#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7hbi h VAL 3 N 0.00 1.18 -0.37 -3.33 2.07 -1.88 -2.53 116.25 111.39 7hbi h VAL 3 Ca 0.00 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 7hbi h VAL 3 Cb 0.00 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 7hbi h VAL 3 CO 0.00 0.18 0.08 1.88 0.02 0.00 0.00 177.57 179.73 7hbi h TYR 4 N 0.96 0.55 -0.09 1.57 0.05 -1.97 0.16 116.97 118.20 7hbi h TYR 4 Ca 0.26 -0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.82 7hbi h TYR 4 Cb -0.11 -0.17 0.01 0.00 1.01 0.00 0.00 36.73 37.48 7hbi h TYR 4 CO -0.02 0.49 -0.68 -0.44 -1.05 0.00 0.00 178.16 176.46 7hbi h ASP 5 N 0.54 0.75 -0.90 3.88 3.32 -1.95 -1.93 116.42 120.12 7hbi h ASP 5 Ca 0.12 -0.67 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 7hbi h ASP 5 Cb 0.22 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 7hbi h ASP 5 CO -0.00 1.30 0.50 0.00 -1.72 0.00 0.00 179.24 179.32 7hbi h ALA 6 N 0.46 1.17 -0.56 3.45 0.00 -1.01 -0.89 119.26 121.88 7hbi h ALA 6 Ca -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 7hbi h ALA 6 Cb 1.33 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 7hbi h ALA 6 CO 0.14 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.25 7hbi h ALA 7 N 1.28 1.29 0.00 0.00 0.00 -0.66 -2.02 119.26 119.14 7hbi h ALA 7 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 7hbi h ALA 7 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 7hbi h ALA 7 CO -0.05 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.71 7hbi h ALA 8 N 1.41 1.00 0.00 0.00 0.00 -0.34 -1.89 119.26 119.44 7hbi h ALA 8 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 7hbi h ALA 8 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 7hbi h ALA 8 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.28 7hbi n GLN 9 N -3.07 0.14 -3.00 0.00 1.13 -0.76 -4.44 117.38 107.38 7hbi n GLN 9 Ca -0.01 0.15 -0.44 0.00 -1.94 0.00 0.00 57.00 54.76 7hbi n GLN 9 Cb 0.22 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 7hbi n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 7hbi s LEU 10 N -2.76 5.37 0.81 1.08 1.43 -0.71 -4.96 118.68 118.94 7hbi s LEU 10 Ca 0.13 -2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 50.88 7hbi s LEU 10 Cb 0.12 -2.36 0.09 0.00 0.03 0.00 0.00 46.19 44.07 7hbi s LEU 10 CO 0.29 -0.95 1.17 0.42 0.23 0.00 0.00 176.35 177.52 7hbi s THR 11 N 2.13 2.04 0.27 5.49 -4.23 -1.26 -4.76 115.64 115.31 7hbi s THR 11 Ca 0.31 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 7hbi s THR 11 Cb -0.06 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.07 7hbi s THR 11 CO -0.09 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.65 7hbi h ALA 12 N -1.06 1.09 -0.29 3.99 0.00 -1.97 0.12 119.26 121.13 7hbi h ALA 12 Ca -0.45 0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 7hbi h ALA 12 Cb 1.32 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 7hbi h ALA 12 CO 0.62 -0.40 -0.50 0.38 0.00 0.00 0.00 179.25 179.34 7hbi h ASP 13 N 0.23 0.89 -0.33 0.00 3.04 -1.99 -1.99 116.42 116.26 7hbi h ASP 13 Ca 0.48 -0.45 -0.03 0.00 -3.24 0.00 0.00 57.03 53.79 7hbi h ASP 13 Cb 0.90 -0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 38.93 7hbi h ASP 13 CO -0.60 1.23 0.07 0.58 -2.04 0.00 0.00 179.24 178.48 7hbi h VAL 14 N 0.63 1.23 -0.96 4.15 2.07 -1.68 -1.46 116.25 120.22 7hbi h VAL 14 Ca 0.03 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.82 7hbi h VAL 14 Cb 1.08 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 7hbi h VAL 14 CO 0.11 0.26 0.63 0.11 0.02 0.00 0.00 177.57 178.70 7hbi h LYS 15 N 0.37 1.18 -0.33 1.57 1.57 -0.96 -0.55 116.57 119.42 7hbi h LYS 15 Ca 0.10 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 7hbi h LYS 15 Cb 0.32 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 7hbi h LYS 15 CO 0.00 0.78 0.02 -0.22 -0.57 0.00 0.00 179.45 179.46 7hbi h LYS 16 N 1.21 0.58 -0.44 3.15 1.63 -1.02 -1.28 116.57 120.40 7hbi h LYS 16 Ca 0.39 -0.18 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 7hbi h LYS 16 Cb 0.02 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 7hbi h LYS 16 CO -0.12 0.69 -0.08 -0.44 -3.45 0.00 0.00 179.45 176.06 7hbi h ASP 17 N 0.39 0.75 -0.08 4.20 3.32 -0.69 0.09 116.42 124.40 7hbi h ASP 17 Ca 0.10 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 7hbi h ASP 17 Cb 0.42 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 7hbi h ASP 17 CO 0.01 0.86 0.03 -0.07 -1.72 0.00 0.00 179.24 178.35 7hbi h LEU 18 N 0.70 0.10 -0.47 1.55 3.38 -0.97 -1.98 115.31 117.62 7hbi h LEU 18 Ca 0.13 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 7hbi h LEU 18 Cb 0.54 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 7hbi h LEU 18 CO 0.03 0.24 0.12 0.03 0.09 0.00 0.00 178.44 178.96 7hbi h ARG 19 N -0.04 0.75 -0.55 1.13 3.08 -0.98 -0.48 114.38 117.30 7hbi h ARG 19 Ca 0.03 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 7hbi h ARG 19 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 7hbi h ARG 19 CO -0.00 0.73 0.06 -0.44 -1.07 0.00 0.00 179.97 179.25 7hbi h ASP 20 N 0.64 