#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 2.08 -2.33 3.17 -0.02 -1.26 -4.91 135.00 131.74 1hra n PRO 2 Ca 0.00 -1.54 -0.42 0.00 -2.02 0.00 0.00 63.50 59.52 1hra n PRO 2 Cb 0.00 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 30.93 1hra n PRO 2 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1hra s ARG 3 N 3.55 3.32 0.00 -0.52 0.52 -1.26 -4.73 118.95 119.83 1hra s ARG 3 Ca 0.43 0.64 0.00 0.00 -0.52 0.00 0.00 55.73 56.28 1hra s ARG 3 Cb 0.11 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.46 1hra s ARG 3 CO -0.02 -1.90 0.00 1.55 0.02 0.00 0.00 175.30 174.95 1hra n VAL 4 N 6.97 0.00 -4.85 3.52 3.14 -1.26 -5.06 118.33 120.80 1hra n VAL 4 Ca 0.15 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.22 1hra n VAL 4 Cb 0.49 -0.36 -0.14 0.00 -1.06 0.00 0.00 33.84 32.76 1hra n VAL 4 CO 0.00 0.00 0.00 -0.72 -6.46 0.00 0.00 176.83 169.65 1hra s TYR 5 N 0.07 2.40 0.51 1.45 1.13 -1.26 -5.08 117.35 116.57 1hra s TYR 5 Ca 0.00 -0.36 -0.03 0.00 -1.41 0.00 0.00 57.07 55.27 1hra s TYR 5 Cb 0.00 -1.42 0.04 0.00 -1.10 0.00 0.00 41.96 39.48 1hra s TYR 5 CO 0.00 0.16 0.09 0.36 -2.51 0.00 0.00 175.55 173.65 1hra n LYS 6 N 1.74 1.16 -2.88 -3.49 0.00 -1.23 0.41 118.16 113.87 1hra n LYS 6 Ca -0.17 -0.16 -0.43 0.00 -0.00 0.00 0.00 58.31 57.56 1hra n LYS 6 Cb 0.52 -0.90 -0.04 0.00 -0.00 0.00 0.00 35.03 34.61 1hra n LYS 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1hra s PRO 7 N -2.01 3.21 0.00 -1.58 0.04 -0.46 0.29 135.00 134.49 1hra s PRO 7 Ca 0.07 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1hra s PRO 7 Cb -0.01 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1hra s PRO 7 CO 0.06 -1.60 0.00 0.00 0.04 0.00 0.00 177.00 175.50 1hra n PHE 9 N -2.37 0.46 0.00 0.00 7.35 -0.39 -4.02 117.46 118.50 1hra n PHE 9 Ca 0.00 -0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 1hra n PHE 9 Cb 0.00 -0.17 0.00 0.00 0.35 0.00 0.00 39.48 39.66 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 0.13 0.00 -2.27 -2.13 0.31 -1.26 -3.53 118.33 109.58 1hra n VAL 10 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1hra n VAL 10 Cb 0.43 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.35 -0.06 0.00 0.00 2.00 -1.26 -3.67 119.66 117.02 1hra s GLN 12 Ca 0.00 0.31 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 1hra s GLN 12 Cb 0.00 -0.43 0.00 0.00 0.80 0.00 0.00 33.01 33.38 1hra s GLN 12 CO 0.00 -0.27 0.00 -0.25 -0.50 0.00 0.00 175.29 174.27 1hra n ASP 13 N 4.92 -1.06 0.00 6.67 8.00 0.17 -4.47 116.55 130.77 1hra n ASP 13 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1hra n ASP 13 Cb 0.50 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1hra n ASP 13 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hra n LYS 14 N 0.36 0.00 -4.12 -1.24 4.76 0.15 -4.28 118.16 113.78 1hra n LYS 14 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1hra n LYS 14 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 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 -4.00 0.69 -0.81 4.39 1.04 -1.26 -1.36 113.70 112.39 1hra s SER 