#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 4.42 0.22 0.03 0.04 -1.26 -4.21 135.00 134.24 1hra s PRO 2 Ca 0.00 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1hra s PRO 2 Cb 0.00 -3.36 -0.16 0.00 0.04 0.00 0.00 34.50 31.02 1hra s PRO 2 CO 0.00 -0.27 0.86 2.89 0.04 0.00 0.00 177.00 180.51 1hra n ARG 3 N 4.04 0.73 -0.07 4.56 1.85 -1.26 -4.69 116.66 121.83 1hra n ARG 3 Ca 0.09 0.26 -0.06 0.00 -1.00 0.00 0.00 57.85 57.14 1hra n ARG 3 Cb 0.46 -1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 30.32 1hra n ARG 3 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 1hra h VAL 4 N 1.79 0.21 0.00 8.89 3.04 -1.90 -3.51 116.25 124.77 1hra h VAL 4 Ca -0.36 -1.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.11 1hra h VAL 4 Cb 1.38 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1hra h VAL 4 CO 0.61 0.07 0.00 -1.22 -1.01 0.00 0.00 177.57 176.02 1hra n TYR 5 N -4.64 0.00 0.00 3.17 4.02 -1.26 -5.05 117.16 113.39 1hra n TYR 5 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1hra n TYR 5 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1hra n TYR 5 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1hra n LYS 6 N 0.00 0.00 -0.34 -0.72 0.00 0.96 -4.36 118.16 113.70 1hra n LYS 6 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 1hra n LYS 6 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 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 0.00 0.69 0.00 -1.58 -0.04 -1.19 -1.20 135.00 131.68 1hra n PRO 7 Ca 0.00 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1hra n PRO 7 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.61 1.50 0.00 0.00 -0.00 0.63 -3.76 117.46 114.22 1hra n PHE 9 Ca 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 57.45 56.60 1hra n PHE 9 Cb 0.14 -0.50 0.00 0.00 -0.00 0.00 0.00 39.48 39.12 1hra n PHE 9 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1hra n VAL 10 N -0.05 0.00 -3.89 -2.13 0.31 -1.15 -4.01 118.33 107.41 1hra n VAL 10 Ca 0.26 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.29 1hra n VAL 10 Cb 1.00 -0.39 -0.14 0.00 -0.91 0.00 0.00 33.84 33.40 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 0.05 0.64 0.00 0.00 2.00 -0.34 -3.77 119.66 118.23 1hra s GLN 12 Ca 0.16 0.29 0.00 0.00 -2.00 0.00 0.00 55.36 53.81 1hra s GLN 12 Cb -0.25 0.20 0.00 0.00 0.80 0.00 0.00 33.01 33.76 1hra s GLN 12 CO -0.01 -1.08 0.00 -0.40 -0.50 0.00 0.00 175.29 173.29 1hra n ASP 13 N 5.10 0.00 -3.16 6.67 5.68 -1.06 -4.66 116.55 125.12 1hra n ASP 13 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1hra n ASP 13 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1hra n ASP 13 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1hra n LYS 14 N 0.00 2.70 -3.75 0.11 4.76 -1.26 -0.02 118.16 120.69 1hra n LYS 14 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1hra n LYS 14 Cb 0.00 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.02 1hra n LYS 14 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1hra s SER 15 N -1.36 0.43 -0.89 4.39 