#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcn s ASP 6 N 0.00 3.12 -0.05 1.69 2.15 -1.26 -5.14 116.67 117.19 1hcn s ASP 6 Ca 0.00 -0.61 0.01 0.00 0.43 0.00 0.00 52.55 52.38 1hcn s ASP 6 Cb 0.00 -0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 42.32 1hcn s ASP 6 CO 0.00 0.24 -0.04 0.00 -0.17 0.00 0.00 175.17 175.20 1hcn s PRO 8 N -1.05 4.26 0.46 0.00 0.04 -1.26 -4.83 135.00 132.62 1hcn s PRO 8 Ca 0.15 2.29 -0.23 0.00 0.04 0.00 0.00 61.00 63.25 1hcn s PRO 8 Cb -0.11 -3.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 1hcn s PRO 8 CO 0.04 -0.45 0.87 -1.91 0.04 0.00 0.00 177.00 175.59 1hcn n GLU 9 N 2.72 1.06 -2.22 4.56 2.13 -1.26 0.95 120.64 128.59 1hcn n GLU 9 Ca 0.08 0.39 -0.42 0.00 0.66 0.00 0.00 57.16 57.87 1hcn n GLU 9 Cb 0.40 -1.93 -0.03 0.00 0.27 0.00 0.00 31.44 30.16 1hcn n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hcn s THR 11 N 2.68 0.00 0.41 0.00 -4.23 0.03 -4.82 115.64 109.72 1hcn s THR 11 Ca 0.64 -0.76 -0.24 0.00 -1.18 0.00 0.00 61.69 60.14 1hcn s THR 11 Cb -0.31 -1.97 -0.08 0.00 1.34 0.00 0.00 72.50 71.48 1hcn s THR 11 CO 0.26 0.00 1.15 -0.76 -0.54 0.00 0.00 174.62 174.72 1hcn s LEU 12 N -2.93 4.14 0.12 4.79 1.43 -1.26 -1.05 118.68 123.92 1hcn s LEU 12 Ca 0.12 2.28 0.04 0.00 -1.03 0.00 0.00 54.13 55.54 1hcn s LEU 12 Cb -0.03 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 1hcn s LEU 12 CO 0.04 -0.70 -0.10 -1.10 0.23 0.00 0.00 176.35 174.71 1hcn s GLN 13 N -2.43 0.96 -0.40 1.70 -1.52 0.22 -4.88 119.66 113.32 1hcn s GLN 13 Ca 0.59 -1.30 -0.27 0.00 -1.95 0.00 0.00 55.36 52.43 1hcn s GLN 13 Cb -0.29 -0.61 0.02 0.00 -0.22 0.00 0.00 33.01 31.92 1hcn s GLN 13 CO 0.36 0.09 0.98 -2.00 -0.25 0.00 0.00 175.29 174.46 1hcn s GLU 14 N -3.24 3.79 -0.54 2.91 2.56 -1.26 0.43 118.70 123.34 1hcn s GLU 14 Ca 0.11 0.55 -0.28 0.00 0.00 0.00 0.00 54.97 55.35 1hcn s GLU 14 Cb -0.00 -3.84 0.01 0.00 2.00 0.00 0.00 34.13 32.30 1hcn s GLU 14 CO 0.00 -1.07 1.44 1.21 -0.56 0.00 0.00 175.26 176.28 1hcn s ASN 15 N 2.03 6.11 0.00 -1.70 3.84 0.11 -4.83 114.94 120.50 1hcn s ASN 15 Ca 0.40 0.38 0.09 0.00 0.21 0.00 0.00 52.86 53.94 1hcn s ASN 15 Cb -0.11 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.56 1hcn s ASN 15 CO 0.22 -1.70 0.93 -0.81 -2.79 0.00 0.00 177.10 172.95 1hcn n PRO 16 N 8.60 0.38 -0.00 0.43 -0.04 -1.26 -2.11 135.00 141.01 1hcn n PRO 16 Ca 0.13 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1hcn n PRO 16 Cb 0.49 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1hcn n PRO 16 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1hcn n PHE 17 N -0.85 0.00 0.07 0.54 3.72 -1.26 -4.54 117.46 115.14 1hcn n PHE 17 Ca 0.06 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.47 1hcn n PHE 17 Cb 0.03 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1hcn n PHE 17 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hcn n PHE 18 N -1.14 0.00 -3.02 1.38 3.72 -1.14 -5.00 117.46 