REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 15-JAN-08 3BY7 COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D, E; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED MARINE ORGANISM; SOURCE 3 ORGANISM_TAXID: 360281; SOURCE 4 GENE: SYNTHETIC GENE: THE GENE PRODUCT WAS BASED ON SOURCE 5 JCVI_PEP_1096686650277 FROM THE SORCERER II GLOBAL OCEAN SAMPLING SOURCE 6 EXPERIMENT; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 7 8 HET MSE A 37 8 HET MSE B 7 8 HET MSE B 37 8 HET MSE C 7 8 HET MSE C 37 8 HET MSE D 7 8 HET MSE D 37 8 HET MSE E 7 8 HET MSE E 37 8 >ASN.A 3 -71.41 45.86 0.90 -71.79 43.75 0.71 -71.60 44.80 0.81 2 0 1000.00 -999 ? >ILE^A 4 -74.35 45.92 6.32 -73.52 46.48 7.32 -73.94 46.20 6.82 3 0 1000.00 -999 ? >ILE^A 6 -73.87 38.25 9.20 -74.66 38.18 10.43 -74.26 38.22 9.81 3 0 1000.00 -999 ? >MET?A 7 -69.63 36.50 8.36 -66.52 38.88 7.01 -68.07 37.69 7.68 2 0 1000.00 -999 ? >ARG^A 8 -71.32 31.15 12.39 -74.37 30.51 12.32 -72.84 30.83 12.35 2 0 1000.00 -999 ? >LEU^A 9 -64.93 33.81 12.04 -64.50 35.81 11.27 -64.72 34.81 11.65 3 0 1000.00 -999 ? >VAL.A 10 -63.95 29.59 11.34 -62.04 28.75 10.62 -63.00 29.17 10.98 3 0 1000.00 -999 ? >THR.A 11 -63.40 30.39 15.04 -62.38 32.30 15.10 -62.89 31.35 15.07 2 0 1000.00 -999 ? >GLY.A 12 -67.22 30.16 15.56 -66.97 30.87 15.30 -67.10 30.52 15.43 1 0 1000.00 -999 ? >GLU.A 13 -65.74 34.44 16.86 -64.19 35.88 16.77 -64.96 35.16 16.81 2 0 1000.00 -999 ? >ASP^A 14 -72.10 35.75 14.13 -72.82 33.82 13.75 -72.46 34.78 13.94 2 0 1000.00 -999 ? >ILE^A 15 -67.84 39.33 12.16 -67.14 39.78 13.33 -67.49 39.56 12.75 3 0 1000.00 -999 ? >ILE^A 16 -72.68 42.43 11.68 -73.79 43.24 11.98 -73.23 42.84 11.83 3 0 1000.00 -999 ? >GLY^A 17 -69.63 44.90 9.16 -70.09 44.50 8.63 -69.86 44.70 8.90 1 0 1000.00 -999 ? >ASN^A 18 -68.88 48.35 5.91 -69.27 49.26 4.03 -69.07 48.80 4.97 2 0 1000.00 -999 ? >ILE^A 19 -68.18 42.90 3.61 -67.34 41.61 3.96 -67.76 42.25 3.79 3 0 1000.00 -999 ? >SER^A 20 -65.48 44.58 0.45 -63.91 46.33 1.01 -64.69 45.46 0.73 2 0 1000.00 -999 ? >GLU^A 21 -65.68 39.87 -0.58 -66.51 37.97 -1.07 -66.09 38.92 -0.82 2 0 1000.00 -999 ? >SER^A 22 -60.71 42.52 -3.24 -58.90 44.04 -3.84 -59.80 43.28 -3.54 2 0 1000.00 -999 ? >GLN.A 23 -56.42 41.70 -3.25 -55.72 42.69 -5.00 -56.07 42.19 -4.13 2 0 1000.00 -999 ? >GLY.A 24 -58.78 36.80 -2.04 -58.51 37.53 -1.72 -58.65 37.17 -1.88 1 0 1000.00 -999 ? >LEU^A 25 -57.96 40.05 1.21 -55.98 39.32 1.67 -56.97 39.69 1.44 3 0 1000.00 -999 ? >ILE^A 26 -63.04 39.63 3.54 -64.18 38.85 3.64 -63.61 39.24 3.59 3 0 1000.00 -999 ? >THR^A 27 -61.73 44.09 4.24 -60.48 45.74 3.67 -61.10 44.91 3.95 2 0 1000.00 -999 ? >ILE^A 28 -64.28 43.89 8.23 -65.11 42.68 8.71 -64.70 43.28 8.47 3 0 1000.00 -999 ? >ALA^A 31 -66.87 45.27 12.67 -65.63 44.42 12.43 -66.25 44.85 12.55 2 0 1000.00 -999 ? >PHE^A 32 -70.14 46.15 16.16 -69.72 48.82 16.81 -69.93 47.48 16.48 3 0 1000.00 -999 ? >VAL^A 33 -69.49 40.50 17.07 -67.97 39.29 18.05 -68.73 39.90 17.56 3 0 1000.00 -999 ? >ILE^A 34 -73.96 38.79 16.37 -74.92 38.84 15.42 -74.44 38.82 15.90 3 0 1000.00 -999 ? >ILE^A 35 -72.61 38.46 22.23 -71.64 38.79 22.95 -72.12 38.62 22.59 3 0 1000.00 -999 ? >PRO^A 36 -76.04 34.38 20.61 -76.13 36.42 21.52 -76.08 35.40 21.07 3 0 1000.00 -999 ? >MET?A 37 -78.17 35.62 25.26 -76.75 39.44 26.85 -77.46 37.53 26.05 2 0 1000.00 -999 ? >PRO^A 44 -88.57 36.75 24.79 -87.42 35.34 23.45 -87.99 36.05 24.12 3 0 1000.00 -999 ? >VAL^A 45 -83.48 35.98 22.27 -82.03 35.12 20.85 -82.75 35.55 21.56 3 0 1000.00 -999 ? >GLN^A 46 -80.81 41.31 24.01 -82.01 43.02 24.45 -81.41 42.17 24.23 2 0 1000.00 -999 ? >LEU^A 47 -78.83 40.08 18.83 -79.40 38.42 17.54 -79.12 39.25 18.18 3 0 1000.00 -999 ? >VAL^A 48 -75.86 42.28 21.46 -75.72 42.58 23.58 -75.79 42.43 22.52 3 0 1000.00 -999 ? >LEU^A 49 -73.74 44.87 