#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hra s PRO 2 N 0.00 2.46 -0.33 2.12 0.02 -1.26 -1.24 135.00 136.77 1hra s PRO 2 Ca 0.00 1.37 0.04 0.00 0.02 0.00 0.00 61.00 62.42 1hra s PRO 2 Cb 0.00 -1.91 0.10 0.00 0.02 0.00 0.00 34.50 32.71 1hra s PRO 2 CO 0.00 -1.51 0.03 1.03 -0.33 0.00 0.00 177.00 176.22 1hra s ARG 3 N -4.36 1.54 0.00 5.54 0.52 -1.26 -3.46 118.95 117.47 1hra s ARG 3 Ca 0.66 -1.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1hra s ARG 3 Cb -0.20 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.14 1hra s ARG 3 CO 0.47 -0.90 0.00 0.28 0.02 0.00 0.00 175.30 175.18 1hra n VAL 4 N 4.30 0.00 -4.37 3.52 0.31 -1.26 -5.04 118.33 115.78 1hra n VAL 4 Ca 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.05 1hra n VAL 4 Cb 0.42 -0.38 -0.12 0.00 -0.91 0.00 0.00 33.84 32.86 1hra n VAL 4 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1hra s TYR 5 N 0.00 2.48 -0.12 3.52 1.13 -1.26 -5.08 117.35 118.01 1hra s TYR 5 Ca 0.00 -0.29 -0.06 0.00 -1.41 0.00 0.00 57.07 55.31 1hra s TYR 5 Cb 0.00 -1.33 -0.02 0.00 -1.10 0.00 0.00 41.96 39.51 1hra s TYR 5 CO 0.00 0.36 -0.12 0.87 -2.51 0.00 0.00 175.55 174.15 1hra h LYS 6 N 3.86 0.00 -3.01 -3.49 1.79 -1.81 -2.24 116.57 111.69 1hra h LYS 6 Ca -0.50 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.48 1hra h LYS 6 Cb 1.17 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.83 1hra h LYS 6 CO 0.44 0.00 2.78 -2.30 -1.08 0.00 0.00 179.45 179.29 1hra n PRO 7 N -4.60 2.84 -0.08 3.15 -0.02 -1.13 -0.14 135.00 135.03 1hra n PRO 7 Ca -0.05 -1.73 -0.16 0.00 -2.02 0.00 0.00 63.50 59.54 1hra n PRO 7 Cb 0.17 -2.54 -0.13 0.00 -0.02 0.00 0.00 33.50 30.98 1hra n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hra n PHE 9 N -3.20 0.40 0.00 0.00 7.35 0.14 -2.83 117.46 119.32 1hra n PHE 9 Ca -0.37 -0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.13 1hra n PHE 9 Cb 1.04 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.87 1hra n PHE 9 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1hra n VAL 10 N 0.55 0.00 -3.32 -2.13 0.31 -1.26 -4.77 118.33 107.71 1hra n VAL 10 Ca 0.15 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 64.01 1hra n VAL 10 Cb 0.34 -0.43 -0.02 0.00 -0.91 0.00 0.00 33.84 32.82 1hra n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hra n GLN 12 N 4.08 3.54 0.00 0.00 -0.06 -0.38 -3.13 117.38 121.44 1hra n GLN 12 Ca 0.13 -3.79 0.00 0.00 -2.00 0.00 0.00 57.00 51.35 1hra n GLN 12 Cb 0.47 -2.94 0.00 0.00 -4.06 0.00 0.00 30.24 23.71 1hra n GLN 12 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1hra n ASP 13 N 4.53 0.00 -4.46 1.69 5.75 0.80 -4.58 116.55 120.28 1hra n ASP 13 Ca 0.37 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.82 1hra n ASP 13 Cb 0.39 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.35 1hra n ASP 13 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1hra s LYS 14 N 0.00 2.62 0.19 0.11 -2.85 -1.04 -3.96 119.74 114.81 1hra s LYS 14 Ca 0.00 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1hra s LYS 14 Cb 0.00 -2.41 -0.00 0.00 -2.06 0.00 0.00 37.83 33.36 1hra s LYS 14 CO 0.00 0.57 0.00 -1.13 0.10 0.00 0.00 175.35 174.89 1hra n SER 15 N 2.47 2.42 0.00 0.03 