112.26 1hcn n PHE 18 Ca 0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1hcn n PHE 18 Cb 0.06 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 1hcn n PHE 18 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1hcn s SER 19 N -0.72 6.89 0.09 4.37 0.01 -0.89 -4.38 113.70 119.06 1hcn s SER 19 Ca 0.01 1.08 0.08 0.00 1.31 0.00 0.00 55.95 58.43 1hcn s SER 19 Cb 0.01 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1hcn s SER 19 CO 0.04 -0.25 -0.17 -1.10 0.41 0.00 0.00 173.24 172.17 1hcn s GLN 20 N 1.57 1.94 0.22 12.44 1.11 -0.09 -4.92 119.66 131.93 1hcn s GLN 20 Ca 0.35 -1.08 -0.31 0.00 0.01 0.00 0.00 55.36 54.33 1hcn s GLN 20 Cb -0.17 -2.17 -0.14 0.00 -1.01 0.00 0.00 33.01 29.52 1hcn s GLN 20 CO 0.14 0.51 1.26 -2.30 0.01 0.00 0.00 175.29 174.91 1hcn n PRO 21 N 1.08 1.62 0.00 2.91 -0.02 -1.26 0.15 135.00 139.47 1hcn n PRO 21 Ca -0.16 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1hcn n PRO 21 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1hcn n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hcn n GLY 22 N 1.96 2.81 2.58 -1.23 0.00 -1.26 -4.88 105.19 105.17 1hcn n GLY 22 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1hcn n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hcn s ALA 23 N -1.98 0.33 0.26 4.61 0.00 0.12 -5.13 121.76 119.98 1hcn s ALA 23 Ca 0.00 -1.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 1hcn s ALA 23 Cb 0.00 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 1hcn s ALA 23 CO 0.00 -2.11 0.86 -2.14 0.00 0.00 0.00 175.76 172.37 1hcn s PRO 24 N 1.05 4.53 -0.32 0.00 0.02 -1.23 -0.91 135.00 138.14 1hcn s PRO 24 Ca 0.20 1.20 -0.11 0.00 0.02 0.00 0.00 61.00 62.32 1hcn s PRO 24 Cb -0.15 -2.97 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 1hcn s PRO 24 CO -0.04 0.39 0.19 0.42 -0.33 0.00 0.00 177.00 177.64 1hcn s ILE 25 N -1.45 4.90 -0.01 2.83 -1.09 -1.26 -4.92 121.20 120.20 1hcn s ILE 25 Ca 0.44 -0.30 -0.18 0.00 -2.23 0.00 0.00 60.65 58.38 1hcn s ILE 25 Cb -0.20 -3.49 -0.06 0.00 -1.58 0.00 0.00 42.46 37.13 1hcn s ILE 25 CO 0.25 0.05 0.50 -0.76 -1.23 0.00 0.00 174.94 173.74 1hcn s LEU 26 N 1.66 4.43 -0.09 2.97 1.43 -1.26 0.09 118.68 127.91 1hcn s LEU 26 Ca 0.05 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1hcn s LEU 26 Cb -0.17 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1hcn s LEU 26 CO 0.08 0.20 -0.08 -1.58 0.23 0.00 0.00 176.35 175.20 1hcn s GLN 27 N -0.52 1.39 0.01 1.70 0.74 0.17 -0.41 119.66 122.75 1hcn s GLN 27 Ca 0.27 -0.24 -0.30 0.00 0.05 0.00 0.00 55.36 55.14 1hcn s GLN 27 Cb -0.17 -1.39 -0.07 0.00 1.10 0.00 0.00 33.01 32.48 1hcn s GLN 27 CO 0.15 -0.17 1.74 0.00 -0.55 0.00 0.00 175.29 176.46 1hcn s MET 29 N 3.71 0.32 0.00 0.00 -1.94 -0.22 -4.80 119.30 116.37 1hcn s MET 29 Ca 0.78 0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.99 1hcn s MET 29 Cb -0.38 0.15 0.00 0.00 2.01 0.00 0.00 34.83 36.61 1hcn s MET 29 CO 0.34 -0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.71 1hcn n GLY 30 N 2.73 -0.94 3.37 -0.03 0.00 -1.26 -0.79 105.19 108.27 1hcn n GLY 30 Ca -0.14 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1hcn n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hcn s PHE 33 N -3.22 3.70 -0.04 0.00 5.36 -1.26 -4.92 117.98 117.61 1hcn s PHE 33 Ca 0.26 0.92 -0.10 0.00 -0.96 0.00 0.00 56.93 57.05 1hcn s PHE 33 Cb 0.04 -2.24 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 1hcn s PHE 33 CO 0.14 0.65 0.22 -1.54 -1.46 0.00 0.00 175.22 173.23 1hcn s SER 34 N -1.03 -0.14 0.07 6.13 1.04 -1.26 -2.52 113.70 115.99 1hcn s SER 34 Ca 0.22 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.83 1hcn s SER 34 Cb -0.16 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1hcn s SER 34 CO 0.12 -0.28 -0.12 0.00 0.98 0.00 0.00 173.24 173.94 1hcn s ARG 35 N -0.79 0.73 -0.04 4.02 1.70 0.11 -4.99 118.95 119.70 1hcn s ARG 35 Ca -0.09 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.27 1hcn s ARG 35 Cb -0.05 -0.61 0.02 0.00 -0.57 0.00 0.00 34.95 33.74 1hcn s ARG 35 CO 0.02 0.13 -0.04 0.00 -1.08 0.00 0.00 175.30 174.32 1hcn s ALA 36 N -1.46 0.59 0.14 7.88 0.00 -1.26 -0.26 121.76 127.38 1hcn s ALA 36 Ca -0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 1hcn s ALA 36 Cb -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1hcn s ALA 36 CO 0.01 0.01 0.29 1.52 0.00 0.00 0.00 175.76 177.59 1hcn s TYR 37 N 0.76 0.21 0.13 0.00 -0.85 -0.82 -4.98 117.35 111.79 1hcn s TYR 37 Ca -0.10 -0.59 -0.31 0.00 -0.52 0.00 0.00 57.07 55.55 1hcn s TYR 37 Cb -0.13 0.02 -0.10 0.00 0.38 0.00 0.00 41.96 42.14 1hcn s TYR 37 CO -0.00 -0.69 1.68 -2.14 -1.52 0.00 0.00 175.55 172.88 1hcn s PRO 38 N -3.91 4.18 0.16 -3.49 0.02 -1.26 0.14 135.00 130.84 1hcn s PRO 38 Ca 0.11 2.44 -0.31 0.00 0.02 0.00 0.00 61.00 63.26 1hcn s PRO 38 Cb 0.03 -3.40 -0.11 0.00 0.02 0.00 0.00 34.50 31.04 1hcn s PRO 38 CO -0.05 -0.73 1.80 -0.08 -0.33 0.00 0.00 177.00 177.61 1hcn s THR 39 N 2.03 2.27 0.53 0.99 -1.32 -0.52 -4.71 115.64 114.90 1hcn s THR 39 Ca 0.75 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 61.02 1hcn s THR 39 Cb -0.44 -3.00 -0.07 0.00 -1.51 0.00 0.00 72.50 67.48 1hcn s THR 39 CO 0.33 0.00 1.07 -2.65 -2.21 0.00 0.00 174.62 171.15 1hcn n PRO 40 N 4.94 1.25 -0.33 7.08 -0.02 -1.26 -4.81 135.00 141.85 1hcn n PRO 40 Ca 0.17 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 62.16 1hcn n PRO 40 Cb 0.37 -2.22 0.23 0.00 -0.02 0.00 0.00 33.50 31.86 1hcn n PRO 40 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hcn h LEU 41 N 1.08 0.93 -0.28 2.45 6.46 -1.98 -0.47 115.31 123.51 1hcn h LEU 41 Ca -0.48 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.36 1hcn h LEU 41 Cb 1.34 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 41.01 1hcn h LEU 41 CO 0.54 0.57 -0.35 -0.09 -0.62 0.00 0.00 178.44 178.49 1hcn h ARG 42 N 1.04 -0.33 -0.60 1.25 2.43 -1.99 -0.16 