#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hra n PRO 2 N 0.00 1.59 0.00 0.03 -0.02 -1.26 -2.54 135.00 132.80 1hra n PRO 2 Ca 0.00 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1hra n PRO 2 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1hra n PRO 2 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hra n ARG 3 N -0.18 0.00 0.13 -0.52 5.12 -1.26 -4.59 116.66 115.37 1hra n ARG 3 Ca 0.09 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.94 1hra n ARG 3 Cb 0.41 -0.14 -0.04 0.00 -1.16 0.00 0.00 32.46 31.53 1hra n ARG 3 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1hra h VAL 4 N 0.00 0.00 -4.29 1.55 2.07 -1.97 -3.44 116.25 110.17 1hra h VAL 4 Ca 0.00 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.92 1hra h VAL 4 Cb 0.00 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 29.50 1hra h VAL 4 CO 0.00 0.00 -0.85 -0.72 0.02 0.00 0.00 177.57 176.02 1hra s TYR 5 N -4.09 1.86 0.06 1.57 -0.85 -1.05 -4.93 117.35 109.92 1hra s TYR 5 Ca -0.07 -0.37 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 1hra s TYR 5 Cb 0.01 -1.15 0.00 0.00 0.38 0.00 0.00 41.96 41.21 1hra s TYR 5 CO 0.23 0.04 0.00 0.36 -1.52 0.00 0.00 175.55 174.66 1hra n LYS 6 N 2.13 0.00 -0.04 -3.49 0.00 0.20 -2.84 118.16 114.12 1hra n LYS 6 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1hra n LYS 6 Cb 0.53 -0.50 0.00 0.00 -0.00 0.00 0.00 35.03 35.06 1hra n LYS 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1hra n PRO 7 N -3.32 0.64 -0.02 -1.58 -0.04 -1.15 -2.54 135.00 127.00 1hra n PRO 7 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1hra n PRO 7 Cb 0.18 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 1hra n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hra n PHE 9 N -2.42 1.15 0.00 0.00 7.35 1.00 -3.61 117.46 120.93 1hra n PHE 9 Ca -0.07 -0.55 0.00 0.00 -0.76 0.00 0.00 57.45 56.07 1hra n PHE 9 Cb 0.61 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 40.06 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 0.17 0.00 -3.53 -2.13 0.31 -1.22 -4.81 118.33 107.12 1hra n VAL 10 Ca 0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.09 1hra n VAL 10 Cb 0.81 -0.62 -0.06 0.00 -0.91 0.00 0.00 33.84 33.06 1hra n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hra s GLN 12 N 0.01 4.08 0.00 0.00 2.00 -0.82 -2.91 119.66 122.02 1hra s GLN 12 Ca 0.18 -2.82 0.00 0.00 -2.00 0.00 0.00 55.36 50.71 1hra s GLN 12 Cb -0.15 -4.76 0.00 0.00 0.80 0.00 0.00 33.01 28.89 1hra s GLN 12 CO -0.06 -1.48 0.07 -0.40 -0.50 0.00 0.00 175.29 172.92 1hra n ASP 13 N 4.17 0.00 -0.70 6.67 5.68 -1.13 -4.54 116.55 126.70 1hra n ASP 13 Ca 0.28 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.57 1hra n ASP 13 Cb 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1hra n ASP 13 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1hra n LYS 14 N 0.00 0.00 -3.54 0.11 0.00 -1.26 -4.53 118.16 108.94 1hra n LYS 14 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.08 1hra n LYS 14 Cb 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.20 1hra n LYS 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1hra