18.00 -74.87 44.20 16.28 -74.30 44.54 17.14 3 0 1000.00 -999 ? >SER^A 50 -69.90 44.48 20.59 -68.13 43.75 22.01 -69.02 44.11 21.30 2 0 1000.00 -999 ? >PRO^A 51 -66.94 47.65 20.16 -67.31 45.63 19.26 -67.12 46.64 19.71 3 0 1000.00 -999 ? >TRP^A 52 -64.24 40.01 16.12 -62.38 40.07 12.67 -63.31 40.04 14.39 3 0 1000.00 -999 ? >GLN^A 53 -60.73 42.88 15.46 -59.26 41.32 15.30 -59.99 42.10 15.38 2 0 1000.00 -999 ? >PRO^A 54 -61.65 43.82 22.18 -61.36 45.32 20.53 -61.51 44.57 21.35 3 0 1000.00 -999 ? >TYR^A 55 -57.25 43.61 22.35 -58.18 41.74 24.22 -57.72 42.68 23.29 3 0 1000.00 -999 ? >THR^A 56 -57.08 48.13 18.14 -57.24 47.38 16.15 -57.16 47.75 17.15 2 0 1000.00 -999 ? >ASP^A 57 -57.39 52.81 17.12 -57.36 53.16 19.22 -57.37 52.98 18.17 2 0 1000.00 -999 ? >ASP^A 58 -57.16 48.96 12.69 -55.03 49.06 12.79 -56.09 49.01 12.74 2 0 1000.00 -999 ? >ILE^A 61 -60.12 44.35 10.38 -60.25 43.99 11.66 -60.19 44.17 11.02 3 0 1000.00 -999 ? >VAL^A 62 -58.33 42.30 6.58 -57.14 42.86 4.86 -57.73 42.58 5.72 3 0 1000.00 -999 ? >ILE^A 63 -60.39 38.01 7.51 -61.60 38.11 8.35 -60.99 38.06 7.93 3 0 1000.00 -999 ? >ASP^A 64 -57.22 34.89 4.25 -57.16 33.62 2.57 -57.19 34.25 3.41 2 0 1000.00 -999 ? >ASP^A 65 -62.26 34.70 1.53 -61.25 33.74 -0.06 -61.76 34.22 0.74 2 0 1000.00 -999 ? >SER^A 66 -60.55 30.91 3.87 -58.22 30.88 4.45 -59.39 30.89 4.16 2 0 1000.00 -999 ? >LYS^A 67 -61.20 31.93 7.51 -55.92 31.89 7.90 -58.56 31.91 7.70 2 0 1000.00 -999 ? >VAL^A 68 -64.87 32.65 6.71 -65.59 34.65 6.22 -65.23 33.65 6.47 3 0 1000.00 -999 ? >ILE^A 69 -67.93 29.00 7.80 -67.92 27.84 8.63 -67.93 28.42 8.21 3 0 1000.00 -999 ? >THR^A 70 -70.35 31.94 5.30 -71.85 30.92 6.43 -71.10 31.43 5.86 2 0 1000.00 -999 ? >ILE^A 71 -70.28 36.27 3.30 -69.23 37.31 3.13 -69.76 36.79 3.22 3 0 1000.00 -999 ? >THR^A 72 -74.82 36.27 4.53 -75.66 35.24 6.27 -75.24 35.76 5.40 2 0 1000.00 -999 ? >SER^A 73 -77.08 39.37 4.41 -78.28 38.72 2.45 -77.68 39.04 3.43 2 0 1000.00 -999 ? >PRO^A 74 -77.29 42.27 7.59 -78.27 40.31 7.15 -77.78 41.29 7.37 3 0 1000.00 -999 ? >LYS^A 75 -82.33 40.56 8.72 -85.07 35.29 10.99 -83.70 37.92 9.85 2 0 1000.00 -999 ? >ASP^A 77 -84.74 43.40 13.50 -86.83 44.00 13.69 -85.79 43.70 13.59 2 0 1000.00 -999 ? >ILE^A 78 -79.44 42.19 12.41 -78.64 40.97 12.90 -79.04 41.58 12.65 3 0 1000.00 -999 ? >ILE^A 79 -79.68 46.31 8.68 -79.65 46.23 7.29 -79.66 46.27 7.99 3 0 1000.00 -999 ? >SER^A 81 -79.35 48.13 15.24 -79.52 45.70 15.34 -79.43 46.91 15.29 2 0 1000.00 -999 ? >TYR^A 82 -74.31 47.36 11.70 -71.75 47.87 10.77 -73.03 47.62 11.23 3 0 1000.00 -999 ? >SER^A 84 -77.68 52.89 15.06 -78.92 51.30 16.41 -78.30 52.09 15.74 2 0 1000.00 -999 ? >HIS^A 85 -74.30 49.36 17.97 -74.80 48.44 19.79 -74.55 48.90 18.88 3 0 1000.00 -999 ? >THR^A 86 -72.60 53.84 14.08 -71.48 52.08 13.42 -72.04 52.96 13.75 2 0 1000.00 -999 ? >ASN^B 3 -43.03 45.58 12.93 -44.76 45.61 11.67 -43.89 45.59 12.30 2 0 1000.00 -999 ? >ILE^B 4 -45.54 46.38 18.50 -44.70 45.59 19.34 -45.12 45.99 18.92 3 0 1000.00 -999 ? >LYS^B 5 -48.77 43.97 16.01 -49.31 47.38 11.61 -49.04 45.67 13.81 2 0 1000.00 -999 ? >ILE^B 6 -52.78 42.38 18.19 -53.53 42.62 19.43 -53.15 42.50 18.81 3 0 1000.00 -999 ? >MET?B 7 -52.26 38.50 15.73 -48.56 37.14 14.36 -50.41 37.82 15.05 2 0 1000.00 -999 ? >ARG^B 8 -59.26 36.76 16.89 -61.18 38.67 18.34 -60.22 37.72 17.61 2 0 1000.00 -999 ? >LEU^B 9 -53.49 32.19 16.74 -51.39 32.71 16.67 -52.44 32.45 16.70 3 0 1000.00 -999 ? >VAL^B 10 -56.58 30.20 14.40 -56.31 28.63 12.85 -56.45 29.42 13.63 3 0 1000.00 -999 ? >THR^B 11 -56.56 28.59 17.88 -54.50 28.05 18.37 -55.53 28.32 18.13 2 0 1000.00 -999 ? >GLY^B 12 -58.48 31.62 19.30 -57.69 31.72 19.25 -58.09 31.67 19.28 1 0 1000.00 -999 ? >GLU^B 13 -54.22 31.32 21.16 -52.42 30.43 21.74 -53.32 30.87 21.45 2 0 1000.00 -999 ? >ASP^B 14 -55.33 38.22 21.09 -57.16 