1.04 -1.26 -3.18 113.70 112.88 1hra s SER 15 Ca 0.00 0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 1hra s SER 15 Cb 0.00 -0.11 0.25 0.00 0.10 0.00 0.00 66.02 66.27 1hra s SER 15 CO 0.00 -0.16 0.97 -1.54 0.98 0.00 0.00 173.24 173.49 1hra n SER 16 N 4.53 4.72 0.00 7.02 3.41 -1.25 -4.96 113.62 127.08 1hra n SER 16 Ca -0.20 -3.29 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 1hra n SER 16 Cb 0.50 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 1.65 -0.44 3.25 5.00 0.00 -1.26 -4.42 105.19 108.97 1hra n GLY 17 Ca 0.25 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 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 1.83 0.00 1.61 5.04 -1.26 -5.15 117.35 119.42 1hra s TYR 18 Ca 0.00 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 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 0.09 0.00 0.72 -1.34 0.00 0.00 175.55 175.02 1hra n HIS 19 N 1.88 0.00 -1.58 4.97 8.25 -1.26 -4.93 115.22 122.55 1hra n HIS 19 Ca -0.17 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.99 1hra n HIS 19 Cb 0.53 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 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 1.11 0.00 4.41 -0.85 -1.26 -4.51 117.35 116.25 1hra s TYR 20 Ca 0.00 1.65 0.00 0.00 -0.52 0.00 0.00 57.07 58.20 1hra s TYR 20 Cb 0.00 -3.56 0.00 0.00 0.38 0.00 0.00 41.96 38.78 1hra s TYR 20 CO 0.00 -2.27 0.00 0.41 -1.52 0.00 0.00 175.55 172.17 1hra n GLY 21 N 6.21 2.41 0.00 5.49 0.00 -1.26 -3.73 105.19 114.30 1hra n GLY 21 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.24 0.00 -3.97 1.61 3.14 -1.26 -4.99 118.33 112.62 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 -0.33 -0.14 0.00 -1.06 0.00 0.00 33.84 32.30 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 0.15 4.13 0.11 6.55 0.15 -1.26 -4.86 113.70 118.66 1hra s SER 23 Ca 0.00 -0.70 0.10 0.00 0.70 0.00 0.00 55.95 56.05 1hra s SER 23 Cb 0.00 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 1hra s SER 23 CO 0.00 -0.08 -0.25 0.00 1.20 0.00 0.00 173.24 174.11 1hra s ALA 24 N 1.36 2.18 -1.15 5.45 0.00 -0.99 -0.27 121.76 128.34 1hra s ALA 24 Ca 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1hra s ALA 24 Cb -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1hra s ALA 24 CO -0.05 0.49 0.60 0.00 0.00 0.00 0.00 175.76 176.79 1hra n GLU 26 N -0.07 0.00 -0.34 0.00 1.02 -1.26 -3.85 120.64 116.15 1hra n GLU 26 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1hra n GLU 26 Cb 0.22 -0.22 0.23 0.00 -0.02 0.00 0.00 31.44 31.65 1hra n GLU 26 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1hra h GLY 27 N 0.00 1.46 1.26 0.62 0.00 -1.96 -1.34 103.07 103.11 1hra h GLY 27 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 47.33 46.70 1hra h GLY 27 CO 0.00 0.27 -0.67 0.00 0.00 0.00 0.00 176.54 176.13 1hra h LYS 29 N 0.54 0.01 0.07 0.00 3.11 -1.81 0.17 116.57 118.66 1hra h LYS 29 Ca -0.02 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1hra h LYS 29 Cb 1.28 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.46 