#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 3.28 -0.60 0.00 3.02 -1.26 -3.35 115.26 116.35 1bhn n ASN 3 Ca 0.00 -2.13 0.06 0.00 -0.03 0.00 0.00 54.58 52.48 1bhn n ASN 3 Cb 0.00 -0.42 0.12 0.00 -0.61 0.00 0.00 39.78 38.87 1bhn n ASN 3 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1bhn n SER 4 N 1.02 1.50 -4.76 6.41 3.41 -1.26 -3.77 113.62 116.16 1bhn n SER 4 Ca 0.19 -3.01 -0.41 0.00 -0.26 0.00 0.00 58.87 55.38 1bhn n SER 4 Cb 0.56 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 1bhn n SER 4 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1bhn s GLU 5 N -2.02 4.33 0.23 4.33 2.12 -1.10 -4.73 118.70 121.87 1bhn s GLU 5 Ca 0.30 2.22 0.08 0.00 0.36 0.00 0.00 54.97 57.93 1bhn s GLU 5 Cb 0.29 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1bhn s GLU 5 CO -0.05 -0.26 0.03 1.03 -0.54 0.00 0.00 175.26 175.48 1bhn s ARG 6 N -1.23 2.45 0.03 4.30 0.52 -1.26 0.83 118.95 124.59 1bhn s ARG 6 Ca 0.53 -1.24 -0.08 0.00 -0.52 0.00 0.00 55.73 54.42 1bhn s ARG 6 Cb -0.40 -2.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.76 1bhn s ARG 6 CO 0.49 0.40 0.15 -0.08 0.02 0.00 0.00 175.30 176.28 1bhn s THR 7 N -2.08 0.11 -0.14 0.02 -1.32 0.10 -4.39 115.64 107.95 1bhn s THR 7 Ca 0.30 -0.90 -0.05 0.00 -1.21 0.00 0.00 61.69 59.84 1bhn s THR 7 Cb -0.08 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1bhn s THR 7 CO 0.20 -0.49 0.03 0.12 -2.21 0.00 0.00 174.62 172.27 1bhn s PHE 8 N -2.24 3.21 -0.10 9.09 5.36 -1.26 -0.69 117.98 131.34 1bhn s PHE 8 Ca -0.08 0.08 -0.02 0.00 -0.96 0.00 0.00 56.93 55.95 1bhn s PHE 8 Cb -0.03 -1.95 0.04 0.00 -0.34 0.00 0.00 43.02 40.74 1bhn s PHE 8 CO -0.02 0.27 0.03 0.42 -1.46 0.00 0.00 175.22 174.46 1bhn s ILE 9 N -0.17 0.25 0.08 3.12 -1.09 -0.82 -1.66 121.20 120.90 1bhn s ILE 9 Ca 0.06 0.00 0.09 0.00 -2.23 0.00 0.00 60.65 58.57 1bhn s ILE 9 Cb -0.12 -0.57 -0.03 0.00 -1.58 0.00 0.00 42.46 40.15 1bhn s ILE 9 CO 0.02 0.07 -0.23 0.00 -1.23 0.00 0.00 174.94 173.57 1bhn s ALA 10 N 2.01 2.46 -0.39 9.38 0.00 -0.10 -2.66 121.76 132.47 1bhn s ALA 10 Ca 0.03 -1.32 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 1bhn s ALA 10 Cb -0.14 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.48 1bhn s ALA 10 CO -0.06 0.56 0.21 0.42 0.00 0.00 0.00 175.76 176.89 1bhn s ILE 11 N -0.97 4.26 1.21 0.00 1.01 -0.94 0.24 121.20 126.01 1bhn s ILE 11 Ca 0.14 -1.17 -0.16 0.00 0.00 0.00 0.00 60.65 59.46 1bhn s ILE 11 Cb -0.10 -3.49 0.29 0.00 0.01 0.00 0.00 42.46 39.17 1bhn s ILE 11 CO 0.05 -0.35 1.03 -0.54 0.00 0.00 0.00 174.94 175.13 1bhn s LYS 12 N 1.46 -1.25 0.38 2.79 1.02 0.46 -1.30 119.74 123.30 1bhn s LYS 12 Ca 0.02 0.40 0.08 0.00 0.02 0.00 0.00 55.97 56.49 1bhn s LYS 12 Cb -0.21 -1.55 0.81 0.00 -0.52 0.00 0.00 37.83 36.35 1bhn s LYS 12 CO 0.04 -3.83 1.97 -1.35 -0.92 0.00 0.00 175.35 171.25 1bhn h PRO 13 N -2.68 0.66 -0.48 -1.68 0.11 -1.83 -1.15 132.00 124.95 1bhn h PRO 13 Ca -0.53 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.50 1bhn h PRO 13 Cb 1.33 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1bhn h PRO 13 CO 0.44 0.43 0.14 0.38 -0.21 0.00 0.00 178.00 179.18 1bhn h ASP 14 N 0.68 0.71 0.51 -2.05 2.03 -1.87 0.40 116.42 116.82 1bhn h ASP 14 Ca 0.30 -0.21 -0.04 0.00 -0.73 0.00 0.00 57.03 56.35 1bhn h ASP 14 Cb 0.31 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1bhn h ASP 14 CO -0.10 0.73 -0.19 1.23 -1.03 0.00 0.00 179.24 179.89 1bhn h GLY 15 N 0.64 0.00 0.02 7.15 0.00 -1.40 0.53 103.07 110.02 1bhn h GLY 15 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1bhn h GLY 15 CO -0.00 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.45 1bhn h VAL 16 N 0.00 0.00 -0.94 4.60 2.07 -0.67 -0.63 116.25 120.68 1bhn h VAL 16 Ca -0.00 -0.05 0.28 0.00 0.82 0.00 0.00 66.70 67.75 1bhn h VAL 16 Cb 0.50 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.11 1bhn h VAL 16 CO 0.02 0.00 0.28 1.56 0.02 0.00 0.00 177.57 179.45 1bhn h GLN 17 N -0.08 0.14 -0.98 1.57 1.08 -0.10 0.16 115.11 116.89 1bhn h GLN 17 Ca -0.00 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 1bhn h GLN 17 Cb 0.02 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1bhn h GLN 17 CO 0.00 0.09 0.10 0.54 -0.95 0.00 0.00 178.83 178.62 1bhn n ARG 18 N -5.27 1.35 -3.97 1.46 1.74 0.17 -4.93 116.66 107.20 1bhn n ARG 18 Ca 0.26 -0.59 -0.26 0.00 -0.77 0.00 0.00 57.85 56.48 1bhn n ARG 18 Cb 0.83 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.94 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 0.17 -0.26 0.44 -0.13 0.00 0.54 -4.89 105.19 101.06 1bhn n GLY 19 Ca 0.11 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.41 2.86 -0.05 0.99 4.77 -0.25 -4.68 117.00 116.22 1bhn n LEU 20 Ca -0.30 -2.55 -0.08 0.00 -0.03 0.00 0.00 56.01 53.06 1bhn n LEU 20 Cb 0.68 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1bhn n LEU 20 CO 0.75 0.66 0.78 0.40 -1.33 0.00 0.00 177.39 178.65 1bhn h ILE 21 N 1.04 0.64 -0.47 -0.08 2.04 -1.88 0.14 117.51 118.93 1bhn h ILE 21 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1bhn h ILE 21 Cb 0.95 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1bhn