s SER 15 N -0.10 2.09 -1.35 3.14 1.04 -1.26 0.60 113.70 117.86 1hra s SER 15 Ca 0.00 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 55.79 1hra s SER 15 Cb 0.00 0.04 0.10 0.00 0.10 0.00 0.00 66.02 66.27 1hra s SER 15 CO 0.00 -0.36 2.37 -1.54 0.98 0.00 0.00 173.24 174.69 1hra n SER 16 N 5.29 7.62 0.00 7.02 3.41 -1.26 -4.82 113.62 130.88 1hra n SER 16 Ca -0.06 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 1hra n SER 16 Cb 0.48 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 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 2.12 -0.51 3.32 5.00 0.00 -1.26 -4.64 105.19 109.22 1hra n GLY 17 Ca 0.61 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 1hra n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hra s TYR 18 N 0.00 1.99 0.00 1.61 5.04 -1.26 -5.14 117.35 119.60 1hra s TYR 18 Ca 0.00 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 1hra s TYR 18 Cb 0.00 -1.09 0.00 0.00 0.35 0.00 0.00 41.96 41.22 1hra s TYR 18 CO 0.00 0.25 0.00 0.72 -1.34 0.00 0.00 175.55 175.18 1hra n HIS 19 N 1.05 0.00 -3.67 4.97 8.25 -1.26 -4.95 115.22 119.62 1hra n HIS 19 Ca -0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.89 1hra n HIS 19 Cb 0.53 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.56 1hra n HIS 19 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1hra s TYR 20 N 0.00 3.46 0.00 4.41 -0.85 -1.26 -4.82 117.35 118.28 1hra s TYR 20 Ca 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 57.07 53.94 1hra s TYR 20 Cb 0.00 -3.28 0.00 0.00 0.38 0.00 0.00 41.96 39.06 1hra s TYR 20 CO 0.00 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 173.58 1hra n GLY 21 N 3.56 2.58 0.00 5.49 0.00 -1.26 -3.04 105.19 112.52 1hra n GLY 21 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.28 0.00 -4.03 1.61 3.14 -1.26 -4.94 118.33 112.58 1hra n VAL 22 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1hra n VAL 22 Cb 0.00 -0.41 -0.14 0.00 -1.06 0.00 0.00 33.84 32.23 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 -0.24 4.25 0.07 6.55 0.15 -1.26 -4.78 113.70 118.44 1hra s SER 23 Ca 0.00 -0.38 0.09 0.00 0.70 0.00 0.00 55.95 56.36 1hra s SER 23 Cb 0.00 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.56 1hra s SER 23 CO 0.00 0.01 -0.25 0.00 1.20 0.00 0.00 173.24 174.20 1hra s ALA 24 N 1.30 2.16 -1.76 5.45 0.00 -0.78 -0.00 121.76 128.12 1hra s ALA 24 Ca 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1hra s ALA 24 Cb -0.14 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1hra s ALA 24 CO -0.02 0.50 0.79 0.00 0.00 0.00 0.00 175.76 177.02 1hra n GLU 26 N -0.37 0.00 -0.35 0.00 -0.58 -1.26 -4.01 120.64 114.07 1hra n GLU 26 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1hra n GLU 26 Cb 0.05 -0.20 0.21 0.00 -0.57 0.00 0.00 31.44 30.93 1hra n GLU 26 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1hra h GLY 27 N 0.00 1.55 1.01 0.62 0.00 -1.99 -0.43 103.07 103.83 1hra h GLY 27 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 1hra h GLY 27 CO 0.00 0.19 -0.63 0.00 0.00 0.00 0.00 176.54 176.09 1hra h LYS 29 N 0.29 0.38 0.41 0.00 3.11 -1.79 0.32 116.57 119.29 