1hra h LYS 29 CO 0.14 0.00 -0.35 0.78 -2.81 0.00 0.00 179.45 177.21 1hra h GLY 30 N 0.01 -0.66 0.22 5.01 0.00 -0.88 -1.32 103.07 105.44 1hra h GLY 30 Ca 0.18 0.42 0.20 0.00 0.00 0.00 0.00 47.33 48.14 1hra h GLY 30 CO -0.38 -0.25 0.61 -2.75 0.00 0.00 0.00 176.54 173.77 1hra h PHE 31 N -0.55 0.69 0.09 5.60 3.04 -0.56 0.10 116.94 125.35 1hra h PHE 31 Ca 0.04 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1hra h PHE 31 Cb 0.61 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1hra h PHE 31 CO -0.34 0.17 -0.04 0.35 -2.02 0.00 0.00 178.31 176.43 1hra h PHE 32 N 0.51 -0.11 -0.11 0.41 3.57 0.46 0.76 116.94 122.42 1hra h PHE 32 Ca 0.51 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.02 1hra h PHE 32 Cb 1.13 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1hra h PHE 32 CO -0.00 0.37 0.04 -0.09 -2.23 0.00 0.00 178.31 176.40 1hra h ARG 33 N -0.66 0.09 -0.15 1.11 2.43 -1.24 0.10 114.38 116.07 1hra h ARG 33 Ca -0.01 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1hra h ARG 33 Cb 0.53 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1hra h ARG 33 CO 0.02 0.06 -0.12 -0.09 -1.51 0.00 0.00 179.97 178.33 1hra h ARG 34 N 0.10 -0.13 0.20 0.20 2.43 -0.44 0.26 114.38 117.00 1hra h ARG 34 Ca 0.05 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1hra h ARG 34 Cb 0.02 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1hra h ARG 34 CO -0.05 -0.09 -0.10 0.77 -1.51 0.00 0.00 179.97 179.00 1hra h SER 35 N -0.14 -0.23 0.01 -3.80 0.02 -0.84 -1.50 113.55 107.06 1hra h SER 35 Ca 0.10 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1hra h SER 35 Cb 0.28 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1hra h SER 35 CO -0.23 -0.14 -0.00 0.40 -1.14 0.00 0.00 176.83 175.72 1hra h ILE 36 N -0.32 1.22 -0.60 3.27 2.04 -0.40 0.29 117.51 123.00 1hra h ILE 36 Ca -0.03 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 1hra h ILE 36 Cb 0.21 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1hra h ILE 36 CO 0.05 0.17 0.06 -0.61 0.00 0.00 0.00 178.15 177.81 1hra h GLN 37 N -0.29 1.02 0.00 2.37 4.15 -0.55 -3.40 115.11 118.41 1hra h GLN 37 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1hra h GLN 37 Cb 0.29 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1hra h GLN 37 CO 0.00 0.98 -0.70 0.36 -1.93 0.00 0.00 178.83 177.54 1hra n LYS 38 N -4.26 0.00 -2.21 1.69 2.85 -1.17 -4.51 118.16 110.56 1hra n LYS 38 Ca 0.03 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.13 1hra n LYS 38 Cb 0.31 -0.64 0.03 0.00 -0.65 0.00 0.00 35.03 34.08 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 -2.47 3.79 -4.24 -5.58 0.23 0.73 -5.01 115.26 102.70 1hra n ASN 39 Ca 0.00 -3.22 -0.38 0.00 -0.53 0.00 0.00 54.58 50.45 1hra n ASN 39 Cb 0.35 -0.39 -0.12 0.00 -2.08 0.00 0.00 39.78 37.55 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 -3.60 2.52 -0.10 -3.83 0.23 0.49 -4.70 119.30 110.31 1hra s MET 40 Ca 0.43 -1.37 -0.01 0.00 -1.03 0.00 0.00 55.69 53.71 1hra s MET 40 Cb 0.38 -3.57 0.03 0.00 -1.53 0.00 