0.90 0.42 7.04 3.32 -0.95 -1.51 116.42 126.28 7hbi h ASP 20 Ca 0.15 -0.28 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 7hbi h ASP 20 Cb 0.31 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 7hbi h ASP 20 CO -0.00 0.95 -0.76 0.77 -1.72 0.00 0.00 179.24 178.48 7hbi h SER 21 N 0.82 0.33 -0.46 6.45 4.64 -1.30 -3.24 113.55 120.80 7hbi h SER 21 Ca 0.16 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 7hbi h SER 21 Cb 0.45 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 7hbi h SER 21 CO 0.02 0.97 0.15 -0.25 -0.87 0.00 0.00 176.83 176.85 7hbi h TRP 22 N 0.18 0.78 -0.88 4.77 2.91 -0.80 -0.97 115.95 121.94 7hbi h TRP 22 Ca -0.03 -0.06 0.16 0.00 1.13 0.00 0.00 58.89 60.09 7hbi h TRP 22 Cb 1.34 -0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 29.69 7hbi h TRP 22 CO 0.03 0.65 0.57 -0.22 -1.03 0.00 0.00 178.44 178.44 7hbi h LYS 23 N 0.75 0.58 0.00 2.65 3.11 -1.30 0.28 116.57 122.65 7hbi h LYS 23 Ca 0.17 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.95 7hbi h LYS 23 Cb 0.24 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.34 7hbi h LYS 23 CO -0.01 0.39 -0.29 0.28 -2.81 0.00 0.00 179.45 177.01 7hbi h VAL 24 N 0.60 0.43 0.00 2.00 2.07 -1.42 -3.33 116.25 116.60 7hbi h VAL 24 Ca 0.45 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 7hbi h VAL 24 Cb 0.84 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 7hbi h VAL 24 CO -0.20 0.14 -0.26 0.16 0.02 0.00 0.00 177.57 177.44 7hbi h ILE 25 N -1.00 0.65 0.00 4.57 3.07 -1.06 -2.54 117.51 121.20 7hbi h ILE 25 Ca -0.04 -1.19 0.00 0.00 1.55 0.00 0.00 64.86 65.18 7hbi h ILE 25 Cb 0.47 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 7hbi h ILE 25 CO -0.02 0.25 0.00 0.61 -1.05 0.00 0.00 178.15 177.94 7hbi n GLY 26 N 0.10 -1.38 0.22 0.16 0.00 0.99 -3.12 105.19 102.17 7hbi n GLY 26 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.10 7hbi n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 7hbi h SER 27 N 0.00 0.00 -3.18 1.61 4.64 -1.56 -3.34 113.55 111.73 7hbi h SER 27 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 7hbi h SER 27 Cb 0.47 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.15 7hbi h SER 27 CO 0.00 0.21 -0.73 -0.62 -0.87 0.00 0.00 176.83 174.82 7hbi s ASP 28 N -6.17 3.56 0.11 4.97 2.15 -1.18 -4.96 116.67 115.15 7hbi s ASP 28 Ca 0.01 -3.12 -0.17 0.00 0.43 0.00 0.00 52.55 49.69 7hbi s ASP 28 Cb 0.10 -1.12 -0.04 0.00 -0.30 0.00 0.00 42.92 41.56 7hbi s ASP 28 CO 0.64 -0.19 1.63 0.11 -0.17 0.00 0.00 175.17 177.19 7hbi h LYS 29 N 6.06 0.51 -0.00 4.34 1.57 -1.76 -1.22 116.57 126.07 7hbi h LYS 29 Ca 0.10 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 7hbi h LYS 29 Cb 0.87 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 7hbi h LYS 29 CO 0.54 0.54 0.00 -0.22 -0.57 0.00 0.00 179.45 179.74 7hbi h LYS 30 N 0.37 0.01 0.18 3.15 3.64 -1.93 0.72 116.57 122.71 7hbi h LYS 30 Ca 0.11 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 7hbi h LYS 30 Cb 0.24 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 7hbi h LYS 30 CO -0.00 0.12 -0.08 0.78 -2.27 0.00 0.00 179.45 177.99 7hbi h GLY 31 N -0.11 -0.25 1.71 5.01 0.00 -1.95 -1.73 103.07 105.75 7hbi h GLY 31 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 7hbi h GLY 31 CO -0.00 -0.09 -0.77 3.43 0.00 0.00 0.00 176.54 179.11 7hbi h ASN 32 N -0.46 0.34 -0.06 0.19 2.35 -1.29 -0.95 115.58 115.69 7hbi h ASN 32 Ca -0.02 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 7hbi h ASN 32 Cb 0.36 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 7hbi h ASN 32 CO 0.04 0.98 0.04 1.23 -1.65 0.00 0.00 177.43 178.07 7hbi h GLY 33 N 1.55 0.09 1.33 2.83 0.00 -0.85 0.19 103.07 108.21 7hbi h GLY 33 Ca -0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 7hbi h GLY 33 CO 0.12 0.04 -0.19 -2.08 0.00 0.00 0.00 176.54 174.43 7hbi h VAL 34 N 0.05 1.27 -0.38 4.60 2.07 -1.27 -2.57 116.25 120.02 7hbi h VAL 34 Ca 0.02 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.27 7hbi h VAL 34 Cb 0.03 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 7hbi h VAL 34 CO -0.00 0.43 0.21 0.00 0.02 0.00 0.00 177.57 178.23 7hbi h ALA 35 N 1.09 0.47 -0.31 1.67 0.00 -0.92 -0.53 119.26 120.74 7hbi h ALA 35 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.05 7hbi h ALA 35 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 7hbi h ALA 35 CO 0.05 -0.14 0.07 -0.07 0.00 0.00 0.00 179.25 179.16 7hbi h LEU 36 N 0.42 0.04 -0.22 0.00 3.38 -0.80 -1.35 115.31 116.77 7hbi h LEU 36 Ca 0.16 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 7hbi h LEU 36 Cb 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 7hbi h LEU 36 CO -0.09 0.06 -0.01 0.24 0.09 0.00 0.00 178.44 178.73 7hbi h MET 37 N 0.19 0.40 -0.28 1.13 2.86 -1.15 -1.22 114.93 116.86 7hbi h MET 37 Ca 0.14 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 7hbi h MET 37 Cb 0.14 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 7hbi h MET 37 CO -0.18 0.60 -0.15 1.79 1.06 0.00 0.00 176.91 180.03 7hbi h THR 38 N 0.16 1.24 -0.55 2.22 1.35 -1.04 -1.38 112.91 