#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 4.08 -0.13 2.12 0.04 -1.26 -4.82 135.00 135.03 1hra s PRO 2 Ca 0.00 0.65 -0.03 0.00 0.04 0.00 0.00 61.00 61.67 1hra s PRO 2 Cb 0.00 -2.81 0.04 0.00 0.04 0.00 0.00 34.50 31.78 1hra s PRO 2 CO 0.00 0.38 0.04 1.03 0.04 0.00 0.00 177.00 178.49 1hra s ARG 3 N -2.19 0.42 -0.13 4.56 0.52 -1.26 -1.56 118.95 119.31 1hra s ARG 3 Ca 0.43 -0.06 -0.15 0.00 -0.52 0.00 0.00 55.73 55.43 1hra s ARG 3 Cb -0.15 -1.45 -0.25 0.00 0.52 0.00 0.00 34.95 33.63 1hra s ARG 3 CO 0.20 -0.49 0.44 0.28 0.02 0.00 0.00 175.30 175.75 1hra h VAL 4 N 6.42 0.92 0.00 3.52 2.07 -1.98 -3.50 116.25 123.69 1hra h VAL 4 Ca -0.17 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1hra h VAL 4 Cb 1.13 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1hra h VAL 4 CO 0.28 0.67 0.00 -1.22 0.02 0.00 0.00 177.57 177.31 1hra n TYR 5 N -3.94 0.00 0.00 1.57 4.01 -1.26 -5.00 117.16 112.54 1hra n TYR 5 Ca -0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 1hra n TYR 5 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 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 0.00 -0.72 0.00 -1.26 -4.12 118.16 112.06 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 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 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 -0.84 0.42 0.00 -1.58 -0.04 -1.26 -2.14 135.00 129.56 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 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.86 1.19 0.00 0.00 7.35 0.91 -3.89 117.46 121.16 1hra n PHE 9 Ca 0.00 -0.41 0.00 0.00 -0.76 0.00 0.00 57.45 56.28 1hra n PHE 9 Cb 0.32 -0.34 0.00 0.00 0.35 0.00 0.00 39.48 39.82 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 0.36 0.00 -3.91 -2.13 0.31 -1.12 -4.40 118.33 107.45 1hra n VAL 10 Ca 0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.19 1hra n VAL 10 Cb 0.79 -0.41 -0.14 0.00 -0.91 0.00 0.00 33.84 33.17 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 -0.23 0.60 0.00 0.00 2.00 -0.91 -4.01 119.66 117.12 1hra s GLN 12 Ca 0.17 1.37 0.00 0.00 -2.00 0.00 0.00 55.36 54.90 1hra s GLN 12 Cb -0.25 0.63 0.00 0.00 0.80 0.00 0.00 33.01 34.19 1hra s GLN 12 CO -0.01 -0.19 0.00 -0.25 -0.50 0.00 0.00 175.29 174.35 1hra n ASP 13 N 5.11 -1.83 -1.96 6.67 8.00 -1.12 -4.43 116.55 126.98 1hra n ASP 13 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1hra n ASP 13 Cb 0.52 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.08 -5.40 -3.85 -1.24 5.02 -1.26 -4.08 118.16 107.26 1hra n LYS 14 Ca 0.00 3.89 -0.36 0.00 -2.02 0.00 0.00 58.31 59.82 1hra n LYS 14 Cb 0.00 -4.28 -0.07 0.00 -0.02 0.00 0.00 35.03 30.66 1hra n LYS 14 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1hra s SER 15 N -1.88 6.23 0.00 4.39 1.04 -1.26 -3.98 113.70 118.24 1hra s SER 15 Ca 0.00 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1hra s SER 15 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1hra s SER 15 CO 0.00 0.30 0.00 -0.24 0.98 0.00 0.00 173.24 174.28 1hra n SER 16 N 2.68 0.00 -4.24 