0.00 34.83 30.14 1hra s MET 40 CO 0.01 -0.82 -0.03 -1.50 -2.03 0.00 0.00 175.02 170.65 1hra s ILE 41 N 1.36 0.69 -0.29 3.16 2.07 -1.26 -4.99 121.20 121.94 1hra s ILE 41 Ca 0.01 -0.11 -0.15 0.00 -1.41 0.00 0.00 60.65 58.99 1hra s ILE 41 Cb -0.21 -0.80 0.13 0.00 0.13 0.00 0.00 42.46 41.71 1hra s ILE 41 CO 0.01 0.28 0.86 -0.72 -1.91 0.00 0.00 174.94 173.46 1hra s TYR 42 N 1.84 -0.85 -0.41 3.50 -0.85 -1.26 -5.02 117.35 114.30 1hra s TYR 42 Ca 0.05 1.59 0.07 0.00 -0.52 0.00 0.00 57.07 58.25 1hra s TYR 42 Cb -0.13 0.51 0.18 0.00 0.38 0.00 0.00 41.96 42.90 1hra s TYR 42 CO -0.07 -0.42 0.60 0.99 -1.52 0.00 0.00 175.55 175.13 1hra s THR 43 N 2.02 -0.89 -0.24 -3.49 2.01 -1.26 -4.88 115.64 108.91 1hra s THR 43 Ca -0.07 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 61.75 1hra s THR 43 Cb -0.06 -0.11 -0.19 0.00 0.01 0.00 0.00 72.50 72.15 1hra s THR 43 CO -0.17 -0.10 -0.13 0.00 -0.69 0.00 0.00 174.62 173.53 1hra s HIS 45 N -2.50 3.02 0.00 0.00 2.46 -1.26 -1.43 115.29 115.58 1hra s HIS 45 Ca -0.26 -3.11 0.00 0.00 0.47 0.00 0.00 55.06 52.16 1hra s HIS 45 Cb 0.08 -2.34 0.00 0.00 -0.13 0.00 0.00 32.58 30.19 1hra s HIS 45 CO 0.67 -0.62 0.00 0.54 -2.47 0.00 0.00 174.74 172.86 1hra n ARG 46 N 2.24 0.00 -4.26 2.88 1.74 -1.26 -4.94 116.66 113.06 1hra n ARG 46 Ca 0.21 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.14 1hra n ARG 46 Cb 0.37 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.71 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 0.34 0.73 -0.11 0.55 1.47 -1.26 -5.06 116.67 113.33 1hra s ASP 47 Ca 0.00 -1.38 0.08 0.00 1.18 0.00 0.00 52.55 52.43 1hra s ASP 47 Cb 0.00 0.26 0.43 0.00 -0.34 0.00 0.00 42.92 43.27 1hra s ASP 47 CO 0.00 -0.78 1.19 2.29 0.68 0.00 0.00 175.17 178.55 1hra n LYS 48 N -0.37 2.94 -1.63 2.11 2.85 -1.26 -2.95 118.16 119.85 1hra n LYS 48 Ca 0.01 -1.66 -0.09 0.00 -1.05 0.00 0.00 58.31 55.52 1hra n LYS 48 Cb 0.66 -1.83 0.08 0.00 -0.65 0.00 0.00 35.03 33.29 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 0.38 3.11 -4.28 -5.58 6.94 -1.26 -4.85 115.26 109.72 1hra n ASN 49 Ca 0.15 -3.41 -0.44 0.00 -0.02 0.00 0.00 54.58 50.85 1hra n ASN 49 Cb 0.70 -0.41 -0.05 0.00 -2.36 0.00 0.00 39.78 37.66 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 4.36 0.20 -1.56 0.00 0.31 -0.03 -4.42 118.33 117.18 1hra n VAL 51 Ca 0.03 -0.60 -0.16 0.00 -0.01 0.00 0.00 64.34 63.60 1hra n VAL 51 Cb 0.43 1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 34.33 1hra n VAL 51 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1hra s ILE 52 N -0.73 3.00 0.00 2.52 -1.09 -1.26 -3.76 121.20 119.88 1hra s ILE 52 Ca 0.11 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1hra s ILE 52 Cb 0.07 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1hra s ILE 52 CO 0.10 -0.00 0.00 -0.46 -1.23 0.00 0.00 174.94 173.35 1hra n ASN 53 N 18.43 0.00 -0.01 3.58 0.23 -1.26 -4.15 115.26 132.09 1hra n ASN 53 Ca 0.46 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.51 1hra n ASN 53 Cb 0.45 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.11 