114.38 116.02 1hcn h ARG 42 Ca 0.43 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.69 1hcn h ARG 42 Cb 0.29 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 1hcn h ARG 42 CO -0.18 -0.22 0.28 1.03 -1.51 0.00 0.00 179.97 179.37 1hcn h SER 43 N -0.34 0.36 -0.17 -3.80 0.87 -1.49 -1.96 113.55 107.01 1hcn h SER 43 Ca 0.13 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 1hcn h SER 43 Cb 0.56 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1hcn h SER 43 CO -0.46 0.23 0.12 0.11 -0.53 0.00 0.00 176.83 176.29 1hcn h LYS 44 N 0.51 0.00 -0.01 2.24 1.57 0.26 -0.45 116.57 120.69 1hcn h LYS 44 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1hcn h LYS 44 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1hcn h LYS 44 CO -0.23 0.00 -0.08 1.63 -0.57 0.00 0.00 179.45 180.19 1hcn n LYS 45 N -4.42 1.05 -0.04 3.15 4.76 -0.58 -3.81 118.16 118.28 1hcn n LYS 45 Ca 0.01 -0.45 -0.02 0.00 -2.87 0.00 0.00 58.31 54.97 1hcn n LYS 45 Cb 0.25 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.88 1hcn n LYS 45 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1hcn n THR 46 N -0.58 0.49 -2.69 -0.18 -2.24 -0.27 -5.03 114.28 103.78 1hcn n THR 46 Ca 0.17 -0.36 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 1hcn n THR 46 Cb 0.28 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 1hcn n THR 46 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1hcn s MET 47 N -2.35 4.29 -0.19 -0.78 -1.94 -0.65 -4.98 119.30 112.71 1hcn s MET 47 Ca -0.04 1.34 -0.22 0.00 -1.71 0.00 0.00 55.69 55.05 1hcn s MET 47 Cb 0.04 -2.50 -0.21 0.00 2.01 0.00 0.00 34.83 34.17 1hcn s MET 47 CO 0.40 0.01 0.34 1.25 -0.01 0.00 0.00 175.02 177.01 1hcn h LEU 48 N 2.50 0.04 -8.71 -0.03 6.46 -1.93 -3.42 115.31 110.21 1hcn h LEU 48 Ca -0.48 -0.63 -0.67 0.00 -0.12 0.00 0.00 57.88 55.98 1hcn h LEU 48 Cb 1.20 -0.01 -0.17 0.00 -0.73 0.00 0.00 40.66 40.94 1hcn h LEU 48 CO 0.63 1.42 -0.29 -0.69 -0.62 0.00 0.00 178.44 178.88 1hcn s VAL 49 N -2.35 5.17 0.34 1.05 1.01 -1.26 -5.04 120.40 119.33 1hcn s VAL 49 Ca -0.26 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1hcn s VAL 49 Cb 0.04 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1hcn s VAL 49 CO 0.63 -0.13 1.21 -1.10 0.00 0.00 0.00 175.10 175.71 1hcn s GLN 50 N 2.01 4.31 -0.03 2.72 -1.52 -1.26 -5.01 119.66 120.87 1hcn s GLN 50 Ca 0.11 2.00 -0.00 0.00 -1.95 0.00 0.00 55.36 55.52 1hcn s GLN 50 Cb -0.17 -2.96 0.03 0.00 -0.22 0.00 0.00 33.01 29.69 1hcn s GLN 50 CO 0.12 -0.15 0.02 0.15 -0.25 0.00 0.00 175.29 175.18 1hcn s LYS 51 N -1.89 0.17 0.40 2.91 1.02 -1.26 -5.06 119.74 116.03 1hcn s LYS 51 Ca 0.51 0.15 0.18 0.00 0.02 0.00 0.00 55.97 56.83 1hcn s LYS 51 Cb -0.35 -0.45 0.84 0.00 -0.52 0.00 0.00 37.83 37.35 1hcn s LYS 51 CO 0.45 -0.18 1.83 -2.95 -0.92 0.00 0.00 175.35 173.59 1hcn h ASN 52 N 7.48 0.00 -4.05 2.83 -1.07 -1.97 -3.43 115.58 115.37 1hcn h ASN 52 Ca -0.38 0.00 -0.69 0.00 0.07 0.00 