7.02 2.88 -1.26 -5.04 113.62 115.66 1hra n SER 16 Ca -0.18 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.03 1hra n SER 16 Cb 0.54 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 1hra n SER 16 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1hra s GLY 17 N 0.00 1.47 -0.31 0.46 0.00 -1.24 -4.83 107.32 102.87 1hra s GLY 17 Ca 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.61 1hra s GLY 17 CO 0.00 0.10 0.19 -2.52 0.00 0.00 0.00 173.10 170.87 1hra s TYR 18 N 0.96 0.25 0.00 1.90 1.13 -1.26 -4.11 117.35 116.22 1hra s TYR 18 Ca -0.03 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 1hra s TYR 18 Cb -0.15 -0.81 0.00 0.00 -1.10 0.00 0.00 41.96 39.91 1hra s TYR 18 CO -0.03 -0.85 0.00 0.72 -2.51 0.00 0.00 175.55 172.88 1hra n HIS 19 N 4.95 0.00 -4.29 -3.49 8.25 -1.26 -4.68 115.22 114.70 1hra n HIS 19 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1hra n HIS 19 Cb 0.42 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.43 1hra n HIS 19 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1hra s TYR 20 N 0.00 1.43 -1.50 4.41 2.02 -1.26 -5.00 117.35 117.44 1hra s TYR 20 Ca 0.00 -0.73 -0.09 0.00 -0.37 0.00 0.00 57.07 55.88 1hra s TYR 20 Cb 0.00 -0.72 -0.05 0.00 -0.40 0.00 0.00 41.96 40.78 1hra s TYR 20 CO 0.00 0.14 2.88 0.41 -1.57 0.00 0.00 175.55 177.41 1hra n GLY 21 N -0.28 4.40 0.00 0.71 0.00 -1.26 -4.63 105.19 104.13 1hra n GLY 21 Ca -0.09 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 3.16 0.00 -4.36 1.61 3.14 -1.26 -4.71 118.33 115.91 1hra n VAL 22 Ca 0.74 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.84 1hra n VAL 22 Cb 0.26 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 32.87 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 2.38 0.06 6.55 0.15 -1.26 -5.03 113.70 117.55 1hra s SER 23 Ca 0.00 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.33 1hra s SER 23 Cb 0.00 -1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 63.23 1hra s SER 23 CO 0.00 -0.01 -0.26 0.00 1.20 0.00 0.00 173.24 174.18 1hra s ALA 24 N 1.09 2.32 -0.64 5.45 0.00 -0.84 -0.06 121.76 129.08 1hra s ALA 24 Ca -0.05 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1hra s ALA 24 Cb -0.14 -0.48 0.10 0.00 0.00 0.00 0.00 23.12 22.59 1hra s ALA 24 CO -0.03 0.54 0.80 0.00 0.00 0.00 0.00 175.76 177.07 1hra n GLU 26 N 0.15 0.00 0.06 0.00 0.28 -1.26 -3.82 120.64 116.06 1hra n GLU 26 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.10 1hra n GLU 26 Cb 0.46 0.00 0.48 0.00 1.43 0.00 0.00 31.44 33.81 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 0.43 1.51 -1.84 0.00 -1.92 -2.46 103.07 98.79 1hra h GLY 27 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1hra h GLY 27 CO 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 176.54 176.27 1hra h LYS 29 N 0.44 0.69 0.15 0.00 3.11 -1.79 0.19 116.57 119.36 1hra h LYS 29 Ca 0.03 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1hra h LYS 29 Cb 0.93 -0.16 -0.04 0.00 -1.00 0.00 0.00 32.23 31.96 1hra h LYS 29 CO 0.08 0.46 -0.42 0.78 -2.81 0.00 