -11.70 -7.74 -47.07 2 0 9.15 -999 ? NI NI B 305 >TRP.B 184 -8.16 -7.40 -42.41 -4.62 -9.04 -42.90 -6.39 -8.22 -42.66 3 0 13.50 -999 ? NI NI B 305 >LEU.B 185 -5.18 -8.78 -47.78 -3.39 -10.02 -47.93 -4.28 -9.40 -47.85 3 0 10.00 -999 ? NI NI B 305 >ARG^B 186 -0.49 -2.47 -50.17 -2.28 -0.14 -49.29 -1.38 -1.30 -49.73 2 0 11.32 -999 ? NI NI B 305 >HIS^B 187 -5.88 -7.37 -53.55 -7.83 -6.62 -53.76 -6.86 -6.99 -53.65 3 0 -3.54 -999 ? NI NI B 305s >GLU^B 188 -0.95 -4.07 -57.64 0.90 -3.17 -57.13 -0.02 -3.62 -57.38 2 0 11.04 -999 ? NI NI B 305 >VAL^B 189 -3.55 -7.32 -60.24 -5.56 -7.94 -60.87 -4.56 -7.63 -60.55 3 0 7.31 -999 ? NI NI B 305 >PRO.B 190 0.04 -9.37 -61.02 -0.94 -7.57 -61.95 -0.45 -8.47 -61.49 3 0 11.22 -999 ? NI NI B 305 >MET.B 191 -0.12 -6.52 -66.09 1.77 -4.15 -68.98 0.83 -5.33 -67.54 2 0 17.72 -999 ? NI NI B 305 >ASN.B 192 -3.09 -8.84 -69.12 -3.80 -10.60 -70.09 -3.45 -9.72 -69.61 2 0 16.32 -999 ? NI NI B 305 >MET.B 193 1.31 -10.20 -70.60 3.77 -8.50 -69.35 2.54 -9.35 -69.97 2 0 19.40 -999 ? NI NI B 305 >SER.B 194 -0.75 -12.31 -73.01 -2.71 -13.39 -72.05 -1.73 -12.85 -72.53 2 0 19.35 -999 ? NI NI B 305 >GLU.B 195 -0.96 -11.31 -77.84 -0.63 -11.36 -79.94 -0.80 -11.34 -78.89 2 0 -26.54 -999 ? NI NI B 305s >ASP.B 196 -6.32 -14.10 -75.13 -6.62 -14.73 -77.14 -6.47 -14.42 -76.13 2 0 23.47 -999 ? NI NI B 305 >ASP.B 197 -9.89 -11.06 -72.57 -10.14 -9.55 -74.03 -10.02 -10.31 -73.30 2 0 18.81 -999 ? NI NI B 305 >ARG^B 198 -6.07 -11.42 -65.42 -3.04 -11.97 -65.24 -4.55 -11.70 -65.33 2 0 13.15 -999 ? NI NI B 305 >ILE^B 199 -12.96 -13.26 -68.21 -13.86 -13.32 -69.21 -13.41 -13.29 -68.71 3 0 15.49 -999 ? NI NI B 305 >SER^B 200 -12.57 -12.65 -63.59 -11.16 -10.79 -62.91 -11.86 -11.72 -63.25 2 0 8.90 -999 ? NI NI B 305 >VAL^B 201 -15.45 -12.02 -61.20 -17.51 -12.72 -61.60 -16.48 -12.37 -61.40 3 0 11.01 -999 ? NI NI B 305 >SER^B 202 -14.59 -10.21 -57.96 -12.31 -9.58 -58.46 -13.45 -9.89 -58.21 2 0 5.31 -999 ? NI NI B 305 >PHE^B 203 -16.76 -12.27 -54.75 -15.23 -14.58 -54.58 -16.00 -13.42 -54.67 3 0 9.81 -999 ? NI NI B 305 >ASN^B 204 -16.94 -6.91 -51.06 -15.11 -5.98 -51.62 -16.02 -6.45 -51.34 2 0 6.73 -999 ? NI NI B 305 >TYR^B 205 -18.96 -12.49 -48.86 -20.25 -14.29 -50.57 -19.60 -13.39 -49.71 3 0 13.71 -999 ? NI NI B 305 >ARG^B 206 -22.75 -5.44 -45.58 -21.53 -3.48 -43.51 -22.14 -4.46 -44.55 2 0 17.11 -999 ? NI NI B 305 >TRP.B 207 -20.87 -11.01 -39.41 -19.26 -9.54 -36.14 -20.07 -10.27 -37.78 3 0 10.18 -999 ? CA CA B 303 >ALA.B 208 -23.52 -6.90 -39.82 -23.13 -5.57 -39.16 -23.32 -6.23 -39.49 2 0 14.58 -999 ? CA CA B 303