1hra h LYS 29 Ca -0.05 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 1hra h LYS 29 Cb 1.28 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.41 1hra h LYS 29 CO 0.13 0.25 -0.34 0.78 -2.81 0.00 0.00 179.45 177.46 1hra h GLY 30 N 0.39 -0.83 0.07 5.01 0.00 -0.83 -1.80 103.07 105.07 1hra h GLY 30 Ca 0.34 0.38 0.24 0.00 0.00 0.00 0.00 47.33 48.30 1hra h GLY 30 CO -0.36 -0.30 0.65 -2.75 0.00 0.00 0.00 176.54 173.78 1hra h PHE 31 N -0.75 0.53 0.07 5.60 3.04 -0.38 0.67 116.94 125.72 1hra h PHE 31 Ca -0.04 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1hra h PHE 31 Cb 0.65 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1hra h PHE 31 CO -0.16 0.09 -0.03 0.35 -2.02 0.00 0.00 178.31 176.54 1hra h PHE 32 N 0.36 -0.09 -0.96 0.41 3.57 0.14 0.85 116.94 121.21 1hra h PHE 32 Ca 0.53 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.09 1hra h PHE 32 Cb 1.41 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.11 1hra h PHE 32 CO -0.00 0.49 0.62 -0.09 -2.23 0.00 0.00 178.31 177.10 1hra h ARG 33 N -0.81 1.07 0.96 1.11 2.43 -1.14 0.20 114.38 118.19 1hra h ARG 33 Ca -0.01 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1hra h ARG 33 Cb 0.61 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1hra h ARG 33 CO 0.02 0.70 -0.46 -0.09 -1.51 0.00 0.00 179.97 178.63 1hra h ARG 34 N 1.10 -1.25 -0.89 0.20 9.65 -0.51 -0.16 114.38 122.53 1hra h ARG 34 Ca 0.42 0.08 -0.48 0.00 -1.10 0.00 0.00 59.98 58.90 1hra h ARG 34 Cb 0.21 0.28 -0.28 0.00 -1.39 0.00 0.00 29.97 28.80 1hra h ARG 34 CO -0.17 -0.83 0.53 0.43 2.80 0.00 0.00 179.97 182.74 1hra n SER 35 N -5.52 4.01 0.06 -3.80 7.64 0.26 -0.79 113.62 115.49 1hra n SER 35 Ca -0.16 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.05 1hra n SER 35 Cb 0.51 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1hra n SER 35 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1hra n ILE 36 N -1.11 0.95 -0.31 0.44 5.41 0.69 -4.15 119.36 121.28 1hra n ILE 36 Ca 0.56 0.31 0.02 0.00 1.00 0.00 0.00 62.75 64.64 1hra n ILE 36 Cb 1.44 -1.41 0.20 0.00 -0.71 0.00 0.00 39.64 39.17 1hra n ILE 36 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1hra h GLN 37 N 0.00 1.09 0.00 0.38 4.15 -1.00 -3.35 115.11 116.38 1hra h GLN 37 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1hra h GLN 37 Cb 0.07 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1hra h GLN 37 CO 0.00 0.72 -0.71 0.36 -1.93 0.00 0.00 178.83 177.27 1hra n LYS 38 N -4.45 0.00 -2.68 1.69 2.85 -1.21 -4.25 118.16 110.12 1hra n LYS 38 Ca 0.12 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.15 1hra n LYS 38 Cb 0.11 -0.46 -0.01 0.00 -0.65 0.00 0.00 35.03 34.03 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 -3.08 3.69 -4.62 -5.58 0.23 0.03 -5.01 115.26 100.92 1hra n ASN 39 Ca 0.00 -3.45 -0.33 0.00 -0.53 0.00 0.00 54.58 50.26 1hra n ASN 39 Cb 0.36 -0.51 -0.10 0.00 -2.08 0.00 0.00 39.78 37.44 1hra n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hra s MET 40 N -3.35 2.76 0.10 -3.83 0.23 -1.26 -4.33 119.30 109.62 1hra s MET 40 Ca 0.43 -0.57 0.00 0.00 -1.03 0.00 0.00 55.69 54.52 1hra s MET 