0.00 179.45 177.54 1hra h GLY 30 N 0.71 -0.86 0.05 5.01 0.00 -1.12 -1.29 103.07 105.58 1hra h GLY 30 Ca 0.31 0.50 0.22 0.00 0.00 0.00 0.00 47.33 48.35 1hra h GLY 30 CO -0.18 -0.27 0.62 -2.75 0.00 0.00 0.00 176.54 173.96 1hra h PHE 31 N -0.67 0.88 0.08 5.60 3.57 -0.55 0.81 116.94 126.66 1hra h PHE 31 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1hra h PHE 31 Cb 0.68 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1hra h PHE 31 CO -0.35 0.15 -0.04 0.35 -2.23 0.00 0.00 178.31 176.20 1hra h PHE 32 N 0.59 -0.10 -0.73 0.41 3.57 0.12 -1.15 116.94 119.65 1hra h PHE 32 Ca 0.58 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 62.03 1hra h PHE 32 Cb 1.14 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1hra h PHE 32 CO -0.00 0.43 0.29 0.07 -2.23 0.00 0.00 178.31 176.87 1hra h ARG 33 N -0.74 1.08 -0.79 1.11 0.11 -1.14 0.71 114.38 114.71 1hra h ARG 33 Ca -0.01 -0.19 0.09 0.00 0.10 0.00 0.00 59.98 59.97 1hra h ARG 33 Cb 0.58 -0.18 -0.07 0.00 1.11 0.00 0.00 29.97 31.41 1hra h ARG 33 CO 0.02 0.88 0.44 -0.09 0.10 0.00 0.00 179.97 181.32 1hra h ARG 34 N 1.06 0.73 0.00 0.08 1.12 -0.14 0.11 114.38 117.33 1hra h ARG 34 Ca 0.24 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.07 1hra h ARG 34 Cb 0.20 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1hra h ARG 34 CO -0.02 0.48 0.00 0.43 -3.11 0.00 0.00 179.97 177.75 1hra n SER 35 N -4.77 0.00 -0.01 -3.80 7.64 -0.50 -3.20 113.62 108.98 1hra n SER 35 Ca 0.13 0.62 -0.11 0.00 1.01 0.00 0.00 58.87 60.52 1hra n SER 35 Cb 0.27 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 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 1.00 -0.59 0.44 2.04 -0.60 0.30 117.51 120.10 1hra h ILE 36 Ca 0.00 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1hra h ILE 36 Cb 0.00 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1hra h ILE 36 CO 0.00 0.02 0.24 -0.61 0.00 0.00 0.00 178.15 177.80 1hra h GLN 37 N 0.14 0.85 0.00 2.37 4.15 -0.77 -3.40 115.11 118.45 1hra h GLN 37 Ca 0.05 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1hra h GLN 37 Cb 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1hra h GLN 37 CO -0.03 0.70 0.00 0.36 -1.93 0.00 0.00 178.83 177.92 1hra n LYS 38 N -4.33 0.00 -2.80 1.69 2.85 -1.04 -3.92 118.16 110.61 1hra n LYS 38 Ca 0.05 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.08 1hra n LYS 38 Cb 0.16 -0.31 -0.01 0.00 -0.65 0.00 0.00 35.03 34.22 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 -3.43 3.43 -4.20 -5.58 0.23 0.96 -4.95 115.26 101.72 1hra n ASN 39 Ca 0.00 -3.42 -0.40 0.00 -0.53 0.00 0.00 54.58 50.23 1hra n ASN 39 Cb 0.00 -0.53 -0.04 0.00 -2.08 0.00 0.00 39.78 37.12 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 -3.26 3.55 -0.67 -3.83 0.23 -0.61 -4.62 119.30 110.10 1hra s MET 40 Ca 0.44 -3.15 0.03 0.00 -1.03 0.00 0.00 55.69 51.97 1hra s MET 40 Cb 0.36 -4.17 0.16 0.00 -1.53 0.00 0.00 34.83 29.66 1hra s MET 40 CO -0.12 -1.25 0.46 0.42 -2.03 0.00 0.00 175.02 172.50 1hra s ILE 41 N -1.13 3.13 -0.07 3.16 1.01 -1.26 -4.99 