38.40 20.03 -56.25 38.31 20.56 2 0 1000.00 -999 ? >ILE^B 15 -49.93 36.43 19.66 -49.18 35.73 20.66 -49.55 36.08 20.16 3 0 1000.00 -999 ? >ILE^B 16 -49.06 41.62 21.70 -48.88 42.68 22.57 -48.97 42.15 22.14 3 0 1000.00 -999 ? >GLY^B 17 -45.08 40.92 19.45 -45.52 41.38 18.96 -45.30 41.15 19.20 1 0 1000.00 -999 ? >ASN^B 18 -41.01 42.51 17.58 -39.80 43.58 16.24 -40.41 43.05 16.91 2 0 1000.00 -999 ? >ILE^B 19 -45.01 41.10 13.35 -45.48 39.74 13.35 -45.25 40.42 13.35 3 0 1000.00 -999 ? >SER^B 20 -41.67 40.48 10.39 -39.69 39.29 9.77 -40.68 39.89 10.08 2 0 1000.00 -999 ? >GLU^B 21 -45.76 39.46 7.76 -47.27 40.88 7.19 -46.52 40.17 7.48 2 0 1000.00 -999 ? >GLN^B 23 -39.47 33.24 3.72 -37.89 34.30 2.71 -38.68 33.77 3.21 2 0 1000.00 -999 ? >GLY^B 24 -45.12 33.15 3.60 -44.45 33.04 4.08 -44.78 33.09 3.84 1 0 1000.00 -999 ? >LEU^B 25 -42.71 32.28 7.52 -42.26 30.21 7.36 -42.49 31.24 7.44 3 0 1000.00 -999 ? >ILE^B 26 -45.64 35.74 10.79 -46.76 36.74 10.89 -46.20 36.24 10.84 3 0 1000.00 -999 ? >THR^B 27 -41.33 35.67 12.57 -39.29 35.31 12.04 -40.31 35.49 12.31 2 0 1000.00 -999 ? >ILE^B 28 -43.55 36.31 16.69 -44.98 36.14 16.77 -44.26 36.22 16.73 3 0 1000.00 -999 ? >ALA^B 31 -44.39 37.28 21.93 -44.62 36.07 21.06 -44.51 36.67 21.50 2 0 1000.00 -999 ? >PHE^B 32 -45.67 38.94 26.26 -43.25 38.96 27.62 -44.46 38.95 26.94 3 0 1000.00 -999 ? >VAL^B 33 -50.66 36.33 24.87 -51.16 34.25 24.95 -50.91 35.29 24.91 3 0 1000.00 -999 ? >ILE^B 34 -53.84 39.96 24.83 -53.89 41.21 24.23 -53.87 40.58 24.53 3 0 1000.00 -999 ? >ILE^B 35 -54.87 36.51 29.69 -54.42 35.42 30.37 -54.64 35.97 30.03 3 0 1000.00 -999 ? >PRO^B 36 -59.68 38.34 27.73 -58.06 38.99 29.14 -58.87 38.67 28.44 3 0 1000.00 -999 ? >MET?B 37 -60.52 39.13 32.72 -57.00 39.04 34.83 -58.76 39.09 33.78 2 0 1000.00 -999 ? >PRO^B 44 -64.16 48.21 35.24 -64.53 47.35 33.15 -64.34 47.78 34.19 3 0 1000.00 -999 ? >VAL^B 45 -61.87 45.81 30.11 -62.18 45.89 27.90 -62.02 45.85 29.00 3 0 1000.00 -999 ? >GLN^B 46 -59.72 45.24 34.00 -58.75 45.82 35.80 -59.23 45.53 34.90 2 0 1000.00 -999 ? >LEU^B 47 -55.50 43.39 28.77 -57.19 43.37 27.41 -56.34 43.38 28.09 3 0 1000.00 -999 ? >VAL^B 48 -52.77 40.71 31.14 -52.56 39.59 33.00 -52.67 40.15 32.07 3 0 1000.00 -999 ? >LEU^B 49 -48.78 41.07 28.48 -49.30 42.35 26.80 -49.04 41.71 27.64 3 0 1000.00 -999 ? >SER^B 50 -48.11 36.61 29.57 -48.19 34.38 30.41 -48.15 35.50 29.99 2 0 1000.00 -999 ? >PRO^B 51 -43.96 35.22 29.50 -45.72 35.22 28.11 -44.84 35.22 28.80 3 0 1000.00 -999 ? >TRP^B 52 -48.85 31.99 22.59 -47.34 31.66 18.99 -48.10 31.83 20.79 3 0 1000.00 -999 ? >GLN^B 53 -44.57 29.91 21.98 -45.58 28.11 21.44 -45.07 29.01 21.71 2 0 1000.00 -999 ? >PRO^B 54 -45.54 28.73 28.64 -43.77 29.52 27.56 -44.66 29.13 28.10 3 0 1000.00 -999 ? >TYR^B 55 -43.90 24.68 27.71 -46.33 24.29 29.01 -45.12 24.49 28.36 3 0 1000.00 -999 ? >THR^B 56 -38.97 27.60 25.28 -39.22 28.30 23.25 -39.10 27.95 24.26 2 0 1000.00 -999 ? >ASP^B 57 -34.67 29.66 25.96 -34.50 29.48 28.09 -34.58 29.57 27.03 2 0 1000.00 -999 ? >ASP^B 58 -36.99 30.03 20.69 -36.21 28.07 20.45 -36.60 29.05 20.57 2 0 1000.00 -999 ? >GLU^B 60 -36.18 35.68 16.24 -35.03 36.09 14.53 -35.60 35.88 15.38 2 0 1000.00 -999 ? >ILE^B 61 -41.99 32.07 17.68 -42.77 31.48 18.75 -42.38 31.78 18.22 3 0 1000.00 -999 ? >VAL^B 62 -42.00 31.22 13.17 -40.63 30.87 11.49 -41.31 31.04 12.33 3 0 1000.00 -999 ? >ILE^B 63 -46.75 31.22 13.11 -47.27 32.02 14.15 -47.01 31.62 13.63 3 0 1000.00 -999 ? >ASP^B 64 -47.63 28.79 8.21 -48.06 28.90 6.15 -47.85 28.84 7.18 2 0 1000.00 -999 ? >ASP^B 65 -49.22 34.13 6.99 -49.34 33.54 4.97 -49.28 33.84 5.98 2 0 1000.00 -999 ? >SER^B 66 -52.32 30.52 7.26 -51.37 28.29 7.25 -51.85 29.41 7.26 2 0 1000.00 -999 ? >LYS^B 67 -52.60 30.07 11.07 -49.63 25.64 10.34 -51.11 27.85 10.70 2 0 1000.00 -999 ? >VAL^B 68 -53.37 33.77 