0.00 56.30 55.30 1hcn h ASN 52 Cb 1.13 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.15 1hcn h ASN 52 CO 0.42 0.33 -0.81 -0.69 0.07 0.00 0.00 177.43 176.76 1hcn s VAL 53 N -3.94 2.76 -0.21 6.14 1.01 -1.26 -1.44 120.40 123.46 1hcn s VAL 53 Ca -0.02 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1hcn s VAL 53 Cb 0.13 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1hcn s VAL 53 CO 0.68 0.42 -0.02 -0.89 0.00 0.00 0.00 175.10 175.29 1hcn s THR 54 N -0.85 3.66 -0.19 3.92 2.01 0.12 -4.66 115.64 119.65 1hcn s THR 54 Ca 0.13 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 1hcn s THR 54 Cb -0.10 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1hcn s THR 54 CO 0.04 0.43 0.07 -0.55 -0.69 0.00 0.00 174.62 173.91 1hcn s SER 55 N 1.20 5.68 -0.18 3.53 0.15 -1.26 -1.95 113.70 120.88 1hcn s SER 55 Ca 0.03 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.76 1hcn s SER 55 Cb -0.14 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1hcn s SER 55 CO 0.00 0.17 -0.13 -1.61 1.20 0.00 0.00 173.24 172.87 1hcn s GLU 56 N 0.40 3.23 0.26 5.44 2.02 0.64 -5.00 118.70 125.69 1hcn s GLU 56 Ca 0.04 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 1hcn s GLU 56 Cb -0.12 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1hcn s GLU 56 CO 0.00 -0.08 0.36 -1.13 0.02 0.00 0.00 175.26 174.43 1hcn n SER 57 N 4.35 -0.99 -3.71 -0.19 3.41 -1.26 0.07 113.62 115.30 1hcn n SER 57 Ca -0.19 -2.45 -0.14 0.00 -0.26 0.00 0.00 58.87 55.83 1hcn n SER 57 Cb 0.51 1.87 -0.08 0.00 -0.26 0.00 0.00 64.21 66.25 1hcn n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1hcn s THR 58 N -2.74 0.04 0.19 6.66 -4.23 -1.05 -4.72 115.64 109.79 1hcn s THR 58 Ca 0.23 -0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.53 1hcn s THR 58 Cb -0.01 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 1hcn s THR 58 CO 0.16 -0.16 -0.17 0.00 -0.54 0.00 0.00 174.62 173.91 1hcn s VAL 61 N 6.59 0.95 -0.20 0.00 0.11 -0.05 -4.80 120.40 123.00 1hcn s VAL 61 Ca 0.71 -1.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.12 1hcn s VAL 61 Cb -0.18 -1.05 -0.00 0.00 -1.53 0.00 0.00 36.38 33.62 1hcn s VAL 61 CO 0.32 -0.34 1.16 0.00 -3.33 0.00 0.00 175.10 172.90 1hcn s ALA 62 N -1.60 3.67 0.29 1.54 0.00 -1.26 -1.29 121.76 123.12 1hcn s ALA 62 Ca -0.02 0.33 0.22 0.00 0.00 0.00 0.00 51.96 52.49 1hcn s ALA 62 Cb -0.08 -3.59 1.06 0.00 0.00 0.00 0.00 23.12 20.51 1hcn s ALA 62 CO 0.01 -1.11 1.91 -0.22 0.00 0.00 0.00 175.76 176.35 1hcn h LYS 63 N 7.84 0.00 -1.91 0.00 1.63 0.18 -3.44 116.57 120.86 1hcn h LYS 63 Ca -0.23 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1hcn h LYS 63 Cb 1.08 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.49 1hcn h LYS 63 CO 0.97 0.23 0.19 -1.54 -3.45 0.00 0.00 179.45 175.86 1hcn s SER 64 N -6.35 -0.70 0.24 4.20 1.04 -1.15 -4.97 113.70 106.01 1hcn s SER 64 Ca -0.01 1.33 -0.02 0.00 0.48 0.00 0.00 55.95 57.72 1hcn s SER 