121.20 121.05 1hra s ILE 41 Ca 0.27 -3.77 -0.13 0.00 0.00 0.00 0.00 60.65 57.02 1hra s ILE 41 Cb -0.09 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1hra s ILE 41 CO -0.10 -0.94 0.32 -0.72 0.00 0.00 0.00 174.94 173.50 1hra s TYR 42 N -0.93 -0.27 -0.22 3.97 -0.85 -1.26 -5.11 117.35 112.68 1hra s TYR 42 Ca 0.22 0.57 -0.07 0.00 -0.52 0.00 0.00 57.07 57.27 1hra s TYR 42 Cb -0.13 0.11 0.11 0.00 0.38 0.00 0.00 41.96 42.42 1hra s TYR 42 CO -0.09 -0.28 0.46 0.99 -1.52 0.00 0.00 175.55 175.10 1hra s THR 43 N -0.60 -0.72 -0.27 -3.49 2.01 -1.26 -5.04 115.64 106.27 1hra s THR 43 Ca -0.07 0.11 -0.35 0.00 0.31 0.00 0.00 61.69 61.69 1hra s THR 43 Cb -0.04 -0.75 -0.12 0.00 0.01 0.00 0.00 72.50 71.60 1hra s THR 43 CO 0.02 0.04 2.05 0.00 -0.69 0.00 0.00 174.62 176.04 1hra n HIS 45 N 8.47 -1.83 0.00 0.00 -0.00 -1.26 -4.12 115.22 116.48 1hra n HIS 45 Ca 0.34 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.62 1hra n HIS 45 Cb 0.24 -2.83 0.00 0.00 -0.00 0.00 0.00 29.99 27.40 1hra n HIS 45 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1hra n ARG 46 N -3.52 0.00 -4.28 1.57 1.74 -1.26 -4.73 116.66 106.18 1hra n ARG 46 Ca -0.23 0.12 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 1hra n ARG 46 Cb 0.64 -0.49 -0.10 0.00 -1.02 0.00 0.00 32.46 31.49 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 -2.34 1.88 -0.04 0.55 1.47 -1.26 -5.06 116.67 111.86 1hra s ASP 47 Ca 0.00 -1.07 0.05 0.00 1.18 0.00 0.00 52.55 52.72 1hra s ASP 47 Cb 0.00 -0.02 0.22 0.00 -0.34 0.00 0.00 42.92 42.79 1hra s ASP 47 CO 0.00 -0.36 1.01 2.29 0.68 0.00 0.00 175.17 178.78 1hra n LYS 48 N -0.27 1.87 -0.03 2.11 2.85 -1.26 -1.42 118.16 122.00 1hra n LYS 48 Ca -0.09 -0.88 0.02 0.00 -1.05 0.00 0.00 58.31 56.31 1hra n LYS 48 Cb 0.61 -1.48 0.03 0.00 -0.65 0.00 0.00 35.03 33.55 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 0.17 1.93 -4.66 -5.58 6.94 -1.26 -4.78 115.26 108.02 1hra n ASN 49 Ca 0.08 -1.71 -0.53 0.00 -0.02 0.00 0.00 54.58 52.40 1hra n ASN 49 Cb 0.38 -0.04 -0.06 0.00 -2.36 0.00 0.00 39.78 37.69 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 2.35 5.11 -0.45 0.00 1.01 -1.26 -4.58 120.40 122.58 1hra s VAL 51 Ca 0.91 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.95 1hra s VAL 51 Cb -0.94 -3.91 0.19 0.00 0.00 0.00 0.00 36.38 31.72 1hra s VAL 51 CO 0.55 -0.21 0.42 2.30 0.00 0.00 0.00 175.10 178.16 1hra n ILE 52 N 5.33 -0.62 0.00 2.22 -0.00 -1.26 -1.35 119.36 123.68 1hra n ILE 52 Ca -0.08 -3.80 0.00 0.00 -0.00 0.00 0.00 62.75 58.87 1hra n ILE 52 Cb 0.49 -1.80 0.00 0.00 -0.00 0.00 0.00 39.64 38.33 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 2.33 0.00 -0.03 7.28 2.04 -1.25 -3.66 115.26 121.97 1hra n ASN 53 Ca 0.27 0.00 0.03 0.00 -0.44 0.00 0.00 54.58 54.44 1hra n ASN 53 Cb 0.47 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.70 1hra n ASN 53 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 1hra n LYS 54 N 0.00 4.50 -3.32 -3.83 2.85 -0.60 -4.59 118.16 113.16 1hra n LYS 54 Ca 0.00 -0.11 -0.37 0.00 -1.05 0.00 0.00 