114.91 7hbi h THR 38 Ca 0.06 -1.06 -0.09 0.00 -0.55 0.00 0.00 66.41 64.76 7hbi h THR 38 Cb 0.42 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 7hbi h THR 38 CO 0.01 0.34 -0.03 0.74 -0.25 0.00 0.00 175.52 176.34 7hbi h THR 39 N 0.44 1.26 -0.21 6.82 2.02 -1.08 0.11 112.91 122.27 7hbi h THR 39 Ca 0.08 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.12 7hbi h THR 39 Cb 0.53 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 7hbi h THR 39 CO 0.03 0.41 0.14 0.25 0.37 0.00 0.00 175.52 176.72 7hbi h LEU 40 N 0.88 0.23 -0.77 2.58 5.85 -0.64 -0.48 115.31 122.96 7hbi h LEU 40 Ca 0.16 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 7hbi h LEU 40 Cb 0.56 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 7hbi h LEU 40 CO 0.03 0.17 -0.36 -0.26 -0.34 0.00 0.00 178.44 177.68 7hbi h PHE 41 N 0.28 0.60 -0.28 1.25 0.04 -1.02 0.27 116.94 118.08 7hbi h PHE 41 Ca 0.08 -0.16 -0.15 0.00 2.80 0.00 0.00 57.97 60.54 7hbi h PHE 41 Cb -0.02 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 7hbi h PHE 41 CO -0.07 0.81 -0.42 0.00 -0.60 0.00 0.00 178.31 178.03 7hbi h ALA 42 N 1.18 0.43 0.00 2.45 0.00 -0.79 -2.96 119.26 119.55 7hbi h ALA 42 Ca 0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 7hbi h ALA 42 Cb 0.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 7hbi h ALA 42 CO 0.07 0.55 -0.91 -0.44 0.00 0.00 0.00 179.25 178.51 7hbi h ASP 43 N 0.53 0.00 -2.06 0.00 3.32 -0.99 -3.39 116.42 113.83 7hbi h ASP 43 Ca 0.03 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.52 7hbi h ASP 43 Cb 1.02 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.17 7hbi h ASP 43 CO 0.10 0.28 -0.98 0.59 -1.72 0.00 0.00 179.24 177.51 7hbi n ASN 44 N -2.90 1.31 -0.04 6.45 4.13 0.94 -4.95 115.26 120.19 7hbi n ASN 44 Ca -0.02 -2.96 0.17 0.00 1.68 0.00 0.00 54.58 53.45 7hbi n ASN 44 Cb 0.68 -0.64 0.61 0.00 -1.54 0.00 0.00 39.78 38.89 7hbi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 7hbi h GLN 45 N 3.86 0.17 0.00 3.52 4.20 -1.71 -0.83 115.11 124.31 7hbi h GLN 45 Ca 0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.81 7hbi h GLN 45 Cb 0.82 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.56 7hbi h GLN 45 CO 0.57 0.11 0.00 -0.85 -0.67 0.00 0.00 178.83 177.99 7hbi n GLU 46 N -4.43 0.07 0.04 1.46 0.00 -1.26 -2.39 120.64 114.13 7hbi n GLU 46 Ca 0.10 0.48 0.12 0.00 0.00 0.00 0.00 57.16 57.86 7hbi n GLU 46 Cb 0.52 -1.68 0.15 0.00 0.00 0.00 0.00 31.44 30.42 7hbi n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 7hbi n THR 47 N -1.82 0.23 -0.19 3.84 -2.24 -0.32 -4.33 114.28 109.44 7hbi n THR 47 Ca 0.01 -0.20 0.07 0.00 -2.27 0.00 0.00 64.05 61.65 7hbi n THR 47 Cb 0.08 0.05 0.36 0.00 -2.10 0.00 0.00 70.33 68.71 7hbi n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 7hbi h ILE 48 N 0.00 1.00 -0.90 2.28 2.04 -1.64 -1.65 117.51 118.64 7hbi h ILE 48 Ca 0.00 -0.26 0.19 0.00 1.00 0.00 0.00 64.86 65.80 7hbi h ILE 48 Cb 0.69 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 7hbi h ILE 48 CO 0.00 0.14 0.59 1.23 0.00 0.00 0.00 178.15 180.11 7hbi h GLY 49 N 0.74 0.96 2.00 5.37 0.00 -1.81 0.16 103.07 110.50 7hbi h GLY 49 Ca 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 7hbi h GLY 49 CO -0.12 0.00 -0.07 -0.97 0.00 0.00 0.00 176.54 175.39 7hbi h TYR 50 N 0.46 0.00 -0.79 5.60 0.05 -1.60 -3.04 116.97 117.65 7hbi h TYR 50 Ca 0.47 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.84 7hbi h TYR 50 Cb 1.08 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 38.58 7hbi h TYR 50 CO -0.00 0.07 0.42 1.19 -1.05 0.00 0.00 178.16 178.78 7hbi n PHE 51 N -3.47 2.44 0.18 4.88 3.72 0.04 -4.69 117.46 120.57 7hbi n PHE 51 Ca -0.02 -1.79 0.13 0.00 -0.05 0.00 0.00 57.45 55.73 7hbi n PHE 51 Cb 0.20 -0.81 0.70 0.00 -0.94 0.00 0.00 39.48 38.63 7hbi n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 7hbi h LYS 52 N 1.01 0.00 0.00 -1.08 1.63 -1.63 -0.83 116.57 115.67 7hbi h LYS 52 Ca 0.51 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.30 7hbi h LYS 52 Cb 2.47 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 34.10 7hbi h LYS 52 CO 0.88 0.00 -0.03 -0.09 -3.45 0.00 0.00 179.45 176.76 7hbi h ARG 53 N 0.00 0.00 0.00 1.90 2.43 -1.90 -2.13 114.38 114.68 7hbi h ARG 53 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 7hbi h ARG 53 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 7hbi h ARG 53 CO -0.00 0.03 0.00 1.28 -1.51 0.00 0.00 179.97 179.77 7hbi n LEU 54 N -4.38 0.00 0.00 3.80 4.77 -0.32 -5.00 117.00 115.87 7hbi n LEU 54 Ca -0.03 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 7hbi n LEU 54 Cb 0.12 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 7hbi n LEU 54 CO 0.33 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 7hbi n GLY 55 N 1.11 0.79 3.50 -0.72 0.00 -0.80 -4.56 105.19 104.51 7hbi n GLY 55 Ca 0.16 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 7hbi n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 7hbi s ASP 56 N -4.00 6.35 0.28 1.61 2.15 -1.26 -4.86 116.67 116.94 7hbi s ASP 56 Ca 0.00 -1.21 0.23 0.00 0.43 0.00 