h ILE 21 CO 0.06 0.00 -0.11 1.23 0.00 0.00 0.00 178.15 179.33 1bhn h GLY 22 N -0.09 0.98 1.01 5.37 0.00 -1.96 -2.92 103.07 105.47 1bhn h GLY 22 Ca 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1bhn h GLY 22 CO -0.29 0.74 0.51 0.83 0.00 0.00 0.00 176.54 178.33 1bhn h GLU 23 N 0.76 1.10 0.56 4.80 4.39 -1.64 -2.02 114.58 122.53 1bhn h GLU 23 Ca 0.12 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1bhn h GLU 23 Cb 0.66 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1bhn h GLU 23 CO 0.05 0.76 -0.27 0.82 -1.16 0.00 0.00 179.01 179.21 1bhn h ILE 24 N 1.12 0.42 -0.09 3.13 2.04 -0.78 -3.20 117.51 120.16 1bhn h ILE 24 Ca 0.30 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 66.04 1bhn h ILE 24 Cb -0.08 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1bhn h ILE 24 CO -0.06 0.02 -0.15 0.40 0.00 0.00 0.00 178.15 178.37 1bhn h ILE 25 N -0.85 0.62 -0.56 -0.67 2.04 -1.43 -2.64 117.51 114.02 1bhn h ILE 25 Ca -0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1bhn h ILE 25 Cb 0.61 0.62 -0.11 0.00 -0.74 0.00 0.00 36.82 37.20 1bhn h ILE 25 CO 0.13 0.00 -0.26 0.50 0.00 0.00 0.00 178.15 178.52 1bhn h LYS 26 N -0.20 -0.11 -0.95 2.37 3.64 -1.49 0.48 116.57 120.31 1bhn h LYS 26 Ca 0.08 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.71 1bhn h LYS 26 Cb 0.31 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.03 1bhn h LYS 26 CO -0.21 -0.07 0.49 0.00 -2.27 0.00 0.00 179.45 177.39 1bhn h ARG 27 N -0.12 0.43 0.62 1.90 2.47 -1.46 1.79 114.38 120.02 1bhn h ARG 27 Ca 0.25 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1bhn h ARG 27 Cb 0.51 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1bhn h ARG 27 CO -0.63 0.29 -0.30 0.74 0.56 0.00 0.00 179.97 180.63 1bhn h PHE 28 N 0.45 -0.78 -0.63 3.04 0.04 -0.20 -2.67 116.94 116.19 1bhn h PHE 28 Ca 0.62 -0.02 0.13 0.00 2.80 0.00 0.00 57.97 61.50 1bhn h PHE 28 Cb 1.22 0.26 -0.11 0.00 2.20 0.00 0.00 35.95 39.52 1bhn h PHE 28 CO -0.07 -0.44 -0.08 0.93 -0.60 0.00 0.00 178.31 178.04 1bhn h GLU 29 N -1.12 0.05 -0.00 1.51 5.08 0.13 -1.18 114.58 119.05 1bhn h GLU 29 Ca -0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1bhn h GLU 29 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1bhn h GLU 29 CO 0.14 0.03 -0.09 0.00 -1.00 0.00 0.00 179.01 178.09 1bhn n GLN 30 N -5.37 0.44 -0.04 2.33 10.64 0.60 -3.32 117.38 122.66 1bhn n GLN 30 Ca 0.08 -0.10 -0.14 0.00 -1.83 0.00 0.00 57.00 55.01 1bhn n GLN 30 Cb 0.35 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.11 1bhn n GLN 30 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1bhn h LYS 31 N 0.24 0.05 0.00 2.61 1.63 -0.88 -3.48 116.57 116.74 1bhn h LYS 31 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1bhn h LYS 31 Cb 0.37 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1bhn h LYS 31 CO 0.00 0.82 0.00 0.41 -3.45 0.00 0.00 179.45 177.23 1bhn n GLY 32 N 1.03 0.03 3.89 5.01 0.00 -0.88 -5.14 105.19 109.14 1bhn n GLY 32 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.03 2.99 -0.07 1.61 0.08 -1.14 -4.94 117.98 116.47 1bhn s PHE 33 Ca 0.00 -0.26 0.04 0.00 0.12 0.00 0.00 56.93 56.83 1bhn s PHE 33 Cb 0.00 -1.83 -0.00 0.00 -0.57 0.00 0.00 43.02 40.62 1bhn s PHE 33 CO 0.00 0.15 -0.21 0.50 -0.10 0.00 0.00 175.22 175.56 1bhn s ARG 34 N -4.04 2.51 0.02 0.44 3.52 0.11 -4.61 118.95 116.90 1bhn s ARG 34 Ca 0.41 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 1bhn s ARG 34 Cb -0.07 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.28 1bhn s ARG 34 CO 0.28 0.21 1.14 -1.17 -0.81 0.00 0.00 175.30 174.95 1bhn s LEU 35 N 0.22 4.35 -0.22 -0.88 0.20 -1.26 -0.53 118.68 120.56 1bhn s LEU 35 Ca -0.12 1.88 -0.13 0.00 0.69 0.00 0.00 54.13 56.44 1bhn s LEU 35 Cb -0.16 -3.57 -0.09 0.00 -0.43 0.00 0.00 46.19 41.94 1bhn s LEU 35 CO 0.06 -0.44 -0.31 0.52 -0.29 0.00 0.00 176.35 175.88 1bhn n VAL 36 N 4.07 1.38 -3.98 1.68 0.31 0.56 -4.96 118.33 117.39 1bhn n VAL 36 Ca 0.09 -0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 64.12 1bhn n VAL 36 Cb 0.47 -1.96 -0.11 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.55 0.17 -0.05 3.52 0.00 -1.06 -1.74 121.76 120.04 1bhn s ALA 37 Ca -0.32 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 1bhn s ALA 37 Cb 0.10 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1bhn s ALA 37 CO 0.42 -0.13 0.29 1.41 0.00 0.00 0.00 175.76 177.75 1bhn s MET 38 N -1.35 0.53 -0.06 0.00 0.00 -1.26 -0.43 119.30 116.72 1bhn s MET 38 Ca -0.14 0.03 -0.30 0.00 0.00 0.00 0.00 55.69 55.28 1bhn s MET 38 Cb -0.09 0.24 0.07 0.00 0.00 0.00 0.00 34.83 35.05 1bhn s MET 38 CO -0.01 -0.12 0.66 0.21 0.00 0.00 0.00 175.02 175.76 1bhn s LYS 39 N -0.75 1.02 -0.24 4.11 2.20 0.04 -4.97 119.74 121.15 1bhn s LYS 39 Ca -0.08 0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 55.79 1bhn s LYS 39 Cb -0.04 0.48 0.02 0.00 -1.51 0.00 0.00 37.83 36.78 1bhn s LYS 39 CO 0.02 -0.31 -0.06 0.12 -0.36 0.00 0.00 175.35 174.77 1bhn s PHE 40 N -1.09 3.03 0.27 4.03 5.36 -1.26 -0.56 117.98 127.75 1bhn s PHE 40 Ca -0.10 -1.42 -0.21 0.00 -0.96 