#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 0.58 -1.69 0.00 4.13 -1.26 -1.89 115.26 115.12 1bhn n ASN 3 Ca 0.00 -0.42 -0.08 0.00 1.68 0.00 0.00 54.58 55.76 1bhn n ASN 3 Cb 0.00 1.17 0.24 0.00 -1.54 0.00 0.00 39.78 39.65 1bhn n ASN 3 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1bhn n SER 4 N -1.88 3.82 -4.70 6.41 3.41 -1.26 -3.16 113.62 116.25 1bhn n SER 4 Ca 0.01 -3.44 -0.41 0.00 -0.26 0.00 0.00 58.87 54.76 1bhn n SER 4 Cb 0.43 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.12 4.44 0.10 4.33 2.12 -1.21 -4.84 118.70 120.52 1bhn s GLU 5 Ca 0.51 1.18 0.06 0.00 0.36 0.00 0.00 54.97 57.09 1bhn s GLU 5 Cb 0.43 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1bhn s GLU 5 CO 0.09 -0.14 -0.06 1.03 -0.54 0.00 0.00 175.26 175.63 1bhn s ARG 6 N 1.43 2.27 0.13 4.30 3.00 -1.26 -0.11 118.95 128.72 1bhn s ARG 6 Ca 0.44 -0.96 0.00 0.00 0.00 0.00 0.00 55.73 55.21 1bhn s ARG 6 Cb -0.19 -2.39 -0.04 0.00 0.00 0.00 0.00 34.95 32.34 1bhn s ARG 6 CO 0.20 0.52 -0.00 -0.08 0.00 0.00 0.00 175.30 175.93 1bhn s THR 7 N -1.26 0.44 -0.20 0.02 -1.32 -0.49 -4.79 115.64 108.04 1bhn s THR 7 Ca 0.23 -1.92 -0.04 0.00 -1.21 0.00 0.00 61.69 58.75 1bhn s THR 7 Cb -0.11 -1.92 -0.01 0.00 -1.51 0.00 0.00 72.50 68.95 1bhn s THR 7 CO 0.15 -0.63 -0.04 0.12 -2.21 0.00 0.00 174.62 172.01 1bhn s PHE 8 N -3.81 2.96 -0.11 9.09 5.36 -1.26 -2.24 117.98 127.97 1bhn s PHE 8 Ca 0.19 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.43 1bhn s PHE 8 Cb 0.07 -2.05 0.02 0.00 -0.34 0.00 0.00 43.02 40.71 1bhn s PHE 8 CO -0.01 -0.40 -0.15 0.42 -1.46 0.00 0.00 175.22 173.63 1bhn s ILE 9 N 1.14 1.48 -0.11 3.12 -1.09 0.10 -2.07 121.20 123.77 1bhn s ILE 9 Ca 0.02 -0.62 0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1bhn s ILE 9 Cb -0.15 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.37 1bhn s ILE 9 CO -0.00 0.44 -0.18 0.00 -1.23 0.00 0.00 174.94 173.97 1bhn s ALA 10 N 1.06 2.45 -0.16 9.38 0.00 -0.30 -0.23 121.76 133.96 1bhn s ALA 10 Ca -0.05 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1bhn s ALA 10 Cb -0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1bhn s ALA 10 CO -0.03 0.30 0.13 0.42 0.00 0.00 0.00 175.76 176.59 1bhn s ILE 11 N 0.20 5.46 0.86 0.00 1.01 -0.51 -0.04 121.20 128.18 1bhn s ILE 11 Ca -0.11 0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 1bhn s ILE 11 Cb -0.16 -3.44 0.13 0.00 0.01 0.00 0.00 42.46 39.00 1bhn s ILE 11 CO 0.06 0.53 1.23 -0.54 0.00 0.00 0.00 174.94 176.22 1bhn s LYS 12 N -0.32 1.45 0.60 2.79 1.02 0.17 -1.98 119.74 123.47 1bhn s LYS 12 Ca 0.11 -0.13 0.31 0.00 0.02 0.00 0.00 55.97 56.29 1bhn s LYS 12 Cb -0.11 -1.92 1.83 0.00 -0.52 0.00 0.00 37.83 37.10 1bhn s LYS 12 CO 0.01 -1.91 2.22 -1.35 -0.92 0.00 0.00 175.35 173.40 1bhn h PRO 13 N -1.26 0.00 -0.01 -1.68 0.11 -1.85 -0.01 132.00 127.29 1bhn h PRO 13 Ca -0.45 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1bhn h PRO 13 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1bhn h PRO 13 CO 0.54 0.00 -0.83 0.38 -0.21 0.00 0.00 178.00 177.88 1bhn h ASP 14 N 0.00 0.29 0.68 -2.05 2.03 -1.90 0.68 116.42 116.15 1bhn h ASP 14 Ca 0.02 -0.22 -0.03 0.00 -0.73 0.00 0.00 57.03 56.07 1bhn h ASP 14 Cb 0.15 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 38.57 1bhn h ASP 14 CO -0.00 0.99 -0.33 1.23 -1.03 0.00 0.00 179.24 180.11 1bhn h GLY 15 N 1.72 -0.96 0.66 7.15 0.00 -1.24 0.09 103.07 110.48 1bhn h GLY 15 Ca -0.04 0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.71 1bhn h GLY 15 CO 0.13 -0.35 0.38 -2.08 0.00 0.00 0.00 176.54 174.62 1bhn h VAL 16 N -1.06 0.96 -0.21 4.60 2.07 -1.13 -1.95 116.25 119.53 1bhn h VAL 16 Ca -0.09 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 1bhn h VAL 16 Cb 0.70 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1bhn h VAL 16 CO 0.15 0.13 -0.37 1.56 0.02 0.00 0.00 177.57 179.06 1bhn h GLN 17 N 0.70 0.47 -1.48 1.57 1.08 0.70 -3.23 115.11 114.92 1bhn h GLN 17 Ca 0.31 -0.22 -0.63 0.00 -1.45 0.00 0.00 58.65 56.66 1bhn h GLN 17 Cb 0.21 -0.01 -0.38 0.00 -0.05 0.00 0.00 27.48 27.25 1bhn h GLN 17 CO -0.19 0.77 -0.24 0.54 -0.95 0.00 0.00 178.83 178.76 1bhn n ARG 18 N -4.05 3.26 -3.84 1.46 1.74 -0.01 -4.99 116.66 110.23 1bhn n ARG 18 Ca -0.01 -4.17 -0.31 0.00 -0.77 0.00 0.00 57.85 52.59 1bhn n ARG 18 Cb 0.48 -2.26 0.01 0.00 -1.02 0.00 0.00 32.46 29.67 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 -0.55 -1.04 0.05 -0.13 0.00 -1.03 -4.93 105.19 97.56 1bhn n GLY 19 Ca 0.45 0.46 0.02 0.00 0.00 0.00 0.00 46.02 46.94 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 -3.35 1.33 -0.12 0.99 4.77 -1.14 -4.65 117.00 114.84 1bhn n LEU 20 Ca -0.23 -1.53 -0.08 0.00 -0.03 0.00 0.00 56.01 54.15 1bhn n LEU 20 Cb 0.59 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1bhn n LEU 20 CO 0.63 0.37 1.02 0.40 -1.33 0.00 0.00 177.39 178.48 1bhn h ILE 21 N 1.42 1.07 0.47 -0.08 2.04 -1.90 0.73 117.51 121.26 1bhn h ILE 21 Ca 0.00 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1bhn h ILE 21 Cb 0.79 