#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhn n ASN 3 N 0.00 0.00 0.00 0.00 4.13 -1.26 -2.59 115.26 115.54 1bhn n ASN 3 Ca 0.00 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1bhn n ASN 3 Cb 0.00 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1bhn n ASN 3 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1bhn n SER 4 N -1.18 1.25 -4.66 6.41 7.64 -1.26 -3.60 113.62 118.21 1bhn n SER 4 Ca 0.05 -1.32 -0.31 0.00 1.01 0.00 0.00 58.87 58.30 1bhn n SER 4 Cb 0.05 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.43 1bhn n SER 4 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1bhn s GLU 5 N -0.32 0.89 0.06 1.43 2.12 -1.07 -4.76 118.70 117.06 1bhn s GLU 5 Ca 0.00 1.52 -0.11 0.00 0.36 0.00 0.00 54.97 56.74 1bhn s GLU 5 Cb 0.00 -1.72 0.01 0.00 0.26 0.00 0.00 34.13 32.68 1bhn s GLU 5 CO 0.00 -2.71 0.23 1.03 -0.54 0.00 0.00 175.26 173.27 1bhn s ARG 6 N -4.64 0.78 0.05 4.30 0.52 -1.25 -1.19 118.95 117.52 1bhn s ARG 6 Ca 0.67 -0.70 -0.05 0.00 -0.52 0.00 0.00 55.73 55.13 1bhn s ARG 6 Cb -0.23 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.55 1bhn s ARG 6 CO 0.58 -0.25 0.08 -0.08 0.02 0.00 0.00 175.30 175.66 1bhn s THR 7 N -3.01 0.15 -0.28 0.02 -1.32 0.85 -4.65 115.64 107.39 1bhn s THR 7 Ca -0.02 -1.22 -0.12 0.00 -1.21 0.00 0.00 61.69 59.13 1bhn s THR 7 Cb 0.01 -1.03 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 1bhn s THR 7 CO -0.06 -0.67 0.21 0.12 -2.21 0.00 0.00 174.62 172.01 1bhn s PHE 8 N -2.93 3.22 -0.20 9.09 5.36 -1.26 -1.79 117.98 129.47 1bhn s PHE 8 Ca -0.02 0.13 -0.03 0.00 -0.96 0.00 0.00 56.93 56.05 1bhn s PHE 8 Cb 0.01 -2.41 -0.01 0.00 -0.34 0.00 0.00 43.02 40.27 1bhn s PHE 8 CO -0.06 -0.18 -0.07 0.42 -1.46 0.00 0.00 175.22 173.86 1bhn s ILE 9 N 1.79 3.22 -0.03 3.12 -1.09 -0.72 -0.56 121.20 126.93 1bhn s ILE 9 Ca 0.08 -0.55 0.07 0.00 -2.23 0.00 0.00 60.65 58.02 1bhn s ILE 9 Cb -0.16 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.26 1bhn s ILE 9 CO 0.11 0.45 -0.25 0.00 -1.23 0.00 0.00 174.94 174.02 1bhn s ALA 10 N 1.28 2.09 -0.21 9.38 0.00 1.27 0.03 121.76 135.61 1bhn s ALA 10 Ca 0.03 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 1bhn s ALA 10 Cb -0.14 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1bhn s ALA 10 CO -0.03 0.49 0.31 0.42 0.00 0.00 0.00 175.76 176.95 1bhn s ILE 11 N -0.51 5.26 0.79 0.00 1.01 0.15 0.06 121.20 127.96 1bhn s ILE 11 Ca 0.07 0.52 -0.12 0.00 0.00 0.00 0.00 60.65 61.13 1bhn s ILE 11 Cb -0.10 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.79 1bhn s ILE 11 CO -0.00 0.30 1.11 -0.54 0.00 0.00 0.00 174.94 175.81 1bhn s LYS 12 N 1.09 2.17 0.50 2.79 1.02 0.24 -2.42 119.74 125.13 1bhn s LYS 12 Ca 0.15 0.49 0.20 0.00 0.02 0.00 0.00 55.97 56.83 1bhn s LYS 12 Cb -0.14 -1.94 1.26 0.00 -0.52 0.00 0.00 37.83 36.49 1bhn s LYS 12 CO 0.06 -1.53 2.02 -1.35 -0.92 0.00 0.00 175.35 173.63 1bhn h PRO 13 N -1.02 0.12 0.00 -1.68 0.11 -1.82 0.46 132.00 128.18 1bhn h PRO 13 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1bhn h PRO 13 Cb 1.28 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bhn h PRO 13 CO 0.62 0.08 -0.17 0.38 -0.21 0.00 0.00 178.00 178.70 1bhn h ASP 14 N 0.12 0.00 0.23 -2.05 2.03 -1.89 1.04 116.42 115.90 1bhn h ASP 14 Ca 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1bhn h ASP 14 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1bhn h ASP 14 CO -0.02 0.17 -1.35 0.61 -1.03 0.00 0.00 179.24 177.61 1bhn n GLY 15 N -0.16 -1.11 0.12 7.15 0.00 0.16 -3.32 105.19 108.02 1bhn n GLY 15 Ca -0.01 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1bhn n GLY 15 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bhn h VAL 16 N 0.00 0.87 -0.44 1.61 2.07 -1.03 -2.03 116.25 117.30 1bhn h VAL 16 Ca 0.00 -2.25 0.13 0.00 0.82 0.00 0.00 66.70 65.39 1bhn h VAL 16 Cb 0.79 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1bhn h VAL 16 CO 0.00 0.52 0.40 1.56 0.02 0.00 0.00 177.57 180.07 1bhn h GLN 17 N -0.63 0.00 -1.84 1.57 1.08 0.11 -3.00 115.11 112.41 1bhn h GLN 17 Ca -0.36 0.00 -0.71 0.00 -1.45 0.00 0.00 58.65 56.13 1bhn h GLN 17 Cb 1.55 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.66 1bhn h GLN 17 CO -0.09 0.00 0.52 0.54 -0.95 0.00 0.00 178.83 178.85 1bhn n ARG 18 N -3.97 2.96 -2.80 1.46 1.74 -1.21 -4.99 116.66 109.86 1bhn n ARG 18 Ca 0.08 -3.82 0.00 0.00 -0.77 0.00 0.00 57.85 53.34 1bhn n ARG 18 Cb 0.59 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1bhn n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bhn n GLY 19 N -0.53 0.00 1.55 -0.13 0.00 -1.13 -4.68 105.19 100.27 1bhn n GLY 19 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 1bhn n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bhn n LEU 20 N -0.89 4.80 -0.05 0.99 4.77 -0.76 -4.75 117.00 121.11 1bhn n LEU 20 Ca 0.00 -4.15 -0.01 0.00 -0.03 0.00 0.00 56.01 51.82 1bhn n LEU 20 Cb 0.00 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1bhn n LEU 20 CO 0.00 1.55 -0.09 0.40 -1.33 0.00 0.00 177.39 177.92 1bhn h ILE 21 N 1.34 0.00 -1.04 -0.08 2.04 -1.83 -2.47 117.51 115.47 1bhn h ILE 21 Ca 0.31 -0.94 0.26 0.00 1.00 0.00 0.00 64.86 65.49 1bhn h ILE 21 Cb 1.48 