64 Cb 0.12 1.34 -0.03 0.00 0.10 0.00 0.00 66.02 67.56 1hcn s SER 64 CO 0.64 -0.23 0.26 -0.72 0.98 0.00 0.00 173.24 174.17 1hcn s TYR 65 N 0.45 1.08 -0.16 5.02 -0.85 -1.26 0.06 117.35 121.70 1hcn s TYR 65 Ca -0.00 -1.28 -0.01 0.00 -0.52 0.00 0.00 57.07 55.26 1hcn s TYR 65 Cb -0.05 -0.38 0.04 0.00 0.38 0.00 0.00 41.96 41.95 1hcn s TYR 65 CO -0.02 -0.80 -0.04 -0.80 -1.52 0.00 0.00 175.55 172.37 1hcn s ASN 66 N -3.17 2.67 0.14 -0.18 0.01 0.80 -4.83 114.94 110.38 1hcn s ASN 66 Ca 0.35 -0.60 -0.31 0.00 -0.71 0.00 0.00 52.86 51.59 1hcn s ASN 66 Cb 0.04 -0.83 -0.10 0.00 0.41 0.00 0.00 41.25 40.77 1hcn s ASN 66 CO 0.15 -0.19 1.73 -0.13 -1.51 0.00 0.00 177.10 177.14 1hcn s ARG 67 N 1.69 4.16 -0.17 -0.60 0.52 -1.26 0.21 118.95 123.50 1hcn s ARG 67 Ca 0.01 2.51 -0.09 0.00 -0.52 0.00 0.00 55.73 57.64 1hcn s ARG 67 Cb -0.15 -3.42 0.06 0.00 0.52 0.00 0.00 34.95 31.97 1hcn s ARG 67 CO -0.07 -0.77 0.41 0.08 0.02 0.00 0.00 175.30 174.97 1hcn s VAL 68 N 2.14 -0.08 0.26 3.52 1.01 -0.09 -4.91 120.40 122.25 1hcn s VAL 68 Ca 0.76 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.75 1hcn s VAL 68 Cb -0.45 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 1hcn s VAL 68 CO 0.34 0.04 0.59 -0.89 0.00 0.00 0.00 175.10 175.18 1hcn s THR 69 N 1.51 4.90 0.01 3.92 2.01 -1.26 -0.98 115.64 125.75 1hcn s THR 69 Ca -0.09 0.51 -0.28 0.00 0.31 0.00 0.00 61.69 62.14 1hcn s THR 69 Cb -0.09 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 68.86 1hcn s THR 69 CO -0.13 -0.14 0.64 0.54 -0.69 0.00 0.00 174.62 174.85 1hcn s VAL 70 N -1.90 0.00 -1.25 3.82 0.11 0.87 -4.94 120.40 117.11 1hcn s VAL 70 Ca 0.48 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1hcn s VAL 70 Cb -0.11 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1hcn s VAL 70 CO 0.22 -0.01 0.79 0.23 -3.33 0.00 0.00 175.10 173.00 1hcn n MET 71 N 0.52 -4.74 0.00 1.54 2.81 -1.26 -2.49 117.12 113.50 1hcn n MET 71 Ca -0.18 0.68 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 1hcn n MET 71 Cb 0.59 -5.31 0.00 0.00 -0.71 0.00 0.00 33.22 27.80 1hcn n MET 71 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hcn n GLY 72 N -1.45 1.92 0.00 3.03 0.00 -1.26 -4.48 105.19 102.95 1hcn n GLY 72 Ca -0.26 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1hcn n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcn n GLY 73 N 0.00 -0.86 0.00 -0.02 0.00 -1.24 -4.94 105.19 98.13 1hcn n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hcn n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hcn n PHE 74 N -0.48 0.00 -2.76 1.61 3.72 -1.04 -3.75 117.46 114.76 1hcn n PHE 74 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1hcn n PHE 74 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1hcn n PHE 74 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1hcn s LYS 75 N 0.00 3.71 0.33 -1.08 1.02 -1.26 -0.09 119.74 122.37 1hcn s LYS 75 Ca 0.00 0.44 0.03 0.00 0.02 0.00 0.00 55.97 56.46 