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1bhn h ILE 21 CO 0.00 0.09 -0.32 1.23 0.00 0.00 0.00 178.15 179.15 1bhn h GLY 22 N 0.48 -1.00 -0.87 5.37 0.00 -1.97 -0.29 103.07 104.79 1bhn h GLY 22 Ca 0.14 0.42 0.08 0.00 0.00 0.00 0.00 47.33 47.98 1bhn h GLY 22 CO -0.05 -0.33 -0.58 0.83 0.00 0.00 0.00 176.54 176.41 1bhn h GLU 23 N -0.75 -0.09 0.08 4.80 4.39 -1.84 0.49 114.58 121.66 1bhn h GLU 23 Ca -0.06 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1bhn h GLU 23 Cb 0.61 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 1bhn h GLU 23 CO 0.04 -0.06 -0.36 0.82 -1.16 0.00 0.00 179.01 178.29 1bhn h ILE 24 N -0.09 0.24 -0.67 3.13 2.04 0.59 -1.42 117.51 121.33 1bhn h ILE 24 Ca 0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.14 1bhn h ILE 24 Cb 0.46 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1bhn h ILE 24 CO -0.86 0.00 0.45 0.40 0.00 0.00 0.00 178.15 178.14 1bhn h ILE 25 N -0.57 0.83 -0.43 -0.67 2.04 -0.18 -2.07 117.51 116.45 1bhn h ILE 25 Ca 0.04 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1bhn h ILE 25 Cb 0.62 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1bhn h ILE 25 CO -0.24 0.07 0.18 0.50 0.00 0.00 0.00 178.15 178.66 1bhn h LYS 26 N 0.36 0.61 0.00 2.37 3.64 0.10 -1.50 116.57 122.16 1bhn h LYS 26 Ca 0.32 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1bhn h LYS 26 Cb 0.75 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1bhn h LYS 26 CO -0.09 0.49 -0.16 0.00 -2.27 0.00 0.00 179.45 177.43 1bhn h ARG 27 N 0.61 0.00 0.14 1.90 3.08 -0.81 -0.85 114.38 118.45 1bhn h ARG 27 Ca 0.15 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.89 1bhn h ARG 27 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1bhn h ARG 27 CO -0.02 0.16 -1.54 0.74 -1.07 0.00 0.00 179.97 178.24 1bhn h PHE 28 N 0.00 0.54 0.03 3.04 -1.00 -1.42 -2.94 116.94 115.19 1bhn h PHE 28 Ca -0.00 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1bhn h PHE 28 Cb 0.39 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1bhn h PHE 28 CO 0.00 1.43 -0.17 0.93 -1.61 0.00 0.00 178.31 178.90 1bhn h GLU 29 N 0.08 -0.23 0.00 1.51 5.08 -0.84 -2.61 114.58 117.57 1bhn h GLU 29 Ca -0.25 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1bhn h GLU 29 Cb 2.04 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1bhn h GLU 29 CO 0.18 -0.15 0.03 0.00 -1.00 0.00 0.00 179.01 178.06 1bhn n GLN 30 N -3.40 0.00 0.00 2.33 10.64 -0.36 0.62 117.38 127.21 1bhn n GLN 30 Ca -0.03 0.45 0.12 0.00 -1.83 0.00 0.00 57.00 55.71 1bhn n GLN 30 Cb 0.13 -1.53 0.16 0.00 -0.86 0.00 0.00 30.24 28.14 1bhn n GLN 30 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1bhn n LYS 31 N -1.45 1.44 -0.76 2.61 3.00 -1.01 -4.95 118.16 117.05 1bhn n LYS 31 Ca 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.20 1bhn n LYS 31 Cb 0.03 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.58 1bhn n LYS 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bhn n GLY 32 N 1.36 0.83 3.90 3.14 0.00 0.20 -5.04 105.19 109.58 1bhn n GLY 32 Ca 0.12 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 3.48 -0.20 1.61 0.08 -1.09 -4.88 117.98 114.99 1bhn s PHE 33 Ca 0.00 0.75 -0.10 0.00 0.12 0.00 0.00 56.93 57.70 1bhn s PHE 33 Cb 0.00 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 1bhn s PHE 33 CO 0.00 0.09 0.14 0.50 -0.10 0.00 0.00 175.22 175.85 1bhn s ARG 34 N -3.67 4.18 -0.50 0.44 3.52 0.34 -4.50 118.95 118.76 1bhn s ARG 34 Ca 0.46 -0.20 -0.28 0.00 -0.13 0.00 0.00 55.73 55.58 1bhn s ARG 34 Cb -0.11 -3.42 -0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1bhn s ARG 34 CO 0.31 0.30 1.64 -0.51 -0.81 0.00 0.00 175.30 176.23 1bhn s LEU 35 N 0.34 3.42 -0.10 -0.88 1.43 -1.26 0.21 118.68 121.84 1bhn s LEU 35 Ca 0.09 0.62 -0.19 0.00 -1.03 0.00 0.00 54.13 53.61 1bhn s LEU 35 Cb -0.11 -3.08 -0.16 0.00 0.03 0.00 0.00 46.19 42.87 1bhn s LEU 35 CO -0.02 -1.87 0.61 0.58 0.23 0.00 0.00 176.35 175.88 1bhn h VAL 36 N 6.64 1.06 -3.77 -1.59 2.07 -0.88 -3.47 116.25 116.31 1bhn h VAL 36 Ca -0.28 -1.64 -0.30 0.00 0.82 0.00 0.00 66.70 65.30 1bhn h VAL 36 Cb 1.13 1.95 -0.18 0.00 -1.52 0.00 0.00 31.29 32.67 1bhn h VAL 36 CO 1.14 0.34 -0.73 0.00 0.02 0.00 0.00 177.57 178.34 1bhn s ALA 37 N -2.75 1.03 -0.28 1.67 0.00 -1.15 -1.66 121.76 118.63 1bhn s ALA 37 Ca -0.12 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.44 1bhn s ALA 37 Cb -0.01 0.05 0.09 0.00 0.00 0.00 0.00 23.12 23.25 1bhn s ALA 37 CO 0.45 -0.07 0.79 1.41 0.00 0.00 0.00 175.76 178.35 1bhn s MET 38 N -2.82 0.73 -0.27 0.00 0.00 -1.26 -1.72 119.30 113.96 1bhn s MET 38 Ca 0.05 0.94 -0.10 0.00 0.00 0.00 0.00 55.69 56.58 1bhn s MET 38 Cb -0.02 0.31 0.11 0.00 0.00 0.00 0.00 34.83 35.23 1bhn s MET 38 CO -0.01 -0.10 0.59 0.21 0.00 0.00 0.00 175.02 175.71 1bhn s LYS 39 N 0.61 0.53 -0.49 4.11 2.20 0.53 -4.96 119.74 122.27 1bhn s LYS 39 Ca -0.01 1.29 -0.28 0.00 -0.36 0.00 0.00 55.97 56.61 1bhn s LYS 39 Cb -0.05 0.59 0.01 0.00 -1.51 0.00 0.00 37.83 36.87 1bhn s LYS 39 CO -0.05 -0.20 1.50 0.12 -0.36 0.00 0.00 175.35 176.36 1bhn