0.00 0.00 56.93 54.24 1bhn s PHE 40 Cb -0.01 -2.07 0.03 0.00 -0.34 0.00 0.00 43.02 40.64 1bhn s PHE 40 CO 0.09 -0.69 0.76 0.00 -1.46 0.00 0.00 175.22 173.92 1bhn s MET 41 N 1.36 1.73 -0.45 10.12 0.23 -1.00 -4.98 119.30 126.31 1bhn s MET 41 Ca 0.02 -0.97 -0.11 0.00 -1.03 0.00 0.00 55.69 53.60 1bhn s MET 41 Cb -0.16 0.58 0.10 0.00 -1.53 0.00 0.00 34.83 33.82 1bhn s MET 41 CO -0.05 -0.79 0.33 0.50 -2.03 0.00 0.00 175.02 172.98 1bhn s ARG 42 N -3.68 2.65 0.18 3.16 3.52 -1.26 0.12 118.95 123.63 1bhn s ARG 42 Ca 0.12 -1.57 -0.31 0.00 -0.13 0.00 0.00 55.73 53.84 1bhn s ARG 42 Cb -0.05 -3.92 -0.09 0.00 -1.56 0.00 0.00 34.95 29.32 1bhn s ARG 42 CO 0.07 -1.08 1.47 0.00 -0.81 0.00 0.00 175.30 174.95 1bhn s ALA 43 N 1.45 3.67 0.93 6.12 0.00 -1.26 -5.01 121.76 127.66 1bhn s ALA 43 Ca 0.04 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1bhn s ALA 43 Cb -0.25 -3.57 0.15 0.00 0.00 0.00 0.00 23.12 19.45 1bhn s ALA 43 CO 0.02 -0.71 1.09 -1.54 0.00 0.00 0.00 175.76 174.62 1bhn s SER 44 N 0.85 3.11 0.14 0.00 1.04 -1.26 -4.63 113.70 112.95 1bhn s SER 44 Ca 0.65 1.58 -0.13 0.00 0.48 0.00 0.00 55.95 58.53 1bhn s SER 44 Cb -0.41 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1bhn s SER 44 CO 0.35 -2.88 1.60 -0.33 0.98 0.00 0.00 173.24 172.96 1bhn h GLU 45 N -1.72 0.79 -0.76 4.02 5.08 -1.95 2.13 114.58 122.17 1bhn h GLU 45 Ca -0.50 -0.24 0.13 0.00 -1.00 0.00 0.00 59.36 57.75 1bhn h GLU 45 Cb 1.29 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1bhn h GLU 45 CO 0.52 0.83 0.50 -0.44 -1.00 0.00 0.00 179.01 179.43 1bhn h ASP 46 N 0.64 0.48 -0.23 1.42 3.32 -1.99 1.29 116.42 121.34 1bhn h ASP 46 Ca 0.13 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1bhn h ASP 46 Cb 0.46 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1bhn h ASP 46 CO 0.02 0.26 -0.00 0.25 -1.72 0.00 0.00 179.24 178.05 1bhn h LEU 47 N 0.51 0.41 -0.31 1.55 6.46 -1.69 -0.31 115.31 121.92 1bhn h LEU 47 Ca 0.37 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1bhn h LEU 47 Cb 0.72 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.48 1bhn h LEU 47 CO -0.13 0.62 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.14 1bhn h LEU 48 N 0.19 -0.33 -0.77 2.25 3.38 1.24 0.37 115.31 121.63 1bhn h LEU 48 Ca 0.07 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1bhn h LEU 48 Cb 0.41 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1bhn h LEU 48 CO 0.01 -0.12 -0.11 0.11 0.09 0.00 0.00 178.44 178.42 1bhn h LYS 49 N -0.02 0.81 -0.71 1.13 1.57 0.59 0.79 116.57 120.72 1bhn h LYS 49 Ca 0.15 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1bhn h LYS 49 Cb 0.25 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1bhn h LYS 49 CO -0.33 0.89 0.47 1.49 -0.57 0.00 0.00 179.45 181.39 1bhn h GLU 50 N 0.73 0.95 0.25 3.15 4.22 -0.26 -0.79 114.58 122.82 1bhn h GLU 50 Ca 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 1bhn h GLU 50 Cb 0.61 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1bhn h GLU 50 CO 0.04 0.63 -0.15 1.25 -2.18 0.00 0.00 179.01 178.61 1bhn h HIS 51 N 0.97 -0.39 -0.31 0.92 2.76 0.16 -3.24 115.15 116.02 1bhn h HIS 51 Ca 0.26 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.26 1bhn h HIS 51 Cb -0.10 0.14 -0.10 0.00 1.55 0.00 0.00 27.41 28.90 1bhn h HIS 51 CO -0.02 -0.22 0.21 0.66 -1.30 0.00 0.00 177.93 177.26 1bhn n TYR 52 N -3.12 0.97 -0.06 5.26 4.01 0.08 -4.65 117.16 119.64 1bhn n TYR 52 Ca -0.05 -1.00 -0.10 0.00 -0.16 0.00 0.00 57.90 56.60 1bhn n TYR 52 Cb 0.15 -0.50 -0.04 0.00 -0.31 0.00 0.00 39.34 38.64 1bhn n TYR 52 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1bhn h ILE 53 N 0.39 0.20 0.00 -0.72 6.09 -1.17 -1.80 117.51 120.49 1bhn h ILE 53 Ca 0.20 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.69 1bhn h ILE 53 Cb 1.52 0.20 0.00 0.00 0.47 0.00 0.00 36.82 39.01 1bhn h ILE 53 CO 0.36 0.00 0.11 0.47 -3.07 0.00 0.00 178.15 176.03 1bhn n ASP 54 N -5.42 0.37 -1.56 2.19 8.00 -1.26 0.52 116.55 119.40 1bhn n ASP 54 Ca -0.02 0.62 -0.13 0.00 0.71 0.00 0.00 54.79 55.98 1bhn n ASP 54 Cb 0.34 -0.64 0.16 0.00 -0.02 0.00 0.00 41.12 40.96 1bhn n ASP 54 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1bhn n LEU 55 N -2.01 4.98 0.27 0.64 4.32 -0.68 -4.52 117.00 120.00 1bhn n LEU 55 Ca -0.01 -3.97 0.13 0.00 -0.02 0.00 0.00 56.01 52.15 1bhn n LEU 55 Cb 0.14 -0.66 0.79 0.00 -1.62 0.00 0.00 43.42 42.06 1bhn n LEU 55 CO 0.06 1.39 1.03 0.07 -1.22 0.00 0.00 177.39 178.73 1bhn h LYS 56 N 1.28 0.00 0.14 3.23 -0.00 0.06 -3.11 116.57 118.17 1bhn h LYS 56 Ca 0.34 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 60.71 1bhn h LYS 56 Cb 1.70 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.93 1bhn h LYS 56 CO 0.67 0.07 -1.39 -0.44 -0.00 0.00 0.00 179.45 178.37 1bhn h ASP 57 N 0.00 0.46 -1.85 7.07 3.32 -1.81 -3.48 116.42 120.13 1bhn h ASP 57 Ca -0.00 -0.89 -0.62 0.00 0.02 0.00 0.00 57.03 55.55 1bhn h ASP 57 Cb 0.19 -0.15 0.16 0.00 0.22 0.00 0.00 39.33 39.75 1bhn h ASP 57 CO 0.01 1.62 -0.86 0.54 -1.72 0.00 0.00 179.24 178.83 1bhn n ARG 58 N -3.88 0.11 -0.23 3.56 3.00 -1.18 -4.87 