1hcn s LYS 75 Cb 0.00 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 33.43 1hcn s LYS 75 CO 0.00 -1.14 0.13 1.55 -0.92 0.00 0.00 175.35 174.97 1hcn n VAL 76 N 6.31 0.00 -4.03 3.17 3.14 -0.16 -4.99 118.33 121.77 1hcn n VAL 76 Ca 0.08 -1.96 -0.12 0.00 -2.96 0.00 0.00 64.34 59.38 1hcn n VAL 76 Cb 0.48 0.72 -0.12 0.00 -1.06 0.00 0.00 33.84 33.87 1hcn n VAL 76 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1hcn s GLU 77 N -3.27 0.41 -0.42 1.45 -1.05 -1.26 -0.92 118.70 113.65 1hcn s GLU 77 Ca 0.18 -0.60 -0.11 0.00 -0.15 0.00 0.00 54.97 54.29 1hcn s GLU 77 Cb 0.01 -0.16 0.06 0.00 -0.44 0.00 0.00 34.13 33.60 1hcn s GLU 77 CO 0.13 0.02 0.28 1.21 0.95 0.00 0.00 175.26 177.84 1hcn s ASN 78 N -1.28 5.78 -0.09 0.83 3.84 0.13 -4.71 114.94 119.43 1hcn s ASN 78 Ca -0.10 -1.33 -0.29 0.00 0.21 0.00 0.00 52.86 51.34 1hcn s ASN 78 Cb -0.08 -2.04 -0.05 0.00 -0.55 0.00 0.00 41.25 38.53 1hcn s ASN 78 CO -0.00 -0.52 1.68 -1.00 -2.79 0.00 0.00 177.10 174.47 1hcn s HIS 79 N 1.51 1.94 -0.05 0.43 3.76 0.45 -0.14 115.29 123.19 1hcn s HIS 79 Ca 0.03 0.25 0.22 0.00 -0.15 0.00 0.00 55.06 55.41 1hcn s HIS 79 Cb -0.22 -3.95 -0.32 0.00 1.11 0.00 0.00 32.58 29.20 1hcn s HIS 79 CO 0.04 -3.75 0.51 0.25 -0.85 0.00 0.00 174.74 170.94 1hcn n THR 80 N 5.78 0.03 -3.58 1.30 -2.24 0.11 -4.54 114.28 111.13 1hcn n THR 80 Ca 0.18 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1hcn n THR 80 Cb 0.43 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 1hcn n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hcn s ALA 81 N -3.51 -1.79 0.36 6.98 0.00 -1.04 -4.95 121.76 117.82 1hcn s ALA 81 Ca -0.08 1.70 0.08 0.00 0.00 0.00 0.00 51.96 53.67 1hcn s ALA 81 Cb 0.14 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1hcn s ALA 81 CO 0.90 -0.35 0.09 0.00 0.00 0.00 0.00 175.76 176.41 1hcn s HIS 83 N -2.52 -0.09 -0.46 0.00 -3.43 -0.41 -4.58 115.29 103.80 1hcn s HIS 83 Ca 0.37 0.04 -0.22 0.00 -0.80 0.00 0.00 55.06 54.45 1hcn s HIS 83 Cb 0.01 0.52 0.03 0.00 -1.43 0.00 0.00 32.58 31.70 1hcn s HIS 83 CO 0.21 -0.17 0.74 0.00 -2.00 0.00 0.00 174.74 173.52 1hcn n SER 85 N 6.58 0.00 -4.59 0.00 2.88 -0.24 -4.82 113.62 113.43 1hcn n SER 85 Ca 0.00 -0.61 -0.45 0.00 -1.33 0.00 0.00 58.87 56.49 1hcn n SER 85 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 1hcn n SER 85 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1hcn n THR 86 N 0.00 1.83 0.98 2.46 -1.04 -1.26 0.17 114.28 117.42 1hcn n THR 86 Ca 0.00 -0.46 0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1hcn n THR 86 Cb 0.00 -0.98 0.26 0.00 -1.82 0.00 0.00 70.33 67.79 1hcn n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hcn n TYR 88 N -1.52 0.00 0.00 0.00 4.01 -1.26 -5.00 117.16 113.39 1hcn n TYR 88 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1hcn n TYR 88 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1hcn n TYR 88 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06