s PHE 40 N 2.56 2.20 -0.05 4.03 5.36 -1.26 0.03 117.98 130.85 1bhn s PHE 40 Ca -0.06 0.58 -0.08 0.00 -0.96 0.00 0.00 56.93 56.41 1bhn s PHE 40 Cb -0.11 -4.31 0.02 0.00 -0.34 0.00 0.00 43.02 38.28 1bhn s PHE 40 CO -0.17 -2.12 0.21 0.00 -1.46 0.00 0.00 175.22 171.68 1bhn s MET 41 N 5.50 0.35 -0.33 10.12 0.23 -0.23 -4.92 119.30 130.03 1bhn s MET 41 Ca 0.60 0.08 -0.29 0.00 -1.03 0.00 0.00 55.69 55.05 1bhn s MET 41 Cb -0.13 0.16 0.02 0.00 -1.53 0.00 0.00 34.83 33.35 1bhn s MET 41 CO 0.28 -0.07 1.07 0.50 -2.03 0.00 0.00 175.02 174.77 1bhn s ARG 42 N -0.40 4.03 0.55 3.16 3.52 -1.26 0.07 118.95 128.63 1bhn s ARG 42 Ca -0.05 1.01 -0.09 0.00 -0.13 0.00 0.00 55.73 56.46 1bhn s ARG 42 Cb -0.03 -3.75 0.14 0.00 -1.56 0.00 0.00 34.95 29.75 1bhn s ARG 42 CO 0.01 -0.93 0.37 0.00 -0.81 0.00 0.00 175.30 173.94 1bhn n ALA 43 N 6.92 -1.86 -3.70 6.12 0.00 -1.26 -4.93 120.51 121.80 1bhn n ALA 43 Ca 0.12 -0.62 -0.22 0.00 0.00 0.00 0.00 53.44 52.72 1bhn n ALA 43 Cb 0.47 -0.05 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 1bhn n ALA 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bhn s SER 44 N -2.51 1.28 0.16 0.00 1.04 -1.26 -4.95 113.70 107.46 1bhn s SER 44 Ca 0.27 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 1bhn s SER 44 Cb -0.04 -0.47 0.30 0.00 0.10 0.00 0.00 66.02 65.91 1bhn s SER 44 CO 0.22 -0.11 0.87 -0.62 0.98 0.00 0.00 173.24 174.58 1bhn n GLU 45 N 4.54 -0.05 -0.26 4.02 1.02 -1.26 0.56 120.64 129.21 1bhn n GLU 45 Ca -0.17 0.86 -0.06 0.00 -0.02 0.00 0.00 57.16 57.77 1bhn n GLU 45 Cb 0.50 -1.31 0.05 0.00 -0.02 0.00 0.00 31.44 30.67 1bhn n GLU 45 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bhn h ASP 46 N 0.00 0.92 0.10 1.62 5.19 -1.98 0.59 116.42 122.87 1bhn h ASP 46 Ca 0.29 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1bhn h ASP 46 Cb 0.48 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1bhn h ASP 46 CO -0.56 0.79 -0.05 0.25 -3.12 0.00 0.00 179.24 176.54 1bhn h LEU 47 N 0.99 -0.12 -0.58 1.55 5.85 1.45 1.78 115.31 126.23 1bhn h LEU 47 Ca 0.25 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1bhn h LEU 47 Cb 0.10 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.06 1bhn h LEU 47 CO -0.03 0.19 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.65 1bhn h LEU 48 N -0.44 -1.86 -0.03 2.25 3.38 0.29 0.37 115.31 119.28 1bhn h LEU 48 Ca -0.01 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1bhn h LEU 48 Cb 0.36 0.79 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1bhn h LEU 48 CO 0.02 -0.35 -0.02 0.29 0.09 0.00 0.00 178.44 178.48 1bhn n LYS 49 N -5.36 -0.01 0.23 1.13 5.02 0.20 -0.16 118.16 119.22 1bhn n LYS 49 Ca -0.01 0.86 0.16 0.00 -2.02 0.00 0.00 58.31 57.29 1bhn n LYS 49 Cb 0.33 -1.28 0.69 0.00 -0.02 0.00 0.00 35.03 34.74 1bhn n LYS 49 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1bhn h GLU 50 N 0.00 0.00 0.00 1.97 4.39 0.30 0.36 114.58 121.60 1bhn h GLU 50 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1bhn h GLU 50 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1bhn h GLU 50 CO -0.02 0.00 -0.53 1.25 -1.16 0.00 0.00 179.01 178.54 1bhn h HIS 51 N 0.00 0.00 -0.08 4.33 2.76 0.32 -3.36 115.15 119.11 1bhn h HIS 51 Ca 0.09 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1bhn h HIS 51 Cb 1.06 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 1bhn h HIS 51 CO 0.00 0.30 0.04 0.66 -1.30 0.00 0.00 177.93 177.63 1bhn n TYR 52 N -4.61 0.27 -0.25 5.26 4.01 -0.24 -4.26 117.16 117.33 1bhn n TYR 52 Ca -0.10 -0.41 -0.04 0.00 -0.16 0.00 0.00 57.90 57.19 1bhn n TYR 52 Cb 0.30 -0.25 0.13 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.22 1.24 0.00 -0.72 6.09 -0.44 -3.01 117.51 120.89 1bhn h ILE 53 Ca 0.04 -0.71 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 1bhn h ILE 53 Cb 0.98 0.31 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1bhn h ILE 53 CO 0.09 0.30 0.00 0.44 -3.07 0.00 0.00 178.15 175.90 1bhn h ASP 54 N 1.07 0.00 -2.20 2.19 5.19 -1.85 -2.41 116.42 118.41 1bhn h ASP 54 Ca 0.26 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 56.09 1bhn h ASP 54 Cb 0.14 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.24 1bhn h ASP 54 CO -0.03 0.00 -0.75 0.18 -3.12 0.00 0.00 179.24 175.52 1bhn n LEU 55 N -2.82 3.44 -0.01 1.55 4.32 -1.14 -4.90 117.00 117.46 1bhn n LEU 55 Ca -0.01 -5.46 -0.17 0.00 -0.02 0.00 0.00 56.01 50.35 1bhn n LEU 55 Cb 0.16 -0.29 -0.10 0.00 -1.62 0.00 0.00 43.42 41.57 1bhn n LEU 55 CO 0.20 2.26 0.28 0.50 -1.22 0.00 0.00 177.39 179.42 1bhn h LYS 56 N 3.31 0.45 0.00 3.23 3.11 -1.48 -3.41 116.57 121.78 1bhn h LYS 56 Ca 0.14 -0.44 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 1bhn h LYS 56 Cb 0.64 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.98 1bhn h LYS 56 CO 0.75 1.09 -0.05 0.38 -2.81 0.00 0.00 179.45 178.81 1bhn h ASP 57 N -0.02 0.00 0.00 4.20 3.04 -1.90 -3.44 116.42 118.30 1bhn h ASP 57 Ca -0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 1bhn h ASP 57 Cb 1.