40 Cb 0.38 -2.62 0.00 0.00 -1.53 0.00 0.00 34.83 31.06 1hra s MET 40 CO -0.12 0.65 0.00 1.51 -2.03 0.00 0.00 175.02 175.03 1hra n ILE 41 N 1.90 0.30 0.00 3.16 3.06 -1.26 -5.00 119.36 121.53 1hra n ILE 41 Ca -0.17 0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.18 1hra n ILE 41 Cb 0.53 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.69 1hra n ILE 41 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hra n TYR 42 N -3.12 -0.34 0.00 9.51 4.11 -1.26 -5.07 117.16 120.99 1hra n TYR 42 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1hra n TYR 42 Cb 0.13 0.08 0.00 0.00 -0.00 0.00 0.00 39.34 39.55 1hra n TYR 42 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1hra n THR 43 N -2.09 0.00 0.00 -3.48 -1.04 -1.26 -4.16 114.28 102.25 1hra n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1hra n THR 43 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1hra n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hra s HIS 45 N 0.00 2.75 0.00 0.00 3.76 -1.26 -1.52 115.29 119.03 1hra s HIS 45 Ca 0.00 -2.91 0.00 0.00 -0.15 0.00 0.00 55.06 52.00 1hra s HIS 45 Cb 0.00 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 31.20 1hra s HIS 45 CO 0.00 -0.76 0.00 0.54 -0.85 0.00 0.00 174.74 173.67 1hra n ARG 46 N 3.27 0.00 -4.24 1.40 1.74 -1.26 -4.97 116.66 112.60 1hra n ARG 46 Ca 0.06 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 1hra n ARG 46 Cb 0.33 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.67 1hra n ARG 46 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1hra s ASP 47 N -0.47 0.71 -0.26 0.55 1.47 -1.26 -5.06 116.67 112.35 1hra s ASP 47 Ca 0.00 -1.32 0.06 0.00 1.18 0.00 0.00 52.55 52.47 1hra s ASP 47 Cb 0.00 0.25 0.54 0.00 -0.34 0.00 0.00 42.92 43.37 1hra s ASP 47 CO 0.00 -0.74 1.56 2.29 0.68 0.00 0.00 175.17 178.96 1hra n LYS 48 N -0.30 2.78 -0.10 2.11 2.85 -1.26 -2.13 118.16 122.11 1hra n LYS 48 Ca -0.01 -2.25 0.04 0.00 -1.05 0.00 0.00 58.31 55.04 1hra n LYS 48 Cb 0.65 -1.95 0.06 0.00 -0.65 0.00 0.00 35.03 33.14 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 -0.19 1.64 -4.71 -5.58 6.94 -1.26 -4.89 115.26 107.21 1hra n ASN 49 Ca 0.33 -2.33 -0.42 0.00 -0.02 0.00 0.00 54.58 52.14 1hra n ASN 49 Cb 1.18 -0.20 -0.03 0.00 -2.36 0.00 0.00 39.78 38.36 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 1.74 3.02 -0.16 0.00 1.01 0.36 -4.49 120.40 121.89 1hra s VAL 51 Ca 0.77 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1hra s VAL 51 Cb -0.48 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 33.72 1hra s VAL 51 CO 0.34 0.55 0.14 0.27 0.00 0.00 0.00 175.10 176.39 1hra s ILE 52 N 0.02 -0.19 0.00 2.22 -0.00 -1.26 -0.73 121.20 121.26 1hra s ILE 52 Ca -0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.59 1hra s ILE 52 Cb -0.14 -0.53 0.00 0.00 -0.00 0.00 0.00 42.46 41.79 1hra s ILE 52 CO 0.04 -0.15 0.00 -0.46 -0.00 0.00 0.00 174.94 174.37 1hra n ASN 53 N 5.30 0.00 -2.78 4.36 6.94 -1.24 -4.08 115.26 123.75 1hra n ASN 53 Ca -0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.48 1hra n ASN 53 Cb 0.49 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.97 1hra