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.46 1bhn h ILE 21 CO 0.65 0.00 0.66 1.23 0.00 0.00 0.00 178.15 180.69 1bhn h GLY 22 N -0.94 1.35 0.62 5.37 0.00 -1.98 0.40 103.07 107.89 1bhn h GLY 22 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1bhn h GLY 22 CO 0.00 -0.16 -0.02 0.83 0.00 0.00 0.00 176.54 177.19 1bhn h GLU 23 N 0.43 0.08 -0.69 4.80 4.39 -1.90 0.84 114.58 122.53 1bhn h GLU 23 Ca 0.61 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 60.20 1bhn h GLU 23 Cb 1.47 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.09 1bhn h GLU 23 CO -0.33 0.48 0.14 0.82 -1.16 0.00 0.00 179.01 178.96 1bhn h ILE 24 N -0.31 1.26 -0.19 3.13 2.04 0.14 -1.50 117.51 122.08 1bhn h ILE 24 Ca 0.01 -1.01 -0.14 0.00 1.00 0.00 0.00 64.86 64.71 1bhn h ILE 24 Cb 0.45 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1bhn h ILE 24 CO 0.01 0.38 -0.48 0.40 0.00 0.00 0.00 178.15 178.46 1bhn h ILE 25 N 1.06 1.32 -0.08 -0.67 2.04 -0.56 -2.73 117.51 117.88 1bhn h ILE 25 Ca 0.21 -1.69 -0.05 0.00 1.00 0.00 0.00 64.86 64.33 1bhn h ILE 25 Cb 0.41 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1bhn h ILE 25 CO 0.01 0.53 -0.20 0.50 0.00 0.00 0.00 178.15 178.99 1bhn h LYS 26 N 0.41 0.14 -0.40 2.37 3.64 0.16 0.05 116.57 122.93 1bhn h LYS 26 Ca 0.02 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1bhn h LYS 26 Cb 0.99 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 1bhn h LYS 26 CO 0.09 0.34 0.12 0.00 -2.27 0.00 0.00 179.45 177.72 1bhn h ARG 27 N 0.13 0.26 -0.22 1.90 2.47 -0.98 -1.13 114.38 116.81 1bhn h ARG 27 Ca 0.02 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1bhn h ARG 27 Cb 0.43 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1bhn h ARG 27 CO 0.03 0.17 0.12 0.74 0.56 0.00 0.00 179.97 181.59 1bhn h PHE 28 N 0.26 0.30 -0.32 3.04 -1.00 -1.33 -2.88 116.94 115.02 1bhn h PHE 28 Ca 0.19 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.90 1bhn h PHE 28 Cb 0.19 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1bhn h PHE 28 CO -0.17 0.27 -0.04 0.93 -1.61 0.00 0.00 178.31 177.70 1bhn h GLU 29 N 0.25 0.51 0.00 1.51 5.08 -0.92 -2.53 114.58 118.48 1bhn h GLU 29 Ca 0.08 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1bhn h GLU 29 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1bhn h GLU 29 CO -0.01 0.56 -0.35 -0.56 -1.00 0.00 0.00 179.01 177.65 1bhn h GLN 30 N 0.48 0.00 -0.46 2.33 3.07 -0.98 -2.63 115.11 116.92 1bhn h GLN 30 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.80 1bhn h GLN 30 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 1bhn h GLN 30 CO 0.02 0.15 0.10 -0.22 0.09 0.00 0.00 178.83 178.97 1bhn h LYS 31 N 0.00 0.69 0.00 0.06 1.63 -1.56 -3.46 116.57 113.93 1bhn h LYS 31 Ca -0.01 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1bhn h LYS 31 Cb 1.13 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1bhn h LYS 31 CO 0.02 0.64 0.00 0.41 -3.45 0.00 0.00 179.45 177.07 1bhn n GLY 32 N -0.94 1.17 3.82 5.01 0.00 -0.99 -5.13 105.19 108.13 1bhn n GLY 32 Ca 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1bhn n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bhn s PHE 33 N -2.00 3.21 0.03 1.61 0.08 -0.99 -5.02 117.98 114.91 1bhn s PHE 33 Ca 0.00 1.56 -0.18 0.00 0.12 0.00 0.00 56.93 58.43 1bhn s PHE 33 Cb 0.00 -2.92 -0.06 0.00 -0.57 0.00 0.00 43.02 39.47 1bhn s PHE 33 CO 0.00 -0.49 0.51 0.50 -0.10 0.00 0.00 175.22 175.64 1bhn s ARG 34 N -3.50 4.12 -0.22 0.44 3.52 0.28 -4.56 118.95 119.03 1bhn s ARG 34 Ca 0.63 0.61 -0.23 0.00 -0.13 0.00 0.00 55.73 56.61 1bhn s ARG 34 Cb -0.12 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1bhn s ARG 34 CO 0.22 0.61 0.72 -1.17 -0.81 0.00 0.00 175.30 174.87 1bhn s LEU 35 N -0.92 4.11 -0.21 -0.88 0.20 -1.26 -0.99 118.68 118.73 1bhn s LEU 35 Ca 0.27 0.93 0.02 0.00 0.69 0.00 0.00 54.13 56.04 1bhn s LEU 35 Cb -0.18 -3.03 -0.14 0.00 -0.43 0.00 0.00 46.19 42.40 1bhn s LEU 35 CO 0.16 -0.38 -0.18 0.52 -0.29 0.00 0.00 176.35 176.18 1bhn n VAL 36 N 4.96 1.23 -3.63 1.68 0.31 0.25 -4.93 118.33 118.20 1bhn n VAL 36 Ca 0.02 -0.49 -0.15 0.00 -0.01 0.00 0.00 64.34 63.72 1bhn n VAL 36 Cb 0.49 -1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 32.12 1bhn n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bhn s ALA 37 N -2.43 -1.64 -0.07 3.52 0.00 -0.86 -2.26 121.76 118.02 1bhn s ALA 37 Ca -0.28 1.72 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 1bhn s ALA 37 Cb 0.07 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.40 1bhn s ALA 37 CO 0.51 -0.32 0.60 1.41 0.00 0.00 0.00 175.76 177.95 1bhn s MET 38 N 0.01 0.93 -0.14 0.00 0.00 -1.26 -0.92 119.30 117.93 1bhn s MET 38 Ca -0.02 0.25 -0.27 0.00 0.00 0.00 0.00 55.69 55.65 1bhn s MET 38 Cb -0.04 0.44 0.07 0.00 0.00 0.00 0.00 34.83 35.29 1bhn s MET 38 CO 0.03 -0.26 0.66 -1.59 0.00 0.00 0.00 175.02 173.85 1bhn s LYS 39 N -1.00 0.92 0.14 4.11 -2.85 -0.83 -4.99 119.74 115.24 1bhn s LYS 39 Ca -0.10 0.52 -0.26 0.00 -1.00 0.00 0.00 55.97 55.13 1bhn s LYS 39 Cb -0.02 0.44 -0.07 0.00 -2.06 0.00 0.00 37.83 36.12 1bhn s LYS 39 CO 0.07 -0.22 0.81 0.12 0.10 0.00 0.00 175.35 176.23 1bhn s PHE 40 N -0.53 3.87 -0.27 1.78 