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 1bhn h ASP 57 CO 0.12 0.31 0.00 0.54 -2.04 0.00 0.00 179.24 178.16 1bhn n ARG 58 N -3.56 0.00 0.00 4.15 3.00 -1.26 -4.64 116.66 114.35 1bhn n ARG 58 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 1bhn n ARG 58 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.49 1bhn n ARG 58 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1bhn n PRO 59 N 0.00 0.00 0.00 5.56 -0.02 -1.26 -1.89 135.00 137.39 1bhn n PRO 59 Ca 0.00 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1bhn n PRO 59 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1bhn n PRO 59 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1bhn n PHE 60 N -0.92 0.00 0.00 6.00 -1.74 -1.26 -4.51 117.46 115.04 1bhn n PHE 60 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1bhn n PHE 60 Cb 0.00 -0.49 0.00 0.00 1.52 0.00 0.00 39.48 40.51 1bhn n PHE 60 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1bhn n PHE 61 N -2.78 0.00 0.19 2.97 -0.00 -0.79 0.41 117.46 117.47 1bhn n PHE 61 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1bhn n PHE 61 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 39.60 1bhn n PHE 61 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bhn n ALA 62 N 0.00 1.26 -0.02 3.13 0.00 -1.26 0.55 120.51 124.18 1bhn n ALA 62 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1bhn n ALA 62 Cb 0.00 -1.09 0.12 0.00 0.00 0.00 0.00 19.45 18.48 1bhn n ALA 62 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bhn h GLY 63 N 0.92 0.64 0.16 0.00 0.00 0.79 -1.41 103.07 104.17 1bhn h GLY 63 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1bhn h GLY 63 CO 0.00 0.54 -0.08 -2.00 0.00 0.00 0.00 176.54 175.01 1bhn h LEU 64 N 0.50 -0.18 -1.00 3.11 5.85 -1.28 -2.28 115.31 120.03 1bhn h LEU 64 Ca 0.05 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.07 1bhn h LEU 64 Cb 0.84 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 41.77 1bhn h LEU 64 CO 0.07 -0.08 0.56 0.58 -0.34 0.00 0.00 178.44 179.23 1bhn h VAL 65 N -0.30 0.39 -0.29 1.05 2.07 0.07 0.30 116.25 119.54 1bhn h VAL 65 Ca -0.02 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1bhn h VAL 65 Cb 0.16 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1bhn h VAL 65 CO 0.04 0.08 0.03 0.50 0.02 0.00 0.00 177.57 178.23 1bhn h LYS 66 N 0.42 0.49 -0.08 1.57 3.64 -1.14 -3.07 116.57 118.39 1bhn h LYS 66 Ca 0.69 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.92 1bhn h LYS 66 Cb 1.48 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1bhn h LYS 66 CO -0.56 0.62 0.02 -0.92 -2.27 0.00 0.00 179.45 176.33 1bhn h TYR 67 N 0.30 0.14 0.00 1.91 3.20 -0.52 -1.40 116.97 120.60 1bhn h TYR 67 Ca 0.09 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1bhn h TYR 67 Cb 0.38 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1bhn h TYR 67 CO 0.03 0.33 0.00 -1.33 -1.64 0.00 0.00 178.16 175.55 1bhn n MET 68 N -4.89 0.13 0.00 1.82 2.81 0.90 0.29 117.12 118.18 1bhn n MET 68 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1bhn n MET 68 Cb 0.15 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.64 0.00 0.33 2.03 -0.00 -0.58 -4.47 115.22 113.17 1bhn n HIS 69 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.86 1bhn n HIS 69 Cb 0.05 0.05 0.42 0.00 -0.00 0.00 0.00 29.99 30.50 1bhn n HIS 69 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bhn h SER 70 N 0.00 0.00 -3.83 0.26 4.64 0.49 -3.45 113.55 111.66 1bhn h SER 70 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1bhn h SER 70 Cb 0.90 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.92 1bhn h SER 70 CO 0.00 0.00 -0.21 0.61 -0.87 0.00 0.00 176.83 176.36 1bhn n GLY 71 N 0.66 2.55 3.91 -0.77 0.00 -1.26 -5.12 105.19 105.16 1bhn n GLY 71 Ca 0.03 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 1bhn n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bhn s PRO 72 N -2.81 2.68 0.26 1.61 0.04 -1.26 -4.37 135.00 131.14 1bhn s PRO 72 Ca 0.27 0.07 0.04 0.00 0.04 0.00 0.00 61.00 61.41 1bhn s PRO 72 Cb -0.00 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1bhn s PRO 72 CO 0.19 -0.96 0.01 0.14 0.04 0.00 0.00 177.00 176.41 1bhn s VAL 73 N -3.18 1.12 -0.33 -0.36 -7.23 0.11 -4.04 120.40 106.49 1bhn s VAL 73 Ca 0.57 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 1bhn s VAL 73 Cb -0.11 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1bhn s VAL 73 CO 0.47 -0.24 0.17 -0.69 -0.31 0.00 0.00 175.10 174.49 1bhn s VAL 74 N -3.36 4.58 0.08 1.32 1.01 -0.84 -1.07 120.40 122.13 1bhn s VAL 74 Ca 0.31 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 1bhn s VAL 74 Cb 0.06 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1bhn s VAL 74 CO 0.11 -0.03 0.81 0.00 0.00 0.00 0.00 175.10 175.98 1bhn s ALA 75 N 1.59 3.35 -0.02 5.51 0.00 0.10 -1.42 121.76 130.88 1bhn s ALA 75 Ca 0.04 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 1bhn s ALA 75 Cb -0.18 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1bhn s ALA 75 CO 0.06 0.08 0.26 -1.64 0.00 0.00 0.00 175.76 174.53 1bhn s MET 76 N -0.22 0.60 -0.03 