0.00 52.55 52.00 7hbi s ASP 56 Cb 0.00 -2.49 1.04 0.00 -0.30 0.00 0.00 42.92 41.17 7hbi s ASP 56 CO 0.00 -1.47 1.69 1.33 -0.17 0.00 0.00 175.17 176.54 7hbi n VAL 57 N 6.19 0.91 0.27 1.11 0.24 -1.26 -2.28 118.33 123.51 7hbi n VAL 57 Ca 0.13 0.41 0.11 0.00 -2.04 0.00 0.00 64.34 62.95 7hbi n VAL 57 Cb 0.48 -1.36 0.75 0.00 -1.47 0.00 0.00 33.84 32.24 7hbi n VAL 57 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 7hbi h SER 58 N 0.00 0.00 0.64 -1.34 0.02 -1.99 -2.03 113.55 108.85 7hbi h SER 58 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 7hbi h SER 58 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 7hbi h SER 58 CO 0.00 0.04 0.00 1.56 -1.14 0.00 0.00 176.83 177.29 7hbi h GLN 59 N 0.00 0.00 0.00 3.45 4.20 -1.88 -3.48 115.11 117.40 7hbi h GLN 59 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 7hbi h GLN 59 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 7hbi h GLN 59 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 7hbi n GLY 60 N -0.32 3.07 0.50 3.46 0.00 -0.77 -2.85 105.19 108.27 7hbi n GLY 60 Ca 0.00 -0.27 0.32 0.00 0.00 0.00 0.00 46.02 46.07 7hbi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 7hbi h MET 61 N 0.00 0.06 0.00 1.61 1.85 -1.92 -0.36 114.93 116.18 7hbi h MET 61 Ca 0.00 -0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 7hbi h MET 61 Cb 0.00 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 7hbi h MET 61 CO 0.00 0.04 -0.26 0.00 -0.40 0.00 0.00 176.91 176.29 7hbi h ALA 62 N 1.48 1.08 -1.93 0.39 0.00 -1.94 -3.41 119.26 114.92 7hbi h ALA 62 Ca 0.54 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 54.62 7hbi h ALA 62 Cb 2.01 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.66 7hbi h ALA 62 CO -0.05 0.33 0.64 1.21 0.00 0.00 0.00 179.25 181.37 7hbi s ASN 63 N -6.30 6.58 0.35 0.00 3.84 -0.15 -4.92 114.94 114.34 7hbi s ASN 63 Ca -0.00 0.33 0.04 0.00 0.21 0.00 0.00 52.86 53.43 7hbi s ASN 63 Cb 0.11 -2.47 0.64 0.00 -0.55 0.00 0.00 41.25 38.98 7hbi s ASN 63 CO 0.65 -1.01 1.93 0.44 -2.79 0.00 0.00 177.10 176.32 7hbi h ASP 64 N 8.89 0.56 -0.31 -4.21 3.32 -1.85 -0.78 116.42 122.05 7hbi h ASP 64 Ca -0.24 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.58 7hbi h ASP 64 Cb 1.07 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 7hbi h ASP 64 CO 1.02 0.53 -0.45 0.11 -1.72 0.00 0.00 179.24 178.74 7hbi h LYS 65 N 0.61 0.88 -0.55 3.56 1.57 -1.91 -1.07 116.57 119.67 7hbi h LYS 65 Ca 0.15 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.32 7hbi h LYS 65 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 7hbi h LYS 65 CO -0.01 1.14 -0.07 1.25 -0.57 0.00 0.00 179.45 181.19 7hbi h LEU 66 N 0.70 1.00 -0.38 2.94 5.85 -1.69 -1.05 115.31 122.69 7hbi h LEU 66 Ca 0.04 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 7hbi h LEU 66 Cb 1.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 7hbi h LEU 66 CO 0.10 1.10 0.11 -0.09 -0.34 0.00 0.00 178.44 179.33 7hbi h ARG 67 N 0.89 0.59 -0.24 1.25 2.43 -0.99 0.18 114.38 118.48 7hbi h ARG 67 Ca 0.15 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 7hbi h ARG 67 Cb 0.63 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 7hbi h ARG 67 CO 0.04 0.60 0.09 0.78 -1.51 0.00 0.00 179.97 179.97 7hbi h GLY 68 N 0.46 0.30 0.66 2.80 0.00 -1.08 -1.53 103.07 104.68 7hbi h GLY 68 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.44 7hbi h GLY 68 CO -0.00 0.03 0.09 0.84 0.00 0.00 0.00 176.54 177.50 7hbi h HIS 69 N 0.20 0.15 -0.55 5.60 -0.00 -0.98 -2.41 115.15 117.16 7hbi h HIS 69 Ca 0.11 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 7hbi h HIS 69 Cb 0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 7hbi h HIS 69 CO -0.12 0.05 0.16 0.77 -0.00 0.00 0.00 177.93 178.78 7hbi h SER 70 N 0.21 0.81 -0.25 3.26 0.02 -0.59 -0.56 113.55 116.46 7hbi h SER 70 Ca 0.15 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 7hbi h SER 70 Cb 0.15 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 7hbi h SER 70 CO -0.18 0.82 0.13 0.40 -1.14 0.00 0.00 176.83 176.86 7hbi h ILE 71 N 0.77 1.13 -0.93 3.27 2.04 -1.20 -2.03 117.51 120.57 7hbi h ILE 71 Ca 0.18 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 7hbi h ILE 71 Cb 0.31 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 7hbi h ILE 71 CO -0.00 0.13 0.54 0.58 0.00 0.00 0.00 178.15 179.40 7hbi h VAL 72 N 0.29 1.26 -0.75 1.67 2.07 -1.13 -1.63 116.25 118.02 7hbi h VAL 72 Ca 0.09 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.06 7hbi h VAL 72 Cb 0.09 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.78 7hbi h VAL 72 CO -0.01 0.28 0.47 0.25 0.02 0.00 0.00 177.57 178.57 7hbi h LEU 73 N 1.28 0.76 -1.30 2.57 6.46 -0.83 -1.44 115.31 122.81 7hbi h LEU 73 Ca 0.33 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 58.02 7hbi h LEU 73 Cb -0.03 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 7hbi h LEU 73 CO -0.06 0.51 -0.35 0.24 -0.62 0.00 0.00 178.44 178.17 7hbi h MET 74 N 0.90 0.00 0.00 1.25 2.86 -0.59 -0.97 114.93 118.38 7hbi h MET 74 Ca 0.31 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.88 