3.41 -1.25 -2.55 113.62 118.15 1hra n SER 15 Ca -0.17 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1hra n SER 15 Cb 0.52 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1hra n SER 15 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1hra n SER 16 N -1.17 0.00 -3.46 4.04 3.41 -1.19 -4.45 113.62 110.80 1hra n SER 16 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.40 1hra n SER 16 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1hra n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hra n GLY 17 N 0.00 -0.37 3.25 5.00 0.00 -1.26 -3.52 105.19 108.29 1hra n GLY 17 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1hra n GLY 17 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1hra n TYR 18 N -1.88 0.36 -4.34 1.61 4.11 -1.26 -4.82 117.16 110.94 1hra n TYR 18 Ca -0.07 -2.14 -0.22 0.00 -0.00 0.00 0.00 57.90 55.47 1hra n TYR 18 Cb 0.22 -0.33 -0.11 0.00 -0.00 0.00 0.00 39.34 39.11 1hra n TYR 18 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 1hra s HIS 19 N -2.52 1.82 0.00 -3.48 3.76 -1.26 -4.91 115.29 108.70 1hra s HIS 19 Ca 0.11 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1hra s HIS 19 Cb -0.01 -0.90 0.00 0.00 1.11 0.00 0.00 32.58 32.78 1hra s HIS 19 CO 0.07 0.34 0.00 0.66 -0.85 0.00 0.00 174.74 174.96 1hra n TYR 20 N 0.23 0.00 0.00 1.40 4.01 -1.26 -4.07 117.16 117.47 1hra n TYR 20 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1hra n TYR 20 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1hra n TYR 20 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hra n GLY 21 N 0.00 -0.60 0.00 2.72 0.00 -1.26 -4.90 105.19 101.14 1hra n GLY 21 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1hra n GLY 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1hra n VAL 22 N 0.00 0.00 -4.21 1.61 3.14 -1.26 -4.44 118.33 113.17 1hra n VAL 22 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 1hra n VAL 22 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.63 1hra n VAL 22 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1hra s SER 23 N 1.00 3.56 0.14 6.55 0.15 -1.26 -5.05 113.70 118.79 1hra s SER 23 Ca 0.00 -0.54 0.10 0.00 0.70 0.00 0.00 55.95 56.22 1hra s SER 23 Cb 0.00 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 1hra s SER 23 CO 0.00 0.02 -0.24 0.00 1.20 0.00 0.00 173.24 174.22 1hra s ALA 24 N 1.18 2.25 -2.00 5.45 0.00 -1.04 0.26 121.76 127.86 1hra s ALA 24 Ca 0.02 -1.47 0.16 0.00 0.00 0.00 0.00 51.96 50.67 1hra s ALA 24 Cb -0.14 -0.31 0.97 0.00 0.00 0.00 0.00 23.12 23.63 1hra s ALA 24 CO -0.06 0.43 1.59 0.00 0.00 0.00 0.00 175.76 177.72 1hra n GLU 26 N -0.76 0.00 -0.21 0.00 0.28 -1.23 -4.06 120.64 114.65 1hra n GLU 26 Ca 0.12 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.24 1hra n GLU 26 Cb 0.06 -0.25 0.42 0.00 1.43 0.00 0.00 31.44 33.09 1hra n GLU 26 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1hra h GLY 27 N 0.00 0.96 1.19 -1.84 0.00 -1.89 -0.20 103.07 101.29 1hra h GLY 27 Ca 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1hra h GLY 27 CO 0.00 0.11 -0.39 0.00 0.00 0.00 0.00 176.54 176.26 1hra h LYS 29 N 0.72 0.56 -0.03 0.00 3.64 -1.74 0.22 116.57 119.94 1hra h LYS 29 Ca 0.06 