15 Ca 0.00 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.35 1hra s SER 15 Cb 0.00 -0.24 0.31 0.00 0.10 0.00 0.00 66.02 66.20 1hra s SER 15 CO 0.00 -0.01 1.28 -1.20 0.98 0.00 0.00 173.24 174.29 1hra n SER 16 N 3.58 5.61 0.00 7.02 7.64 -1.16 -4.96 113.62 131.35 1hra n SER 16 Ca -0.20 -3.61 0.00 0.00 1.01 0.00 0.00 58.87 56.06 1hra n SER 16 Cb 0.54 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1hra n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hra n GLY 17 N 0.22 -0.71 3.32 0.23 0.00 -1.26 -4.41 105.19 102.58 1hra n GLY 17 Ca 0.35 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.35 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 1.97 0.00 1.61 5.04 -1.26 -5.15 117.35 119.55 1hra s TYR 18 Ca 0.00 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1hra s TYR 18 Cb 0.00 -1.07 0.00 0.00 0.35 0.00 0.00 41.96 41.24 1hra s TYR 18 CO 0.00 0.26 0.00 0.72 -1.34 0.00 0.00 175.55 175.19 1hra n HIS 19 N 1.00 -0.02 -1.55 4.97 8.25 -1.26 -4.94 115.22 121.68 1hra n HIS 19 Ca -0.19 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.01 1hra n HIS 19 Cb 0.53 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.58 1hra n HIS 19 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1hra n TYR 20 N -0.02 1.21 0.00 4.41 0.18 -1.26 -4.32 117.16 117.36 1hra n TYR 20 Ca 0.00 0.07 0.00 0.00 1.88 0.00 0.00 57.90 59.85 1hra n TYR 20 Cb 0.00 -2.52 0.00 0.00 -0.38 0.00 0.00 39.34 36.44 1hra n TYR 20 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1hra n GLY 21 N 6.33 2.96 0.00 -7.48 0.00 -1.26 -3.67 105.19 102.07 1hra n GLY 21 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.59 0.00 -4.03 1.61 3.14 -1.26 -4.88 118.33 111.31 1hra n VAL 22 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1hra n VAL 22 Cb 0.00 -0.31 -0.15 0.00 -1.06 0.00 0.00 33.84 32.32 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 -0.95 4.26 0.45 6.55 0.15 -1.26 -4.76 113.70 118.14 1hra s SER 23 Ca 0.00 -1.14 0.05 0.00 0.70 0.00 0.00 55.95 55.56 1hra s SER 23 Cb 0.00 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 1hra s SER 23 CO 0.00 -0.15 0.01 0.00 1.20 0.00 0.00 173.24 174.29 1hra s ALA 24 N 1.20 3.51 -2.15 5.45 0.00 -1.26 -1.26 121.76 127.26 1hra s ALA 24 Ca -0.04 -1.58 0.17 0.00 0.00 0.00 0.00 51.96 50.51 1hra s ALA 24 Cb -0.18 0.13 0.66 0.00 0.00 0.00 0.00 23.12 23.73 1hra s ALA 24 CO -0.06 -0.09 1.47 0.00 0.00 0.00 0.00 175.76 177.09 1hra n GLU 26 N 0.11 0.00 -0.29 0.00 -0.58 -1.26 -4.19 120.64 114.43 1hra n GLU 26 Ca 0.14 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.95 1hra n GLU 26 Cb 0.25 0.00 0.23 0.00 -0.57 0.00 0.00 31.44 31.35 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 1.37 1.01 0.62 0.00 -1.95 -2.24 103.07 101.87 1hra h GLY 27 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1hra h GLY 27 CO 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 176.54 176.55 1hra h LYS 29 N 0.80 0.26 0.32 0.00 3.11 -1.78 0.33 116.57 119.60 1hra h LYS 29 Ca 0.17 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1hra h