7hbi h MET 74 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 7hbi h MET 74 CO -0.13 0.35 -0.32 1.88 1.06 0.00 0.00 176.91 179.75 7hbi h TYR 75 N 0.00 0.00 -0.47 -0.22 0.05 -0.58 -0.71 116.97 115.04 7hbi h TYR 75 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 7hbi h TYR 75 Cb 0.62 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 7hbi h TYR 75 CO 0.00 0.32 0.06 0.00 -1.05 0.00 0.00 178.16 177.49 7hbi h ALA 76 N 1.68 0.62 -0.55 3.88 0.00 -0.24 -0.97 119.26 123.69 7hbi h ALA 76 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 7hbi h ALA 76 Cb 0.87 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 7hbi h ALA 76 CO 0.04 0.36 0.06 -0.07 0.00 0.00 0.00 179.25 179.64 7hbi h LEU 77 N 0.65 0.90 -0.76 0.00 3.38 -1.21 -1.11 115.31 117.14 7hbi h LEU 77 Ca 0.14 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.93 7hbi h LEU 77 Cb 0.41 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 7hbi h LEU 77 CO 0.01 0.95 0.41 -0.61 0.09 0.00 0.00 178.44 179.29 7hbi h GLN 78 N 0.81 0.67 -0.06 1.13 5.75 -1.02 -1.39 115.11 121.00 7hbi h GLN 78 Ca 0.16 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 7hbi h GLN 78 Cb 0.46 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 7hbi h GLN 78 CO 0.02 0.44 0.04 -0.97 -2.65 0.00 0.00 178.83 175.71 7hbi h ASN 79 N 0.69 0.07 -0.63 -0.69 -0.73 -0.59 -1.29 115.58 112.41 7hbi h ASN 79 Ca 0.37 -0.04 0.06 0.00 1.87 0.00 0.00 56.30 58.56 7hbi h ASN 79 Cb 0.37 -0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 7hbi h ASN 79 CO -0.26 0.09 0.34 -0.26 -0.37 0.00 0.00 177.43 176.97 7hbi h PHE 80 N 0.05 0.61 -0.75 0.67 0.04 -0.57 -1.62 116.94 115.37 7hbi h PHE 80 Ca 0.02 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 7hbi h PHE 80 Cb 0.03 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 7hbi h PHE 80 CO -0.06 0.28 0.37 0.82 -0.60 0.00 0.00 178.31 179.12 7hbi h ILE 81 N 0.62 1.24 0.00 -0.55 1.08 -1.01 -1.95 117.51 116.94 7hbi h ILE 81 Ca 0.29 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 7hbi h ILE 81 Cb 0.20 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 7hbi h ILE 81 CO -0.19 0.28 -0.05 0.44 -0.69 0.00 0.00 178.15 177.95 7hbi h ASP 82 N 1.06 0.00 -0.02 1.72 3.32 -0.55 -2.79 116.42 119.15 7hbi h ASP 82 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 7hbi h ASP 82 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 7hbi h ASP 82 CO -0.03 0.05 -0.00 0.00 -1.72 0.00 0.00 179.24 177.53 7hbi n GLN 83 N -3.18 1.92 0.08 3.56 1.13 -0.67 -4.43 117.38 115.79 7hbi n GLN 83 Ca 0.00 -1.34 0.13 0.00 -1.94 0.00 0.00 57.00 53.85 7hbi n GLN 83 Cb 0.30 -1.47 0.62 0.00 0.11 0.00 0.00 30.24 29.80 7hbi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 7hbi h LEU 84 N 3.27 0.10 -1.69 1.08 3.38 -1.24 -1.06 115.31 119.15 7hbi h LEU 84 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 7hbi h LEU 84 Cb 0.70 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 7hbi h LEU 84 CO 0.00 0.06 -0.04 0.44 0.09 0.00 0.00 178.44 178.99 7hbi h ASP 85 N 0.11 0.13 -3.37 -0.43 3.32 -1.83 -3.40 116.42 110.95 7hbi h ASP 85 Ca 0.16 -0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.60 7hbi h ASP 85 Cb 0.49 -0.03 -0.40 0.00 0.22 0.00 0.00 39.33 39.61 7hbi h ASP 85 CO -0.02 0.20 -0.76 0.21 -1.72 0.00 0.00 179.24 177.15 7hbi s ASN 86 N -6.94 3.97 0.54 6.45 3.84 -0.40 -5.00 114.94 117.39 7hbi s ASN 86 Ca -0.05 -1.51 0.23 0.00 0.21 0.00 0.00 52.86 51.74 7hbi s ASN 86 Cb 0.16 -1.03 1.43 0.00 -0.55 0.00 0.00 41.25 41.26 7hbi s ASN 86 CO 0.70 -0.35 2.07 -0.65 -2.79 0.00 0.00 177.10 176.08 7hbi h PRO 87 N 8.00 0.00 -0.22 0.43 0.11 -1.79 -0.99 132.00 137.54 7hbi h PRO 87 Ca -0.13 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.84 7hbi h PRO 87 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 7hbi h PRO 87 CO 0.45 0.00 -0.44 -0.44 -0.21 0.00 0.00 178.00 177.36 7hbi h ASP 88 N 0.00 0.58 0.36 -2.05 3.32 -1.94 -0.95 116.42 115.74 7hbi h ASP 88 Ca 0.14 -0.27 -0.29 0.00 0.02 0.00 0.00 57.03 56.63 7hbi h ASP 88 Cb 0.58 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.99 7hbi h ASP 88 CO -0.00 0.94 -1.26 0.44 -1.72 0.00 0.00 179.24 177.64 7hbi h ASP 89 N 0.44 0.68 -0.75 6.45 3.32 -1.58 -2.71 116.42 122.27 7hbi h ASP 89 Ca 0.03 -0.67 0.01 0.00 0.02 0.00 0.00 57.03 56.42 7hbi h ASP 89 Cb 0.94 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 7hbi h ASP 89 CO 0.08 1.50 0.49 0.25 -1.72 0.00 0.00 179.24 179.84 7hbi h LEU 90 N 0.17 0.88 -0.62 1.55 5.85 -1.18 -2.42 115.31 119.53 7hbi h LEU 90 Ca -0.17 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 7hbi h LEU 90 Cb 1.95 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 7hbi h LEU 90 CO 0.23 0.64 -0.23 0.58 -0.34 0.00 0.00 178.44 179.32 7hbi h VAL 91 N 1.02 1.27 -0.02 1.05 2.07 -1.17 -0.88 116.25 119.60 7hbi h VAL 91 Ca 0.28 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 7hbi h VAL 91 Cb -0.10 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 7hbi h VAL 91 CO -0.06 0.46 -0.56 0.00 0.02 0.00 0.00 177.57 