5.36 -1.26 -2.49 117.98 124.43 1bhn s PHE 40 Ca -0.06 1.64 -0.38 0.00 -0.96 0.00 0.00 56.93 57.17 1bhn s PHE 40 Cb -0.02 -2.83 0.15 0.00 -0.34 0.00 0.00 43.02 39.98 1bhn s PHE 40 CO 0.06 0.43 1.37 0.00 -1.46 0.00 0.00 175.22 175.61 1bhn s MET 41 N -0.79 0.06 -0.02 10.12 0.23 -0.48 -4.97 119.30 123.44 1bhn s MET 41 Ca 0.38 -0.02 -0.28 0.00 -1.03 0.00 0.00 55.69 54.74 1bhn s MET 41 Cb -0.23 0.03 -0.03 0.00 -1.53 0.00 0.00 34.83 33.07 1bhn s MET 41 CO 0.26 -0.03 0.89 0.50 -2.03 0.00 0.00 175.02 174.62 1bhn s ARG 42 N -2.08 4.52 -0.01 3.16 3.52 -1.26 0.02 118.95 126.82 1bhn s ARG 42 Ca 0.12 1.25 -0.17 0.00 -0.13 0.00 0.00 55.73 56.80 1bhn s ARG 42 Cb -0.00 -3.46 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 1bhn s ARG 42 CO -0.03 -0.02 0.47 0.00 -0.81 0.00 0.00 175.30 174.91 1bhn s ALA 43 N 0.95 3.62 0.22 6.12 0.00 -1.26 -4.99 121.76 126.42 1bhn s ALA 43 Ca 0.47 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 1bhn s ALA 43 Cb -0.20 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.31 1bhn s ALA 43 CO 0.25 0.35 1.49 -1.12 0.00 0.00 0.00 175.76 176.72 1bhn s SER 44 N -0.70 6.62 0.12 0.00 0.01 -1.26 -4.60 113.70 113.90 1bhn s SER 44 Ca 0.26 2.66 -0.25 0.00 1.31 0.00 0.00 55.95 59.92 1bhn s SER 44 Cb -0.17 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.38 1bhn s SER 44 CO 0.14 -0.75 1.43 -0.33 0.41 0.00 0.00 173.24 174.14 1bhn h GLU 45 N 5.64 -0.06 0.00 12.44 5.08 -1.95 1.79 114.58 137.54 1bhn h GLU 45 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1bhn h GLU 45 Cb 1.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1bhn h GLU 45 CO 0.82 -0.04 0.00 -0.25 -1.00 0.00 0.00 179.01 178.55 1bhn n ASP 46 N -4.81 0.00 0.00 1.42 8.00 -1.26 -0.02 116.55 119.88 1bhn n ASP 46 Ca 0.01 -0.24 -0.21 0.00 0.71 0.00 0.00 54.79 55.06 1bhn n ASP 46 Cb 0.22 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.18 1bhn n ASP 46 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1bhn h LEU 47 N 0.00 0.36 0.45 0.64 5.85 0.23 -3.23 115.31 119.61 1bhn h LEU 47 Ca 0.00 -0.84 -0.02 0.00 0.84 0.00 0.00 57.88 57.85 1bhn h LEU 47 Cb 0.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1bhn h LEU 47 CO 0.00 1.62 -0.22 -0.07 -0.34 0.00 0.00 178.44 179.44 1bhn h LEU 48 N -0.32 -0.51 -1.99 2.25 3.38 0.74 -1.61 115.31 117.25 1bhn h LEU 48 Ca -0.31 -0.09 0.26 0.00 0.09 0.00 0.00 57.88 57.83 1bhn h LEU 48 Cb 1.75 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.60 1bhn h LEU 48 CO 0.05 -0.12 0.67 0.11 0.09 0.00 0.00 178.44 179.24 1bhn h LYS 49 N -0.99 0.00 0.05 1.13 1.57 -0.62 0.24 116.57 117.95 1bhn h LYS 49 Ca -0.06 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 1bhn h LYS 49 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1bhn h LYS 49 CO 0.10 0.00 -1.05 1.49 -0.57 0.00 0.00 179.45 179.42 1bhn h GLU 50 N 0.00 0.36 0.00 3.15 4.57 -1.53 -1.12 114.58 120.01 1bhn h GLU 50 Ca 0.43 -0.45 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1bhn h GLU 50 Cb 1.77 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.49 1bhn h GLU 50 CO -0.00 1.14 -0.43 1.25 -1.18 0.00 0.00 179.01 179.78 1bhn h HIS 51 N 0.17 0.00 -0.41 0.92 2.76 0.00 -2.31 115.15 116.28 1bhn h HIS 51 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1bhn h HIS 51 Cb 1.71 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.67 1bhn h HIS 51 CO 0.06 0.43 0.00 0.66 -1.30 0.00 0.00 177.93 177.79 1bhn n TYR 52 N -3.79 0.68 -0.17 5.26 4.01 -0.38 -4.78 117.16 117.99 1bhn n TYR 52 Ca -0.01 -0.56 -0.02 0.00 -0.16 0.00 0.00 57.90 57.15 1bhn n TYR 52 Cb 0.49 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1bhn n TYR 52 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1bhn n ILE 53 N 0.57 -0.24 -0.15 -0.72 0.13 -0.42 -2.02 119.36 116.51 1bhn n ILE 53 Ca 0.16 0.99 -0.05 0.00 -1.10 0.00 0.00 62.75 62.76 1bhn n ILE 53 Cb 0.55 -1.29 -0.04 0.00 -0.84 0.00 0.00 39.64 38.03 1bhn n ILE 53 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 1bhn h ASP 54 N 0.00 -0.85 0.00 9.51 3.32 -1.85 -1.48 116.42 125.07 1bhn h ASP 54 Ca 0.12 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1bhn h ASP 54 Cb 0.23 0.37 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1bhn h ASP 54 CO -0.41 -0.11 -0.08 0.00 -1.72 0.00 0.00 179.24 176.92 1bhn n LEU 55 N -3.89 4.57 0.26 1.55 -0.00 -0.86 -4.12 117.00 114.52 1bhn n LEU 55 Ca 0.00 -2.30 0.13 0.00 -0.00 0.00 0.00 56.01 53.84 1bhn n LEU 55 Cb 0.11 -1.05 0.71 0.00 -0.00 0.00 0.00 43.42 43.20 1bhn n LEU 55 CO -0.05 1.03 0.96 0.50 -0.00 0.00 0.00 177.39 179.84 1bhn h LYS 56 N 2.04 0.00 0.00 1.47 3.64 -1.32 -3.31 116.57 119.09 1bhn h LYS 56 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1bhn h LYS 56 Cb 1.