n ASN 53 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1hra n LYS 54 N 0.00 1.56 -0.12 -3.83 0.00 -1.26 -1.93 118.16 112.58 1hra n LYS 54 Ca 0.00 -3.27 0.06 0.00 -0.00 0.00 0.00 58.31 55.10 1hra n LYS 54 Cb 0.00 -1.36 0.12 0.00 -0.00 0.00 0.00 35.03 33.79 1hra n LYS 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1hra n VAL 55 N -0.54 0.67 -0.74 0.58 0.31 -1.26 -5.05 118.33 112.31 1hra n VAL 55 Ca 0.06 -0.84 0.00 0.00 -0.01 0.00 0.00 64.34 63.55 1hra n VAL 55 Cb 0.81 0.74 0.00 0.00 -0.91 0.00 0.00 33.84 34.48 1hra n VAL 55 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1hra n THR 56 N 0.54 0.00 -2.78 2.52 -2.24 -1.26 -5.11 114.28 105.95 1hra n THR 56 Ca 0.10 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 1hra n THR 56 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1hra n THR 56 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1hra n ARG 57 N 0.00 -3.04 -3.74 -0.78 1.85 0.09 -4.96 116.66 106.09 1hra n ARG 57 Ca 0.00 2.52 -0.25 0.00 -1.00 0.00 0.00 57.85 59.12 1hra n ARG 57 Cb 0.00 -5.43 0.04 0.00 -1.05 0.00 0.00 32.46 26.02 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 0.32 -3.51 -4.26 2.89 3.02 -1.26 -5.05 115.26 107.40 1hra n ASN 58 Ca 0.05 -0.74 -0.30 0.00 -0.03 0.00 0.00 54.58 53.56 1hra n ASN 58 Cb 0.19 -4.27 -0.16 0.00 -0.61 0.00 0.00 39.78 34.93 1hra n ASN 58 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1hra s ARG 59 N -6.21 2.19 0.00 3.52 6.06 -1.26 -0.49 118.95 122.76 1hra s ARG 59 Ca 0.35 -0.86 0.00 0.00 -2.50 0.00 0.00 55.73 52.72 1hra s ARG 59 Cb -0.17 -1.98 0.00 0.00 0.06 0.00 0.00 34.95 32.86 1hra s ARG 59 CO 0.80 0.45 0.00 0.00 -2.50 0.00 0.00 175.30 174.04 1hra n GLN 61 N 0.00 0.00 -0.18 0.00 6.02 -1.13 -4.28 117.38 117.81 1hra n GLN 61 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1hra n GLN 61 Cb 0.00 -0.01 0.09 0.00 1.02 0.00 0.00 30.24 31.33 1hra n GLN 61 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1hra h TYR 62 N 0.00 0.18 -0.91 1.08 5.03 -1.59 0.16 116.97 120.92 1hra h TYR 62 Ca 0.00 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.45 1hra h TYR 62 Cb 0.00 0.00 -0.13 0.00 1.55 0.00 0.00 36.73 38.16 1hra h TYR 62 CO 0.00 -0.02 -0.45 0.00 -1.32 0.00 0.00 178.16 176.37 1hra n ARG 64 N -5.24 0.43 -0.17 0.00 5.12 -0.38 -0.34 116.66 116.08 1hra n ARG 64 Ca 0.06 -0.09 -0.02 0.00 -1.93 0.00 0.00 57.85 55.86 1hra n ARG 64 Cb 0.30 -1.55 0.07 0.00 -1.16 0.00 0.00 32.46 30.12 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 0.00 0.23 0.02 0.55 -0.00 -0.06 0.92 115.31 116.97 1hra h LEU 65 Ca 0.00 0.06 -0.28 0.00 -0.00 0.00 0.00 57.88 57.66 1hra h LEU 65 Cb 0.83 0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.49 1hra h LEU 65 CO 0.00 0.16 -1.52 1.56 -0.00 0.00 0.00 178.44 178.63 1hra h GLN 66 N 0.40 0.04 0.00 1.13 7.50 -0.25 0.61 115.11 124.54 1hra h GLN 66 Ca 0.26 -0.07 -0.12 0.00 0.50 0.00 0.00 58.65 59.22 1hra h GLN 66 Cb 0.27 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.80 1hra h GLN 66 CO -0.24 0.72 -0.59 0.87 -1.50 0.00 0.00 178.83 178.08 1hra h LYS 67 N 0.01 0.00 0.03 1.46 1.57 -0.69 -1.24 116.57 117.71 1hra h LYS 67 Ca -0.22 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.33 1hra h LYS 67 Cb 1.