177.43 7hbi h VAL 93 N 0.05 1.35 -0.13 0.00 -1.51 -1.30 -2.33 116.25 112.38 7hbi h VAL 93 Ca -0.00 -2.29 0.02 0.00 -1.23 0.00 0.00 66.70 63.19 7hbi h VAL 93 Cb 1.01 2.31 -0.02 0.00 -2.13 0.00 0.00 31.29 32.46 7hbi h VAL 93 CO 0.08 0.70 -0.00 0.58 -1.23 0.00 0.00 177.57 177.69 7hbi h VAL 94 N 0.32 0.91 -0.26 7.19 2.07 -0.95 -1.97 116.25 123.55 7hbi h VAL 94 Ca -0.08 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 7hbi h VAL 94 Cb 1.55 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 7hbi h VAL 94 CO 0.17 0.01 0.12 -0.33 0.02 0.00 0.00 177.57 177.56 7hbi h GLU 95 N 0.04 0.35 0.08 1.57 5.08 -1.03 0.11 114.58 120.78 7hbi h GLU 95 Ca 0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 7hbi h GLU 95 Cb 0.07 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.25 7hbi h GLU 95 CO -0.11 0.28 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.92 7hbi h LYS 96 N 0.35 -0.11 0.00 2.33 3.11 -0.83 -1.86 116.57 119.57 7hbi h LYS 96 Ca 0.09 0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.88 7hbi h LYS 96 Cb 0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 7hbi h LYS 96 CO -0.01 0.12 -0.30 0.74 -2.81 0.00 0.00 179.45 177.19 7hbi h PHE 97 N -0.32 0.00 -0.60 1.91 0.04 -0.96 -2.27 116.94 114.74 7hbi h PHE 97 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 7hbi h PHE 97 Cb 0.28 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 7hbi h PHE 97 CO -0.00 0.30 0.30 0.00 -0.60 0.00 0.00 178.31 178.31 7hbi h ALA 98 N 1.70 0.77 -0.78 2.45 0.00 -0.38 -2.35 119.26 120.67 7hbi h ALA 98 Ca -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 7hbi h ALA 98 Cb 0.59 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 7hbi h ALA 98 CO 0.04 0.32 0.35 0.28 0.00 0.00 0.00 179.25 180.23 7hbi h VAL 99 N 0.82 1.25 -0.44 0.00 2.07 -0.76 0.17 116.25 119.36 7hbi h VAL 99 Ca 0.21 -0.74 0.10 0.00 0.82 0.00 0.00 66.70 67.09 7hbi h VAL 99 Cb 0.09 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 7hbi h VAL 99 CO -0.03 0.31 0.31 0.78 0.02 0.00 0.00 177.57 178.96 7hbi h ASN 100 N 1.12 0.12 0.37 0.57 -0.26 -1.16 -1.74 115.58 114.60 7hbi h ASN 100 Ca 0.27 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.70 7hbi h ASN 100 Cb 0.15 -0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 7hbi h ASN 100 CO -0.03 0.07 -1.86 1.41 -1.06 0.00 0.00 177.43 175.97 7hbi n HIS 101 N -4.44 0.84 -0.26 1.19 8.25 -0.25 -3.64 115.22 116.90 7hbi n HIS 101 Ca 0.07 0.29 -0.05 0.00 -0.26 0.00 0.00 57.72 57.76 7hbi n HIS 101 Cb 0.42 -1.15 0.06 0.00 1.12 0.00 0.00 29.99 30.43 7hbi n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 7hbi h ILE 102 N 0.01 1.22 0.00 1.59 2.04 -0.31 -1.40 117.51 120.65 7hbi h ILE 102 Ca -0.34 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 7hbi h ILE 102 Cb 2.05 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 7hbi h ILE 102 CO 0.07 0.24 -0.20 0.71 0.00 0.00 0.00 178.15 178.96 7hbi h THR 103 N 1.00 0.69 -0.19 -0.27 1.35 -1.47 -0.81 112.91 113.20 7hbi h THR 103 Ca 0.26 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 7hbi h THR 103 Cb 0.02 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 7hbi h THR 103 CO -0.04 0.20 0.00 0.54 -0.25 0.00 0.00 175.52 175.97 7hbi n ARG 104 N -3.64 1.61 -3.48 4.72 3.00 -0.62 -4.94 116.66 113.32 7hbi n ARG 104 Ca -0.01 -0.93 -0.23 0.00 -0.01 0.00 0.00 57.85 56.66 7hbi n ARG 104 Cb 0.33 -1.31 0.07 0.00 0.00 0.00 0.00 32.46 31.55 7hbi n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 7hbi n LYS 105 N 0.19 -7.34 -3.44 5.56 4.76 -0.31 -4.99 118.16 112.60 7hbi n LYS 105 Ca 0.13 0.84 -0.39 0.00 -2.87 0.00 0.00 58.31 56.02 7hbi n LYS 105 Cb 0.26 -5.84 -0.10 0.00 -1.84 0.00 0.00 35.03 27.51 7hbi n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 7hbi s ILE 106 N -3.29 5.20 0.74 -0.18 -1.09 -0.65 -5.04 121.20 116.90 7hbi s ILE 106 Ca 0.53 0.29 -0.10 0.00 -2.23 0.00 0.00 60.65 59.14 7hbi s ILE 106 Cb -0.23 -3.71 0.05 0.00 -1.58 0.00 0.00 42.46 36.99 7hbi s ILE 106 CO 0.65 0.09 1.10 -0.94 -1.23 0.00 0.00 174.94 174.61 7hbi s SER 107 N 1.70 4.94 0.24 3.58 1.04 -1.26 -4.47 113.70 119.46 7hbi s SER 107 Ca 0.12 0.81 -0.07 0.00 0.48 0.00 0.00 55.95 57.29 7hbi s SER 107 Cb -0.16 -1.46 0.23 0.00 0.10 0.00 0.00 66.02 64.72 7hbi s SER 107 CO 0.11 -1.60 1.90 0.00 0.98 0.00 0.00 173.24 174.62 7hbi h ALA 108 N -0.77 1.20 -0.33 5.32 0.00 -1.86 -0.21 119.26 122.61 7hbi h ALA 108 Ca -0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 7hbi h ALA 108 Cb 1.30 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 7hbi h ALA 108 CO 0.64 0.63 0.17 0.00 0.00 0.00 0.00 179.25 180.69 7hbi h ALA 109 N 1.32 0.42 -0.01 0.00 0.00 -1.94 -1.50 119.26 117.56 7hbi h ALA 109 Ca 0.34 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 7hbi h ALA 109 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 7hbi h ALA 109 CO -0.07 -0.03 -0.54 0.93 0.00 0.00 0.00 179.25 179.54 7hbi h GLU 110 N 0.40 0.02 -0.23 0.00 5.08 -1.82 -2.51 114.58 115.51 7hbi h GLU 110 Ca 0.11 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 