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1hra h LYS 29 Cb 0.98 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 1hra h LYS 29 CO 0.09 0.37 -0.53 0.78 -2.27 0.00 0.00 179.45 177.90 1hra h GLY 30 N 0.58 -1.08 -0.01 5.01 0.00 -0.72 -1.00 103.07 105.85 1hra h GLY 30 Ca 0.26 0.65 0.25 0.00 0.00 0.00 0.00 47.33 48.49 1hra h GLY 30 CO -0.17 -0.23 0.66 -2.75 0.00 0.00 0.00 176.54 174.05 1hra h PHE 31 N -0.65 0.58 0.07 5.60 3.57 -0.48 0.74 116.94 126.36 1hra h PHE 31 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1hra h PHE 31 Cb 0.71 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1hra h PHE 31 CO -0.52 0.09 -0.03 0.35 -2.23 0.00 0.00 178.31 175.96 1hra h PHE 32 N 0.38 -0.08 -0.70 0.41 3.57 0.29 -0.61 116.94 120.19 1hra h PHE 32 Ca 0.55 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 62.01 1hra h PHE 32 Cb 1.44 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 1hra h PHE 32 CO -0.00 0.48 0.26 0.07 -2.23 0.00 0.00 178.31 176.88 1hra h ARG 33 N -0.90 1.05 -0.47 1.11 0.11 -1.08 0.10 114.38 114.31 1hra h ARG 33 Ca -0.01 -0.19 0.02 0.00 0.10 0.00 0.00 59.98 59.90 1hra h ARG 33 Cb 0.60 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 1hra h ARG 33 CO 0.02 0.87 0.31 -0.09 0.10 0.00 0.00 179.97 181.18 1hra h ARG 34 N 1.03 0.53 0.00 0.08 1.12 -0.57 0.14 114.38 116.71 1hra h ARG 34 Ca 0.23 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.07 1hra h ARG 34 Cb 0.23 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1hra h ARG 34 CO -0.02 0.35 0.00 0.43 -3.11 0.00 0.00 179.97 177.62 1hra n SER 35 N -4.47 0.00 0.10 -3.80 7.64 -0.26 -4.33 113.62 108.49 1hra n SER 35 Ca 0.05 0.41 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 1hra n SER 35 Cb 0.13 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1hra n SER 35 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hra h ILE 36 N 0.00 0.78 -0.37 0.44 2.04 -0.12 0.20 117.51 120.49 1hra h ILE 36 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1hra h ILE 36 Cb 0.00 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1hra h ILE 36 CO 0.00 0.00 0.23 -0.61 0.00 0.00 0.00 178.15 177.77 1hra h GLN 37 N -0.23 0.50 0.00 2.37 4.15 -0.62 -3.36 115.11 117.92 1hra h GLN 37 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1hra h GLN 37 Cb 0.21 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1hra h GLN 37 CO -0.02 0.35 0.00 0.36 -1.93 0.00 0.00 178.83 177.59 1hra n LYS 38 N -4.46 0.00 -2.87 1.69 2.85 -1.12 -3.53 118.16 110.72 1hra n LYS 38 Ca 0.03 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.11 1hra n LYS 38 Cb 0.07 -0.21 -0.01 0.00 -0.65 0.00 0.00 35.03 34.24 1hra n LYS 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1hra n ASN 39 N -2.96 2.23 -4.30 -5.58 6.94 0.65 -4.97 115.26 107.27 1hra n ASN 39 Ca 0.00 -3.14 -0.45 0.00 -0.02 0.00 0.00 54.58 50.98 1hra n ASN 39 Cb 0.00 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 1hra n ASN 39 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 1hra n MET 40 N -0.03 3.65 -3.92 -3.83 0.00 -0.77 -4.77 117.12 107.44 1hra n MET 40 Ca 0.23 -4.44 -0.29 0.00 0.00 0.00 0.00 57.70 53.20 1hra n MET 40 Cb 0.67 -2.57 -0.13 0.00 0.00 0.00 0.00 33.22 31.18 