LYS 29 Cb 0.40 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 1hra h LYS 29 CO 0.01 0.17 -0.35 0.78 -2.81 0.00 0.00 179.45 177.25 1hra h GLY 30 N 0.26 -0.80 0.13 5.01 0.00 -0.85 -2.36 103.07 104.45 1hra h GLY 30 Ca 0.23 0.40 0.24 0.00 0.00 0.00 0.00 47.33 48.20 1hra h GLY 30 CO -0.27 -0.29 0.64 -2.75 0.00 0.00 0.00 176.54 173.87 1hra h PHE 31 N -0.71 0.45 0.17 5.60 3.04 -0.16 0.74 116.94 126.07 1hra h PHE 31 Ca -0.02 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1hra h PHE 31 Cb 0.65 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1hra h PHE 31 CO -0.21 0.09 -0.08 0.35 -2.02 0.00 0.00 178.31 176.43 1hra h PHE 32 N 0.31 -0.21 -0.13 0.41 3.57 0.18 0.56 116.94 121.63 1hra h PHE 32 Ca 0.50 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.91 1hra h PHE 32 Cb 1.42 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 1hra h PHE 32 CO -0.00 0.22 -0.31 0.07 -2.23 0.00 0.00 178.31 176.06 1hra h ARG 33 N -0.78 0.25 -0.32 1.11 0.11 -1.36 0.71 114.38 114.10 1hra h ARG 33 Ca -0.02 -0.10 0.02 0.00 0.10 0.00 0.00 59.98 59.98 1hra h ARG 33 Cb 0.52 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.56 1hra h ARG 33 CO 0.04 0.55 0.17 -0.09 0.10 0.00 0.00 179.97 180.73 1hra h ARG 34 N 0.22 0.34 0.07 0.08 2.43 -0.29 0.11 114.38 117.34 1hra h ARG 34 Ca 0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1hra h ARG 34 Cb 0.67 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1hra h ARG 34 CO 0.05 0.22 -0.03 0.77 -1.51 0.00 0.00 179.97 179.47 1hra h SER 35 N 0.35 -0.08 -0.01 -3.80 0.02 -0.88 -2.27 113.55 106.88 1hra h SER 35 Ca 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1hra h SER 35 Cb 0.04 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1hra h SER 35 CO -0.09 -0.02 0.01 0.40 -1.14 0.00 0.00 176.83 175.99 1hra h ILE 36 N -0.18 1.03 -0.48 3.27 2.04 -0.81 0.23 117.51 122.60 1hra h ILE 36 Ca -0.01 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 1hra h ILE 36 Cb 0.07 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1hra h ILE 36 CO 0.02 0.02 -0.22 -0.61 0.00 0.00 0.00 178.15 177.36 1hra h GLN 37 N -0.02 1.00 0.00 2.37 4.15 -0.87 -3.41 115.11 118.33 1hra h GLN 37 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1hra h GLN 37 Cb 0.03 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1hra h GLN 37 CO -0.00 1.11 -0.78 0.36 -1.93 0.00 0.00 178.83 177.58 1hra n LYS 38 N -4.11 0.00 -2.36 1.69 2.85 -1.13 -4.42 118.16 110.68 1hra n LYS 38 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1hra n LYS 38 Cb 0.46 -0.55 0.03 0.00 -0.65 0.00 0.00 35.03 34.32 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 -2.70 3.62 -4.27 -5.58 0.23 0.56 -5.00 115.26 102.13 1hra n ASN 39 Ca 0.00 -3.12 -0.35 0.00 -0.53 0.00 0.00 54.58 50.58 1hra n ASN 39 Cb 0.39 -0.40 -0.14 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 -3.65 3.11 -0.05 -3.83 0.23 0.11 -4.70 119.30 110.52 1hra s MET 40 Ca 0.42 -0.80 0.02 0.00 -1.03 0.00 0.00 55.69 54.29 1hra s MET 40 Cb 0.38 -3.05 0.01 0.00 -1.53 0.00 0.00 34.83 30.64 1hra s MET 40 CO -0.00 -0.32 -0.10 -1.50 -2.03 0.00 0.00 175.02 171.07 1hra s ILE 41 N 1.42 0.93 0.02 3.16 1.10 -1.26 -4.97 121.20 121.59 1hra s ILE 41 Ca 0.03 -0.38 -0.11 0.00 -0.51 0.00 0.00 60.65 59.68 1hra s ILE 41 Cb -0.16 -0.86 0.01 0.00 0.15 0.00 0.00 42.46 41.61 1hra s ILE 41 CO -0.03 0.30 0.24 -0.72 -2.11 0.00 0.00 174.94 172.62 1hra s TYR 42 N 0.60 -0.05 0.17 3.50 -0.85 -1.26 -5.15 117.35 114.31 1hra s TYR 42 Ca -0.11 -0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.42 1hra s TYR 42 Cb -0.14 0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.24 1hra s TYR 42 CO 0.02 -0.40 0.13 -2.37 -1.52 0.00 0.00 175.55 171.41 1hra n THR 43 N 1.01 0.00 -2.76 -3.49 5.66 -1.26 -5.03 114.28 108.41 1hra n THR 43 Ca -0.21 -0.65 -0.43 0.00 -3.05 0.00 0.00 64.05 59.71 1hra n THR 43 Cb 0.57 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 1hra n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hra n HIS 45 N 6.93 1.85 0.00 0.00 1.44 -1.26 -2.59 115.22 121.59 1hra n HIS 45 Ca 0.43 -2.44 0.00 0.00 -2.01 0.00 0.00 57.72 53.69 1hra n HIS 45 Cb 0.44 -1.85 0.00 0.00 0.12 0.00 0.00 29.99 28.71 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 2.11 0.00 -4.22 -1.40 5.12 -1.26 -4.73 116.66 112.28 1hra n ARG 46 Ca 0.60 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 56.36 1hra n ARG 46 Cb 0.44 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.65 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 0.39 0.95 0.00 0.55 1.47 -1.07 -5.06 116.67 113.90 1hra s ASP 47 Ca 0.00 -1.56 0.13 0.00 1.18 0.00 0.00 52.55 52.30 1hra s ASP 47 Cb 0.00 0.50 0.41 0.00 -0.34 0.00 0.00 42.92 43.49 1hra s ASP 47 CO 0.00 -1.01 1.32 2.29 0.68 0.00 0.00 175.17 178.46 1hra n LYS 48 N -0.47 1.78 -2.03 2.11 -0.00 -1.26 -2.64 118.16 115.65 1hra n LYS 48 Ca 0.04 -1.21 -0.25 0.00 -0.00 0.00 0.00 58.31 56.90 1hra n LYS 48 Cb 0.64 -1.30 0.02 0.00 -0.00 0.00 0.00 35.03 34.39 1hra n LYS 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1hra n ASN 49 N 0.47 5.02 -4.70 -5.58 6.94 -1.26 -5.03 115.26 111.11 1hra n ASN 49 Ca 0.13 -3.75 -0.42 0.00 -0.02 0.00 0.00 54.58 50.52 1hra n ASN 49 Cb 0.30 -0.37 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 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 1.47 4.00 -0.28 0.00 1.01 -1.26 -4.97 120.40 120.37 1hra s VAL 51 Ca 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 1hra s VAL 51 Cb -0.19 -2.82 0.09 0.00 0.00 0.00 0.00 36.38 33.46 1hra s VAL 51 CO 0.21 0.41 0.10 0.27 0.00 0.00 0.00 175.10 176.09 1hra s ILE 52 N 1.13 0.53 0.00 2.22 -0.00 -1.26 -3.70 121.20 120.12 1hra s ILE 52 Ca 0.03 -1.06 0.00 0.00 -0.00 0.00 0.00 60.65 59.62 1hra s ILE 52 Cb -0.14 -1.35 0.00 0.00 -0.00 0.00 0.00 42.46 40.97 1hra s ILE 52 CO 0.02 -0.61 0.00 -0.46 -0.00 0.00 0.00 174.94 173.89 1hra n ASN 53 N 5.00 0.00 -2.56 4.36 6.94 -1.26 -3.76 115.26 123.98 1hra n ASN 53 Ca -0.04 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.37 1hra n ASN 53 Cb 0.43 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.87 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 