7hbi h GLU 110 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 7hbi h GLU 110 CO -0.02 0.56 -0.21 0.35 -1.00 0.00 0.00 179.01 178.69 7hbi h PHE 111 N 0.01 0.46 0.00 4.33 3.04 -0.83 -2.20 116.94 121.76 7hbi h PHE 111 Ca -0.00 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.86 7hbi h PHE 111 Cb 0.97 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.36 7hbi h PHE 111 CO 0.00 0.61 0.00 0.78 -2.02 0.00 0.00 178.31 177.68 7hbi h GLY 112 N 0.97 0.00 2.00 2.40 0.00 -0.81 -2.36 103.07 105.28 7hbi h GLY 112 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 7hbi h GLY 112 CO 0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.86 7hbi n LYS 113 N -3.07 0.11 0.19 4.80 5.02 -0.83 -1.35 118.16 123.04 7hbi n LYS 113 Ca -0.03 0.51 0.14 0.00 -2.02 0.00 0.00 58.31 56.91 7hbi n LYS 113 Cb 0.08 -1.80 0.53 0.00 -0.02 0.00 0.00 35.03 33.83 7hbi n LYS 113 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 7hbi h ILE 114 N 0.00 0.00 -0.18 -0.18 6.09 -1.63 -3.24 117.51 118.36 7hbi h ILE 114 Ca 0.00 -0.41 -0.05 0.00 -1.37 0.00 0.00 64.86 63.03 7hbi h ILE 114 Cb 0.13 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 7hbi h ILE 114 CO 0.00 0.00 -0.10 0.78 -3.07 0.00 0.00 178.15 175.76 7hbi h ASN 115 N 0.00 0.26 0.65 2.19 -0.26 -1.46 -1.68 115.58 115.28 7hbi h ASN 115 Ca 0.00 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 7hbi h ASN 115 Cb 0.50 -0.07 0.01 0.00 -1.06 0.00 0.00 38.32 37.70 7hbi h ASN 115 CO 0.00 0.40 -0.31 1.23 -1.06 0.00 0.00 177.43 177.69 7hbi h GLY 116 N 0.74 -0.91 -0.53 2.83 0.00 -1.78 -1.25 103.07 102.17 7hbi h GLY 116 Ca 0.06 0.34 0.14 0.00 0.00 0.00 0.00 47.33 47.87 7hbi h GLY 116 CO 0.02 -0.33 -0.23 -2.55 0.00 0.00 0.00 176.54 173.44 7hbi h PRO 117 N -1.04 -0.03 -0.46 4.80 0.11 -1.71 -1.57 132.00 132.09 7hbi h PRO 117 Ca -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 7hbi h PRO 117 Cb 0.71 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 7hbi h PRO 117 CO 0.15 -0.02 0.28 0.82 -0.21 0.00 0.00 178.00 179.02 7hbi h ILE 118 N -0.04 1.14 -0.65 4.15 2.04 -1.19 -0.50 117.51 122.47 7hbi h ILE 118 Ca 0.34 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 7hbi h ILE 118 Cb 0.56 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 7hbi h ILE 118 CO -0.78 0.14 0.37 0.50 0.00 0.00 0.00 178.15 178.38 7hbi h LYS 119 N 0.62 0.89 -0.49 2.37 3.64 -0.85 -0.53 116.57 122.21 7hbi h LYS 119 Ca 0.17 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 7hbi h LYS 119 Cb -0.02 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 7hbi h LYS 119 CO -0.03 0.66 0.10 0.87 -2.27 0.00 0.00 179.45 178.78 7hbi h LYS 120 N 0.88 0.81 -0.45 1.90 1.57 -0.75 0.60 116.57 121.12 7hbi h LYS 120 Ca 0.23 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 7hbi h LYS 120 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 7hbi h LYS 120 CO -0.04 0.79 -0.05 0.28 -0.57 0.00 0.00 179.45 179.86 7hbi h VAL 121 N 0.69 1.27 -0.87 0.50 2.07 -0.92 -1.61 116.25 117.37 7hbi h VAL 121 Ca 0.15 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.54 7hbi h VAL 121 Cb 0.36 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 7hbi h VAL 121 CO 0.01 0.39 0.55 -0.07 0.02 0.00 0.00 177.57 178.46 7hbi h LEU 122 N 0.67 1.03 -0.85 2.57 3.38 -0.89 -2.76 115.31 118.47 7hbi h LEU 122 Ca 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 7hbi h LEU 122 Cb 0.57 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 7hbi h LEU 122 CO 0.03 0.78 0.42 0.00 0.09 0.00 0.00 178.44 179.76 7hbi h ALA 123 N 1.30 1.10 0.00 1.53 0.00 -0.49 -0.52 119.26 122.18 7hbi h ALA 123 Ca 0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 7hbi h ALA 123 Cb -0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 7hbi h ALA 123 CO -0.06 0.65 -0.01 0.66 0.00 0.00 0.00 179.25 180.48 7hbi h SER 124 N 1.21 0.00 -0.19 0.00 4.64 -1.02 -1.41 113.55 116.79 7hbi h SER 124 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 7hbi h SER 124 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 7hbi h SER 124 CO -0.04 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 7hbi n LYS 125 N -3.13 2.01 -2.96 4.77 4.01 -0.48 -4.95 118.16 117.43 7hbi n LYS 125 Ca -0.01 -1.50 -0.11 0.00 -0.51 0.00 0.00 58.31 56.17 7hbi n LYS 125 Cb 0.23 -1.45 0.03 0.00 -0.51 0.00 0.00 35.03 33.33 7hbi n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 7hbi n ASN 126 N 0.75 -4.07 -4.16 4.39 2.85 -0.53 -5.04 115.26 109.46 7hbi n ASN 126 Ca 0.17 -0.24 -0.34 0.00 -0.11 0.00 0.00 54.58 54.07 7hbi n ASN 126 Cb 0.44 -2.69 -0.15 0.00 1.24 0.00 0.00 39.78 38.62 7hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 7hbi s PHE 127 N -3.10 3.04 0.00 1.20 0.40 -0.33 -5.00 117.98 114.19 7hbi s PHE 127 Ca 0.26 -1.72 0.00 0.00 -0.60 0.00 0.00 56.93 54.87 7hbi s PHE 127 Cb -0.11 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.41 7hbi s PHE 127 CO 0.32 -0.78 0.00 0.41 0.70 0.00 0.00 175.22 175.88 7hbi n GLY 128 N 4.61 0.25 0.35 4.36 0.00 -1.26 -2.71 105.19 110.78 7hbi n GLY 128 Ca -0.17 -1.79 0.17 0.00 0.00 0.00 0.00 