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1bhn h LYS 56 CO 0.08 0.12 -0.70 -0.25 -2.27 0.00 0.00 179.45 176.43 1bhn n ASP 57 N -3.57 1.85 -3.34 4.20 9.92 -1.26 -4.92 116.55 119.44 1bhn n ASP 57 Ca -0.02 0.53 -0.47 0.00 -0.53 0.00 0.00 54.79 54.30 1bhn n ASP 57 Cb 0.26 -0.83 -0.09 0.00 -0.64 0.00 0.00 41.12 39.81 1bhn n ASP 57 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1bhn n ARG 58 N -4.56 0.00 0.00 -1.24 0.63 -1.24 -4.76 116.66 105.49 1bhn n ARG 58 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 1bhn n ARG 58 Cb 0.36 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1bhn n ARG 58 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1bhn n PRO 59 N 5.53 0.00 -0.32 -0.14 -0.02 -1.26 0.15 135.00 138.93 1bhn n PRO 59 Ca 0.41 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.85 1bhn n PRO 59 Cb -0.03 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.53 1bhn n PRO 59 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1bhn h PHE 60 N 0.00 1.11 0.00 6.00 -0.00 -1.93 -3.35 116.94 118.77 1bhn h PHE 60 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.99 1bhn h PHE 60 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 35.95 35.58 1bhn h PHE 60 CO 0.00 0.70 0.00 0.34 -0.00 0.00 0.00 178.31 179.35 1bhn n PHE 61 N -4.47 0.00 -0.34 6.09 7.35 0.40 -0.08 117.46 126.40 1bhn n PHE 61 Ca 0.09 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.88 1bhn n PHE 61 Cb 0.02 -0.00 0.20 0.00 0.35 0.00 0.00 39.48 40.05 1bhn n PHE 61 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bhn h ALA 62 N -0.29 0.88 0.00 3.13 0.00 -1.82 -0.58 119.26 120.58 1bhn h ALA 62 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1bhn h ALA 62 Cb 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1bhn h ALA 62 CO 0.00 -0.47 -0.35 0.78 0.00 0.00 0.00 179.25 179.21 1bhn h GLY 63 N 0.01 0.00 0.98 0.00 0.00 -0.73 -2.37 103.07 100.95 1bhn h GLY 63 Ca 0.53 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.86 1bhn h GLY 63 CO -0.96 0.00 0.19 -2.00 0.00 0.00 0.00 176.54 173.77 1bhn h LEU 64 N 0.00 0.32 0.65 3.11 5.85 0.43 -1.57 115.31 124.10 1bhn h LEU 64 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1bhn h LEU 64 Cb 0.67 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.63 1bhn h LEU 64 CO 0.05 0.24 -0.31 0.58 -0.34 0.00 0.00 178.44 178.65 1bhn h VAL 65 N 0.39 0.29 -0.73 1.05 2.07 -0.90 0.50 116.25 118.93 1bhn h VAL 65 Ca 0.11 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1bhn h VAL 65 Cb -0.03 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1bhn h VAL 65 CO -0.03 0.02 0.46 0.50 0.02 0.00 0.00 177.57 178.54 1bhn h LYS 66 N -1.01 0.89 0.28 1.57 3.64 -1.53 0.13 116.57 120.54 1bhn h LYS 66 Ca -0.09 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1bhn h LYS 66 Cb 0.70 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1bhn h LYS 66 CO 0.15 0.59 -0.14 -0.92 -2.27 0.00 0.00 179.45 176.86 1bhn h TYR 67 N 0.92 -0.35 -0.16 1.91 3.20 -1.18 0.37 116.97 121.67 1bhn h TYR 67 Ca 0.29 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.19 1bhn h TYR 67 Cb -0.02 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1bhn h TYR 67 CO -0.03 -0.05 0.29 0.52 -1.64 0.00 0.00 178.16 177.24 1bhn h MET 68 N -0.64 0.00 0.00 1.82 2.86 0.39 -0.93 114.93 118.43 1bhn h MET 68 Ca -0.04 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1bhn h MET 68 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1bhn h MET 68 CO 0.06 0.00 -1.20 1.25 1.06 0.00 0.00 176.91 178.08 1bhn h HIS 69 N 0.00 0.00 0.00 -0.22 -0.00 0.12 -3.38 115.15 111.66 1bhn h HIS 69 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1bhn h HIS 69 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1bhn h HIS 69 CO 0.00 0.37 0.16 -1.13 -0.00 0.00 0.00 177.93 177.33 1bhn n SER 70 N -2.84 0.16 -3.64 3.26 3.41 0.11 -4.72 113.62 109.37 1bhn n SER 70 Ca -0.06 0.47 0.01 0.00 -0.26 0.00 0.00 58.87 59.03 1bhn n SER 70 Cb 0.73 -0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 1bhn n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1bhn s GLY 71 N -2.95 -0.38 0.83 5.00 0.00 -1.26 -5.11 107.32 103.45 1bhn s GLY 71 Ca -0.01 0.63 -0.12 0.00 0.00 0.00 0.00 44.72 45.23 1bhn s GLY 71 CO 0.06 0.11 1.16 2.56 0.00 0.00 0.00 173.10 177.00 1bhn s PRO 72 N -2.57 1.57 0.34 2.90 0.04 -1.26 -4.62 135.00 131.40 1bhn s PRO 72 Ca 0.14 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1bhn s PRO 72 Cb 0.04 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 1bhn s PRO 72 CO -0.03 -2.23 0.07 0.14 0.04 0.00 0.00 177.00 174.99 1bhn s VAL 73 N -2.44 1.06 -0.15 -0.36 -7.23 0.10 -3.57 120.40 107.81 1bhn s VAL 73 Ca 0.69 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1bhn s VAL 73 Cb -0.24 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.02 1bhn s VAL 73 CO 0.53 0.00 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.42 1bhn s VAL 74 N -3.29 2.10 -0.13 1.32 1.01 -1.02 -1.38 120.40 119.02 1bhn s VAL 74 Ca 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1bhn s VAL 74 Cb 0.07 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1bhn s VAL 74 CO 0.15 0.54 -0.15 0.00 0.00 0.00 0.00 175.10 175.65 1bhn s ALA 75 N 0.96 2.55 0.29 5.51 0.00 -1.04 0.30 121.76 130.33 1bhn s ALA 75 Ca -0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1bhn s ALA 75 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1bhn s ALA 75 CO -0.05 0.22 0.34 -1.64 0.00 0.00 0.00 175.76 174.63 1bhn s MET 76 N 0.41 1.63 -0.11 0.00 1.00 0.10 -1.96 119.30 120.37 1bhn s MET 76 Ca -0.11 -1.70 -0.08 0.00 0.00 0.00 0.00 55.69 53.80 1bhn