#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 0.00 -0.08 3.17 -0.02 -1.26 -4.97 135.00 131.84 1hra n PRO 2 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1hra n PRO 2 Cb 0.00 -0.03 -0.11 0.00 -0.02 0.00 0.00 33.50 33.34 1hra n PRO 2 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1hra n ARG 3 N 0.00 1.31 0.00 -0.52 0.63 -1.26 -4.98 116.66 111.84 1hra n ARG 3 Ca 0.00 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1hra n ARG 3 Cb 0.00 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1hra n ARG 3 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1hra n VAL 4 N -2.67 0.00 0.00 5.15 0.24 -1.25 -1.86 118.33 117.94 1hra n VAL 4 Ca -0.26 1.18 0.00 0.00 -2.04 0.00 0.00 64.34 63.21 1hra n VAL 4 Cb 0.95 -2.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 1hra n VAL 4 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1hra n TYR 5 N -1.71 0.00 0.00 6.34 4.01 0.25 -4.98 117.16 121.08 1hra n TYR 5 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1hra n TYR 5 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1hra n TYR 5 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1hra n LYS 6 N 0.00 0.00 -0.20 -0.72 0.00 -0.00 -3.88 118.16 113.36 1hra n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1hra n LYS 6 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 35.03 35.02 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 -1.28 0.89 0.00 -1.58 -0.04 -1.09 -1.24 135.00 130.65 1hra n PRO 7 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1hra n PRO 7 Cb 0.00 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.95 1.01 0.00 0.00 7.35 0.92 -3.66 117.46 121.13 1hra n PHE 9 Ca 0.00 -0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.32 1hra n PHE 9 Cb 0.31 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 39.89 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 0.41 0.00 -3.80 -2.13 0.31 -1.06 -4.43 118.33 107.63 1hra n VAL 10 Ca 0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.19 1hra n VAL 10 Cb 0.68 0.11 -0.13 0.00 -0.91 0.00 0.00 33.84 33.59 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 2.89 0.00 0.00 0.00 -0.06 -0.43 -3.42 117.38 116.37 1hra n GLN 12 Ca 0.13 -1.14 0.00 0.00 -2.00 0.00 0.00 57.00 53.99 1hra n GLN 12 Cb 0.35 0.22 0.00 0.00 -4.06 0.00 0.00 30.24 26.75 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 0.14 0.00 0.00 1.69 5.75 -1.16 -0.58 116.55 122.39 1hra n ASP 13 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 1hra n ASP 13 Cb 0.80 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 1hra n ASP 13 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1hra n LYS 14 N 0.00 0.00 -4.36 0.11 0.00 -1.26 -4.24 118.16 108.41 1hra n LYS 14 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 1hra n LYS 14 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 34.87 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 -0.71 1.19 0.50 3.14 1.04 -1.26 -0.82 113.70 116.77 1hra s SER 15 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1hra s SER 15 Cb 0.00 