116.66 113.16 1bhn n ARG 58 Ca -0.23 0.04 0.08 0.00 -0.01 0.00 0.00 57.85 57.74 1bhn n ARG 58 Cb 0.93 -1.11 0.35 0.00 0.00 0.00 0.00 32.46 32.64 1bhn n ARG 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1bhn h PRO 59 N 0.37 0.73 0.00 5.56 0.11 -1.93 -2.67 132.00 134.17 1bhn h PRO 59 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1bhn h PRO 59 Cb 1.44 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1bhn h PRO 59 CO 0.47 0.49 -0.54 0.27 -0.21 0.00 0.00 178.00 178.48 1bhn h PHE 60 N 0.76 0.00 0.00 0.65 -0.00 -1.94 -3.42 116.94 112.99 1bhn h PHE 60 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.35 1bhn h PHE 60 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.39 1bhn h PHE 60 CO -0.00 0.00 0.00 0.34 -0.00 0.00 0.00 178.31 178.65 1bhn n PHE 61 N -2.77 0.00 -0.43 6.09 -0.00 -1.01 0.22 117.46 119.56 1bhn n PHE 61 Ca 0.02 0.00 0.41 0.00 -0.00 0.00 0.00 57.45 57.88 1bhn n PHE 61 Cb 0.53 -0.17 0.76 0.00 -0.00 0.00 0.00 39.48 40.60 1bhn n PHE 61 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bhn h ALA 62 N -0.59 3.34 -0.15 3.13 0.00 -1.80 0.31 119.26 123.49 1bhn h ALA 62 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1bhn h ALA 62 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1bhn h ALA 62 CO 0.00 -1.77 0.03 0.78 0.00 0.00 0.00 179.25 178.28 1bhn h GLY 63 N 0.00 0.28 0.00 0.00 0.00 -0.53 -1.42 103.07 101.39 1bhn h GLY 63 Ca 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1bhn h GLY 63 CO -0.01 0.17 0.00 -0.10 0.00 0.00 0.00 176.54 176.60 1bhn n LEU 64 N -4.79 0.00 -0.10 3.11 7.94 0.10 -2.17 117.00 121.09 1bhn n LEU 64 Ca -0.05 0.99 0.26 0.00 -1.11 0.00 0.00 56.01 56.10 1bhn n LEU 64 Cb 0.18 -0.49 0.72 0.00 0.53 0.00 0.00 43.42 44.36 1bhn n LEU 64 CO 0.36 -0.49 1.24 0.58 -1.11 0.00 0.00 177.39 177.96 1bhn h VAL 65 N 0.00 0.50 0.00 1.96 2.07 -1.47 -0.86 116.25 118.45 1bhn h VAL 65 Ca 0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 1bhn h VAL 65 Cb 0.00 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1bhn h VAL 65 CO 0.00 0.00 -1.27 0.50 0.02 0.00 0.00 177.57 176.82 1bhn h LYS 66 N 0.00 0.00 -0.33 1.57 3.64 -0.74 -3.14 116.57 117.57 1bhn h LYS 66 Ca 0.36 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1bhn h LYS 66 Cb 1.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1bhn h LYS 66 CO -0.00 0.72 -0.21 -0.92 -2.27 0.00 0.00 179.45 176.77 1bhn h TYR 67 N 0.00 0.85 0.00 1.91 3.20 -1.02 -2.23 116.97 119.69 1bhn h TYR 67 Ca -0.13 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1bhn h TYR 67 Cb 1.83 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.91 1bhn h TYR 67 CO 0.00 0.95 0.00 -1.33 -1.64 0.00 0.00 178.16 176.14 1bhn n MET 68 N -4.30 0.03 -0.01 1.82 2.81 -0.38 0.31 117.12 117.40 1bhn n MET 68 Ca -0.03 0.47 0.02 0.00 -1.81 0.00 0.00 57.70 56.36 1bhn n MET 68 Cb 0.42 -1.58 0.02 0.00 -0.71 0.00 0.00 33.22 31.38 1bhn n MET 68 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1bhn n HIS 69 N -1.63 0.03 0.21 2.03 -0.00 -1.13 -4.39 115.22 110.34 1bhn n HIS 69 Ca 0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 57.72 57.50 1bhn n HIS 69 Cb 0.04 -0.01 -0.08 0.00 -0.00 0.00 0.00 29.99 29.95 1bhn n HIS 69 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1bhn h SER 70 N 0.83 -0.46 -4.27 0.26 0.02 0.48 -3.47 113.55 106.94 1bhn h SER 70 Ca 0.00 -0.10 -0.42 0.00 -0.84 0.00 0.00 61.79 60.43 1bhn h SER 70 Cb 0.25 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.82 1bhn h SER 70 CO 0.00 -0.14 -0.33 0.61 -1.14 0.00 0.00 176.83 175.83 1bhn n GLY 71 N -0.61 3.58 3.78 -3.77 0.00 -1.23 -5.09 105.19 101.85 1bhn n GLY 71 Ca -0.10 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 1bhn n GLY 71 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bhn s PRO 72 N -3.17 3.59 0.32 1.61 0.02 -1.26 -4.65 135.00 131.46 1bhn s PRO 72 Ca 0.10 1.57 0.05 0.00 0.02 0.00 0.00 61.00 62.74 1bhn s PRO 72 Cb 0.00 -2.13 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 1bhn s PRO 72 CO 0.07 -0.65 0.02 0.14 -0.33 0.00 0.00 177.00 176.25 1bhn s VAL 73 N -1.78 1.41 -0.30 3.83 -7.23 0.32 -3.65 120.40 113.01 1bhn s VAL 73 Ca 0.69 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1bhn s VAL 73 Cb -0.23 -2.72 0.09 0.00 0.56 0.00 0.00 36.38 34.09 1bhn s VAL 73 CO 0.26 -0.09 0.03 -0.69 -0.31 0.00 0.00 175.10 174.30 1bhn s VAL 74 N -3.15 1.68 0.38 1.32 1.01 -0.42 -2.37 120.40 118.85 1bhn s VAL 74 Ca 0.34 -1.76 -0.16 0.00 0.00 0.00 0.00 61.98 60.40 1bhn s VAL 74 Cb 0.08 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 1bhn s VAL 74 CO 0.15 -0.47 0.81 0.00 0.00 0.00 0.00 175.10 175.59 1bhn s ALA 75 N 1.24 3.23 0.02 5.51 0.00 0.27 -2.22 121.76 129.82 1bhn s ALA 75 Ca 0.06 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 1bhn s ALA 75 Cb -0.18 -2.89 0.07 0.00 0.00 0.00 0.00 23.12 20.12 1bhn s ALA 75 CO -0.12 0.19 0.66 -1.64 0.00 0.00 0.00 175.76 174.84 1bhn s MET 76 N -3.23 1.13 -0.08 0.00 -1.94 -1.09 -0.78 119.30 113.32 1bhn s MET 76 Ca 0.56 0.03 0.04 0.00 -1.71 0.00 0.00 55.69 54.61 1bhn s MET 76 Cb -0.10 0.53 -0.01 0.00 2.01 0.00 0.00 34.83 37.26 1bhn s MET 76 CO 0.19 -0.40 -0.20 0.08 -0.01 0.00 0.00 175.02 174.68 1bhn s VAL 77 N -1.99 2.48 -0.09 -6.03 1.01 0.42 -1.95 120.40 114.26 1bhn s VAL 77 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1bhn s VAL 77 Cb -0.00 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1bhn s VAL 77 CO 0.03 0.56 -0.12 0.26 0.00 0.00 0.00 175.10 175.83 1bhn s TRP 78 N -0.06 1.61 0.15 5.22 0.52 0.13 -0.32 118.94 126.19 1bhn s TRP 78 Ca -0.05 -0.68 0.10 0.00 0.02 0.00 0.00 56.10 55.49 1bhn s TRP 78 Cb -0.14 -1.