0.00 -1.94 0.68 -0.35 119.30 118.04 1bhn s MET 76 Ca 0.40 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 54.21 1bhn s MET 76 Cb -0.22 0.26 -0.00 0.00 2.01 0.00 0.00 34.83 36.88 1bhn s MET 76 CO 0.25 -0.16 -0.14 0.08 -0.01 0.00 0.00 175.02 175.05 1bhn s VAL 77 N -1.24 1.17 0.02 -6.03 1.01 -0.70 0.03 120.40 114.67 1bhn s VAL 77 Ca -0.13 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1bhn s VAL 77 Cb -0.06 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1bhn s VAL 77 CO 0.03 0.35 -0.04 0.26 0.00 0.00 0.00 175.10 175.70 1bhn s TRP 78 N 0.06 0.37 0.09 5.22 0.52 -0.95 -0.25 118.94 124.00 1bhn s TRP 78 Ca -0.03 -0.31 0.09 0.00 0.02 0.00 0.00 56.10 55.87 1bhn s TRP 78 Cb -0.10 -0.23 -0.03 0.00 -1.15 0.00 0.00 33.47 31.95 1bhn s TRP 78 CO 0.01 -0.08 -0.23 -2.00 0.02 0.00 0.00 176.95 174.67 1bhn s GLU 79 N -0.89 1.38 0.00 4.98 2.12 0.58 -1.39 118.70 125.47 1bhn s GLU 79 Ca -0.07 -1.15 0.00 0.00 0.36 0.00 0.00 54.97 54.11 1bhn s GLU 79 Cb -0.06 -1.65 0.00 0.00 0.26 0.00 0.00 34.13 32.68 1bhn s GLU 79 CO -0.00 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1bhn n GLY 80 N 1.34 2.69 3.59 -1.50 0.00 0.84 0.13 105.19 112.28 1bhn n GLY 80 Ca -0.18 -0.58 -0.54 0.00 0.00 0.00 0.00 46.02 44.71 1bhn n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bhn n LEU 81 N 0.00 1.39 -4.16 0.99 7.94 -1.21 -2.58 117.00 119.37 1bhn n LEU 81 Ca 0.00 1.12 -0.35 0.00 -1.11 0.00 0.00 56.01 55.68 1bhn n LEU 81 Cb 0.00 -1.13 -0.02 0.00 0.53 0.00 0.00 43.42 42.81 1bhn n LEU 81 CO 0.00 -1.15 -0.02 0.59 -1.11 0.00 0.00 177.39 175.70 1bhn n ASN 82 N 2.64 -3.30 -0.08 1.96 3.02 -0.79 -4.83 115.26 113.88 1bhn n ASN 82 Ca 0.20 -0.98 -0.12 0.00 -0.03 0.00 0.00 54.58 53.65 1bhn n ASN 82 Cb 0.16 -2.94 -0.05 0.00 -0.61 0.00 0.00 39.78 36.33 1bhn n ASN 82 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1bhn h VAL 83 N -1.61 1.30 0.00 2.41 2.07 -1.73 -2.43 116.25 116.27 1bhn h VAL 83 Ca -0.59 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1bhn h VAL 83 Cb 1.38 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1bhn h VAL 83 CO 0.76 0.36 0.00 0.52 0.02 0.00 0.00 177.57 179.22 1bhn n VAL 84 N -4.54 0.00 -0.30 2.57 0.31 -1.26 0.53 118.33 115.63 1bhn n VAL 84 Ca -0.05 0.96 0.12 0.00 -0.01 0.00 0.00 64.34 65.37 1bhn n VAL 84 Cb 0.33 -1.60 0.27 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.11 -0.08 5.55 3.64 -1.91 0.89 116.57 124.77 1bhn h LYS 85 Ca 0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1bhn h LYS 85 Cb 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1bhn h LYS 85 CO 0.00 0.07 -0.75 1.15 -2.27 0.00 0.00 179.45 177.65 1bhn h THR 86 N 0.11 1.37 -0.60 1.00 2.02 -0.89 -1.66 112.91 114.26 1bhn h THR 86 Ca 0.54 -2.14 0.10 0.00 0.77 0.00 0.00 66.41 65.68 1bhn h THR 86 Cb 1.09 2.11 -0.07 0.00 -1.74 0.00 0.00 68.15 69.54 1bhn h THR 86 CO -0.75 0.65 0.21 1.23 0.37 0.00 0.00 175.52 177.23 1bhn h GLY 87 N 1.18 0.83 0.06 2.16 0.00 2.01 1.59 103.07 110.91 1bhn h GLY 87 Ca -0.04 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.24 1bhn h GLY 87 CO 0.13 -0.03 -0.31 3.21 0.00 0.00 0.00 176.54 179.54 1bhn h ARG 88 N 0.39 -0.33 -0.78 4.80 3.08 -0.38 0.83 114.38 121.99 1bhn h ARG 88 Ca 0.31 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.53 1bhn h ARG 88 Cb 0.39 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.41 1bhn h ARG 88 CO -0.31 -0.22 0.32 0.28 -1.07 0.00 0.00 179.97 178.96 1bhn h VAL 89 N -0.34 0.65 -0.75 2.04 2.07 -0.31 0.48 116.25 120.09 1bhn h VAL 89 Ca 0.12 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1bhn h VAL 89 Cb 0.53 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1bhn h VAL 89 CO -0.41 0.08 0.45 0.24 0.02 0.00 0.00 177.57 177.95 1bhn h MET 90 N 0.45 0.80 -0.11 1.57 2.86 0.85 -2.65 114.93 118.71 1bhn h MET 90 Ca 0.43 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1bhn h MET 90 Cb 0.67 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1bhn h MET 90 CO -0.41 0.53 0.07 -0.07 1.06 0.00 0.00 176.91 178.08 1bhn h LEU 91 N 0.83 0.13 0.00 1.22 4.07 0.27 -2.52 115.31 119.30 1bhn h LEU 91 Ca 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1bhn h LEU 91 Cb 0.14 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1bhn h LEU 91 CO -0.16 0.13 0.00 0.61 -1.08 0.00 0.00 178.44 177.94 1bhn n GLY 92 N -1.02 1.45 3.77 0.83 0.00 0.14 -1.07 105.19 109.29 1bhn n GLY 92 Ca -0.05 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 1bhn n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bhn s GLU 93 N -1.32 4.56 0.36 1.61 2.56 -1.26 -4.71 118.70 120.50 1bhn s GLU 93 Ca 0.00 1.50 0.17 0.00 0.00 0.00 0.00 54.97 56.64 1bhn s GLU 93 Cb 0.00 -2.92 1.15 0.00 2.00 0.00 0.00 34.13 34.36 1bhn s GLU 93 CO 0.00 0.22 1.66 1.15 -0.56 0.00 0.00 175.26 177.73 1bhn h THR 94 N 2.72 0.27 -3.33 -1.70 2.02 -1.95 -3.35 112.91 107.60 1bhn h THR 94 Ca -0.47 -0.10 -0.61 0.00 0.77 0.00 0.00 66.41 66.00 1bhn h THR 94 Cb 1.20 -0.03 -0.12 0.00 -1.74 0.00 0.00 68.15 67.46 1bhn h THR 94 CO 0.65 0.05 0.53 0.21 0.37 0.00 0.00 175.52 177.33 1bhn s ASN 95 N -4.85 6.37 0.57 4.18 3.84 -1.26 -4.74 114.94 119.05 1bhn s ASN 95 Ca -0.09 -0.26 0.04 0.00 0.21 0.00 0.00 52.86 52.76 1bhn s ASN 95 Cb 0.30 -2.43 0.15 0.00 -0.55 0.00 0.00 41.25 38.72 1bhn s ASN 95 CO 0.79 -1.15 0.92 -2.65 -2.79 0.00 0.00 177.10 172.23 1bhn n PRO 96 N 7.28 0.02 -0.08 0.43 -0.02 -1.26 -1.01 135.00 140.37 1bhn n PRO 96 Ca 0.02 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 62.22 1bhn n PRO 96 Cb 0.48 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1bhn n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bhn h ALA 97 N 0.09 0.33 -0.29 3.55 0.00 -1.89 -3.31 119.26 117.73 1bhn h ALA 97 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bhn h ALA 97 Cb 1.