11.59 -51.85 35.23 12.00 -52.61 34.50 11.79 3 0 1000.00 -999 ? >ILE^B 69 -58.08 35.03 12.05 -59.03 34.44 12.55 -58.55 34.74 12.30 3 0 1000.00 -999 ? >THR^B 70 -56.01 38.94 11.52 -57.90 39.52 12.44 -56.96 39.23 11.98 2 0 1000.00 -999 ? >ILE^B 71 -51.69 41.04 11.08 -50.27 40.65 10.86 -50.98 40.85 10.97 3 0 1000.00 -999 ? >THR^B 72 -53.81 44.41 13.59 -55.37 44.17 15.09 -54.59 44.29 14.34 2 0 1000.00 -999 ? >SER^B 73 -51.99 47.39 15.18 -52.50 49.22 13.65 -52.25 48.31 14.42 2 0 1000.00 -999 ? >PRO^B 74 -50.31 47.35 19.25 -52.30 47.69 18.30 -51.30 47.52 18.77 3 0 1000.00 -999 ? >ASP^B 76 -51.73 54.54 22.55 -50.75 55.51 20.93 -51.24 55.02 21.74 2 0 1000.00 -999 ? >ASP^B 77 -53.26 52.00 26.99 -53.58 54.08 27.45 -53.42 53.04 27.22 2 0 1000.00 -999 ? >ILE^B 78 -52.34 47.27 24.03 -53.25 46.11 23.84 -52.80 46.69 23.93 3 0 1000.00 -999 ? >ILE^B 79 -47.83 50.06 22.02 -47.78 50.44 20.59 -47.80 50.25 21.31 3 0 1000.00 -999 ? >SER^B 81 -47.62 48.05 28.57 -48.59 46.06 29.51 -48.10 47.06 29.04 2 0 1000.00 -999 ? >TYR^B 82 -45.45 44.62 23.78 -43.60 42.97 22.52 -44.53 43.79 23.15 3 0 1000.00 -999 ? >GLU^B 83 -42.96 49.41 23.72 -43.18 51.31 22.83 -43.07 50.36 23.28 2 0 1000.00 -999 ? >SER^B 84 -42.69 48.21 29.61 -43.47 50.43 30.12 -43.08 49.32 29.87 2 0 1000.00 -999 ? >HIS^B 85 -44.80 42.59 30.18 -45.62 41.13 31.43 -45.21 41.86 30.81 3 0 1000.00 -999 ? >THR^B 86 -40.10 44.11 27.33 -40.25 43.46 25.28 -40.18 43.79 26.31 2 0 1000.00 -999 ? >SER^B 87 -36.57 45.11 28.45 -37.53 47.17 29.39 -37.05 46.14 28.92 2 0 1000.00 -999 ? >ASN^C 3 -79.92 16.52 -3.07 -78.29 15.30 -2.43 -79.10 15.91 -2.75 2 0 1000.00 -999 ? >ILE^C 4 -82.60 16.06 2.42 -83.08 17.41 2.59 -82.84 16.73 2.50 3 0 1000.00 -999 ? >ILE^C 6 -76.34 15.03 7.83 -76.70 14.65 9.16 -76.52 14.84 8.49 3 0 1000.00 -999 ? >MET?C 7 -73.02 17.98 6.79 -73.57 20.85 3.81 -73.30 19.42 5.30 2 0 1000.00 -999 ? >LEU^C 9 -69.76 22.64 9.92 -71.21 23.33 8.43 -70.48 22.98 9.17 3 0 1000.00 -999 ? >VAL^C 10 -65.51 21.99 10.76 -63.82 23.12 10.04 -64.67 22.55 10.40 3 0 1000.00 -999 ? >THR^C 11 -66.97 24.13 13.57 -67.96 25.81 12.57 -67.47 24.97 13.07 2 0 1000.00 -999 ? >GLY^C 12 -68.51 20.91 15.05 -68.95 21.25 14.49 -68.73 21.08 14.77 1 0 1000.00 -999 ? >GLU^C 13 -72.45 23.89 14.55 -72.35 25.62 13.35 -72.40 24.75 13.95 2 0 1000.00 -999 ? >ASP^C 14 -74.91 17.70 12.80 -73.34 16.38 13.29 -74.12 17.04 13.04 2 0 1000.00 -999 ? >ILE^C 15 -75.68 21.83 8.67 -76.38 22.94 9.09 -76.03 22.39 8.88 3 0 1000.00 -999 ? >ILE^C 16 -80.41 18.36 8.10 -81.76 17.85 8.29 -81.09 18.11 8.20 3 0 1000.00 -999 ? >GLY^C 17 -80.64 20.74 4.16 -80.30 20.03 3.97 -80.47 20.38 4.06 1 0 1000.00 -999 ? >ASN^C 18 -82.33 21.28 -0.24 -82.77 20.62 -2.20 -82.55 20.95 -1.22 2 0 1000.00 -999 ? >ILE^C 19 -76.72 19.35 -0.24 -75.62 20.14 0.32 -76.17 19.75 0.04 3 0 1000.00 -999 ? >SER^C 20 -76.14 21.01 -4.44 -76.35 22.95 -5.93 -76.24 21.98 -5.18 2 0 1000.00 -999 ? >GLU^C 21 -72.04 18.86 -3.51 -70.71 17.31 -2.88 -71.38 18.09 -3.20 2 0 1000.00 -999 ? >SER^C 22 -71.29 23.12 -8.05 -71.91 24.10 -10.17 -71.60 23.61 -9.11 2 0 1000.00 -999 ? >GLN^C 23 -65.94 26.08 -9.09 -65.35 25.68 -11.15 -65.65 25.88 -10.12 2 0 1000.00 -999 ? >GLY^C 24 -65.89 23.58 -5.20 -66.50 24.14 -5.26 -66.19 23.86 -5.23 1 0 1000.00 -999 ? >LEU^C 25 -69.25 26.48 -3.77 -67.98 28.23 -3.69 -68.61 27.36 -3.73 3 0 1000.00 -999 ? >ILE^C 26 -71.80 22.83 -0.33 -71.71 21.61 0.42 -71.76 22.22 0.05 3 0 1000.00 -999 ? >THR^C 27 -75.19 25.59 -1.89 -75.89 26.88 -3.50 -75.54 26.24 -2.69 2 0 1000.00 -999 ? >ILE^C 28 -77.08 24.69 2.32 -76.48 23.68 3.31 -76.78 24.18 2.82 3 0 1000.00 -999 ? >ALA^C 31 -80.72 24.63 6.40 -79.37 25.34 6.19 -80.04 24.99 6.30 2 0 1000.00 -999 ? >PHE^C 32 -83.78 23.35 9.87 -86.06 24.76 9.18 -84.92 24.05 9.53 3 0 1000.00 -999 ? >VAL^C 33 -78.86 22.59 