1hra n MET 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1hra s ILE 41 N -1.34 2.61 0.00 3.17 1.01 -1.26 -4.80 121.20 120.59 1hra s ILE 41 Ca 0.32 -3.57 0.00 0.00 0.00 0.00 0.00 60.65 57.39 1hra s ILE 41 Cb -0.08 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1hra s ILE 41 CO -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 174.94 174.02 1hra n TYR 42 N 2.78 0.00 -0.02 3.97 0.18 -1.26 -4.98 117.16 117.83 1hra n TYR 42 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 1hra n TYR 42 Cb 0.33 0.28 0.00 0.00 -0.38 0.00 0.00 39.34 39.57 1hra n TYR 42 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1hra n THR 43 N -1.88 0.00 -0.11 -3.48 -1.04 -1.26 -3.27 114.28 103.24 1hra n THR 43 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1hra n THR 43 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 1hra n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hra n HIS 45 N -3.73 3.47 0.00 0.00 -0.00 -1.20 -1.29 115.22 112.47 1hra n HIS 45 Ca -0.46 -4.22 0.00 0.00 0.46 0.00 0.00 57.72 53.50 1hra n HIS 45 Cb 0.94 -0.63 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 1hra n HIS 45 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1hra n ARG 46 N 1.46 0.00 -4.19 1.57 5.12 -1.26 -4.98 116.66 114.38 1hra n ARG 46 Ca 0.25 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 56.02 1hra n ARG 46 Cb 0.38 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.60 1hra n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1hra s ASP 47 N 0.15 0.72 -0.36 0.55 1.47 -1.26 -5.07 116.67 112.87 1hra s ASP 47 Ca 0.00 -1.47 0.06 0.00 1.18 0.00 0.00 52.55 52.31 1hra s ASP 47 Cb 0.00 0.50 0.64 0.00 -0.34 0.00 0.00 42.92 43.72 1hra s ASP 47 CO 0.00 -1.01 1.79 2.29 0.68 0.00 0.00 175.17 178.92 1hra n LYS 48 N -0.44 2.73 -0.00 2.11 2.85 -1.26 -2.82 118.16 121.33 1hra n LYS 48 Ca 0.03 -2.76 0.02 0.00 -1.05 0.00 0.00 58.31 54.54 1hra n LYS 48 Cb 0.64 -2.10 -0.02 0.00 -0.65 0.00 0.00 35.03 32.90 1hra n LYS 48 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1hra n ASN 49 N -0.61 0.23 -4.73 -5.58 6.94 -1.26 -4.95 115.26 105.30 1hra n ASN 49 Ca 0.47 -0.56 -0.65 0.00 -0.02 0.00 0.00 54.58 53.82 1hra n ASN 49 Cb 1.46 1.00 -0.09 0.00 -2.36 0.00 0.00 39.78 39.79 1hra n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hra s VAL 51 N 2.97 3.32 -0.43 0.00 1.01 0.36 -4.49 120.40 123.13 1hra s VAL 51 Ca 1.03 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.51 1hra s VAL 51 Cb -1.38 -2.37 0.39 0.00 0.00 0.00 0.00 36.38 33.02 1hra s VAL 51 CO 0.77 0.56 0.92 2.30 0.00 0.00 0.00 175.10 179.64 1hra n ILE 52 N 2.87 1.48 0.00 2.22 -0.00 -1.26 -0.46 119.36 124.21 1hra n ILE 52 Ca -0.18 -4.54 0.00 0.00 -0.00 0.00 0.00 62.75 58.04 1hra n ILE 52 Cb 0.53 -0.53 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 1hra n ILE 52 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1hra n ASN 53 N -0.10 0.00 -0.00 7.28 2.04 -1.25 -1.24 115.26 121.99 1hra n ASN 53 Ca 0.26 0.00 0.02 0.00 -0.44 0.00 0.00 54.58 54.41 1hra n ASN 53 Cb 0.63 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.86 1hra n ASN 53 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1hra n LYS 54 N 0.00 4.23 -3.29 -3.83 5.02 -0.84 -4.27 118.16 115.18 1hra n LYS 54 Ca 0.00 -0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 1hra n LYS 54 Cb 0.00 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 1hra n LYS 54 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hra n VAL 55 N -1.24 4.10 -4.15 -0.18 0.31 -0.38 -4.84 118.33 111.96 1hra n VAL 55 Ca 0.00 -5.52 -0.07 0.00 -0.01 0.00 0.00 64.34 58.75 1hra n VAL 55 Cb 0.07 -2.24 -0.01 0.00 -0.91 0.00 0.00 33.84 30.74 1hra n VAL 55 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1hra n THR 56 N 1.70 0.00 0.00 2.52 5.66 -1.26 -4.93 114.28 117.97 1hra n THR 56 Ca 0.25 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1hra n THR 56 Cb 0.36 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1hra n THR 56 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1hra n ARG 57 N -0.26 0.00 -3.52 1.09 1.85 0.39 -4.90 116.66 111.32 1hra n ARG 57 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.63 1hra n ARG 57 Cb 0.14 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.62 1hra n ARG 57 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1hra n ASN 58 N 1.11 -1.88 -4.25 2.89 3.02 -1.26 -5.02 115.26 109.87 1hra n ASN 58 Ca 0.00 -0.69 -0.33 0.00 -0.03 0.00 0.00 54.58 53.53 1hra n ASN 58 Cb 0.00 -4.77 -0.15 0.00 -0.61 0.00 0.00 39.78 34.24 1hra n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hra s ARG 59 N -5.54 3.18 0.13 3.52 3.03 -1.26 -0.49 118.95 121.52 1hra s ARG 59 Ca 0.01 -0.77 -0.03 0.00 2.03 0.00 0.00 55.73 56.97 1hra s ARG 59 Cb -0.00 -2.59 0.01 0.00 -1.03 0.00 0.00 34.95 31.34 1hra s ARG 59 CO 0.76 0.01 0.23 0.00 -1.13 0.00 0.00 175.30 175.16 1hra n GLN 61 N -0.18 0.00 -0.21 0.00 3.00 -1.26 -4.29 117.38 114.43 1hra n GLN 61 Ca -0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1hra n GLN 61 Cb 0.20 -0.30 0.13 0.00 0.00 0.00 0.00 30.24 30.26 1hra n GLN 61 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 1hra h TYR 62 N 0.00 0.37 -0.97 1.08 5.03 -1.59 0.30 116.97 121.19 1hra h TYR 62 Ca 0.00 0.03 0.21 0.00 2.58 0.00 0.00 58.73 61.55 1hra h TYR 62 Cb 0.00 -0.07 -0.18 0.00 1.55 0.00 0.00 36.73 38.03 1hra h TYR 62 CO 0.00 0.06 -0.19 0.00 -1.32 0.00 0.00 178.16 176.70 1hra n ARG 64 N -5.59 2.66 -0.10 0.00 5.12 0.06 -1.43 116.66 117.38 1hra n ARG 64 Ca 0.17 -0.28 -0.06 0.00 -1.93 0.00 0.00 57.85 55.75 1hra n ARG 64 Cb 0.53 -1.09 0.02 0.00 -1.16 0.00 0.00 32.46 30.76 1hra n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1hra h LEU 65 N 0.57 -0.10 0.13 0.55 -0.00 0.47 -1.10 115.31 115.83 1hra h LEU 65 Ca 0.00 0.08 -0.29 0.00 -0.00 0.00 0.00 57.88 57.67 1hra h LEU 65 Cb 0.33 0.13 0.02 0.00 -0.00 0.00 0.00 40.66 41.13 1hra h LEU 65 CO 0.00 -0.02 -1.28 1.56 -0.00 0.00 0.00 178.44 178.71 1hra h GLN 66 N 0.12 0.38 -0.13 1.13 1.08 -0.52 0.68 115.11 117.85 1hra h GLN 66 Ca 0.17 -0.61 -0.15 0.00 -1.45 0.00 0.00 58.65 56.61 1hra h GLN 66 Cb 0.23 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1hra h GLN 66 CO -0.27 1.28 -0.57 0.87 -0.95 0.00 0.00 178.83 179.19 1hra h LYS 67 N 0.12 0.40 -0.50 1.46 1.57 -1.34 -1.50 116.57 116.79 1hra h LYS 67 Ca -0.17 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 1hra h LYS 67 Cb 