46.02 44.22 7hbi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 7hbi h ASP 129 N 0.00 0.00 -0.61 1.61 5.19 -1.98 -0.26 116.42 120.37 7hbi h ASP 129 Ca 0.00 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.48 7hbi h ASP 129 Cb 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 7hbi h ASP 129 CO 0.00 0.00 0.30 0.50 -3.12 0.00 0.00 179.24 176.92 7hbi h LYS 130 N 0.00 0.53 0.03 3.56 3.64 -1.99 0.13 116.57 122.47 7hbi h LYS 130 Ca 0.18 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.26 7hbi h LYS 130 Cb 0.73 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.45 7hbi h LYS 130 CO -0.00 0.35 -1.07 1.88 -2.27 0.00 0.00 179.45 178.34 7hbi h TYR 131 N 0.54 0.92 -0.76 1.91 0.05 -1.41 -1.92 116.97 116.31 7hbi h TYR 131 Ca 0.29 -0.52 0.02 0.00 0.05 0.00 0.00 58.73 58.56 7hbi h TYR 131 Cb 0.25 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 7hbi h TYR 131 CO -0.11 1.36 0.50 0.00 -1.05 0.00 0.00 178.16 178.86 7hbi h ALA 132 N 0.46 1.49 -0.15 3.88 0.00 -0.96 -1.13 119.26 122.85 7hbi h ALA 132 Ca -0.13 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 7hbi h ALA 132 Cb 1.73 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 7hbi h ALA 132 CO 0.20 0.46 -0.62 -0.91 0.00 0.00 0.00 179.25 178.38 7hbi h ASN 133 N 1.00 0.61 -0.43 0.00 -0.26 -0.60 -0.98 115.58 114.92 7hbi h ASN 133 Ca 0.29 -0.35 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 7hbi h ASN 133 Cb -0.07 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 7hbi h ASN 133 CO -0.07 1.08 0.27 0.00 -1.06 0.00 0.00 177.43 177.65 7hbi h ALA 134 N 0.92 0.55 -0.26 -0.83 0.00 -0.60 -2.35 119.26 116.69 7hbi h ALA 134 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 7hbi h ALA 134 Cb 1.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 7hbi h ALA 134 CO 0.12 0.03 -0.19 -1.49 0.00 0.00 0.00 179.25 177.71 7hbi h TRP 135 N 0.58 0.50 -0.45 0.00 4.06 -1.06 -1.78 115.95 117.80 7hbi h TRP 135 Ca 0.16 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 7hbi h TRP 135 Cb -0.02 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 7hbi h TRP 135 CO -0.04 0.63 0.20 0.00 -3.56 0.00 0.00 178.44 175.67 7hbi h ALA 136 N 1.38 1.51 -0.54 1.49 0.00 -0.81 -0.71 119.26 121.59 7hbi h ALA 136 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 7hbi h ALA 136 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 7hbi h ALA 136 CO 0.04 0.39 -0.12 0.87 0.00 0.00 0.00 179.25 180.43 7hbi h LYS 137 N 0.63 1.02 -0.50 0.00 1.57 -0.81 -0.38 116.57 118.09 7hbi h LYS 137 Ca 0.16 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 7hbi h LYS 137 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 7hbi h LYS 137 CO -0.02 1.07 -0.06 1.25 -0.57 0.00 0.00 179.45 181.11 7hbi h LEU 138 N 0.91 0.93 -1.46 2.94 5.85 -1.17 -2.84 115.31 120.47 7hbi h LEU 138 Ca 0.14 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.54 7hbi h LEU 138 Cb 0.68 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 7hbi h LEU 138 CO 0.05 1.04 0.39 0.58 -0.34 0.00 0.00 178.44 180.16 7hbi h VAL 139 N 0.79 1.10 0.00 1.05 2.07 -0.86 -1.43 116.25 118.97 7hbi h VAL 139 Ca 0.13 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 7hbi h VAL 139 Cb 0.61 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 7hbi h VAL 139 CO 0.04 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.69 7hbi h ALA 140 N 1.65 1.37 -0.40 1.67 0.00 -0.82 -1.08 119.26 121.65 7hbi h ALA 140 Ca 0.23 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 7hbi h ALA 140 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 7hbi h ALA 140 CO -0.06 0.08 -0.19 0.28 0.00 0.00 0.00 179.25 179.36 7hbi h VAL 141 N 0.00 1.28 -0.34 0.00 2.07 -1.18 -1.28 116.25 116.80 7hbi h VAL 141 Ca -0.00 -1.33 -0.17 0.00 0.82 0.00 0.00 66.70 66.02 7hbi h VAL 141 Cb 0.19 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 7hbi h VAL 141 CO 0.01 0.45 -0.44 0.58 0.02 0.00 0.00 177.57 178.18 7hbi h VAL 142 N 0.65 1.27 -0.98 2.57 2.07 -1.35 -2.90 116.25 117.58 7hbi h VAL 142 Ca 0.09 -1.62 0.08 0.00 0.82 0.00 0.00 66.70 66.07 7hbi h VAL 142 Cb 0.75 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 7hbi h VAL 142 CO 0.06 0.54 0.63 1.56 0.02 0.00 0.00 177.57 180.37 7hbi h GLN 143 N 0.70 1.05 0.00 1.57 4.20 -1.10 -1.35 115.11 120.17 7hbi h GLN 143 Ca 0.04 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 7hbi h GLN 143 Cb 1.05 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 7hbi h GLN 143 CO 0.10 0.69 -0.02 0.00 -0.67 0.00 0.00 178.83 178.94 7hbi h ALA 144 N 1.50 1.48 -0.02 3.87 0.00 -1.02 -1.92 119.26 123.15 7hbi h ALA 144 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 7hbi h ALA 144 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 7hbi h ALA 144 CO -0.19 0.03 -0.14 0.00 0.00 0.00 0.00 179.25 178.94 7hbi n ALA 145 N -2.31 2.84 1.34 0.00 0.00 -0.52 -4.40 120.51 117.46 7hbi n ALA 145 Ca -0.03 -0.51 0.13 0.00 0.00 0.00 0.00 53.44 53.03 7hbi n ALA 145 Cb 0.11 -1.03 0.39 0.00 0.00 0.00 0.00 19.45 18.92 7hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78