12.87 -77.59 24.09 13.96 -78.22 23.34 13.42 3 0 1000.00 -999 ? >ILE^C 34 -79.12 17.89 14.02 -79.44 16.66 13.38 -79.28 17.27 13.70 3 0 1000.00 -999 ? >ILE^C 35 -79.81 21.16 18.99 -79.22 22.35 19.88 -79.51 21.75 19.43 3 0 1000.00 -999 ? >PRO^C 36 -77.23 16.38 20.12 -79.30 17.25 20.05 -78.27 16.82 20.08 3 0 1000.00 -999 ? >MET?C 37 -80.48 16.64 24.19 -83.68 19.47 23.74 -82.08 18.05 23.96 2 0 1000.00 -999 ? >ALA^C 39 -82.38 14.25 30.88 -83.56 15.17 31.08 -82.97 14.71 30.98 2 0 1000.00 -999 ? >PRO^C 44 -85.96 8.85 26.57 -84.02 8.27 25.57 -84.99 8.56 26.07 3 0 1000.00 -999 ? >VAL^C 45 -82.01 11.10 23.20 -79.82 11.25 22.98 -80.92 11.17 23.09 3 0 1000.00 -999 ? >GLN^C 46 -86.32 15.03 21.05 -87.85 16.09 22.08 -87.09 15.56 21.57 2 0 1000.00 -999 ? >LEU^C 47 -82.76 14.97 16.93 -81.32 13.33 16.78 -82.04 14.15 16.85 3 0 1000.00 -999 ? >VAL^C 48 -84.24 19.22 17.59 -85.02 20.39 19.19 -84.63 19.80 18.39 3 0 1000.00 -999 ? >LEU^C 49 -84.63 20.47 13.00 -84.24 18.42 12.30 -84.43 19.45 12.65 3 0 1000.00 -999 ? >SER^C 50 -83.43 24.75 14.48 -82.43 26.58 15.65 -82.93 25.67 15.06 2 0 1000.00 -999 ? >PRO^C 51 -84.80 28.18 12.16 -82.98 26.88 12.21 -83.89 27.53 12.18 3 0 1000.00 -999 ? >TRP^C 52 -75.98 26.56 10.93 -74.32 26.77 7.36 -75.15 26.67 9.14 3 0 1000.00 -999 ? >GLN^C 53 -76.78 30.26 8.36 -74.73 30.95 8.37 -75.75 30.61 8.37 2 0 1000.00 -999 ? >PRO^C 54 -79.90 32.29 14.10 -80.58 32.44 11.97 -80.24 32.36 13.03 3 0 1000.00 -999 ? >TYR^C 55 -77.87 36.27 13.30 -77.10 35.58 15.90 -77.48 35.93 14.60 3 0 1000.00 -999 ? >THR^C 56 -80.56 36.13 7.68 -79.44 35.08 6.15 -80.00 35.61 6.92 2 0 1000.00 -999 ? >ASP^C 57 -84.45 36.88 4.97 -85.67 37.43 6.59 -85.06 37.16 5.78 2 0 1000.00 -999 ? >ASP^C 58 -79.83 34.21 2.47 -78.95 36.14 2.45 -79.39 35.17 2.46 2 0 1000.00 -999 ? >GLU^C 60 -79.93 29.42 -2.89 -79.08 29.53 -4.84 -79.51 29.48 -3.86 2 0 1000.00 -999 ? >ILE^C 61 -76.26 29.39 3.11 -76.26 29.73 4.49 -76.26 29.56 3.80 3 0 1000.00 -999 ? >VAL^C 62 -72.83 28.93 0.08 -72.42 29.59 -1.96 -72.63 29.26 -0.94 3 0 1000.00 -999 ? >ILE^C 63 -70.40 26.16 3.11 -71.42 25.35 3.90 -70.91 25.75 3.50 3 0 1000.00 -999 ? >ASP^C 64 -65.33 26.83 0.85 -63.70 26.05 -0.24 -64.51 26.44 0.30 2 0 1000.00 -999 ? >ASP^C 65 -66.59 21.20 -0.33 -65.11 21.26 -1.84 -65.85 21.23 -1.09 2 0 1000.00 -999 ? >SER^C 66 -63.17 22.56 2.78 -62.47 24.88 2.62 -62.82 23.72 2.70 2 0 1000.00 -999 ? >LYS^C 67 -65.33 23.60 5.79 -63.51 28.53 4.59 -64.42 26.06 5.19 2 0 1000.00 -999 ? >VAL^C 68 -67.27 20.31 5.72 -69.17 20.06 4.75 -68.22 20.18 5.23 3 0 1000.00 -999 ? >ILE^C 69 -65.79 16.88 8.87 -65.02 16.65 10.13 -65.40 16.76 9.50 3 0 1000.00 -999 ? >THR^C 70 -68.53 14.72 6.13 -68.38 13.53 7.92 -68.45 14.13 7.02 2 0 1000.00 -999 ? >ILE^C 71 -71.47 15.32 2.49 -71.54 16.27 1.62 -71.51 15.79 2.06 3 0 1000.00 -999 ? >THR^C 72 -73.97 11.89 4.78 -73.96 11.04 6.80 -73.97 11.46 5.78 2 0 1000.00 -999 ? >SER^C 73 -77.55 10.83 3.98 -76.89 8.86 2.83 -77.22 9.85 3.40 2 0 1000.00 -999 ? >PRO^C 74 -81.10 12.61 5.70 -79.61 11.08 6.33 -80.36 11.85 6.02 3 0 1000.00 -999 ? >ASP^C 77 -86.62 9.00 12.35 -88.22 7.83 13.20 -87.42 8.41 12.77 2 0 1000.00 -999 ? >ILE^C 78 -83.18 12.59 10.42 -81.89 13.01 11.13 -82.54 12.80 10.77 3 0 1000.00 -999 ? >ILE^C 79 -85.87 12.18 5.65 -85.49 11.95 4.21 -85.68 12.07 4.93 3 0 1000.00 -999 ? >SER^C 81 -89.08 15.56 10.61 -86.95 14.92 11.54 -88.01 15.24 11.07 2 0 1000.00 -999 ? >TYR^C 82 -85.30 18.44 6.55 -84.53 20.40 4.76 -84.92 19.42 5.66 3 0 1000.00 -999 ? >SER^C 84 -92.42 18.41 8.16 -91.84 17.62 10.38 -92.13 18.01 9.27 2 0 1000.00 -999 ? >HIS^C 85 -88.74 21.48 11.44 -88.57 21.65 13.52 -88.65 21.57 12.48 3 0 1000.00 -999 ? >THR^C 86 -90.11 23.06 5.99 -88.30 22.26 5.10 -89.21 22.66 5.54 2 0 1000.00 -999 ? >SER^C 87 -93.84 23.25 5.30 -95.76 21.78 4.99 -94.80 