1.98 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.31 1hra h LYS 67 CO 0.22 0.87 -0.12 0.00 -0.57 0.00 0.00 179.45 179.85 1hra h PHE 69 N 0.83 0.00 -0.43 0.00 0.04 0.41 -0.82 116.94 116.96 1hra h PHE 69 Ca 0.13 0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.03 1hra h PHE 69 Cb 0.66 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 1hra h PHE 69 CO 0.04 0.00 0.51 0.93 -0.60 0.00 0.00 178.31 179.19 1hra h GLU 70 N 0.00 0.00 -2.20 1.51 5.08 -1.03 -0.43 114.58 117.51 1hra h GLU 70 Ca 0.20 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.97 1hra h GLU 70 Cb 0.85 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.68 1hra h GLU 70 CO -0.00 0.00 -0.65 0.28 -1.00 0.00 0.00 179.01 177.63 1hra n VAL 71 N -3.60 2.98 -0.48 3.13 0.31 -0.31 -5.02 118.33 115.34 1hra n VAL 71 Ca 0.08 -5.50 0.00 0.00 -0.01 0.00 0.00 64.34 58.91 1hra n VAL 71 Cb 0.69 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1hra n VAL 71 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hra n GLY 72 N -0.27 0.00 3.77 2.92 0.00 -0.17 -4.57 105.19 106.87 1hra n GLY 72 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 1hra n GLY 72 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hra s MET 73 N 1.79 4.12 -0.80 1.61 -1.94 -1.26 -4.80 119.30 118.02 1hra s MET 73 Ca 0.00 2.56 0.02 0.00 -1.71 0.00 0.00 55.69 56.56 1hra s MET 73 Cb 0.00 -2.98 0.29 0.00 2.01 0.00 0.00 34.83 34.15 1hra s MET 73 CO 0.00 -0.54 1.11 0.43 -0.01 0.00 0.00 175.02 176.01 1hra n SER 74 N 0.72 5.04 -4.37 3.03 7.64 -1.26 -4.45 113.62 119.97 1hra n SER 74 Ca 0.02 -3.50 -0.45 0.00 1.01 0.00 0.00 58.87 55.95 1hra n SER 74 Cb 0.39 -0.88 -0.05 0.00 -1.01 0.00 0.00 64.21 62.66 1hra n SER 74 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1hra s LYS 75 N -2.94 3.04 0.00 1.43 -0.14 -1.26 -4.95 119.74 114.93 1hra s LYS 75 Ca 0.39 -1.33 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 1hra s LYS 75 Cb 0.15 -4.24 0.00 0.00 -1.68 0.00 0.00 37.83 32.05 1hra s LYS 75 CO -0.01 -1.44 0.00 -1.91 -0.76 0.00 0.00 175.35 171.23 1hra n GLU 76 N 6.07 0.00 -3.35 1.68 2.13 -1.26 -4.76 120.64 121.15 1hra n GLU 76 Ca -0.10 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.32 1hra n GLU 76 Cb 0.42 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.11 1hra n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1hra n SER 77 N 0.00 5.17 -4.46 4.31 3.41 -1.26 -5.03 113.62 115.76 1hra n SER 77 Ca 0.00 -3.22 -0.34 0.00 -0.26 0.00 0.00 58.87 55.05 1hra n SER 77 Cb 0.00 -1.17 -0.13 0.00 -0.26 0.00 0.00 64.21 62.66 1hra n SER 77 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hra s VAL 78 N -1.87 3.83 -0.38 -3.33 0.11 -1.26 -0.85 120.40 116.65 1hra s VAL 78 Ca 0.31 -0.37 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1hra s VAL 78 Cb -0.02 -2.70 0.10 0.00 -1.53 0.00 0.00 36.38 32.23 1hra s VAL 78 CO -0.04 0.47 0.14 -0.60 -3.33 0.00 0.00 175.10 171.74 1hra s ARG 79 N 0.66 1.84 0.00 1.54 3.52 -1.23 -2.95 118.95 122.32 1hra s ARG 79 Ca -0.02 -1.81 0.00 0.00 -0.13 0.00 0.00 55.73 53.77 1hra s ARG 79 Cb -0.14 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1hra s ARG 79 CO 0.02 -1.00 0.37 0.27 -0.81 0.00 0.00 175.30 174.15