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.93 1bhn s TRP 78 CO 0.04 -0.38 -0.24 -2.00 0.02 0.00 0.00 176.95 174.39 1bhn s GLU 79 N 0.96 1.39 0.00 4.98 2.12 0.31 0.02 118.70 128.48 1bhn s GLU 79 Ca -0.08 -1.39 0.00 0.00 0.36 0.00 0.00 54.97 53.85 1bhn s GLU 79 Cb -0.15 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.50 1bhn s GLU 79 CO -0.00 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 1bhn n GLY 80 N 0.63 0.57 3.59 -1.50 0.00 0.24 0.07 105.19 108.79 1bhn n GLY 80 Ca -0.16 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1bhn n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bhn s LEU 81 N 0.00 3.43 0.00 0.99 2.96 -1.25 -2.16 118.68 122.65 1bhn s LEU 81 Ca 0.00 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.47 1bhn s LEU 81 Cb 0.00 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.46 1bhn s LEU 81 CO 0.00 -2.18 0.00 0.59 -1.32 0.00 0.00 176.35 173.44 1bhn n ASN 82 N 12.61 -0.58 0.00 3.68 3.02 -1.23 -4.89 115.26 127.87 1bhn n ASN 82 Ca 0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1bhn n ASN 82 Cb 0.48 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1bhn n ASN 82 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1bhn n VAL 83 N -2.12 0.00 -0.02 2.41 0.31 -0.92 -0.39 118.33 117.61 1bhn n VAL 83 Ca 0.00 0.17 -0.01 0.00 -0.01 0.00 0.00 64.34 64.49 1bhn n VAL 83 Cb 0.02 -0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 32.71 1bhn n VAL 83 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1bhn n VAL 84 N -1.65 -0.04 0.11 2.52 0.31 -1.26 0.78 118.33 119.09 1bhn n VAL 84 Ca 0.00 0.64 -0.04 0.00 -0.01 0.00 0.00 64.34 64.93 1bhn n VAL 84 Cb 0.00 -0.84 0.06 0.00 -0.91 0.00 0.00 33.84 32.15 1bhn n VAL 84 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1bhn h LYS 85 N 0.00 0.02 -0.19 5.55 3.64 -1.02 -3.05 116.57 121.52 1bhn h LYS 85 Ca 0.01 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1bhn h LYS 85 Cb 0.02 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1bhn h LYS 85 CO -0.05 0.77 -0.68 1.15 -2.27 0.00 0.00 179.45 178.37 1bhn h THR 86 N 0.01 1.29 0.00 1.00 2.02 -0.69 -2.66 112.91 113.89 1bhn h THR 86 Ca -0.01 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.28 1bhn h THR 86 Cb 1.35 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1bhn h THR 86 CO 0.10 0.60 0.00 0.61 0.37 0.00 0.00 175.52 177.20 1bhn n GLY 87 N 0.53 -0.59 0.12 2.16 0.00 0.23 -1.54 105.19 106.11 1bhn n GLY 87 Ca -0.06 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1bhn n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bhn n ARG 88 N -1.43 0.68 -0.32 1.61 1.74 -1.03 -2.88 116.66 115.03 1bhn n ARG 88 Ca 0.02 0.15 -0.04 0.00 -0.77 0.00 0.00 57.85 57.21 1bhn n ARG 88 Cb 0.05 -1.57 0.08 0.00 -1.02 0.00 0.00 32.46 30.00 1bhn n ARG 88 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1bhn h VAL 89 N 0.01 1.25 -0.86 1.55 2.07 -1.02 0.18 116.25 119.43 1bhn h VAL 89 Ca -0.53 -0.57 0.19 0.00 0.82 0.00 0.00 66.70 66.61 1bhn h VAL 89 Cb 1.99 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 31.70 1bhn h VAL 89 CO -0.03 0.27 0.38 0.24 0.02 0.00 0.00 177.57 178.45 1bhn h MET 90 N 1.20 0.44 -0.49 1.57 2.86 -1.46 -2.36 114.93 116.68 1bhn h MET 90 Ca 0.31 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.84 1bhn h MET 90 Cb -0.02 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1bhn h MET 90 CO -0.05 0.29 -0.01 1.25 1.06 0.00 0.00 176.91 179.45 1bhn h LEU 91 N 0.45 0.85 0.00 1.22 5.85 -0.89 -2.30 115.31 120.51 1bhn h LEU 91 Ca 0.51 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1bhn h LEU 91 Cb 0.89 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1bhn h LEU 91 CO -0.47 0.96 0.00 0.61 -0.34 0.00 0.00 178.44 179.20 1bhn n GLY 92 N -0.37 -1.66 3.77 3.75 0.00 -0.36 -2.04 105.19 108.29 1bhn n GLY 92 Ca 0.01 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 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 3.99 0.35 1.61 8.01 -1.26 -4.86 118.70 126.53 1bhn s GLU 93 Ca 0.00 2.30 0.12 0.00 0.01 0.00 0.00 54.97 57.41 1bhn s GLU 93 Cb 0.00 -2.82 0.95 0.00 -4.31 0.00 0.00 34.13 27.95 1bhn s GLU 93 CO 0.00 -0.53 1.75 0.00 0.01 0.00 0.00 175.26 176.49 1bhn h THR 94 N 2.61 0.56 -2.68 3.63 1.03 -1.97 -3.27 112.91 112.82 1bhn h THR 94 Ca -0.50 -0.18 -0.63 0.00 -0.01 0.00 0.00 66.41 65.08 1bhn h THR 94 Cb 1.25 -0.02 -0.15 0.00 -1.07 0.00 0.00 68.15 68.15 1bhn h THR 94 CO 0.63 0.10 0.51 0.21 -0.01 0.00 0.00 175.52 176.96 1bhn s ASN 95 N -5.26 6.17 0.00 0.00 3.84 -1.26 -4.68 114.94 