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.24 1hra h LYS 67 CO 0.10 0.59 -1.15 0.00 -0.57 0.00 0.00 179.45 178.42 1hra h PHE 69 N 0.02 0.00 -0.21 0.00 0.04 0.28 -0.16 116.94 116.92 1hra h PHE 69 Ca -0.08 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.75 1hra h PHE 69 Cb 1.85 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.99 1hra h PHE 69 CO 0.02 0.00 0.37 0.93 -0.60 0.00 0.00 178.31 179.02 1hra h GLU 70 N 0.00 0.00 -1.40 1.51 5.08 -1.18 0.20 114.58 118.79 1hra h GLU 70 Ca 0.09 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.84 1hra h GLU 70 Cb 0.60 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.45 1hra h GLU 70 CO -0.00 0.00 -0.43 0.28 -1.00 0.00 0.00 179.01 177.86 1hra n VAL 71 N -3.36 2.63 0.00 3.13 0.31 -0.07 -5.02 118.33 115.95 1hra n VAL 71 Ca 0.03 -4.60 0.00 0.00 -0.01 0.00 0.00 64.34 59.75 1hra n VAL 71 Cb 0.48 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 -0.56 0.00 3.78 2.92 0.00 0.06 -4.35 105.19 107.04 1hra n GLY 72 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 3.97 -0.80 1.61 -1.94 -1.26 -4.74 119.30 116.13 1hra s MET 73 Ca 0.00 1.52 0.02 0.00 -1.71 0.00 0.00 55.69 55.52 1hra s MET 73 Cb 0.00 -2.38 0.31 0.00 2.01 0.00 0.00 34.83 34.77 1hra s MET 73 CO 0.00 -0.32 1.26 0.43 -0.01 0.00 0.00 175.02 176.38 1hra n SER 74 N -0.43 5.53 -4.35 3.03 7.64 -1.17 -4.03 113.62 119.84 1hra n SER 74 Ca 0.07 -3.61 -0.45 0.00 1.01 0.00 0.00 58.87 55.89 1hra n SER 74 Cb 0.50 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.79 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 -3.46 3.08 0.00 1.43 -0.14 -1.26 -4.94 119.74 114.44 1hra s LYS 75 Ca 0.42 -1.56 0.00 0.00 -1.36 0.00 0.00 55.97 53.47 1hra s LYS 75 Cb 0.20 -4.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.03 1hra s LYS 75 CO -0.08 -1.46 0.00 -1.91 -0.76 0.00 0.00 175.35 171.15 1hra n GLU 76 N 5.78 0.00 -3.58 1.68 2.13 -1.26 -4.66 120.64 120.74 1hra n GLU 76 Ca -0.08 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.39 1hra n GLU 76 Cb 0.42 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.07 1hra n GLU 76 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1hra n SER 77 N 0.00 4.25 -4.52 4.31 2.88 -1.26 -5.04 113.62 114.24 1hra n SER 77 Ca 0.00 -3.21 -0.34 0.00 -1.33 0.00 0.00 58.87 53.99 1hra n SER 77 Cb 0.00 -0.99 -0.12 0.00 -0.75 0.00 0.00 64.21 62.35 1hra n SER 77 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1hra s VAL 78 N -1.68 4.08 -0.80 2.46 0.11 -1.26 -1.18 120.40 122.13 1hra s VAL 78 Ca 0.29 -0.29 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 1hra s VAL 78 Cb -0.03 -2.81 0.25 0.00 -1.53 0.00 0.00 36.38 32.26 1hra s VAL 78 CO -0.10 0.47 0.90 0.54 -3.33 0.00 0.00 175.10 173.58 1hra n ARG 79 N 3.66 2.92 0.00 1.54 1.74 -1.26 -3.28 116.66 121.98 1hra n ARG 79 Ca -0.17 -4.59 0.00 0.00 -0.77 0.00 0.00 57.85 52.32 1hra n ARG 79 Cb 0.52 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1hra n ARG 79 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38