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 1.28 -3.40 -3.83 0.00 -1.26 -4.68 118.16 106.27 1hra n LYS 54 Ca 0.00 -0.03 -0.37 0.00 -0.00 0.00 0.00 58.31 57.91 1hra n LYS 54 Cb 0.00 -1.12 -0.04 0.00 -0.00 0.00 0.00 35.03 33.87 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 -1.85 3.62 -3.09 0.58 0.31 -1.26 -4.90 118.33 111.73 1hra n VAL 55 Ca -0.03 -5.38 0.00 0.00 -0.01 0.00 0.00 64.34 58.92 1hra n VAL 55 Cb 0.32 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 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 1.77 0.00 0.00 2.52 5.66 -1.26 -4.93 114.28 118.03 1hra n THR 56 Ca 0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 1hra n THR 56 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 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 0.00 0.00 -3.64 1.09 1.85 -1.26 -4.89 116.66 109.81 1hra n ARG 57 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 1hra n ARG 57 Cb 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.45 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 0.10 -4.97 -4.34 2.89 4.13 -1.26 -5.05 115.26 106.77 1hra n ASN 58 Ca 0.00 -0.96 -0.27 0.00 1.68 0.00 0.00 54.58 55.03 1hra n ASN 58 Cb 0.00 -3.67 -0.13 0.00 -1.54 0.00 0.00 39.78 34.44 1hra n ASN 58 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1hra s ARG 59 N -5.79 1.38 0.00 3.52 6.06 -1.26 -0.85 118.95 122.01 1hra s ARG 59 Ca 0.42 -1.22 -0.00 0.00 -2.50 0.00 0.00 55.73 52.43 1hra s ARG 59 Cb -0.13 -1.72 0.00 0.00 0.06 0.00 0.00 34.95 33.15 1hra s ARG 59 CO 0.84 0.42 0.00 0.00 -2.50 0.00 0.00 175.30 174.06 1hra n GLN 61 N -0.00 0.00 -0.21 0.00 3.00 -1.26 -4.32 117.38 114.59 1hra n GLN 61 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1hra n GLN 61 Cb 0.00 -0.15 0.12 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 0.37 -0.99 1.08 5.03 -1.58 0.20 116.97 121.07 1hra h TYR 62 Ca 0.00 0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.51 1hra h TYR 62 Cb 0.00 -0.07 -0.17 0.00 1.55 0.00 0.00 36.73 38.04 1hra h TYR 62 CO 0.00 0.06 -0.35 0.00 -1.32 0.00 0.00 178.16 176.55 1hra n ARG 64 N -5.51 1.95 -0.15 0.00 5.12 -0.07 -0.94 116.66 117.05 1hra n ARG 64 Ca 0.12 -0.36 -0.04 0.00 -1.93 0.00 0.00 57.85 55.63 1hra n ARG 64 Cb 0.43 -1.22 0.05 0.00 -1.16 0.00 0.00 32.46 30.55 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 0.78 0.25 0.20 0.55 -0.00 0.39 -1.54 115.31 115.94 1hra h LEU 65 Ca 0.00 0.04 -0.33 0.00 -0.00 0.00 0.00 57.88 57.59 1hra h LEU 65 Cb 0.43 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.11 1hra h LEU 65 CO 0.00 0.18 -1.56 1.56 -0.00 0.00 0.00 178.44 178.62 1hra h GLN 66 N 0.40 0.43 -0.40 1.13 1.08 -0.64 0.68 115.11 117.79 1hra h GLN 66 Ca 0.21 -0.73 -0.14 0.00 -1.45 0.00 0.00 58.65 56.54 1hra h GLN 66 Cb 0.17 0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1hra h GLN 66 CO -0.19 1.34 -0.28 -0.22 -0.95 0.00 0.00 178.83 178.53 1hra h LYS 67 N 0.12 0.90 -0.60 1.46 3.64 -1.14 -1.24 116.57 119.70 1hra h LYS 67 Ca -0.27 -0.43 -0.05 0.00 -1.27 0.00 0.00 60.65 58.62 1hra h LYS 67 Cb 2.11 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.90 1hra h LYS 67 CO 0.22 1.08 0.16 0.00 -2.27 0.00 0.00 179.45 178.64 1hra h PHE 69 N 0.89 0.00 -0.08 0.00 0.04 0.47 -0.83 116.94 117.43 1hra h PHE 69 Ca 0.20 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.99 1hra h PHE 69 Cb 0.30 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 1hra h PHE 69 CO 0.02 0.00 0.35 0.93 -0.60 0.00 0.00 178.31 179.01 1hra h GLU 70 N 0.00 0.00 -1.32 1.51 5.08 -0.71 0.48 114.58 119.62 1hra h GLU 70 Ca 0.13 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.90 1hra h GLU 70 Cb 0.65 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.49 1hra h GLU 70 CO -0.00 0.00 -0.68 0.28 -1.00 0.00 0.00 179.01 177.61 1hra n VAL 71 N -3.07 2.47 0.00 3.13 0.31 -0.32 -5.03 118.33 115.81 1hra n VAL 71 Ca -0.00 -4.70 0.00 0.00 -0.01 0.00 0.00 64.34 59.63 1hra n VAL 71 Cb 0.43 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 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 -0.55 0.00 3.82 2.92 0.00 0.16 -4.61 105.19 106.93 1hra n GLY 72 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 3.89 -0.82 1.61 -1.94 -1.26 -4.83 119.30 115.95 1hra s MET 73 Ca 0.00 1.16 0.02 0.00 -1.71 0.00 0.00 55.69 55.15 1hra s MET 73 Cb 0.00 -2.12 0.33 0.00 2.01 0.00 0.00 34.83 35.05 1hra s MET 73 CO 0.00 -0.33 1.46 0.43 -0.01 0.00 0.00 175.02 176.57 1hra n SER 74 N -1.20 6.13 -4.31 3.03 7.64 -1.24 -3.69 113.62 119.98 1hra n SER 74 Ca 0.08 -3.70 -0.46 0.00 1.01 0.00 0.00 58.87 55.80 1hra n SER 74 Cb 0.53 -0.89 -0.04 0.00 -1.01 0.00 0.00 64.21 62.80 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 -3.95 3.15 0.00 1.43 -0.14 -1.26 -4.93 119.74 114.03 1hra s LYS 75 Ca 0.44 -1.97 0.00 0.00 -1.36 0.00 0.00 55.97 53.08 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 -0.15 -1.31 0.00 -1.91 -0.76 0.00 0.00 175.35 171.22 1hra n GLU 76 N 4.79 0.00 -3.54 1.68 4.07 -1.24 -4.72 120.64 121.67 1hra n GLU 76 Ca -0.04 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.68 1hra n GLU 76 Cb 0.42 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.75 1hra n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1hra n SER 77 N 0.00 4.58 -4.42 4.31 3.41 -1.26 -5.04 113.62 115.20 1hra n SER 77 Ca 0.00 -3.13 -0.34 0.00 -0.26 0.00 0.00 58.87 55.13 1hra n SER 77 Cb 0.00 -1.12 -0.13 0.00 -0.26 0.00 0.00 64.21 62.70 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 -1.45 3.71 -0.37 -3.33 0.11 -1.26 -0.74 120.40 117.07 1hra s VAL 78 Ca 0.29 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1hra s VAL 78 Cb -0.07 -2.66 0.10 0.00 -1.53 0.00 0.00 36.38 32.22 1hra s VAL 78 CO -0.11 0.45 0.12 -0.60 -3.33 0.00 0.00 175.10 171.63 1hra s ARG 79 N 0.92 1.81 0.00 1.54 3.52 -1.26 -3.56 118.95 121.92 1hra s ARG 79 Ca 0.00 -1.80 0.00 0.00 -0.13 0.00 0.00 55.73 53.80 1hra s ARG 79 Cb -0.14 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1hra s ARG 79 CO 0.01 -0.97 0.33 0.27 -0.81 0.00 0.00 175.30 174.13