113.75 1bhn s ASN 95 Ca -0.10 -1.02 0.00 0.00 0.21 0.00 0.00 52.86 51.95 1bhn s ASN 95 Cb 0.26 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 1bhn s ASN 95 CO 0.80 -1.42 0.37 -2.65 -2.79 0.00 0.00 177.10 171.41 1bhn n PRO 96 N 7.60 0.00 -0.01 0.43 -0.02 -1.23 0.18 135.00 141.95 1bhn n PRO 96 Ca -0.04 0.06 0.09 0.00 -2.02 0.00 0.00 63.50 61.59 1bhn n PRO 96 Cb 0.45 -1.57 -0.14 0.00 -0.02 0.00 0.00 33.50 32.22 1bhn n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bhn n ALA 97 N -0.87 2.82 1.08 3.55 0.00 -1.26 -4.04 120.51 121.78 1bhn n ALA 97 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.12 1bhn n ALA 97 Cb 0.07 -0.63 0.22 0.00 0.00 0.00 0.00 19.45 19.12 1bhn n ALA 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bhn n ASP 98 N -2.07 0.86 -4.50 0.00 8.00 0.49 -4.92 116.55 114.41 1bhn n ASP 98 Ca -0.03 -0.66 -0.43 0.00 0.71 0.00 0.00 54.79 54.38 1bhn n ASP 98 Cb 0.46 0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 41.84 1bhn n ASP 98 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1bhn s SER 99 N -2.79 6.32 0.66 -2.24 1.04 -1.21 -4.72 113.70 110.76 1bhn s SER 99 Ca 0.16 -0.48 -0.06 0.00 0.48 0.00 0.00 55.95 56.05 1bhn s SER 99 Cb 0.18 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.93 1bhn s SER 99 CO 0.65 -1.08 -0.10 0.29 0.98 0.00 0.00 173.24 173.98 1bhn n LYS 100 N 6.98 -0.47 -3.07 4.02 4.76 -1.26 -3.30 118.16 125.83 1bhn n LYS 100 Ca -0.01 -0.14 -0.24 0.00 -2.87 0.00 0.00 58.31 55.05 1bhn n LYS 100 Cb 0.47 -1.10 -0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1bhn n LYS 100 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1bhn s PRO 101 N -2.30 3.34 0.00 1.97 0.02 -1.26 -3.28 135.00 133.49 1bhn s PRO 101 Ca 0.11 -0.26 0.00 0.00 0.02 0.00 0.00 61.00 60.87 1bhn s PRO 101 Cb -0.00 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.96 1bhn s PRO 101 CO 0.14 -0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 1bhn n GLY 102 N -2.01 2.74 3.95 0.52 0.00 -1.26 -4.93 105.19 104.21 1bhn n GLY 102 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.32 2.17 0.04 2.61 -4.23 -1.21 -4.81 115.64 108.90 1bhn s THR 103 Ca 0.00 -0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 60.00 1bhn s THR 103 Cb 0.00 -2.85 -0.19 0.00 1.34 0.00 0.00 72.50 70.80 1bhn s THR 103 CO 0.00 0.00 1.20 0.40 -0.54 0.00 0.00 174.62 175.68 1bhn h ILE 104 N -0.81 1.37 0.54 2.99 5.03 -1.24 0.89 117.51 126.27 1bhn h ILE 104 Ca -0.42 -1.93 -0.03 0.00 -0.12 0.00 0.00 64.86 62.37 1bhn h ILE 104 Cb 1.28 2.29 0.01 0.00 -3.03 0.00 0.00 36.82 37.36 1bhn h ILE 104 CO 0.47 0.58 -0.26 0.03 -0.68 0.00 0.00 178.15 178.29 1bhn h ARG 105 N 0.12 -0.69 -0.99 2.37 3.08 -1.71 -1.80 114.38 114.77 1bhn h ARG 105 Ca -0.05 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.25 1bhn h ARG 105 Cb 1.25 0.16 -0.19 0.00 0.08 0.00 0.00 29.97 31.27 1bhn h ARG 105 CO 0.12 -0.39 -0.22 0.78 -1.07 0.00 0.00 179.97 179.19 1bhn h GLY 106 N -1.03 0.77 0.02 0.04 0.00 -1.56 0.26 103.07 101.58 1bhn h GLY 106 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1bhn h GLY 106 CO 0.12 -0.39 -0.38 1.22 0.00 0.00 0.00 176.54 177.11 1bhn n ASP 107 N -5.61 1.20 0.00 0.19 8.00 0.30 -4.57 116.55 116.06 1bhn n ASP 107 Ca 0.16 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1bhn n ASP 107 Cb 0.52 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1bhn n ASP 107 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bhn n PHE 108 N -0.65 0.00 -3.94 1.24 3.72 0.75 -5.06 117.46 113.52 1bhn n PHE 108 Ca 0.10 -0.01 -0.09 0.00 -0.05 0.00 0.00 57.45 57.41 1bhn n PHE 108 Cb 0.37 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 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 -0.44 0.00 -4.11 0.00 -5.35 -1.26 -4.71 119.36 103.48 1bhn n ILE 110 Ca -0.03 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.10 1bhn n ILE 110 Cb 0.61 -0.29 -0.10 0.00 -1.74 0.00 0.00 39.64 38.12 1bhn n ILE 110 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1bhn s GLN 111 N -1.48 3.72 0.30 6.28 0.74 -1.26 -4.27 119.66 123.69 1bhn s GLN 111 Ca 0.00 -0.36 0.04 0.00 0.05 0.00 0.00 55.36 55.09 1bhn s GLN 111 Cb 0.00 -3.10 0.24 0.00 1.10 0.00 0.00 33.01 31.26 1bhn s GLN 111 CO 0.00 0.39 0.92 0.28 -0.55 0.00 0.00 175.29 176.33 1bhn n VAL 112 N 3.16 0.24 0.70 1.34 0.31 -1.26 0.41 118.33 123.23 1bhn n VAL 112 Ca -0.17 0.73 0.10 0.00 -0.01 0.00 0.00 64.34 64.99 1bhn n VAL 112 Cb 0.53 -1.73 0.28 0.00 -0.91 0.00 0.00 33.84 32.01 1bhn n VAL 112 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bhn n GLY 113 N -1.25 1.06 2.45 2.92 0.00 -1.26 -4.09 105.19 105.03 1bhn n GLY 113 Ca -0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 1bhn n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bhn n ARG 114 N 0.90 0.79 -0.81 1.61 5.12 1.39 -4.98 116.66 120.67 1bhn n ARG 114 Ca 0.17 -2.56 -0.03 0.00 -1.93 0.00 0.00 57.85 53.51 1bhn n ARG 114 Cb 0.45 -1.34 0.19 0.00 -1.16 0.00 0.00 32.46 30.60 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 1.31 2.39 0.00 0.55 6.94 -1.18 -4.16 115.26 121.11 1bhn n ASN 115 