s MET 76 Cb -0.16 0.38 0.03 0.00 0.00 0.00 0.00 34.83 35.08 1bhn s MET 76 CO 0.05 -0.63 0.27 0.08 0.00 0.00 0.00 175.02 174.79 1bhn s VAL 77 N -3.60 -0.02 -0.04 -6.03 1.01 -0.10 -1.76 120.40 109.87 1bhn s VAL 77 Ca 0.34 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1bhn s VAL 77 Cb 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1bhn s VAL 77 CO 0.18 0.02 -0.09 0.26 0.00 0.00 0.00 175.10 175.47 1bhn s TRP 78 N 0.60 1.07 -0.14 5.22 0.52 -0.74 0.87 118.94 126.33 1bhn s TRP 78 Ca -0.04 -0.31 -0.01 0.00 0.02 0.00 0.00 56.10 55.76 1bhn s TRP 78 Cb -0.05 -0.79 -0.02 0.00 -1.15 0.00 0.00 33.47 31.46 1bhn s TRP 78 CO -0.03 -0.16 -0.10 -2.00 0.02 0.00 0.00 176.95 174.67 1bhn s GLU 79 N 0.45 3.47 -0.03 4.98 2.12 -0.16 -0.11 118.70 129.43 1bhn s GLU 79 Ca -0.08 -0.63 -0.31 0.00 0.36 0.00 0.00 54.97 54.31 1bhn s GLU 79 Cb -0.12 -2.73 0.12 0.00 0.26 0.00 0.00 34.13 31.67 1bhn s GLU 79 CO 0.01 0.21 1.31 0.20 -0.54 0.00 0.00 175.26 176.45 1bhn s GLY 80 N 0.39 -0.42 -0.44 -1.50 0.00 -0.33 0.99 107.32 106.01 1bhn s GLY 80 Ca -0.08 0.71 -0.27 0.00 0.00 0.00 0.00 44.72 45.07 1bhn s GLY 80 CO 0.05 0.31 2.37 -0.10 0.00 0.00 0.00 173.10 175.73 1bhn n LEU 81 N -0.51 2.44 0.00 0.66 7.94 -1.24 -1.63 117.00 124.66 1bhn n LEU 81 Ca -0.08 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 1bhn n LEU 81 Cb 0.63 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 43.06 1bhn n LEU 81 CO 0.12 -1.25 0.00 0.59 -1.11 0.00 0.00 177.39 175.74 1bhn n ASN 82 N 14.16 -1.48 -0.28 1.96 3.02 -1.23 -4.93 115.26 126.47 1bhn n ASN 82 Ca 0.37 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 55.18 1bhn n ASN 82 Cb 0.47 -0.25 0.46 0.00 -0.61 0.00 0.00 39.78 39.85 1bhn n ASN 82 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1bhn n VAL 83 N -2.49 -0.25 0.16 2.41 0.24 -0.65 -1.99 118.33 115.76 1bhn n VAL 83 Ca 0.00 1.40 -0.14 0.00 -2.04 0.00 0.00 64.34 63.56 1bhn n VAL 83 Cb 0.00 -2.28 -0.08 0.00 -1.47 0.00 0.00 33.84 30.01 1bhn n VAL 83 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1bhn h VAL 84 N 0.00 0.76 0.15 3.34 2.07 -1.85 -0.18 116.25 120.53 1bhn h VAL 84 Ca 0.63 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1bhn h VAL 84 Cb 1.82 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1bhn h VAL 84 CO -0.46 0.08 -0.07 0.11 0.02 0.00 0.00 177.57 177.25 1bhn h LYS 85 N -0.58 -0.19 -0.14 1.57 1.79 -1.71 -3.17 116.57 114.15 1bhn h LYS 85 Ca -0.04 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1bhn h LYS 85 Cb 0.42 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1bhn h LYS 85 CO 0.06 0.11 -0.02 1.15 -1.08 0.00 0.00 179.45 179.67 1bhn h THR 86 N -0.48 1.11 0.00 -0.16 2.02 -1.50 -1.89 112.91 112.00 1bhn h THR 86 Ca -0.02 -0.44 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 1bhn h THR 86 Cb 0.38 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1bhn h THR 86 CO 0.03 0.14 -0.51 1.23 0.37 0.00 0.00 175.52 176.79 1bhn h GLY 87 N 0.48 0.00 1.16 2.16 0.00 -1.10 -1.28 103.07 104.50 1bhn h GLY 87 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.05 1bhn h GLY 87 CO 0.01 0.00 -1.58 3.21 0.00 0.00 0.00 176.54 178.18 1bhn h ARG 88 N 0.00 0.39 -0.74 4.80 3.08 -1.33 -2.43 114.38 118.15 1bhn h ARG 88 Ca -0.01 -0.67 0.01 0.00 0.07 0.00 0.00 59.98 59.39 1bhn h ARG 88 Cb 1.06 0.25 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 1bhn h ARG 88 CO 0.07 1.29 0.49 0.28 -1.07 0.00 0.00 179.97 181.03 1bhn h VAL 89 N 0.11 1.19 0.00 2.04 2.07 -1.48 2.04 116.25 122.21 1bhn h VAL 89 Ca -0.28 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1bhn h VAL 89 Cb 2.09 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1bhn h VAL 89 CO 0.20 0.18 0.00 0.24 0.02 0.00 0.00 177.57 178.22 1bhn h MET 90 N 1.01 0.00 0.04 1.57 2.86 -1.12 -3.08 114.93 116.21 1bhn h MET 90 Ca 0.27 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.77 1bhn h MET 90 Cb -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1bhn h MET 90 CO -0.06 0.00 -0.74 -0.07 1.06 0.00 0.00 176.91 177.11 1bhn h LEU 91 N 0.00 0.14 0.00 1.22 4.07 -0.07 -2.85 115.31 117.82 1bhn h LEU 91 Ca 0.00 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.13 1bhn h LEU 91 Cb 0.50 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1bhn h LEU 91 CO 0.00 1.31 0.00 0.61 -1.08 0.00 0.00 178.44 179.28 1bhn n GLY 92 N 1.60 -0.43 3.74 0.83 0.00 0.66 -2.10 105.19 109.49 1bhn n GLY 92 Ca -0.19 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.22 1bhn n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bhn s GLU 93 N 0.00 4.48 0.21 1.61 0.41 -1.26 -4.67 118.70 119.48 1bhn s GLU 93 Ca 0.00 1.92 -0.18 0.00 -0.41 0.00 0.00 54.97 56.31 1bhn s GLU 93 Cb 0.00 -3.21 0.19 0.00 -1.78 0.00 0.00 34.13 29.33 1bhn s GLU 93 CO 0.00 -0.08 1.59 1.15 -0.49 0.00 0.00 175.26 177.43 1bhn h THR 94 N 3.61 0.18 -3.07 3.63 2.02 -1.95 -3.32 112.91 114.00 1bhn h THR 94 Ca -0.45 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.16 1bhn h THR 94 Cb 1.21 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1bhn h THR 94 CO 0.73 0.00 1.10 0.21 0.37 0.00 0.00 175.52 177.93 1bhn s ASN 95 N -5.21 6.32 0.48 4.18 3.84 -1.26 -4.78 