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1hra s SER 15 CO 0.00 0.04 0.00 -1.20 0.98 0.00 0.00 173.24 173.06 1hra n SER 16 N 3.43 0.00 -4.34 7.02 7.64 -1.25 -5.01 113.62 121.11 1hra n SER 16 Ca -0.19 -0.84 -0.34 0.00 1.01 0.00 0.00 58.87 58.50 1hra n SER 16 Cb 0.54 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.60 1hra n SER 16 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1hra s GLY 17 N -2.34 1.60 0.19 0.23 0.00 -1.26 -4.80 107.32 100.94 1hra s GLY 17 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 1hra s GLY 17 CO 0.00 0.25 0.30 1.58 0.00 0.00 0.00 173.10 175.23 1hra n TYR 18 N 4.41 -1.15 0.00 1.90 4.11 -1.26 -4.55 117.16 120.62 1hra n TYR 18 Ca -0.18 -1.18 0.00 0.00 -0.00 0.00 0.00 57.90 56.54 1hra n TYR 18 Cb 0.51 0.34 0.00 0.00 -0.00 0.00 0.00 39.34 40.19 1hra n TYR 18 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1hra n HIS 19 N -0.30 0.00 -3.17 -3.48 8.25 -1.26 -4.91 115.22 110.34 1hra n HIS 19 Ca -0.01 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.00 1hra n HIS 19 Cb 0.31 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 0.33 3.89 -1.92 4.41 -0.85 -1.26 -4.76 117.35 117.19 1hra s TYR 20 Ca 0.00 -2.36 0.00 0.00 -0.52 0.00 0.00 57.07 54.19 1hra s TYR 20 Cb 0.00 -4.03 0.00 0.00 0.38 0.00 0.00 41.96 38.31 1hra s TYR 20 CO 0.00 -1.14 0.00 0.41 -1.52 0.00 0.00 175.55 173.30 1hra n GLY 21 N 3.47 1.03 0.00 5.49 0.00 -1.26 -3.95 105.19 109.97 1hra n GLY 21 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.02 0.00 -4.49 1.61 3.14 -1.26 -4.84 118.33 109.47 1hra n VAL 22 Ca -0.21 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 60.85 1hra n VAL 22 Cb 0.65 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.27 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 0.47 3.07 0.04 6.55 0.15 -1.26 -5.04 113.70 117.68 1hra s SER 23 Ca 0.00 -0.61 0.08 0.00 0.70 0.00 0.00 55.95 56.12 1hra s SER 23 Cb 0.00 -1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 1hra s SER 23 CO 0.00 0.05 -0.22 0.00 1.20 0.00 0.00 173.24 174.27 1hra s ALA 24 N 0.97 2.43 -2.00 5.45 0.00 -0.94 -0.05 121.76 127.61 1hra s ALA 24 Ca -0.03 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1hra s ALA 24 Cb -0.15 -0.62 0.14 0.00 0.00 0.00 0.00 23.12 22.50 1hra s ALA 24 CO -0.05 0.55 0.98 0.00 0.00 0.00 0.00 175.76 177.24 1hra n GLU 26 N -0.54 0.00 -0.36 0.00 0.28 -1.26 -4.06 120.64 114.69 1hra n GLU 26 Ca 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1hra n GLU 26 Cb 0.01 -0.62 0.13 0.00 1.43 0.00 0.00 31.44 32.39 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 1.40 1.45 -1.84 0.00 -1.95 -3.07 103.07 99.07 1hra h GLY 27 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1hra h GLY 27 CO 0.00 0.48 -0.66 0.00 0.00 0.00 0.00 176.54 176.36 1hra h LYS 29 N 0.40 1.12 0.74 0.00 5.09 -1.88 0.10 116.57 122.14 1hra h LYS 29 Ca -0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 60.65 60.62 1hra h LYS 29 Cb 1.24 -0.25 0.00 0.00 0.10 0.00 0.00 32.23 33.32 1hra h LYS 29 CO 0.12 0.74 -0.41 0.78 -2.09 0.00 0.00 179.45 178.59 1hra h GLY 30 N 1.15 -1.14 -0.29 0.07 0.00 -1.34 -2.13 103.07 99.39 1hra h GLY 30 Ca 0.38 0.45 0.30 0.00 0.00 0.00 0.00 47.33 48.46 1hra h GLY 30 CO -0.12 -0.41 0.74 -2.75 0.00 0.00 0.00 176.54 174.00 1hra h PHE 31 N -1.07 0.43 0.22 5.60 3.04 -0.75 0.12 116.94 124.54 1hra h PHE 31 Ca -0.10 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 1hra h PHE 31 Cb 0.84 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.23 1hra h PHE 31 CO -0.07 0.02 -0.10 0.35 -2.02 0.00 0.00 178.31 176.49 1hra h PHE 32 N 0.24 -0.27 -0.86 0.41 3.57 -0.24 -0.74 116.94 119.05 1hra h PHE 32 Ca 0.60 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 62.09 1hra h PHE 32 Cb 1.83 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.62 1hra h PHE 32 CO -0.00 0.08 0.52 0.07 -2.23 0.00 0.00 178.31 176.74 1hra h ARG 33 N -0.96 1.17 -0.73 1.11 0.11 -1.16 0.54 114.38 114.46 1hra h ARG 33 Ca -0.03 -0.10 0.04 0.00 0.10 0.00 0.00 59.98 59.98 1hra h ARG 33 Cb 0.46 -0.25 -0.04 0.00 1.11 0.00 0.00 29.97 31.26 1hra h ARG 33 CO 0.05 0.82 0.48 -0.09 0.10 0.00 0.00 179.97 181.33 1hra h ARG 34 N 1.18 0.86 0.03 0.08 1.12 -0.60 0.21 114.38 117.26 1hra h ARG 34 Ca 0.31 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 59.13 1hra h ARG 34 Cb -0.05 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 29.71 1hra h ARG 34 CO -0.06 0.57 -0.01 0.77 -3.11 0.00 0.00 179.97 178.13 1hra h SER 35 N 0.88 -0.03 0.20 -3.80 0.02 -0.96 -3.25 113.55 106.61 1hra h SER 35 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1hra h SER 35 Cb 0.07 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1hra h SER 35 CO -0.08 0.08 -0.09 0.40 -1.14 0.00 0.00 176.83 175.99 1hra h ILE 36 N -0.23 0.83 -0.43 3.27 2.04 -0.28 0.19 117.51 122.90 1hra h ILE 36 Ca -0.00 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1hra h ILE 36 Cb 0.03 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1hra h ILE 36 CO 0.01 0.03 -0.06 -0.61 0.00 0.00 0.00 178.15 177.52 1hra h GLN 37 N -0.33 0.72 0.00 2.37 4.15 -0.53 -3.39 115.11 118.11 1hra h GLN 37 Ca -0.03 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1hra h GLN 37 Cb 0.25 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1hra h GLN 37 CO 0.04 0.77 0.00 0.36 -1.93 0.00 0.00 178.83 178.08 1hra n LYS 38 N -4.20 0.00 -2.76 1.69 2.85 -1.15 -3.88 118.16 110.71 1hra n LYS 38 Ca 0.02 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.10 1hra n LYS 38 Cb 0.32 -0.42 0.00 0.00 -0.65 0.00 0.00 35.03 34.28 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 -3.45 2.55 -4.35 -5.58 6.94 0.50 -5.02 115.26 106.85 1hra n ASN 39 Ca 0.00 -3.16 -0.36 0.00 -0.02 0.00 0.00 54.58 51.05 1hra n ASN 39 Cb 0.00 -0.53 -0.13 0.00 -2.36 0.00 0.00 39.78 36.75 1hra n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hra s MET 40 N -3.13 3.39 -0.06 -3.83 0.23 -0.29 -4.68 119.30 110.93 1hra s MET 40 Ca 0.38 -0.63 0.01 0.00 -1.03 0.00 0.00 55.69 54.41 1hra s MET 40 Cb 0.40 -3.15 0.02 0.00 -1.53 0.00 0.00 34.83 30.57 1hra s MET 40 CO -0.07 -0.24 -0.04 -1.50 -2.03 0.00 0.00 175.02 171.14 1hra s ILE 41 N 1.51 0.56 -0.28 3.16 2.07 -1.26 -4.99 121.20 121.98 1hra s ILE 41 Ca 0.05 -0.10 -0.25 0.00 -1.41 0.00 0.00 60.65 58.95 1hra s ILE 41 Cb -0.15 -0.61 0.10 0.00 0.13 0.00 0.00 42.46 41.93 1hra s ILE 41 CO -0.01 0.25 0.88 -0.72 -1.91 0.00 0.00 174.94 173.43 1hra s TYR 42 N 1.17 -0.64 -0.33 3.50 -0.85 -1.26 -5.09 117.35 113.85 1hra s TYR 42 Ca -0.07 1.54 0.03 0.00 -0.52 0.00 0.00 57.07 58.05 1hra s TYR 42 Cb -0.14 0.32 0.16 0.00 0.38 0.00 0.00 41.96 42.69 1hra s TYR 42 CO -0.01 -0.31 0.43 0.99 -1.52 0.00 0.00 175.55 175.13 1hra s THR 43 N 0.34 -0.60 0.00 -3.49 2.01 -1.26 -4.99 115.64 107.66 1hra s THR 43 Ca 0.01 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1hra s THR 43 Cb -0.05 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1hra s THR 43 CO -0.03 -0.33 0.00 0.00 -0.69 0.00 0.00 174.62 173.56 1hra n HIS 45 N 0.00 -1.15 0.00 0.00 1.44 -1.26 -3.99 115.22 110.26 1hra n HIS 45 Ca 0.00 0.30 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 1hra n HIS 45 Cb 0.00 -1.86 0.00 0.00 0.12 0.00 0.00 29.99 28.25 1hra n HIS 45 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1hra n ARG 46 N -2.85 0.00 -4.19 -1.40 5.12 -1.26 -4.62 116.66 107.47 1hra n ARG 46 Ca -0.15 0.08 -0.12 0.00 -1.93 0.00 0.00 57.85 55.73 1hra n ARG 46 Cb 0.43 -0.40 -0.10 0.00 -1.16 0.00 0.00 32.46 31.23 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 -1.90 1.36 -0.16 0.55 1.47 -1.26 -5.06 116.67 111.67 1hra s ASP 47 Ca 0.00 -0.95 0.01 0.00 1.18 0.00 0.00 52.55 52.79 1hra s ASP 47 Cb 0.00 0.05 0.22 0.00 -0.34 0.00 0.00 42.92 42.85 1hra s ASP 47 CO 0.00 -0.38 1.36 2.29 0.68 0.00 0.00 175.17 179.11 1hra n LYS 48 N 0.09 1.43 0.00 2.11 2.85 -1.26 -0.87 118.16 122.52 1hra n LYS 48 Ca -0.13 -1.03 0.00 0.00 -1.05 0.00 0.00 58.31 56.10 1hra n LYS 48 Cb 0.60 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 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 -0.02 1.52 -4.65 -5.58 6.94 -1.26 -5.07 115.26 107.15 1hra n ASN 49 Ca 0.20 -1.55 -0.49 0.00 -0.02 0.00 0.00 54.58 52.73 1hra n ASN 49 Cb 0.88 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.25 1hra n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hra n VAL 51 N 5.60 0.00 -1.64 0.00 0.31 -1.26 -4.67 118.33 116.67 1hra n VAL 51 Ca 0.26 -0.45 -0.15 0.00 -0.01 0.00 0.00 64.34 63.98 1hra n VAL 51 Cb 0.29 1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 34.59 1hra n VAL 51 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1hra s ILE 52 N -2.08 3.07 0.00 2.52 -0.00 -1.26 -4.68 121.20 118.77 1hra s ILE 52 Ca 0.26 -0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.82 1hra s ILE 52 Cb 0.20 -3.53 0.00 0.00 -0.00 0.00 0.00 42.46 39.12 1hra s ILE 52 CO 0.35 -0.14 0.00 -0.46 -0.00 0.00 0.00 174.94 174.69 1hra n ASN 53 N 18.61 0.00 -0.00 4.36 0.23 -1.26 -4.79 115.26 132.40 1hra n ASN 53 Ca 0.44 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.55 1hra n ASN 53 Cb 0.45 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.07 1hra n ASN 53 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1hra n LYS 54 N 0.00 1.49 -3.25 -3.83 2.85 -0.78 -4.60 