Ca 0.16 -3.84 0.00 0.00 -0.02 0.00 0.00 54.58 50.88 1bhn n ASN 115 Cb 0.59 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1bhn n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1bhn n ILE 116 N -1.10 0.00 -4.20 1.53 -5.35 -1.26 -4.83 119.36 104.14 1bhn n ILE 116 Ca 0.30 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.61 1bhn n ILE 116 Cb 0.92 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.71 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 -0.01 1.13 0.07 7.28 2.07 -1.26 0.17 121.20 130.65 1bhn s ILE 117 Ca 0.00 -1.62 0.07 0.00 -1.41 0.00 0.00 60.65 57.69 1bhn s ILE 117 Cb 0.00 -1.39 -0.03 0.00 0.13 0.00 0.00 42.46 41.17 1bhn s ILE 117 CO 0.00 -0.45 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.11 1bhn s HIS 118 N -2.14 1.62 0.00 3.50 5.65 0.66 -4.88 115.29 119.71 1bhn s HIS 118 Ca 0.06 -0.40 0.02 0.00 0.25 0.00 0.00 55.06 54.99 1bhn s HIS 118 Cb -0.05 -0.93 -0.01 0.00 -1.18 0.00 0.00 32.58 30.41 1bhn s HIS 118 CO 0.02 0.12 -0.07 0.20 -0.65 0.00 0.00 174.74 174.35 1bhn s GLY 119 N -1.50 0.38 0.36 1.59 0.00 -1.26 -0.93 107.32 105.96 1bhn s GLY 119 Ca 0.05 -0.39 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 1bhn s GLY 119 CO 0.03 -0.35 1.20 -0.56 0.00 0.00 0.00 173.10 173.41 1bhn s SER 120 N -0.41 6.73 0.06 1.64 0.01 -0.66 -4.93 113.70 116.14 1bhn s SER 120 Ca 0.01 2.43 0.14 0.00 1.31 0.00 0.00 55.95 59.84 1bhn s SER 120 Cb -0.04 -2.63 -0.16 0.00 0.21 0.00 0.00 66.02 63.41 1bhn s SER 120 CO -0.00 -0.54 0.91 -2.24 0.41 0.00 0.00 173.24 171.78 1bhn h ASP 121 N 3.07 0.00 -4.39 2.44 2.03 -1.93 -3.45 116.42 114.19 1bhn h ASP 121 Ca -0.48 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 55.65 1bhn h ASP 121 Cb 1.23 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.49 1bhn h ASP 121 CO 0.64 0.78 -0.50 -0.94 -1.03 0.00 0.00 179.24 178.19 1bhn s SER 122 N -6.11 -0.08 0.17 4.15 1.04 -1.26 -4.85 113.70 106.77 1bhn s SER 122 Ca -0.02 0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.26 1bhn s SER 122 Cb 0.08 0.28 0.07 0.00 0.10 0.00 0.00 66.02 66.56 1bhn s SER 122 CO 0.81 -0.22 1.61 -0.37 0.98 0.00 0.00 173.24 176.05 1bhn h VAL 123 N 4.56 0.28 -0.00 5.02 -1.51 -1.92 7.06 116.25 129.74 1bhn h VAL 123 Ca -0.28 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.10 1bhn h VAL 123 Cb 1.20 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1bhn h VAL 123 CO 0.40 0.00 -0.43 1.05 -1.23 0.00 0.00 177.57 177.37 1bhn h GLU 124 N -0.22 0.01 -0.40 5.19 4.11 -1.97 0.80 114.58 122.09 1bhn h GLU 124 Ca 0.18 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.54 1bhn h GLU 124 Cb 0.51 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1bhn h GLU 124 CO -0.52 0.43 -0.02 0.77 0.07 0.00 0.00 179.01 179.74 1bhn h SER 125 N 0.01 0.71 -0.24 3.06 0.02 -0.66 0.37 113.55 116.81 1bhn h SER 125 Ca -0.00 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1bhn h SER 125 Cb 0.76 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1bhn h SER 125 CO 0.06 0.86 -0.20 0.00 -1.14 0.00 0.00 176.83 176.40 1bhn h ALA 126 N 0.88 -0.33 -0.89 3.77 0.00 1.66 0.98 119.26 125.32 1bhn h ALA 126 Ca 0.11 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1bhn h ALA 126 Cb 0.50 0.99 -0.17 0.00 0.00 0.00 0.00 17.79 19.12 1bhn h ALA 126 CO 0.02 -0.46 -0.06 0.39 0.00 0.00 0.00 179.25 179.15 1bhn n GLU 127 N -3.72 -0.07 -0.02 0.00 -0.58 0.26 0.37 120.64 116.87 1bhn n GLU 127 Ca -0.00 1.35 -0.12 0.00 -0.42 0.00 0.00 57.16 57.96 1bhn n GLU 127 Cb 0.11 -2.10 -0.07 0.00 -0.57 0.00 0.00 31.44 28.80 1bhn n GLU 127 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1bhn h LYS 128 N 0.00 0.14 0.18 3.49 3.64 0.26 -1.25 116.57 123.04 1bhn h LYS 128 Ca 0.50 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 1bhn h LYS 128 Cb 0.97 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1bhn h LYS 128 CO -0.86 0.41 -0.09 0.93 -2.27 0.00 0.00 179.45 177.57 1bhn h GLU 129 N -0.15 -0.24 -0.83 1.90 5.08 0.27 0.47 114.58 121.08 1bhn h GLU 129 Ca 0.02 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1bhn h GLU 129 Cb 0.35 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.50 1bhn h GLU 129 CO 0.00 0.02 -0.26 0.82 -1.00 0.00 0.00 179.01 178.60 1bhn h ILE 130 N -0.48 0.13 -0.01 3.13 2.04 -0.10 2.07 117.51 124.29 1bhn h ILE 130 Ca -0.03 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 1bhn h ILE 130 Cb 0.37 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1bhn h ILE 130 CO 0.04 0.00 -0.75 0.00 0.00 0.00 0.00 178.15 177.44 1bhn h ALA 131 N 1.63 0.73 0.00 1.87 0.00 -1.02 -1.18 119.26 121.29 1bhn h ALA 131 Ca 0.37 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1bhn h ALA 131 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1bhn h ALA 131 CO -0.86 0.89 -0.21 1.25 0.00 0.00 0.00 179.25 180.32 1bhn h LEU 132 N 0.05 0.00 0.00 0.00 6.46 0.61 -3.27 115.31 119.15 1bhn h LEU 132 Ca -0.02 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.49 1bhn h LEU 132 Cb 1.32 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.21 1bhn h LEU 132 CO 0.10 0.21 -1.82 0.79 -0.62 