114.94 118.51 1bhn s ASN 95 Ca -0.14 1.10 0.29 0.00 0.21 0.00 0.00 52.86 54.31 1bhn s ASN 95 Cb 0.18 -2.54 1.55 0.00 -0.55 0.00 0.00 41.25 39.90 1bhn s ASN 95 CO 0.71 -1.40 1.86 -0.65 -2.79 0.00 0.00 177.10 174.84 1bhn h PRO 96 N 10.85 0.00 0.00 0.43 0.11 -1.74 0.47 132.00 142.12 1bhn h PRO 96 Ca -0.29 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 1bhn h PRO 96 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1bhn h PRO 96 CO 1.05 0.00 -0.46 0.00 -0.21 0.00 0.00 178.00 178.39 1bhn h ALA 97 N 1.77 0.73 -0.01 -0.75 0.00 -1.88 -2.93 119.26 116.19 1bhn h ALA 97 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1bhn h ALA 97 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bhn h ALA 97 CO 0.00 0.57 -0.39 -0.25 0.00 0.00 0.00 179.25 179.18 1bhn n ASP 98 N -3.26 1.87 -4.74 0.00 8.00 0.16 -4.96 116.55 113.62 1bhn n ASP 98 Ca 0.02 -1.43 -0.41 0.00 0.71 0.00 0.00 54.79 53.67 1bhn n ASP 98 Cb 0.69 0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 42.21 1bhn n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1bhn s SER 99 N -2.17 7.16 0.39 -2.24 0.01 -1.07 -4.73 113.70 111.06 1bhn s SER 99 Ca 0.16 2.20 -0.15 0.00 1.31 0.00 0.00 55.95 59.47 1bhn s SER 99 Cb 0.16 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1bhn s SER 99 CO 0.48 -0.30 0.82 -0.54 0.41 0.00 0.00 173.24 174.11 1bhn s LYS 100 N -0.47 3.99 0.62 12.44 -0.14 -1.26 -4.43 119.74 130.49 1bhn s LYS 100 Ca 0.51 0.76 -0.19 0.00 -1.36 0.00 0.00 55.97 55.68 1bhn s LYS 100 Cb -0.32 -2.33 -0.02 0.00 -1.68 0.00 0.00 37.83 33.48 1bhn s LYS 100 CO 0.37 0.01 1.31 -2.14 -0.76 0.00 0.00 175.35 174.15 1bhn s PRO 101 N -3.37 2.74 0.00 -1.68 0.02 -1.26 -2.29 135.00 129.15 1bhn s PRO 101 Ca 0.56 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1bhn s PRO 101 Cb -0.10 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1bhn s PRO 101 CO 0.22 -1.47 0.00 0.41 -0.33 0.00 0.00 177.00 175.83 1bhn n GLY 102 N 0.84 3.19 3.93 0.52 0.00 -1.26 -4.95 105.19 107.45 1bhn n GLY 102 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1bhn n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bhn s THR 103 N -2.92 5.08 0.08 2.61 -4.23 -0.97 -4.95 115.64 110.34 1bhn s THR 103 Ca 0.00 -0.26 -0.34 0.00 -1.18 0.00 0.00 61.69 59.91 1bhn s THR 103 Cb 0.00 -3.81 -0.17 0.00 1.34 0.00 0.00 72.50 69.86 1bhn s THR 103 CO 0.00 -0.45 1.59 0.40 -0.54 0.00 0.00 174.62 175.62 1bhn h ILE 104 N 1.01 0.16 -0.57 2.99 1.08 -1.46 0.41 117.51 121.13 1bhn h ILE 104 Ca -0.49 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 63.93 1bhn h ILE 104 Cb 1.21 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 1bhn h ILE 104 CO 0.64 0.00 0.16 0.03 -0.69 0.00 0.00 178.15 178.29 1bhn h ARG 105 N -1.00 0.89 -0.64 2.37 3.08 -1.71 0.46 114.38 117.84 1bhn h ARG 105 Ca -0.08 -0.20 0.12 0.00 0.07 0.00 0.00 59.98 59.89 1bhn h ARG 105 Cb 0.82 -0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.62 1bhn h ARG 105 CO 0.06 0.82 -0.21 0.78 -1.07 0.00 0.00 179.97 180.34 1bhn h GLY 106 N 0.80 0.31 2.00 0.04 0.00 -1.54 0.48 103.07 105.16 1bhn h GLY 106 Ca 0.18 0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 1bhn h GLY 106 CO -0.00 -0.24 -0.65 -0.55 0.00 0.00 0.00 176.54 175.10 1bhn h ASP 107 N -0.05 0.00 0.00 0.19 5.19 -0.08 -3.40 116.42 118.27 1bhn h ASP 107 Ca 0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1bhn h ASP 107 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1bhn h ASP 107 CO -0.68 0.65 0.00 0.49 -3.12 0.00 0.00 179.24 176.58 1bhn n PHE 108 N -3.42 0.00 -3.82 4.55 3.72 0.48 -5.06 117.46 113.91 1bhn n PHE 108 Ca 0.00 -0.17 -0.05 0.00 -0.05 0.00 0.00 57.45 57.19 1bhn n PHE 108 Cb 0.73 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 1bhn n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bhn n ILE 110 N -0.55 0.00 -4.28 0.00 5.41 -1.26 -4.69 119.36 113.99 1bhn n ILE 110 Ca -0.05 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.35 1bhn n ILE 110 Cb 0.60 -0.42 -0.09 0.00 -0.71 0.00 0.00 39.64 39.02 1bhn n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1bhn s GLN 111 N -1.59 3.05 0.13 0.38 0.74 -1.26 -3.97 119.66 117.14 1bhn s GLN 111 Ca 0.00 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 54.74 1bhn s GLN 111 Cb 0.00 -2.85 -0.06 0.00 1.10 0.00 0.00 33.01 31.20 1bhn s GLN 111 CO 0.00 0.71 1.58 -0.39 -0.55 0.00 0.00 175.29 176.64 1bhn h VAL 112 N 4.05 0.12 0.00 1.34 -1.51 -1.95 -0.42 116.25 117.88 1bhn h VAL 112 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1bhn h VAL 112 Cb 1.20 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1bhn h VAL 112 CO 0.55 0.00 0.49 1.23 -1.23 0.00 0.00 177.57 178.61 1bhn h GLY 113 N -0.49 0.00 -5.91 5.19 0.00 -1.95 -1.53 103.07 98.37 1bhn h GLY 113 Ca 0.08 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.90 1bhn h GLY 113 CO -0.43 0.00 -1.10 0.54 0.00 0.00 0.00 176.54 175.56 1bhn n ARG 114 N -2.29 1.27 -0.40 4.80 5.12 -0.17 -4.94 116.66 120.04 1bhn n ARG 114 Ca -0.01 -3.58 0.05 0.00 -1.93 0.00 0.00 57.85 52.38 1bhn n ARG 114 Cb 0.51 -1.71 0.22 0.00 -1.16 0.00 0.00 32.46 30.31 1bhn n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1bhn