2.22 0.00 -3.83 -0.00 -1.26 -4.44 118.16 110.85 1hra n LYS 54 Ca 0.00 -3.79 0.03 0.00 -0.00 0.00 0.00 58.31 54.55 1hra n LYS 54 Cb 0.00 -1.73 -0.01 0.00 -0.00 0.00 0.00 35.03 33.29 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 -0.35 0.00 -0.98 0.58 0.31 -1.26 -5.12 118.33 111.51 1hra n VAL 55 Ca 0.22 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1hra n VAL 55 Cb 0.78 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.76 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 -0.58 0.00 -3.77 2.52 -2.24 -1.26 -5.17 114.28 103.78 1hra n THR 56 Ca 0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.78 1hra n THR 56 Cb 0.10 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1hra n THR 56 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1hra n ARG 57 N 0.00 0.49 -3.79 -0.78 0.63 -1.24 -5.06 116.66 106.90 1hra n ARG 57 Ca 0.00 -1.11 -0.23 0.00 -0.92 0.00 0.00 57.85 55.59 1hra n ARG 57 Cb 0.00 1.50 0.01 0.00 0.45 0.00 0.00 32.46 34.42 1hra n ARG 57 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1hra n ASN 58 N -1.12 -0.99 -3.57 6.15 3.02 -1.25 -4.63 115.26 112.86 1hra n ASN 58 Ca -0.02 -0.88 -0.33 0.00 -0.03 0.00 0.00 54.58 53.33 1hra n ASN 58 Cb 0.43 -3.72 -0.04 0.00 -0.61 0.00 0.00 39.78 35.83 1hra n ASN 58 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1hra n ARG 59 N -4.33 3.36 -2.81 3.52 0.63 -1.26 -4.55 116.66 111.22 1hra n ARG 59 Ca -0.29 -4.66 -0.19 0.00 -0.92 0.00 0.00 57.85 51.79 1hra n ARG 59 Cb 0.68 -2.35 0.02 0.00 0.45 0.00 0.00 32.46 31.26 1hra n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hra n GLN 61 N -2.12 0.00 -0.31 0.00 6.02 -1.26 -3.92 117.38 115.80 1hra n GLN 61 Ca 0.08 0.18 0.13 0.00 -0.01 0.00 0.00 57.00 57.38 1hra n GLN 61 Cb 0.59 -0.93 0.36 0.00 1.02 0.00 0.00 30.24 31.28 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 0.91 0.60 1.08 5.03 -1.97 0.13 116.97 122.76 1hra h TYR 62 Ca 0.00 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1hra h TYR 62 Cb 0.00 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 37.99 1hra h TYR 62 CO 0.04 0.29 -0.41 0.00 -1.32 0.00 0.00 178.16 176.76 1hra h ARG 64 N -0.97 0.67 -0.09 0.00 2.47 -1.39 0.38 114.38 115.45 1hra h ARG 64 Ca -0.07 -0.34 0.04 0.00 -1.26 0.00 0.00 59.98 58.35 1hra h ARG 64 Cb 0.80 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.08 1hra h ARG 64 CO 0.05 0.94 -0.17 -0.07 0.56 0.00 0.00 179.97 181.28 1hra h LEU 65 N 0.55 -0.52 0.07 3.04 -0.00 -0.48 0.18 115.31 118.15 1hra h LEU 65 Ca 0.05 0.09 -0.28 0.00 -0.00 0.00 0.00 57.88 57.74 1hra h LEU 65 Cb 0.91 0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.79 1hra h LEU 65 CO 0.08 -0.22 -1.41 1.56 -0.00 0.00 0.00 178.44 178.44 1hra h GLN 66 N -0.23 0.15 0.05 1.13 7.50 -0.06 0.59 115.11 124.23 1hra h GLN 66 Ca 0.08 -0.25 -0.23 0.00 0.50 0.00 0.00 58.65 58.75 1hra h GLN 66 Cb 0.35 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.97 1hra h GLN 66 CO -0.23 0.99 -1.03 0.87 -1.50 0.00 0.00 178.83 177.92 1hra h LYS 67 N 0.04 0.26 -0.36 1.46 1.57 -0.23 -1.52 