58.31 56.78 1hra n LYS 54 Cb 0.00 -0.81 -0.04 0.00 -0.65 0.00 0.00 35.03 33.54 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 -0.94 3.84 -4.57 0.58 0.31 -1.26 -4.93 118.33 111.36 1hra n VAL 55 Ca 0.01 -5.47 -0.27 0.00 -0.01 0.00 0.00 64.34 58.61 1hra n VAL 55 Cb 0.10 -2.21 -0.09 0.00 -0.91 0.00 0.00 33.84 30.73 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 -2.19 0.98 0.12 2.52 -1.32 -1.26 -4.88 115.64 109.61 1hra s THR 56 Ca 0.32 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1hra s THR 56 Cb 0.03 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 1hra s THR 56 CO -0.01 0.00 0.00 -2.11 -2.21 0.00 0.00 174.62 170.29 1hra n ARG 57 N -0.94 -1.47 0.05 7.08 -4.01 -0.46 -5.03 116.66 111.87 1hra n ARG 57 Ca -0.08 1.07 0.00 0.00 -1.04 0.00 0.00 57.85 57.80 1hra n ARG 57 Cb 0.66 -1.18 0.00 0.00 -3.04 0.00 0.00 32.46 28.90 1hra n ARG 57 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1hra n ASN 58 N -0.39 0.17 -4.19 2.89 2.85 -1.22 -4.85 115.26 110.53 1hra n ASN 58 Ca 0.00 0.16 -0.16 0.00 -0.11 0.00 0.00 54.58 54.47 1hra n ASN 58 Cb 0.00 0.04 -0.11 0.00 1.24 0.00 0.00 39.78 40.95 1hra n ASN 58 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1hra s ARG 59 N -2.00 0.88 0.18 1.20 1.70 -1.26 -5.00 118.95 114.64 1hra s ARG 59 Ca 0.00 -1.13 -0.02 0.00 -0.47 0.00 0.00 55.73 54.11 1hra s ARG 59 Cb 0.00 -0.67 -0.04 0.00 -0.57 0.00 0.00 34.95 33.67 1hra s ARG 59 CO 0.00 0.12 0.14 0.00 -1.08 0.00 0.00 175.30 174.48 1hra n GLN 61 N -0.21 0.00 -0.26 0.00 -0.00 -1.26 -4.04 117.38 111.61 1hra n GLN 61 Ca -0.02 0.02 0.06 0.00 -0.00 0.00 0.00 57.00 57.06 1hra n GLN 61 Cb 0.65 -0.58 0.19 0.00 -0.00 0.00 0.00 30.24 30.50 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 0.47 -0.50 2.61 5.03 -1.97 0.18 116.97 122.79 1hra h TYR 62 Ca 0.00 0.04 0.10 0.00 2.58 0.00 0.00 58.73 61.45 1hra h TYR 62 Cb 0.00 -0.09 -0.10 0.00 1.55 0.00 0.00 36.73 38.09 1hra h TYR 62 CO 0.00 0.02 -0.13 0.00 -1.32 0.00 0.00 178.16 176.73 1hra n ARG 64 N -5.37 0.90 0.01 0.00 5.12 -0.63 -0.72 116.66 115.98 1hra n ARG 64 Ca 0.05 -1.31 -0.11 0.00 -1.93 0.00 0.00 57.85 54.54 1hra n ARG 64 Cb 0.27 -1.24 -0.06 0.00 -1.16 0.00 0.00 32.46 30.28 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 2.33 0.07 0.16 0.55 -0.00 0.15 -2.66 115.31 115.91 1hra h LEU 65 Ca 0.00 -0.01 -0.30 0.00 -0.00 0.00 0.00 57.88 57.58 1hra h LEU 65 Cb 0.53 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.18 1hra h LEU 65 CO 0.00 0.06 -1.36 1.56 -0.00 0.00 0.00 178.44 178.69 1hra h GLN 66 N 0.08 0.35 -0.16 1.13 1.08 -0.43 0.64 115.11 117.80 1hra h GLN 66 Ca 0.02 -0.59 -0.17 0.00 -1.45 0.00 0.00 58.65 56.46 1hra h GLN 66 Cb -0.01 0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1hra h GLN 66 CO -0.00 1.27 -0.61 0.87 -0.95 0.00 0.00 178.83 179.40 1hra h LYS 67 N 0.09 0.56 -0.74 1.46 1.57 -1.08 -1.11 116.57 117.33 1hra h LYS 67 Ca -0.19 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 1hra h LYS 67 Cb 2.04 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 