118.16 110.05 1hra n LYS 54 Ca 0.00 -0.07 -0.37 0.00 -1.05 0.00 0.00 58.31 56.83 1hra n LYS 54 Cb 0.00 -1.19 -0.03 0.00 -0.65 0.00 0.00 35.03 33.16 1hra n LYS 54 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1hra n VAL 55 N -1.66 4.00 -4.67 0.58 0.31 -1.26 -4.93 118.33 110.69 1hra n VAL 55 Ca -0.00 -5.57 -0.31 0.00 -0.01 0.00 0.00 64.34 58.45 1hra n VAL 55 Cb 0.26 -2.15 -0.07 0.00 -0.91 0.00 0.00 33.84 30.97 1hra n VAL 55 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1hra s THR 56 N -2.44 0.79 0.21 2.52 -1.32 -1.26 -4.95 115.64 109.19 1hra s THR 56 Ca 0.34 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 1hra s THR 56 Cb 0.06 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 1hra s THR 56 CO 0.03 0.00 0.00 -2.11 -2.21 0.00 0.00 174.62 170.33 1hra n ARG 57 N -1.16 -1.40 0.04 7.08 1.85 -1.26 -5.02 116.66 116.79 1hra n ARG 57 Ca -0.15 1.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.73 1hra n ARG 57 Cb 0.66 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 1hra n ARG 57 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1hra n ASN 58 N -4.20 -0.77 -4.10 2.89 4.05 -1.26 -4.75 115.26 107.12 1hra n ASN 58 Ca -0.01 0.28 -0.22 0.00 0.45 0.00 0.00 54.58 55.07 1hra n ASN 58 Cb 0.58 0.95 -0.15 0.00 1.23 0.00 0.00 39.78 42.40 1hra n ASN 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1hra s ARG 59 N -2.00 1.13 0.37 1.20 3.03 -1.26 -5.04 118.95 116.39 1hra s ARG 59 Ca 0.00 -0.49 0.07 0.00 2.03 0.00 0.00 55.73 57.35 1hra s ARG 59 Cb 0.00 -1.09 -0.07 0.00 -1.03 0.00 0.00 34.95 32.76 1hra s ARG 59 CO 0.00 0.29 -0.02 0.00 -1.13 0.00 0.00 175.30 174.43 1hra n GLN 61 N -0.86 0.00 -0.31 0.00 -0.00 -1.26 -3.55 117.38 111.40 1hra n GLN 61 Ca -0.05 0.07 0.09 0.00 -0.00 0.00 0.00 57.00 57.11 1hra n GLN 61 Cb 0.66 -0.95 0.26 0.00 -0.00 0.00 0.00 30.24 30.21 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 0.81 -0.38 2.61 5.03 -1.94 0.42 116.97 123.52 1hra h TYR 62 Ca 0.00 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.36 1hra h TYR 62 Cb 0.00 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 1hra h TYR 62 CO 0.00 0.16 0.23 0.00 -1.32 0.00 0.00 178.16 177.23 1hra n ARG 64 N -4.86 0.52 -0.07 0.00 1.85 -0.47 -0.27 116.66 113.37 1hra n ARG 64 Ca 0.01 -0.11 -0.08 0.00 -1.00 0.00 0.00 57.85 56.67 1hra n ARG 64 Cb 0.05 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 29.88 1hra n ARG 64 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1hra h LEU 65 N 0.00 0.07 0.00 2.89 -0.00 0.02 0.06 115.31 118.35 1hra h LEU 65 Ca 0.00 0.03 -0.21 0.00 -0.00 0.00 0.00 57.88 57.70 1hra h LEU 65 Cb 0.90 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.55 1hra h LEU 65 CO 0.00 0.07 -1.17 1.56 -0.00 0.00 0.00 178.44 178.91 1hra h GLN 66 N 0.19 0.00 -0.26 1.13 7.50 -0.59 0.63 115.11 123.71 1hra h GLN 66 Ca 0.12 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.18 1hra h GLN 66 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1hra h GLN 66 CO -0.13 0.69 -0.18 0.87 -1.50 0.00 0.00 178.83 178.58 1hra h LYS 67 N 0.00 0.58 -0.07 1.46 1.57 -0.69 -0.74 116.57 118.68 1hra h LYS 67 Ca -0.10 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 1hra h LYS 67 Cb 1.75 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 1hra h LYS 67 CO 0.10 0.86 -0.22 0.00 -0.57 0.00 0.00 179.45 179.61 1hra h PHE 69 N 0.11 0.32 -0.13 0.00 0.04 0.32 -2.17 116.94 115.44 1hra h PHE 69 Ca 0.02 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.83 1hra h PHE 69 Cb 0.46 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1hra h PHE 69 CO 0.00 0.22 0.26 0.93 -0.60 0.00 0.00 178.31 179.12 1hra h GLU 70 N 0.34 0.00 -1.36 1.51 5.08 -0.45 -0.16 114.58 119.54 1hra h GLU 70 Ca 0.09 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.85 1hra h GLU 70 Cb -0.01 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.84 1hra h GLU 70 CO -0.02 0.00 -0.53 0.28 -1.00 0.00 0.00 179.01 177.75 1hra n VAL 71 N -3.34 2.57 -0.11 3.13 0.31 -0.82 -5.03 118.33 115.04 1hra n VAL 71 Ca 0.01 -4.63 -0.01 0.00 -0.01 0.00 0.00 64.34 59.69 1hra n VAL 71 Cb 0.36 -1.23 -0.01 0.00 -0.91 0.00 0.00 33.84 32.05 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 -0.02 3.59 2.92 0.00 -0.07 -4.47 105.19 106.58 1hra n GLY 72 Ca 0.42 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 0.51 0.00 -0.71 1.61 -1.94 -1.26 -4.81 119.30 112.71 1hra s MET 73 Ca 0.05 0.96 0.03 0.00 -1.71 0.00 0.00 55.69 55.03 1hra s MET 73 Cb -0.03 -1.65 0.33 0.00 2.01 0.00 0.00 34.83 35.49 1hra s MET 73 CO 0.02 -3.14 1.20 0.45 -0.01 0.00 0.00 175.02 173.54 1hra n SER 74 N -4.52 5.30 -4.31 3.03 2.88 -1.25 -4.17 113.62 110.57 1hra n SER 74 Ca 0.06 -3.69 -0.46 0.00 -1.33 0.00 0.00 58.87 53.45 1hra n SER 74 Cb 0.54 -0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 63.22 1hra n SER 74 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1hra s LYS 75 N -3.71 3.13 0.00 -1.46 -0.14 -1.26 -4.93 119.74 111.37 1hra s LYS 75 Ca 0.46 -1.93 0.00 0.00 -1.36 0.00 0.00 55.97 53.14 1hra s LYS 75 Cb 0.25 -4.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.09 1hra s LYS 75 CO -0.13 -1.31 0.00 -1.91 -0.76 0.00 0.00 175.35 171.24 1hra n GLU 76 N 4.85 0.00 -3.60 1.68 2.13 -1.26 -4.76 120.64 119.68 1hra n GLU 76 Ca -0.06 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.40 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 4.30 -4.49 4.31 2.88 -1.26 -5.04 113.62 114.33 1hra n SER 77 Ca 0.00 -3.15 -0.34 0.00 -1.33 0.00 0.00 58.87 54.05 1hra n SER 77 Cb 0.00 -1.05 -0.12 0.00 -0.75 0.00 0.00 64.21 62.28 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 -1.49 3.66 -0.84 2.46 0.11 -1.26 -1.74 120.40 121.30 1hra s VAL 78 Ca 0.28 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1hra s VAL 78 Cb -0.06 -2.57 0.22 0.00 -1.53 0.00 0.00 36.38 32.45 1hra s VAL 78 CO -0.11 0.52 0.79 0.54 -3.33 0.00 0.00 175.10 173.51 1hra n ARG 79 N 3.26 2.64 0.00 1.54 1.74 -1.25 -3.05 116.66 121.53 1hra n ARG 79 Ca -0.18 -4.52 0.00 0.00 -0.77 0.00 0.00 57.85 52.38 1hra n ARG 79 Cb 0.53 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 1hra n ARG 79 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38