0.00 0.00 178.44 177.10 1bhn n TRP 133 N -3.37 0.66 -4.00 1.25 7.02 0.61 -4.90 117.44 114.72 1bhn n TRP 133 Ca 0.00 0.23 -0.16 0.00 -1.02 0.00 0.00 57.50 56.56 1bhn n TRP 133 Cb 0.43 -1.06 -0.15 0.00 -2.42 0.00 0.00 31.31 28.10 1bhn n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1bhn s PHE 134 N -2.73 0.32 0.28 -5.99 0.08 -0.51 -5.10 117.98 104.33 1bhn s PHE 134 Ca -0.06 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 1bhn s PHE 134 Cb 0.08 -0.31 -0.12 0.00 -0.57 0.00 0.00 43.02 42.10 1bhn s PHE 134 CO 0.83 -0.07 1.50 0.72 -0.10 0.00 0.00 175.22 178.10 1bhn n HIS 135 N 3.59 2.59 -0.38 0.36 8.25 -1.26 -4.61 115.22 123.74 1bhn n HIS 135 Ca -0.20 0.35 0.30 0.00 -0.26 0.00 0.00 57.72 57.91 1bhn n HIS 135 Cb 0.54 -2.53 0.49 0.00 1.12 0.00 0.00 29.99 29.61 1bhn n HIS 135 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1bhn n PRO 136 N 1.88 -0.01 -3.14 -0.41 -0.04 -1.26 -1.88 135.00 130.14 1bhn n PRO 136 Ca 0.09 0.75 -0.31 0.00 -0.04 0.00 0.00 63.50 63.99 1bhn n PRO 136 Cb 0.35 -1.61 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1bhn n PRO 136 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1bhn n GLU 137 N -3.60 3.37 0.00 0.54 -0.00 -1.26 -3.90 120.64 115.80 1bhn n GLU 137 Ca 0.27 -4.71 0.00 0.00 -0.00 0.00 0.00 57.16 52.73 1bhn n GLU 137 Cb 1.16 -2.32 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 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 0.55 0.00 -3.39 3.44 1.02 -0.79 -5.02 120.64 116.45 1bhn n GLU 138 Ca 0.31 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 57.00 1bhn n GLU 138 Cb 0.38 -0.27 -0.04 0.00 -0.02 0.00 0.00 31.44 31.49 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 0.00 6.38 0.19 -4.62 1.02 -1.25 -4.53 118.68 115.88 1bhn s LEU 139 Ca 0.00 -2.50 -0.30 0.00 0.02 0.00 0.00 54.13 51.34 1bhn s LEU 139 Cb 0.00 -2.15 -0.09 0.00 0.02 0.00 0.00 46.19 43.97 1bhn s LEU 139 CO 0.00 -0.60 1.35 -0.69 0.02 0.00 0.00 176.35 176.42 1bhn s VAL 140 N 0.46 3.14 -0.25 -1.59 1.01 -0.71 -4.97 120.40 117.49 1bhn s VAL 140 Ca 0.14 0.91 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 1bhn s VAL 140 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1bhn s VAL 140 CO -0.06 0.13 -0.03 0.20 0.00 0.00 0.00 175.10 175.34 1bhn s ASN 141 N 0.49 4.46 0.15 3.32 -0.87 -1.26 -4.72 114.94 116.50 1bhn s ASN 141 Ca 0.59 -0.65 -0.19 0.00 -1.57 0.00 0.00 52.86 51.04 1bhn s ASN 141 Cb -0.37 -1.74 0.05 0.00 -0.02 0.00 0.00 41.25 39.17 1bhn s ASN 141 CO 0.37 -0.10 0.50 -0.72 -2.57 0.00 0.00 177.10 174.58 1bhn s TYR 142 N 1.42 -0.32 0.21 2.20 1.13 -1.26 -5.19 117.35 115.53 1bhn s TYR 142 Ca 0.03 0.04 0.07 0.00 -1.41 0.00 0.00 57.07 55.80 1bhn s TYR 142 Cb -0.16 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 1bhn s TYR 142 CO -0.03 -0.79 0.07 0.15 -2.51 0.00 0.00 175.55 172.44 1bhn s LYS 143 N -3.79 2.60 -0.07 -3.49 -0.14 -1.26 -5.10 119.74 108.48 1bhn s LYS 143 Ca 0.03 -1.11 -0.15 0.00 -1.36 0.00 0.00 55.97 53.39 1bhn s LYS 143 Cb 0.00 -2.42 -0.05 0.00 -1.68 0.00 0.00 37.83 33.68 1bhn s LYS 143 CO -0.11 0.43 0.38 -1.54 -0.76 0.00 0.00 175.35 173.76 1bhn s SER 144 N -3.31 6.67 0.52 2.83 1.04 -1.26 -4.96 113.70 115.23 1bhn s SER 144 Ca 0.30 0.80 0.31 0.00 0.48 0.00 0.00 55.95 57.84 1bhn s SER 144 Cb -0.09 -2.23 1.46 0.00 0.10 0.00 0.00 66.02 65.26 1bhn s SER 144 CO 0.21 0.20 1.86 0.00 0.98 0.00 0.00 173.24 176.49 1bhn n ALA 146 N -2.70 4.17 -0.45 0.00 0.00 -1.26 -4.47 120.51 115.80 1bhn n ALA 146 Ca 0.21 -0.54 0.35 0.00 0.00 0.00 0.00 53.44 53.46 1bhn n ALA 146 Cb 1.02 -0.87 0.54 0.00 0.00 0.00 0.00 19.45 20.14 1bhn n ALA 146 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bhn n GLN 147 N -1.17 0.00 -0.84 0.00 7.27 0.68 0.14 117.38 123.47 1bhn n GLN 147 Ca 0.06 0.76 -0.04 0.00 0.07 0.00 0.00 57.00 57.84 1bhn n GLN 147 Cb 0.36 -1.77 0.25 0.00 2.41 0.00 0.00 30.24 31.48 1bhn n GLN 147 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1bhn n ASN 148 N -3.25 3.74 0.00 1.69 0.23 -1.26 0.13 115.26 116.54 1bhn n ASN 148 Ca 0.29 -3.39 0.00 0.00 -0.53 0.00 0.00 54.58 50.95 1bhn n ASN 148 Cb 1.38 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 1bhn n ASN 148 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1bhn n TRP 149 N -0.67 0.00 -0.08 -2.53 5.03 0.37 -4.60 117.44 114.96 1bhn n TRP 149 Ca 0.36 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.76 1bhn n TRP 149 Cb 1.20 0.00 -0.08 0.00 -1.03 0.00 0.00 31.31 31.39 1bhn n TRP 149 CO 0.00 0.00 0.00 0.82 -0.03 0.00 0.00 177.69 178.48 1bhn h ILE 150 N 0.00 0.82 -3.53 -0.99 2.04 0.06 -3.46 117.51 112.44 1bhn h ILE 150 Ca 0.00 -1.82 -0.68 0.00 1.00 0.00 0.00 64.86 63.35 1bhn h ILE 150 Cb 0.58 1.76 -0.17 0.00 -0.74 0.00 0.00 36.82 38.24 1bhn h ILE 150 CO 0.00 0.28 -0.67 -0.31 0.00 0.00 0.00 178.15 177.45 1bhn s TYR 151 N -2.20 3.02 -2.02 1.37 2.02 0.34 -5.09 117.35 114.79 1bhn s TYR 151 Ca -0.20 0.09 0.32 0.00 -0.37 0.00 0.00 57.07 56.91 1bhn s TYR 151 Cb 0.02 -1.74 1.87 0.00 -0.40 0.00 0.00 41.96 41.72 1bhn s TYR 151 CO 0.46 0.39 2.21 -0.85 -1.57 0.00 0.00 175.55 176.19