34.37 1hra h LYS 67 CO 0.22 1.00 0.22 0.00 -0.57 0.00 0.00 179.45 180.32 1hra h PHE 69 N 1.10 0.00 -0.63 0.00 0.04 0.32 -1.37 116.94 116.40 1hra h PHE 69 Ca 0.24 0.00 0.18 0.00 2.80 0.00 0.00 57.97 61.19 1hra h PHE 69 Cb 0.32 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 1hra h PHE 69 CO 0.03 0.00 0.62 0.93 -0.60 0.00 0.00 178.31 179.29 1hra h GLU 70 N 0.00 0.00 -2.25 1.51 5.08 -0.88 -0.04 114.58 118.00 1hra h GLU 70 Ca 0.26 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.03 1hra h GLU 70 Cb 1.07 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.91 1hra h GLU 70 CO -0.00 0.00 -0.58 0.28 -1.00 0.00 0.00 179.01 177.70 1hra n VAL 71 N -3.73 3.16 -0.12 3.13 0.31 -0.52 -5.02 118.33 115.54 1hra n VAL 71 Ca 0.13 -5.57 0.00 0.00 -0.01 0.00 0.00 64.34 58.89 1hra n VAL 71 Cb 0.85 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 -0.26 0.00 3.77 2.92 0.00 -0.03 -4.61 105.19 106.98 1hra n GLY 72 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 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 0.56 4.05 -0.77 1.61 -1.94 -1.26 -4.61 119.30 116.94 1hra s MET 73 Ca 0.00 1.92 0.03 0.00 -1.71 0.00 0.00 55.69 55.93 1hra s MET 73 Cb 0.00 -2.71 0.28 0.00 2.01 0.00 0.00 34.83 34.40 1hra s MET 73 CO 0.00 -0.35 1.02 -1.13 -0.01 0.00 0.00 175.02 174.56 1hra n SER 74 N 0.13 4.75 -4.40 3.03 3.41 -1.26 -4.45 113.62 114.83 1hra n SER 74 Ca 0.04 -3.48 -0.44 0.00 -0.26 0.00 0.00 58.87 54.73 1hra n SER 74 Cb 0.46 -0.85 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 1hra n SER 74 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1hra s LYS 75 N -2.77 3.06 0.00 4.33 -0.14 -1.26 -4.97 119.74 118.00 1hra s LYS 75 Ca 0.38 -1.20 0.00 0.00 -1.36 0.00 0.00 55.97 53.79 1hra s LYS 75 Cb 0.14 -4.19 0.00 0.00 -1.68 0.00 0.00 37.83 32.09 1hra s LYS 75 CO 0.00 -1.35 0.00 -1.91 -0.76 0.00 0.00 175.35 171.34 1hra n GLU 76 N 6.05 0.00 -3.63 1.68 2.13 -1.26 -4.80 120.64 120.81 1hra n GLU 76 Ca -0.09 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.36 1hra n GLU 76 Cb 0.43 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.08 1hra n GLU 76 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1hra s SER 77 N -0.26 6.04 -0.10 4.31 0.15 -1.26 -5.04 113.70 117.54 1hra s SER 77 Ca 0.00 -3.70 -0.00 0.00 0.70 0.00 0.00 55.95 52.95 1hra s SER 77 Cb 0.00 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 1hra s SER 77 CO 0.00 -0.19 -0.08 0.54 1.20 0.00 0.00 173.24 174.71 1hra s VAL 78 N -1.31 3.56 -0.86 4.45 0.11 -1.26 -2.18 120.40 122.90 1hra s VAL 78 Ca 0.27 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1hra s VAL 78 Cb -0.08 -2.49 0.26 0.00 -1.53 0.00 0.00 36.38 32.54 1hra s VAL 78 CO -0.12 0.55 0.98 0.54 -3.33 0.00 0.00 175.10 173.72 1hra n ARG 79 N 2.86 3.14 0.00 1.54 1.74 -1.25 -3.28 116.66 121.42 1hra n ARG 79 Ca -0.18 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.33 1hra n ARG 79 Cb 0.53 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 1hra n ARG 79 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38