n ASN 115 N 0.41 3.17 0.00 0.55 0.23 -0.58 -4.48 115.26 114.56 1bhn n ASN 115 Ca 0.25 -2.32 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 1bhn n ASN 115 Cb 0.60 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1bhn n ASN 115 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1bhn n ILE 116 N 0.52 0.00 -3.72 1.53 -5.35 -1.26 -4.80 119.36 106.28 1bhn n ILE 116 Ca 0.15 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.59 1bhn n ILE 116 Cb 0.63 -0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.49 1bhn n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1bhn s ILE 117 N -0.28 0.00 -0.15 7.28 2.07 -1.26 0.83 121.20 129.69 1bhn s ILE 117 Ca 0.00 -0.58 -0.10 0.00 -1.41 0.00 0.00 60.65 58.56 1bhn s ILE 117 Cb 0.00 -1.83 0.05 0.00 0.13 0.00 0.00 42.46 40.81 1bhn s ILE 117 CO 0.00 0.00 0.36 -2.28 -1.91 0.00 0.00 174.94 171.11 1bhn s HIS 118 N -3.34 -0.48 -0.03 3.50 5.65 0.11 -4.84 115.29 115.86 1bhn s HIS 118 Ca 0.11 1.08 0.05 0.00 0.25 0.00 0.00 55.06 56.55 1bhn s HIS 118 Cb -0.02 0.18 -0.01 0.00 -1.18 0.00 0.00 32.58 31.55 1bhn s HIS 118 CO 0.01 -0.27 -0.18 0.20 -0.65 0.00 0.00 174.74 173.85 1bhn s GLY 119 N 0.91 0.94 -0.39 1.59 0.00 -1.25 0.39 107.32 109.51 1bhn s GLY 119 Ca -0.06 -0.75 -0.41 0.00 0.00 0.00 0.00 44.72 43.50 1bhn s GLY 119 CO -0.07 -0.48 1.92 -1.26 0.00 0.00 0.00 173.10 173.22 1bhn n SER 120 N 2.96 1.69 0.17 1.64 2.88 0.28 -4.92 113.62 118.31 1bhn n SER 120 Ca -0.17 0.85 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 1bhn n SER 120 Cb 0.53 -1.06 0.21 0.00 -0.75 0.00 0.00 64.21 63.15 1bhn n SER 120 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1bhn h ASP 121 N 8.43 0.00 -4.06 -3.46 2.03 -1.91 -3.45 116.42 114.01 1bhn h ASP 121 Ca -0.32 -0.01 -0.35 0.00 -0.73 0.00 0.00 57.03 55.61 1bhn h ASP 121 Cb 1.35 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.71 1bhn h ASP 121 CO 1.01 0.01 -0.66 -0.94 -1.03 0.00 0.00 179.24 177.63 1bhn s SER 122 N -5.53 1.65 0.13 4.15 1.04 -1.26 -4.93 113.70 108.95 1bhn s SER 122 Ca 0.07 -1.20 0.26 0.00 0.48 0.00 0.00 55.95 55.56 1bhn s SER 122 Cb 0.08 0.04 0.97 0.00 0.10 0.00 0.00 66.02 67.21 1bhn s SER 122 CO 0.67 -0.52 1.81 1.33 0.98 0.00 0.00 173.24 177.50 1bhn n VAL 123 N -0.36 0.42 0.17 5.02 0.24 -1.26 0.64 118.33 123.20 1bhn n VAL 123 Ca -0.06 -0.11 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 1bhn n VAL 123 Cb 0.64 -0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 32.35 1bhn n VAL 123 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1bhn h GLU 124 N 0.00 -0.46 -0.99 7.34 3.07 -1.96 -2.47 114.58 119.11 1bhn h GLU 124 Ca 0.00 0.03 0.35 0.00 -0.50 0.00 0.00 59.36 59.24 1bhn h GLU 124 Cb 0.59 0.10 -0.17 0.00 -0.84 0.00 0.00 28.75 28.44 1bhn h GLU 124 CO 0.00 -0.31 0.46 0.77 -1.40 0.00 0.00 179.01 178.53 1bhn h SER 125 N -0.80 0.26 -0.01 1.42 0.02 -1.93 1.84 113.55 114.36 1bhn h SER 125 Ca -0.05 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1bhn h SER 125 Cb 0.37 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1bhn h SER 125 CO 0.08 -0.30 -0.08 0.00 -1.14 0.00 0.00 176.83 175.39 1bhn h ALA 126 N 1.93 -0.52 -0.66 3.77 0.00 0.30 0.98 119.26 125.06 1bhn h ALA 126 Ca 0.75 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.70 1bhn h ALA 126 Cb 1.83 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 20.19 1bhn h ALA 126 CO -0.72 -0.54 0.43 0.93 0.00 0.00 0.00 179.25 179.35 1bhn h GLU 127 N -0.09 0.70 -0.27 0.00 4.39 0.29 0.72 114.58 120.32 1bhn h GLU 127 Ca 0.00 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1bhn h GLU 127 Cb 0.10 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1bhn h GLU 127 CO -0.06 0.46 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.01 1bhn h LYS 128 N 0.72 0.50 0.00 2.33 3.64 0.92 -2.94 116.57 121.73 1bhn h LYS 128 Ca 0.27 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1bhn h LYS 128 Cb 0.17 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1bhn h LYS 128 CO -0.08 0.67 -0.55 0.93 -2.27 0.00 0.00 179.45 178.15 1bhn h GLU 129 N 0.27 0.00 -0.54 1.90 5.08 0.25 -2.44 114.58 119.10 1bhn h GLU 129 Ca 0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1bhn h GLU 129 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1bhn h GLU 129 CO 0.02 0.55 0.04 0.82 -1.00 0.00 0.00 179.01 179.44 1bhn h ILE 130 N 0.00 1.25 0.41 3.13 2.04 0.41 -2.18 117.51 122.57 1bhn h ILE 130 Ca -0.01 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1bhn h ILE 130 Cb 1.03 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1bhn h ILE 130 CO 0.07 0.36 -0.34 0.00 0.00 0.00 0.00 178.15 178.24 1bhn h ALA 131 N 1.21 -1.07 -0.72 1.87 0.00 -1.26 3.92 119.26 123.20 1bhn h ALA 131 Ca 0.16 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1bhn h ALA 131 Cb 0.44 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1bhn h ALA 131 CO 0.02 -1.07 -0.42 1.25 0.00 0.00 0.00 179.25 179.02 1bhn h LEU 132 N -0.73 -1.49 0.00 0.00 6.46 -1.48 -1.58 115.31 116.50 1bhn h LEU 132 Ca -0.05 0.27 -0.22 0.00 -0.12 0.00 0.00 57.88 57.75 1bhn h LEU 132 Cb 0.62 0.71 -0.03 0.00 -0.73 0.00 0.00 40.66 41.22 1bhn h LEU 132 CO -0.00 -0.31 -1.16 -0.50 -0.62 0.00 0.00 178.44 175.85 1bhn h TRP 133 N -0.14 0.00 -3.85 1.25 4.06 -1.12 -3.46 115.95 112.70 1bhn h TRP 133 Ca 0.23 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.61 1bhn h TRP 133 Cb 0.56 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 28.50 1bhn h TRP 133 CO -0.77 0.93 -0.83 -0.06 -3.56 0.00 0.00 178.44 174.15 1bhn s PHE 134 N -2.72 1.86 -0.13 0.49 0.40 1.29 -5.06 117.98 114.11 1bhn s PHE 134 Ca -0.00 -0.42 -0.19 0.00 -0.60 0.00 0.00 56.93 55.72 1bhn s PHE 134 Cb 0.09 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 1bhn s PHE 134 CO 0.81 0.24 0.50 -1.01 0.70 0.00 0.00 175.22 176.46 1bhn s HIS 135 N -1.26 3.48 0.21 0.36 3.76 -1.26 -4.58 115.29 116.01 1bhn s HIS 135 Ca 0.08 0.89 0.08 0.00 -0.15 0.00 0.00 55.06 55.96 1bhn s HIS 135 Cb -0.09 -2.60 0.43 0.00 1.11 0.00 0.00 32.58 31.43 1bhn s HIS 135 CO 0.05 0.10 1.09 -1.35 -0.85 0.00 0.00 174.74 173.77 1bhn h PRO 136 N 6.90 0.00 -0.01 8.40 0.11 -1.93 1.11 132.00 146.59 1bhn h PRO 136 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1bhn h PRO 136 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1bhn h PRO 136 CO 0.75 0.00 -0.60 -0.85 -0.21 0.00 0.00 178.00 177.09 1bhn n GLU 137 N -1.99 0.46 0.00 1.05 -0.00 -1.26 -3.21 120.64 115.68 1bhn n GLU 137 Ca -0.01 -0.34 0.11 0.00 -0.00 0.00 0.00 57.16 56.92 1bhn n GLU 137 Cb 0.53 -1.49 0.63 0.00 -0.00 0.00 0.00 31.44 31.11 1bhn n GLU 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1bhn n GLU 138 N -0.98 0.78 -3.51 3.44 1.02 0.38 -4.55 120.64 117.23 1bhn n GLU 138 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 1bhn n GLU 138 Cb 0.37 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 1bhn n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bhn s LEU 139 N -1.85 5.45 0.54 -4.62 1.02 -1.20 -4.44 118.68 113.58 1bhn s LEU 139 Ca 0.32 -1.52 -0.18 0.00 0.02 0.00 0.00 54.13 52.77 1bhn s LEU 139 Cb 0.15 -2.07 -0.06 0.00 0.02 0.00 0.00 46.19 44.22 1bhn s LEU 139 CO 0.25 -0.62 1.04 -0.69 0.02 0.00 0.00 176.35 176.35 1bhn s VAL 140 N 1.50 3.89 -0.19 -1.59 1.01 -0.96 -5.05 120.40 119.02 1bhn s VAL 140 Ca 0.04 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 1bhn s VAL 140 Cb -0.24 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1bhn s VAL 140 CO 0.03 -0.41 0.00 0.21 0.00 0.00 0.00 175.10 174.93 1bhn s ASN 141 N -2.48 3.01 0.29 3.32 3.04 -1.26 -4.83 114.94 116.02 1bhn s ASN 141 Ca 0.65 -0.83 -0.02 0.00 0.04 0.00 0.00 52.86 52.70 1bhn s ASN 141 Cb -0.15 -0.75 -0.01 0.00 -1.54 0.00 0.00 41.25 38.79 1bhn s ASN 141 CO 0.29 -0.27 0.36 -0.72 -3.04 0.00 0.00 177.10 173.72 1bhn s TYR 142 N 1.74 1.08 -0.20 0.43 1.13 -1.26 -5.14 117.35 115.13 1bhn s TYR 142 Ca -0.01 -1.28 0.01 0.00 -1.41 0.00 0.00 57.07 54.38 1bhn s TYR 142 Cb -0.17 -0.26 0.04 0.00 -1.10 0.00 0.00 41.96 40.47 1bhn s TYR 142 CO -0.07 -0.94 -0.10 0.21 -2.51 0.00 0.00 175.55 172.13 1bhn s LYS 143 N -3.57 2.00 0.50 -3.49 2.47 -1.26 -5.10 119.74 111.29 1bhn s LYS 143 Ca 0.33 -0.87 -0.23 0.00 -1.56 0.00 0.00 55.97 53.64 1bhn s LYS 143 Cb 0.02 -2.44 -0.07 0.00 -1.46 0.00 0.00 37.83 33.87 1bhn s LYS 143 CO 0.18 -0.45 1.22 0.43 0.16 0.00 0.00 175.35 176.89 1bhn n SER 144 N 4.68 2.17 0.00 1.43 7.64 -1.26 -4.89 113.62 123.39 1bhn n SER 144 Ca -0.14 1.00 0.14 0.00 1.01 0.00 0.00 58.87 60.88 1bhn n SER 144 Cb 0.46 -1.49 0.72 0.00 -1.01 0.00 0.00 64.21 62.89 1bhn n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bhn n ALA 146 N -1.33 2.42 -0.28 0.00 0.00 -1.26 -4.69 120.51 115.38 1bhn n ALA 146 Ca 0.13 -0.75 0.28 0.00 0.00 0.00 0.00 53.44 53.10 1bhn n ALA 146 Cb 0.25 -0.55 0.65 0.00 0.00 0.00 0.00 19.45 19.80 1bhn n ALA 146 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bhn h GLN 147 N 3.05 0.15 0.00 0.00 4.15 -1.94 0.81 115.11 121.33 1bhn h GLN 147 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1bhn h GLN 147 Cb 0.70 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1bhn h GLN 147 CO 0.00 0.10 -0.43 0.27 -1.93 0.00 0.00 178.83 176.84 1bhn n ASN 148 N -4.37 0.43 -0.01 -0.69 2.04 -1.26 0.13 115.26 111.53 1bhn n ASN 148 Ca 0.23 -0.15 0.06 0.00 -0.44 0.00 0.00 54.58 54.29 1bhn n ASN 148 Cb 1.02 0.15 -0.11 0.00 -2.53 0.00 0.00 39.78 38.30 1bhn n ASN 148 CO 0.00 0.00 0.00 0.79 -0.44 0.00 0.00 177.26 177.61 1bhn n TRP 149 N -1.50 0.00 0.57 -2.53 7.02 0.15 -4.16 117.44 116.99 1bhn n TRP 149 Ca 0.06 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.65 1bhn n TRP 149 Cb 0.34 -0.37 0.11 0.00 -2.42 0.00 0.00 31.31 28.96 1bhn n TRP 149 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1bhn n ILE 150 N -2.06 0.28 -3.67 -0.99 5.41 0.23 -4.93 119.36 113.62 1bhn n ILE 150 Ca -0.05 -0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.31 1bhn n ILE 150 Cb 0.44 0.01 -0.07 0.00 -0.71 0.00 0.00 39.64 39.32 1bhn n ILE 150 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1bhn s TYR 151 N -3.18 -0.29 -2.97 1.39 2.02 0.35 -5.03 117.35 109.65 1bhn s TYR 151 Ca 0.05 0.32 0.24 0.00 -0.37 0.00 0.00 57.07 57.32 1bhn s TYR 151 Cb 0.14 0.21 0.24 0.00 -0.40 0.00 0.00 41.96 42.15 1bhn s TYR 151 CO 0.75 -0.54 1.29 -0.85 -1.57 0.00 0.00 175.55 174.63