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1bhn h ALA 97 CO -0.00 0.22 0.00 -0.25 0.00 0.00 0.00 179.25 179.22 1bhn n ASP 98 N -4.46 3.54 -4.64 0.00 8.00 -0.18 -4.99 116.55 113.82 1bhn n ASP 98 Ca -0.04 -2.63 -0.39 0.00 0.71 0.00 0.00 54.79 52.44 1bhn n ASP 98 Cb 0.37 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.57 6.40 0.74 -2.24 0.01 -1.18 -4.62 113.70 111.24 1bhn s SER 99 Ca 0.35 0.47 -0.15 0.00 1.31 0.00 0.00 55.95 57.93 1bhn s SER 99 Cb 0.26 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 64.29 1bhn s SER 99 CO 0.11 -0.17 1.23 -0.54 0.41 0.00 0.00 173.24 174.28 1bhn s LYS 100 N 1.82 2.02 0.55 12.44 -0.14 -1.26 -4.25 119.74 130.91 1bhn s LYS 100 Ca 0.19 1.83 -0.19 0.00 -1.36 0.00 0.00 55.97 56.44 1bhn s LYS 100 Cb -0.15 -1.81 -0.05 0.00 -1.68 0.00 0.00 37.83 34.13 1bhn s LYS 100 CO 0.09 -1.95 1.16 -2.14 -0.76 0.00 0.00 175.35 171.75 1bhn s PRO 101 N -3.88 3.25 0.00 -1.68 0.02 -1.26 -2.15 135.00 129.30 1bhn s PRO 101 Ca 0.76 1.70 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1bhn s PRO 101 Cb -0.31 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1bhn s PRO 101 CO 0.46 -0.95 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 1bhn n GLY 102 N 0.30 2.76 3.93 0.52 0.00 -1.26 -4.98 105.19 106.45 1bhn n GLY 102 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.65 3.22 0.04 2.61 -4.23 -0.91 -4.90 115.64 108.82 1bhn s THR 103 Ca 0.00 -0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.21 1bhn s THR 103 Cb 0.00 -3.30 -0.08 0.00 1.34 0.00 0.00 72.50 70.46 1bhn s THR 103 CO 0.00 -0.30 1.27 0.40 -0.54 0.00 0.00 174.62 175.45 1bhn h ILE 104 N -0.26 0.00 -0.54 2.99 1.08 -1.29 -1.28 117.51 118.22 1bhn h ILE 104 Ca -0.45 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.06 1bhn h ILE 104 Cb 1.28 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 1bhn h ILE 104 CO 0.60 0.00 0.29 0.03 -0.69 0.00 0.00 178.15 178.38 1bhn h ARG 105 N -0.50 0.54 -0.92 2.37 3.08 -1.39 0.82 114.38 118.38 1bhn h ARG 105 Ca -0.03 -0.03 0.22 0.00 0.07 0.00 0.00 59.98 60.20 1bhn h ARG 105 Cb 0.43 -0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.23 1bhn h ARG 105 CO -0.02 0.36 0.45 0.78 -1.07 0.00 0.00 179.97 180.47 1bhn h GLY 106 N 0.56 1.61 0.92 0.04 0.00 -1.63 0.63 103.07 105.20 1bhn h GLY 106 Ca 0.23 -0.22 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 1bhn h GLY 106 CO -0.14 -0.23 -1.59 1.22 0.00 0.00 0.00 176.54 175.80 1bhn n ASP 107 N -4.98 0.81 -0.07 0.19 9.92 -0.49 -4.53 116.55 117.41 1bhn n ASP 107 Ca 0.23 0.37 0.03 0.00 -0.53 0.00 0.00 54.79 54.89 1bhn n ASP 107 Cb 0.65 0.13 0.04 0.00 -0.64 0.00 0.00 41.12 41.30 1bhn n ASP 107 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1bhn n PHE 108 N -2.94 0.00 -3.92 1.24 3.72 0.23 -5.06 117.46 110.72 1bhn n PHE 108 Ca -0.14 -0.53 -0.09 0.00 -0.05 0.00 0.00 57.45 56.64 1bhn n PHE 108 Cb 0.94 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 39.33 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 -0.19 0.45 -4.35 0.00 5.41 -1.26 -4.76 119.36 114.66 1bhn n ILE 110 Ca -0.09 -0.16 -0.22 0.00 1.00 0.00 0.00 62.75 63.28 1bhn n ILE 110 Cb 0.63 -0.95 -0.13 0.00 -0.71 0.00 0.00 39.64 38.48 1bhn n ILE 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bhn s GLN 111 N -2.16 1.06 0.09 0.38 -2.07 -1.26 -4.22 119.66 111.48 1bhn s GLN 111 Ca -0.11 -0.97 0.03 0.00 -1.82 0.00 0.00 55.36 52.49 1bhn s GLN 111 Cb 0.03 -1.17 0.15 0.00 -1.09 0.00 0.00 33.01 30.93 1bhn s GLN 111 CO 0.17 0.28 0.85 0.28 -1.32 0.00 0.00 175.29 175.56 1bhn n VAL 112 N 1.49 0.82 0.03 3.63 0.31 -1.26 -0.20 118.33 123.14 1bhn n VAL 112 Ca -0.19 0.56 -0.06 0.00 -0.01 0.00 0.00 64.34 64.65 1bhn n VAL 112 Cb 0.54 -1.56 -0.11 0.00 -0.91 0.00 0.00 33.84 31.79 1bhn n VAL 112 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1bhn h GLY 113 N 0.00 0.00 -5.97 2.92 0.00 -1.93 -3.38 103.07 94.71 1bhn h GLY 113 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1bhn h GLY 113 CO 0.00 0.00 -0.79 0.54 0.00 0.00 0.00 176.54 176.29 1bhn n ARG 114 N -3.14 2.03 -1.49 4.80 5.12 0.72 -4.99 116.66 119.70 1bhn n ARG 114 Ca -0.08 -4.21 -0.35 0.00 -1.93 0.00 0.00 57.85 51.28 1bhn n ARG 114 Cb 0.95 -1.93 0.07 0.00 -1.16 0.00 0.00 32.46 30.39 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 