22.52 5.15 2 0 1000.00 -999 ? >ASN^D 3 -34.06 16.75 16.54 -34.79 18.73 16.16 -34.42 17.74 16.35 2 0 1000.00 -999 ? >ILE^D 4 -35.91 16.97 22.37 -36.56 15.73 22.61 -36.23 16.35 22.49 3 0 1000.00 -999 ? >LYS^D 5 -38.70 20.01 20.10 -34.75 23.05 17.56 -36.72 21.53 18.83 2 0 1000.00 -999 ? >ILE^D 6 -42.21 22.23 22.49 -42.67 22.53 23.84 -42.44 22.38 23.16 3 0 1000.00 -999 ? >MET?D 7 -44.95 21.39 18.73 -44.61 17.81 16.22 -44.78 19.60 17.47 2 0 1000.00 -999 ? >ARG^D 8 -49.93 25.41 21.24 -49.60 28.06 22.83 -49.76 26.73 22.03 2 0 1000.00 -999 ? >LEU^D 9 -51.27 20.23 17.80 -49.80 18.60 17.49 -50.53 19.41 17.64 3 0 1000.00 -999 ? >VAL^D 10 -53.69 23.21 15.75 -54.64 23.07 13.76 -54.17 23.14 14.76 3 0 1000.00 -999 ? >THR^D 11 -55.92 21.36 18.27 -55.53 19.21 18.08 -55.72 20.28 18.17 2 0 1000.00 -999 ? >GLY^D 12 -54.32 23.48 21.08 -53.92 22.82 20.88 -54.12 23.15 20.98 1 0 1000.00 -999 ? >GLU^D 13 -53.52 18.77 22.33 -53.49 17.11 21.01 -53.50 17.94 21.67 2 0 1000.00 -999 ? >ASP^D 14 -47.73 22.03 24.42 -48.12 24.09 24.10 -47.93 23.06 24.26 2 0 1000.00 -999 ? >ILE^D 15 -46.77 17.28 20.95 -47.47 16.16 21.46 -47.12 16.72 21.21 3 0 1000.00 -999 ? >ILE^D 16 -42.25 17.53 24.44 -41.46 17.53 25.55 -41.86 17.53 24.99 3 0 1000.00 -999 ? >GLY^D 17 -40.73 14.54 21.17 -40.39 15.25 21.00 -40.56 14.89 21.09 1 0 1000.00 -999 ? >ASN^D 18 -37.08 12.23 19.02 -35.05 12.35 18.38 -36.07 12.29 18.70 2 0 1000.00 -999 ? >ILE^D 19 -39.17 16.67 15.71 -40.51 16.50 15.41 -39.84 16.59 15.56 3 0 1000.00 -999 ? >SER^D 20 -37.60 14.73 12.00 -37.79 12.77 10.62 -37.69 13.75 11.31 2 0 1000.00 -999 ? >GLU^D 21 -39.42 18.86 10.52 -39.64 21.00 10.38 -39.53 19.93 10.45 2 0 1000.00 -999 ? >SER^D 22 -38.92 14.71 5.78 -37.64 12.87 4.76 -38.28 13.79 5.27 2 0 1000.00 -999 ? >GLN^D 23 -41.47 13.45 1.59 -40.44 11.91 2.65 -40.96 12.68 2.12 2 0 1000.00 -999 ? >GLY^D 24 -43.93 17.94 4.14 -43.85 17.15 4.38 -43.89 17.55 4.26 1 0 1000.00 -999 ? >LEU^D 25 -44.63 14.11 6.72 -46.42 13.35 5.77 -45.53 13.73 6.25 3 0 1000.00 -999 ? >ILE^D 26 -43.62 16.50 11.73 -43.39 17.66 12.62 -43.50 17.08 12.17 3 0 1000.00 -999 ? >THR^D 27 -42.24 12.12 12.20 -41.57 10.34 11.25 -41.90 11.23 11.73 2 0 1000.00 -999 ? >ILE^D 28 -43.60 12.75 16.68 -44.35 13.97 17.10 -43.98 13.36 16.89 3 0 1000.00 -999 ? >ALA^D 31 -44.25 11.90 21.95 -45.18 12.09 20.77 -44.71 11.99 21.36 2 0 1000.00 -999 ? >PHE^D 32 -44.27 12.06 26.77 -43.50 9.50 27.48 -43.88 10.78 27.13 3 0 1000.00 -999 ? >VAL^D 33 -48.32 16.04 25.87 -50.40 15.70 25.41 -49.36 15.87 25.64 3 0 1000.00 -999 ? >ILE^D 34 -46.36 19.97 27.89 -45.15 20.67 27.89 -45.76 20.32 27.89 3 0 1000.00 -999 ? >ILE^D 35 -51.01 18.04 31.21 -52.11 17.18 31.22 -51.56 17.61 31.21 3 0 1000.00 -999 ? >PRO^D 36 -50.76 23.55 31.39 -49.95 21.78 32.53 -50.35 22.66 31.96 3 0 1000.00 -999 ? >MET?D 37 -51.72 22.63 36.36 -51.99 18.36 37.01 -51.85 20.49 36.69 2 0 1000.00 -999 ? >GLN^D 38 -51.56 25.04 41.81 -50.26 23.49 42.53 -50.91 24.27 42.17 2 0 1000.00 -999 ? >GLY^D 42 -53.33 30.08 42.07 -53.23 29.61 42.73 -53.28 29.85 42.40 1 0 1000.00 -999 ? >PRO^D 44 -45.73 27.43 43.35 -47.36 27.58 41.81 -46.55 27.51 42.58 3 0 1000.00 -999 ? >VAL^D 45 -47.50 25.46 37.98 -47.71 26.98 36.39 -47.61 26.22 37.18 3 0 1000.00 -999 ? >LEU^D 47 -44.78 21.09 33.21 -44.76 23.16 32.43 -44.77 22.13 32.82 3 0 1000.00 -999 ? >VAL^D 48 -46.80 16.96 33.57 -48.19 15.78 34.75 -47.49 16.37 34.16 3 0 1000.00 -999 ? >LEU^D 49 -44.21 14.55 30.30 -42.86 16.07 29.51 -43.53 15.31 29.91 3 0 1000.00 -999 ? >SER^D 50 -48.14 12.15 29.53 -50.36 11.28 29.30 -49.25 11.72 29.42 2 0 1000.00 -999 ? >PRO^D 51 -47.64 8.12 27.95 -48.03 10.18 27.11 -47.83 9.15 27.53 3 0 1000.00 -999 ? >TRP^D 52 -50.85 13.89 21.55 -49.55 13.59 17.86 -50.20 13.74 19.70 3 0 1000.00 -999 ? >PRO^D 54 -53.94 7.84 25.15 -52.19 6.92 24.11 -53.06 7.38 24.63 3 0 1000.00 -999 ? >TYR^D 55 -56.56 5.58 22.36 -58.35 7.19 23.81 -57.46 6.39 23.08 3 0 1000.00 -999 ? >THR^D 56 -51.35 2.89 20.18 -50.43 3.75 18.42 -50.89 3.32 19.30 2 0 1000.00 -999 ? >ASP^D 58 -47.33 3.57 16.36 -48.64 2.32 15.23 -47.98 2.94 15.80 2 0 1000.00 -999 ? >ILE^D 61 -46.90 9.69 15.64 -47.80 9.90 16.61 -47.35 9.80 16.12 3 0 1000.00 -999 ? >VAL^D 62 -46.56 11.15 11.33 -45.79 10.50 9.40 -46.18 10.82 10.37 3 0 1000.00 -999 ? >ILE^D 63 -48.48 15.40 12.44 -48.18 15.83 13.70 -48.33 15.62 13.07 3 0 1000.00 -999 ? >ASP^D 64 -49.81 17.19 7.35 -49.25 18.36 5.66 -49.53 17.78 6.51 2 0 1000.00 -999 ? >ASP^D 65 -45.58 20.69 8.34 -46.03 21.42 6.36 -45.81 21.05 7.35 2 0 1000.00 -999 ? >SER^D 66 -50.06 22.08 8.35 -51.65 20.48 7.57 -50.85 21.28 7.96 2 0 1000.00 -999 ? >VAL^D 68 -48.59 22.46 13.65 -46.75 21.42 14.19 -47.67 21.94 13.92 3 0 1000.00 -999 ? >ILE^D 69 -49.61 26.80 15.64 -50.75 27.43 16.01 -50.18 27.12 15.83 3 0 1000.00 -999 ? >THR^D 70 -45.09 26.46 16.09 -45.57 27.93 17.64 -45.33 27.19 16.87 2 0 1000.00 -999 ? >ILE^D 71 -41.55 23.32 15.39 -41.46 22.05 14.72 -41.50 22.69 15.06 3 0 1000.00 -999 ? >THR^D 72 -39.86 25.39 19.31 -40.92 26.35 20.96 -40.39 25.87 20.14 2 0 1000.00 -999 ? >SER^D 73 -36.86 24.16 21.33 -35.15 25.80 20.82 -36.01 24.98 21.08 2 0 1000.00 -999 ? >PRO^D 74 -37.06 21.22 24.51 -37.42 23.41 24.32 -37.24 22.32 24.42 3 0 1000.00 -999 ? >ILE^D 78 -39.07 21.23 29.36 -40.42 21.71 29.02 -39.74 21.47 29.19 3 0 1000.00 -999 ? >ILE^D 79 -34.39 18.94 27.42 -33.97 19.37 25.93 -34.18 19.16 26.67 3 0 1000.00 -999 ? >SER^D 81 -37.62 15.65 32.60 -38.63 17.82 32.63 -38.13 16.73 32.62 2 0 1000.00 -999 ? >TYR^D 82 -38.59 14.57 26.53 -39.08 13.13 24.20 -38.84 13.85 25.37 3 0 1000.00 -999 ? >SER^D 84 -35.73 10.97 32.35 -36.64 12.50 34.04 -36.19 11.73 33.20 2 0 1000.00 -999 ? >HIS^D 85 -41.41 11.35 31.49 -42.94 11.72 32.87 -42.18 11.53 32.18 3 0 1000.00 -999 ? >THR^D 86 -37.83 8.16 28.09 -38.13 9.82 26.79 -37.98 8.99 27.44 2 0 1000.00 -999 ? >SER^D 87 -34.26 6.90 28.83 -32.82 8.91 28.31 -33.54 7.90 28.57 2 0 1000.00 -999 ? >GLU^D 88 -32.90 3.50 31.75 -33.78 3.20 29.81 -33.34 3.35 30.78 2 0 1000.00 -999 ? >ILE^D 89 -30.46 9.14 33.98 -30.85 8.79 34.59 -30.65 8.96 34.29 3 0 1000.00 -999 ? >ILE^D 90 -25.72 11.22 34.05 -25.47 11.15 33.26 -25.60 11.19 33.66 3 0 1000.00 -999 ? >ASN^E 3 -56.59 -1.52 6.82 -55.13 -0.04 7.33 -55.86 -0.78 7.08 2 0 1000.00 -999 ? >ILE^E 4 -58.92 -2.05 12.52 -60.36 -1.90 12.50 -59.64 -1.97 12.51 3 0 1000.00 -999 ? >ILE^E 6 -56.92 5.02 16.25 -57.24 4.96 17.71 -57.08 4.99 16.98 3 0 1000.00 -999 ? >MET?E 7 -57.83 8.58 13.33 -60.01 8.09 9.77 -58.92 8.34 11.55 2 0 1000.00 -999 ? >LEU^E 9 -61.32 14.06 13.60 -62.15 12.70 12.12 -61.73 13.38 12.86 3 0 1000.00 -999 ? >VAL^E 10 -59.21 17.87 13.54 -59.47 19.44 12.06 -59.34 18.66 12.80 3 0 1000.00 -999 ? >THR^E 11 -62.39 18.26 15.60 -63.99 17.61 14.32 -63.19 17.93 14.96 2 0 1000.00 -999 ? >GLY^E 12 -60.59 16.50 18.52 -60.94 16.01 18.00 -60.77 16.25 18.26 1 0 1000.00 -999 ? >GLU^E 13 -64.61 14.05 17.68 -65.71 14.26 15.89 -65.16 14.15 16.78 2 0 1000.00 -999 ? >ASP^E 14 -59.92 9.06 19.25 -58.29 10.23 19.86 -59.10 9.64 19.55 2 0 1000.00 -999 ? >ILE^E 15 -62.86 8.07 14.21 -64.31 8.20 14.41 -63.59 8.14 14.31 3 0 1000.00 -999 ? >ILE^E 16 -61.50 2.80 16.15 -61.68 1.55 16.90 -61.59 2.18 16.52 3 0 1000.00 -999 ? >GLY^E 17 -62.74 1.79 11.80 -61.93 1.80 11.80 -62.33 1.79 11.80 1 0 1000.00 -999 ? >ASN^E 18 -62.64 -1.20 8.00 -61.47 -2.59 6.86 -62.05 -1.89 7.43 2 0 1000.00 -999 ? >ILE^E 19 -58.74 3.26 7.34 -59.31 4.54 7.36 -59.02 3.90 7.35 3 0 1000.00 -999 ? >SER^E 20 -58.88 2.66 2.92 -60.48 2.62 1.10 -59.68 2.64 2.01 2 0 1000.00 -999 ? >GLU^E 21 -55.72 6.09 3.59 -53.93 6.89 4.43 -54.83 6.49 4.01 2 0 1000.00 -999 ? >GLY^E 