116.57 117.78 1hra h LYS 67 Ca -0.19 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.12 1hra h LYS 67 Cb 1.95 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.36 1hra h LYS 67 CO 0.14 1.09 -0.28 0.00 -0.57 0.00 0.00 179.45 179.83 1hra h PHE 69 N 0.65 0.00 -0.33 0.00 0.04 0.23 -0.71 116.94 116.82 1hra h PHE 69 Ca 0.08 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.94 1hra h PHE 69 Cb 0.81 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1hra h PHE 69 CO 0.04 0.00 0.38 0.93 -0.60 0.00 0.00 178.31 179.06 1hra h GLU 70 N 0.00 0.00 -1.56 1.51 5.08 -0.92 -0.46 114.58 118.22 1hra h GLU 70 Ca 0.21 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.94 1hra h GLU 70 Cb 0.99 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.85 1hra h GLU 70 CO -0.00 0.00 -0.33 0.28 -1.00 0.00 0.00 179.01 177.95 1hra n VAL 71 N -3.68 2.66 0.00 3.13 0.31 -0.27 -5.00 118.33 115.47 1hra n VAL 71 Ca 0.05 -4.72 0.00 0.00 -0.01 0.00 0.00 64.34 59.66 1hra n VAL 71 Cb 0.54 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.52 0.00 3.77 2.92 0.00 -0.18 -4.36 105.19 106.82 1hra n GLY 72 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 4.06 -0.88 1.61 -1.94 -1.26 -4.82 119.30 116.07 1hra s MET 73 Ca 0.00 1.85 0.01 0.00 -1.71 0.00 0.00 55.69 55.84 1hra s MET 73 Cb 0.00 -2.69 0.31 0.00 2.01 0.00 0.00 34.83 34.46 1hra s MET 73 CO 0.00 -0.32 1.34 0.43 -0.01 0.00 0.00 175.02 176.47 1hra n SER 74 N 0.10 5.83 -4.34 3.03 7.64 -1.24 -4.06 113.62 120.58 1hra n SER 74 Ca 0.04 -3.57 -0.45 0.00 1.01 0.00 0.00 58.87 55.90 1hra n SER 74 Cb 0.46 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.64 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 -3.37 3.01 0.00 1.43 -0.14 -1.26 -4.94 119.74 114.47 1hra s LYS 75 Ca 0.39 -1.55 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 1hra s LYS 75 Cb 0.16 -4.28 0.00 0.00 -1.68 0.00 0.00 37.83 32.03 1hra s LYS 75 CO -0.04 -1.40 0.00 -1.91 -0.76 0.00 0.00 175.35 171.24 1hra n GLU 76 N 5.67 0.00 -3.57 1.68 4.07 -1.26 -4.74 120.64 122.49 1hra n GLU 76 Ca -0.12 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.62 1hra n GLU 76 Cb 0.41 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.73 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 4.37 -4.34 4.31 3.41 -1.26 -5.04 113.62 115.07 1hra n SER 77 Ca 0.00 -3.18 -0.36 0.00 -0.26 0.00 0.00 58.87 55.08 1hra n SER 77 Cb 0.00 -1.05 -0.14 0.00 -0.26 0.00 0.00 64.21 62.77 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 -1.57 3.62 -0.76 -3.33 0.11 -1.26 -0.80 120.40 116.41 1hra s VAL 78 Ca 0.29 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 1hra s VAL 78 Cb -0.05 -2.69 0.34 0.00 -1.53 0.00 0.00 36.38 32.45 1hra s VAL 78 CO -0.10 0.36 1.34 0.54 -3.33 0.00 0.00 175.10 173.91 1hra n ARG 79 N 4.83 4.08 0.00 1.54 1.74 -1.26 -3.00 116.66 124.59 1hra n ARG 79 Ca -0.17 -4.72 0.00 0.00 -0.77 0.00 0.00 57.85 52.19 1hra n ARG 79 Cb 0.50 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1hra n ARG 79 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38