0.75 7.51 0.00 0.55 6.94 -1.22 -4.21 115.26 125.58 1bhn n ASN 115 Ca 0.27 -3.80 0.00 0.00 -0.02 0.00 0.00 54.58 51.04 1bhn n ASN 115 Cb 0.46 -0.96 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 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 -0.83 0.00 -3.83 1.53 -5.35 -1.26 -4.52 119.36 105.09 1bhn n ILE 116 Ca 0.60 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 63.03 1bhn n ILE 116 Cb 0.59 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.50 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 0.00 0.00 0.05 7.28 2.07 -1.26 0.46 121.20 129.79 1bhn s ILE 117 Ca 0.00 -0.78 -0.12 0.00 -1.41 0.00 0.00 60.65 58.35 1bhn s ILE 117 Cb 0.00 -2.66 0.01 0.00 0.13 0.00 0.00 42.46 39.95 1bhn s ILE 117 CO 0.00 0.00 0.25 -2.28 -1.91 0.00 0.00 174.94 171.00 1bhn s HIS 118 N -2.56 -0.02 -0.01 3.50 5.65 0.94 -4.79 115.29 117.99 1bhn s HIS 118 Ca 0.17 -0.18 -0.09 0.00 0.25 0.00 0.00 55.06 55.21 1bhn s HIS 118 Cb -0.04 0.04 0.01 0.00 -1.18 0.00 0.00 32.58 31.41 1bhn s HIS 118 CO 0.07 -0.48 0.18 0.20 -0.65 0.00 0.00 174.74 174.06 1bhn s GLY 119 N -2.16 -0.02 0.93 1.59 0.00 -1.26 -1.14 107.32 105.25 1bhn s GLY 119 Ca -0.04 0.05 -0.16 0.00 0.00 0.00 0.00 44.72 44.57 1bhn s GLY 119 CO -0.04 -0.10 -0.37 1.44 0.00 0.00 0.00 173.10 174.03 1bhn n SER 120 N 1.59 -4.59 0.00 1.64 7.64 -0.88 -4.93 113.62 114.09 1bhn n SER 120 Ca -0.21 0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1bhn n SER 120 Cb 0.56 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1bhn n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bhn n ASP 121 N 1.99 0.70 -3.63 6.43 5.75 -1.26 -4.81 116.55 121.72 1bhn n ASP 121 Ca 0.02 -0.93 -0.08 0.00 -0.01 0.00 0.00 54.79 53.79 1bhn n ASP 121 Cb 0.54 0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.71 1bhn n ASP 121 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1bhn s SER 122 N -0.10 -0.37 0.00 -1.12 1.04 -1.26 -4.97 113.70 106.93 1bhn s SER 122 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1bhn s SER 122 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1bhn s SER 122 CO 0.00 -0.99 0.50 0.52 0.98 0.00 0.00 173.24 174.24 1bhn n VAL 123 N -0.39 0.00 -0.15 5.02 0.31 -1.26 0.26 118.33 122.12 1bhn n VAL 123 Ca -0.10 0.92 0.02 0.00 -0.01 0.00 0.00 64.34 65.17 1bhn n VAL 123 Cb 0.62 -1.75 0.05 0.00 -0.91 0.00 0.00 33.84 31.85 1bhn n VAL 123 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1bhn n GLU 124 N -1.32 -0.05 0.13 5.55 2.13 -1.26 0.41 120.64 126.23 1bhn n GLU 124 Ca 0.00 0.65 -0.14 0.00 0.66 0.00 0.00 57.16 58.33 1bhn n GLU 124 Cb 0.00 -0.97 -0.08 0.00 0.27 0.00 0.00 31.44 30.66 1bhn n GLU 124 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1bhn h SER 125 N 0.00 -0.22 -0.97 4.31 0.02 -1.90 -2.78 113.55 112.01 1bhn h SER 125 Ca 0.19 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1bhn h SER 125 Cb 0.30 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.81 1bhn h SER 125 CO -0.43 -0.12 0.61 0.00 -1.14 0.00 0.00 176.83 175.75 1bhn h ALA 126 N 0.51 1.42 -0.20 3.77 0.00 2.40 0.92 119.26 128.08 1bhn h ALA 126 Ca -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1bhn h ALA 126 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bhn h ALA 126 CO 0.04 0.25 -0.08 0.93 0.00 0.00 0.00 179.25 180.39 1bhn h GLU 127 N 1.00 0.41 -0.72 0.00 5.08 0.22 -0.48 114.58 120.09 1bhn h GLU 127 Ca 0.46 -0.18 0.16 0.00 -1.00 0.00 0.00 59.36 58.81 1bhn h GLU 127 Cb 0.39 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.50 1bhn h GLU 127 CO -0.24 0.69 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.24 1bhn h LYS 128 N 0.12 0.10 -0.50 2.33 3.11 -1.15 0.33 116.57 120.91 1bhn h LYS 128 Ca 0.05 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.81 1bhn h LYS 128 Cb 0.56 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1bhn h LYS 128 CO 0.03 0.07 0.00 0.93 -2.81 0.00 0.00 179.45 177.66 1bhn h GLU 129 N 0.10 0.83 0.76 1.90 5.08 -0.41 0.14 114.58 122.98 1bhn h GLU 129 Ca 0.39 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1bhn h GLU 129 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1bhn h GLU 129 CO -0.64 0.83 -0.50 0.82 -1.00 0.00 0.00 179.01 178.52 1bhn h ILE 130 N 0.77 0.01 -0.78 3.13 2.04 0.12 2.11 117.51 124.91 1bhn h ILE 130 Ca 0.15 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.15 1bhn h ILE 130 Cb 0.46 0.01 -0.14 0.00 -0.74 0.00 0.00 36.82 36.41 1bhn h ILE 130 CO 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.90 1bhn h ALA 131 N -1.11 0.31 -0.40 1.87 0.00 -0.67 0.53 119.26 119.79 1bhn h ALA 131 Ca -0.10 0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1bhn h ALA 131 Cb 0.96 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1bhn h ALA 131 CO 0.08 -0.52 -0.19 1.25 0.00 0.00 0.00 179.25 179.88 1bhn h LEU 132 N -0.05 0.76 -1.23 0.00 5.85 -0.47 -3.28 115.31 116.90 1bhn h LEU 132 Ca 0.34 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1bhn h LEU 132 Cb 0.58 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1bhn