24 -56.73 12.13 -1.25 -57.46 11.75 -1.37 -57.09 11.94 -1.31 1 0 1000.00 -999 ? >LEU^E 25 -61.05 10.62 -0.19 -62.14 12.41 -0.77 -61.60 11.51 -0.48 3 0 1000.00 -999 ? >ILE^E 26 -59.75 8.48 4.83 -58.72 8.19 5.89 -59.24 8.33 5.36 3 0 1000.00 -999 ? >THR^E 27 -63.15 5.82 3.25 -64.06 5.11 1.41 -63.60 5.47 2.33 2 0 1000.00 -999 ? >ILE^E 28 -64.26 5.50 7.84 -63.62 6.38 8.81 -63.94 5.94 8.33 3 0 1000.00 -999 ? >ALA^E 31 -66.70 3.78 12.36 -66.68 5.09 11.61 -66.69 4.43 11.99 2 0 1000.00 -999 ? >PHE^E 32 -67.85 2.03 16.69 -69.92 0.24 16.15 -68.89 1.13 16.42 3 0 1000.00 -999 ? >VAL^E 33 -65.80 7.14 18.43 -66.69 9.15 18.36 -66.25 8.15 18.39 3 0 1000.00 -999 ? >ILE^E 34 -62.09 5.89 21.27 -60.98 4.99 21.27 -61.53 5.44 21.27 3 0 1000.00 -999 ? >ILE^E 35 -66.50 8.20 24.68 -67.48 9.42 24.89 -66.99 8.81 24.79 3 0 1000.00 -999 ? >PRO^E 36 -61.61 9.37 26.81 -63.16 7.76 26.96 -62.38 8.57 26.88 3 0 1000.00 -999 ? >MET?E 37 -64.12 8.13 31.20 -67.88 6.62 30.19 -66.00 7.37 30.70 2 0 1000.00 -999 ? >VAL^E 45 -60.41 4.26 32.74 -59.22 5.92 31.81 -59.81 5.09 32.28 3 0 1000.00 -999 ? >LEU^E 47 -61.76 2.88 25.94 -59.76 3.76 25.88 -60.76 3.32 25.91 3 0 1000.00 -999 ? >VAL^E 48 -66.31 3.15 25.25 -68.09 3.55 26.45 -67.20 3.35 25.85 3 0 1000.00 -999 ? >LEU^E 49 -66.51 1.47 20.72 -64.46 0.98 20.23 -65.49 1.22 20.47 3 0 1000.00 -999 ? >SER^E 50 -70.02 4.40 20.18 -71.61 6.23 20.30 -70.81 5.32 20.24 2 0 1000.00 -999 ? >PRO^E 51 -72.97 3.38 17.12 -71.10 4.61 17.24 -72.04 3.99 17.18 3 0 1000.00 -999 ? >TRP^E 52 -67.77 10.25 14.44 -66.26 10.57 10.82 -67.02 10.41 12.63 3 0 1000.00 -999 ? >GLN^E 53 -70.82 9.98 10.90 -71.17 12.08 10.73 -70.99 11.03 10.81 2 0 1000.00 -999 ? >PRO^E 54 -75.18 9.81 16.03 -74.93 8.36 14.36 -75.05 9.09 15.19 3 0 1000.00 -999 ? >TYR^E 55 -77.50 12.41 13.33 -77.38 13.86 15.70 -77.44 13.13 14.51 3 0 1000.00 -999 ? >THR^E 56 -77.04 7.91 9.13 -75.35 8.01 7.81 -76.19 7.96 8.47 2 0 1000.00 -999 ? >ASP^E 58 -73.74 6.06 5.07 -75.06 7.37 4.07 -74.40 6.71 4.57 2 0 1000.00 -999 ? >ILE^E 61 -68.24 7.84 6.57 -68.93 8.48 7.69 -68.58 8.16 7.13 3 0 1000.00 -999 ? >VAL^E 62 -65.61 9.63 3.23 -65.37 9.52 1.09 -65.49 9.58 2.16 3 0 1000.00 -999 ? >ILE^E 63 -62.99 12.26 6.34 -62.94 11.72 7.65 -62.96 11.99 6.99 3 0 1000.00 -999 ? >ASP^E 64 -60.70 15.87 2.83 -59.10 16.42 1.59 -59.90 16.14 2.21 2 0 1000.00 -999 ? >ASP^E 65 -56.14 12.75 4.06 -55.13 13.97 2.66 -55.64 13.36 3.36 2 0 1000.00 -999 ? >SER^E 66 -56.75 17.17 5.59 -58.44 18.40 4.35 -57.59 17.78 4.97 2 0 1000.00 -999 ? >LYS^E 67 -59.30 16.72 8.41 -62.71 19.79 5.45 -61.01 18.26 6.93 2 0 1000.00 -999 ? >VAL^E 68 -57.21 13.98 10.10 -57.57 11.89 9.74 -57.39 12.93 9.92 3 0 1000.00 -999 ? >ILE^E 69 -54.41 15.32 13.80 -54.49 16.23 14.77 -54.45 15.78 14.29 3 0 1000.00 -999 ? >THR^E 70 -52.88 11.25 12.89 -52.31 11.42 14.98 -52.59 11.33 13.93 2 0 1000.00 -999 ? >ILE^E 71 -53.82 7.40 10.14 -54.84 7.04 9.05 -54.33 7.22 9.60 3 0 1000.00 -999 ? >THR^E 72 -52.36 5.11 14.02 -52.07 5.56 16.11 -52.21 5.34 15.06 2 0 1000.00 -999 ? >SER^E 73 -52.70 1.36 14.62 -50.41 0.47 14.45 -51.56 0.92 14.53 2 0 1000.00 -999 ? >PRO^E 74 -56.12 -0.62 16.30 -54.38 0.50 17.11 -55.25 -0.06 16.71 3 0 1000.00 -999 ? >ASP^E 76 -53.72 -6.43 21.22 -54.28 -8.19 20.15 -54.00 -7.31 20.68 2 0 1000.00 -999 ? >ASP^E 77 -57.03 -4.49 24.99 -56.60 -2.44 25.28 -56.82 -3.46 25.14 2 0 1000.00 -999 ? >ILE^E 78 -58.19 -0.67 21.11 -58.07 0.79 21.19 -58.13 0.06 21.15 3 0 1000.00 -999 ? >ILE^E 79 -57.77 -4.83 17.62 -56.93 -5.03 16.42 -57.35 -4.93 17.02 3 0 1000.00 -999 ? >SER^E 81 -63.30 -4.80 21.57 -64.31 -3.10 22.98 -63.81 -3.95 22.28 2 0 1000.00 -999 ? >TYR^E 82 -63.28 -2.03 15.94 -64.36 -1.28 13.48 -63.82 -1.66 14.71 3 0 1000.00 -999 ? >HIS^E 85 -68.45 -2.81 19.70 -68.55 -2.26 21.72 -68.50 -2.54 20.71 3 0 1000.00 -999 ?