h LEU 132 CO -0.82 0.95 -0.23 0.79 -0.34 0.00 0.00 178.44 178.79 1bhn n TRP 133 N -4.13 0.00 -4.00 1.25 7.02 0.71 -4.93 117.44 113.36 1bhn n TRP 133 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.38 1bhn n TRP 133 Cb 0.41 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.19 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 -1.86 0.36 0.52 -5.99 0.40 0.17 -5.06 117.98 106.53 1bhn s PHE 134 Ca 0.17 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 55.85 1bhn s PHE 134 Cb 0.15 -0.24 -0.07 0.00 0.51 0.00 0.00 43.02 43.37 1bhn s PHE 134 CO 0.37 -0.14 1.06 -1.01 0.70 0.00 0.00 175.22 176.19 1bhn s HIS 135 N -1.28 2.95 0.31 0.36 3.76 -1.26 -4.38 115.29 115.75 1bhn s HIS 135 Ca -0.12 1.55 0.06 0.00 -0.15 0.00 0.00 55.06 56.40 1bhn s HIS 135 Cb -0.09 -3.08 0.85 0.00 1.11 0.00 0.00 32.58 31.37 1bhn s HIS 135 CO -0.01 -1.01 1.64 -1.35 -0.85 0.00 0.00 174.74 173.17 1bhn h PRO 136 N 1.19 0.21 -0.74 8.40 0.11 -1.93 -0.49 132.00 138.74 1bhn h PRO 136 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1bhn h PRO 136 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1bhn h PRO 136 CO 0.58 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 178.90 1bhn n GLU 137 N -5.20 0.95 0.00 1.05 4.71 -1.26 -2.70 120.64 118.19 1bhn n GLU 137 Ca 0.25 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.46 1bhn n GLU 137 Cb 0.80 -1.37 0.01 0.00 -1.01 0.00 0.00 31.44 29.87 1bhn n GLU 137 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1bhn n GLU 138 N -0.09 1.58 -2.67 3.49 1.02 -0.19 -4.83 120.64 118.94 1bhn n GLU 138 Ca 0.00 -0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 55.93 1bhn n GLU 138 Cb 0.19 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.43 3.96 -0.49 -4.62 1.02 -1.10 -4.40 118.68 111.61 1bhn s LEU 139 Ca 0.10 -1.57 -0.27 0.00 0.02 0.00 0.00 54.13 52.42 1bhn s LEU 139 Cb 0.09 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.74 1bhn s LEU 139 CO 0.23 -1.39 2.10 -0.69 0.02 0.00 0.00 176.35 176.61 1bhn s VAL 140 N 4.33 3.21 -0.24 -1.59 1.01 -0.66 -4.99 120.40 121.46 1bhn s VAL 140 Ca 0.41 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1bhn s VAL 140 Cb -0.02 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1bhn s VAL 140 CO -0.08 -0.41 0.16 0.54 0.00 0.00 0.00 175.10 175.31 1bhn s ASN 141 N 9.41 6.10 0.33 3.32 4.22 -1.26 -4.64 114.94 132.42 1bhn s ASN 141 Ca 0.84 0.10 0.03 0.00 -2.14 0.00 0.00 52.86 51.68 1bhn s ASN 141 Cb -0.18 -2.10 -0.01 0.00 1.28 0.00 0.00 41.25 40.24 1bhn s ASN 141 CO 0.26 0.05 0.38 0.00 -2.04 0.00 0.00 177.10 175.75 1bhn n TYR 142 N 4.36 -1.10 -4.49 1.54 4.11 -1.26 -5.14 117.16 115.18 1bhn n TYR 142 Ca -0.15 -2.53 -0.28 0.00 -0.00 0.00 0.00 57.90 54.94 1bhn n TYR 142 Cb 0.52 0.41 -0.17 0.00 -0.00 0.00 0.00 39.34 40.11 1bhn n TYR 142 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1bhn s LYS 143 N -3.06 2.11 0.42 -3.48 -0.14 -1.26 -5.12 119.74 109.21 1bhn s LYS 143 Ca 0.34 -0.53 -0.23 0.00 -1.36 0.00 0.00 55.97 54.19 1bhn s LYS 143 Cb 0.00 -1.79 -0.09 0.00 -1.68 0.00 0.00 37.83 34.28 1bhn s LYS 143 CO 0.24 -0.04 1.06 0.45 -0.76 0.00 0.00 175.35 176.29 1bhn s SER 144 N 0.93 6.62 0.06 2.83 0.15 -1.26 -4.97 113.70 118.06 1bhn s SER 144 Ca -0.08 2.03 -0.30 0.00 0.70 0.00 0.00 55.95 58.30 1bhn s SER 144 Cb -0.15 -2.58 -0.18 0.00 -1.71 0.00 0.00 66.02 61.40 1bhn s SER 144 CO -0.00 -0.59 1.55 0.00 1.20 0.00 0.00 173.24 175.40 1bhn n ALA 146 N -2.45 1.46 0.27 0.00 0.00 -1.26 -4.02 120.51 114.51 1bhn n ALA 146 Ca -0.12 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.47 1bhn n ALA 146 Cb 0.31 -1.00 0.69 0.00 0.00 0.00 0.00 19.45 19.46 1bhn n ALA 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1bhn h GLN 147 N 0.36 0.00 -0.13 0.00 3.07 -1.88 -1.00 115.11 115.52 1bhn h GLN 147 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1bhn h GLN 147 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1bhn h GLN 147 CO 0.00 0.08 0.00 0.27 0.09 0.00 0.00 178.83 179.27 1bhn n ASN 148 N -3.27 2.59 0.04 0.06 0.23 -1.26 -1.67 115.26 111.98 1bhn n ASN 148 Ca -0.00 -1.85 0.12 0.00 -0.53 0.00 0.00 54.58 52.32 1bhn n ASN 148 Cb 0.30 -0.07 0.15 0.00 -2.08 0.00 0.00 39.78 38.08 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 0.98 0.38 -0.02 -2.53 7.02 -0.43 -4.23 117.44 118.62 1bhn n TRP 149 Ca 0.17 0.11 -0.20 0.00 -1.02 0.00 0.00 57.50 56.56 1bhn n TRP 149 Cb 0.51 -0.53 -0.14 0.00 -2.42 0.00 0.00 31.31 28.73 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 -1.96 1.73 -4.11 -0.99 5.41 -0.67 -4.94 119.36 113.83 1bhn n ILE 150 Ca 0.03 -0.66 -0.22 0.00 1.00 0.00 0.00 62.75 62.90 1bhn n ILE 150 Cb 0.42 -1.61 -0.17 0.00 -0.71 0.00 0.00 39.64 37.57 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 -2.56 0.91 -2.00 1.39 2.02 -1.03 -5.14 117.35 110.95 1bhn s TYR 151 Ca -0.22 -0.30 0.16 0.00 -0.37 0.00 0.00 57.07 56.34 1bhn s TYR 151 Cb 0.07 -0.81 0.98 0.00 -0.40 0.00 0.00 41.96 41.79 1bhn s TYR 151 CO 0.75 -0.27 1.38 -1.91 -1.57 0.00 0.00 175.55 173.94