#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghk s ILE 2 N 0.00 1.84 0.21 0.00 1.09 -1.10 -4.93 121.20 118.31 1ghk s ILE 2 Ca 0.00 -2.68 -0.32 0.00 -1.10 0.00 0.00 60.65 56.56 1ghk s ILE 2 Cb 0.00 -2.30 -0.12 0.00 -1.06 0.00 0.00 42.46 38.99 1ghk s ILE 2 CO 0.00 -0.81 1.68 -0.62 -0.10 0.00 0.00 174.94 175.09 1ghk s ASP 3 N 0.32 6.41 -0.40 3.58 2.15 -1.26 -1.67 116.67 125.79 1ghk s ASP 3 Ca 0.16 2.85 -0.15 0.00 0.43 0.00 0.00 52.55 55.84 1ghk s ASP 3 Cb -0.24 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.79 1ghk s ASP 3 CO -0.03 -0.94 0.29 -0.63 -0.17 0.00 0.00 175.17 173.68 1ghk s ILE 4 N 1.00 5.22 0.37 4.11 1.09 -0.53 -4.90 121.20 127.55 1ghk s ILE 4 Ca 0.72 -0.62 0.09 0.00 -1.10 0.00 0.00 60.65 59.73 1ghk s ILE 4 Cb -0.49 -3.88 -0.07 0.00 -1.06 0.00 0.00 42.46 36.96 1ghk s ILE 4 CO 0.34 -0.27 -0.06 -1.59 -0.10 0.00 0.00 174.94 173.26 1ghk s LYS 5 N 1.68 1.86 0.61 2.79 -2.85 -1.26 -1.93 119.74 120.63 1ghk s LYS 5 Ca 0.05 -2.00 -0.07 0.00 -1.00 0.00 0.00 55.97 52.95 1ghk s LYS 5 Cb -0.19 -1.66 0.01 0.00 -2.06 0.00 0.00 37.83 33.92 1ghk s LYS 5 CO 0.10 0.07 0.94 0.00 0.10 0.00 0.00 175.35 176.55 1ghk s ALA 6 N -2.66 3.22 0.52 0.59 0.00 -0.30 -4.90 121.76 118.24 1ghk s ALA 6 Ca 0.33 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 1ghk s ALA 6 Cb 0.05 -2.69 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 1ghk s ALA 6 CO 0.17 -0.85 1.00 -1.25 0.00 0.00 0.00 175.76 174.84 1ghk s PRO 7 N -5.06 3.81 -0.41 0.00 0.04 -1.26 -3.29 135.00 128.83 1ghk s PRO 7 Ca 0.54 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1ghk s PRO 7 Cb -0.11 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1ghk s PRO 7 CO 0.47 -0.40 1.37 0.99 0.04 0.00 0.00 177.00 179.46 1ghk s THR 8 N -2.46 3.96 0.62 1.26 2.01 -1.26 -3.52 115.64 116.25 1ghk s THR 8 Ca 0.61 0.99 -0.17 0.00 0.31 0.00 0.00 61.69 63.44 1ghk s THR 8 Cb -0.12 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 1ghk s THR 8 CO 0.29 -0.77 1.11 -0.36 -0.69 0.00 0.00 174.62 174.21 1ghk s PHE 9 N 5.21 2.65 0.98 4.92 0.08 -1.26 -5.01 117.98 125.55 1ghk s PHE 9 Ca 0.59 1.55 -0.16 0.00 0.12 0.00 0.00 56.93 59.03 1ghk s PHE 9 Cb -0.13 -3.20 0.20 0.00 -0.57 0.00 0.00 43.02 39.32 1ghk s PHE 9 CO 0.32 -1.63 1.27 -1.25 -0.10 0.00 0.00 175.22 173.82 1ghk s PRO 10 N -3.82 0.50 0.10 0.24 0.04 -1.26 -4.95 135.00 125.85 1ghk s PRO 10 Ca 0.69 -0.27 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 1ghk s PRO 10 Cb -0.21 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1ghk s PRO 10 CO 0.36 -2.53 1.58 1.05 0.04 0.00 0.00 177.00 177.50 1ghk h GLU 11 N -1.73 0.51 -1.00 4.56 4.11 -2.03 -2.76 114.58 116.25 1ghk h GLU 11 Ca -0.45 -0.14 0.36 0.00 0.07 0.00 0.00 59.36 59.21 1ghk h GLU 11 Cb 1.26 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.29 1ghk h GLU 11 CO 0.41 0.61 0.55 1.03 0.07 0.00 0.00 179.01 181.68 1ghk h SER 12 N 0.34 0.42 -2.86 3.06 0.87 -2.04 -3.38 113.55 109.95 1ghk h SER 12 Ca 0.09 0.22 -0.60 0.00 -1.23 0.00 0.00 61.79 60.28 1ghk h SER 12 Cb 0.35 0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 62.42 1ghk h SER 12 CO 0.01 -0.27 -0.62 -0.63 -0.53 0.00 0.00 176.83 174.79 1ghk s ILE 13 N -5.61 4.13 -0.27 2.23 -1.09 -1.04 -5.01 121.20 114.53 1ghk s ILE 13 Ca -0.10 -1.20 0.02 0.00 -2.23 0.00 0.00 60.65 57.15 1ghk s ILE 13 Cb 0.32 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 1ghk s ILE 13 CO 0.78 -0.07 0.58 0.00 -1.23 0.00 0.00 174.94 175.00 1ghk n ALA 14 N -0.12 2.49 0.00 9.38 0.00 -1.26 -4.46 120.51 126.54 1ghk n ALA 14 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1ghk n ALA 14 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1ghk n ALA 14 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ghk n ASP 15 N 0.12 0.00 -0.06 0.00 5.68 -1.26 -4.73 116.55 116.30 1ghk n ASP 15 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1ghk n ASP 15 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1ghk n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ghk n GLY 16 N -0.02 3.94 3.20 6.12 0.00 -0.79 -4.65 105.19 113.00 1ghk n GLY 16 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1ghk n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ghk s THR 17 N -2.12 -0.08 0.99 2.61 2.01 -0.76 -1.61 115.64 116.68 1ghk s THR 17 Ca 0.00 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 1ghk s THR 17 Cb 0.00 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.88 1ghk s THR 17 CO 0.00 0.05 -0.45 0.52 -0.69 0.00 0.00 174.62 174.05 1ghk n VAL 18 N 4.36 0.00 0.00 3.82 0.31 -0.71 -1.40 118.33 124.72 1ghk n VAL 18 Ca -0.22 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1ghk n VAL 18 Cb 0.54 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1ghk n VAL 18 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ghk n ALA 19 N -3.02 0.83 -3.64 3.52 0.00 -0.25 -4.37 120.51 113.58 1ghk n ALA 19 Ca 0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1ghk n ALA 19 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 1ghk n ALA 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ghk s THR 20 N -0.49 0.00 -1.04 0.00 2.01 -1.25 -4.70 115.64 110.17 1ghk s THR 20 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1ghk s THR 20 Cb 0.00 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.66 1ghk s THR 20 CO 0.00 0.00 1.25 0.26 -0.69 0.00 0.00 174.62 175.44 1ghk s TRP 21 N 1.46 3.30 0.01 4.92 0.52 -1.26 -2.99 118.94 124.89 1ghk s TRP 21 Ca -0.09 -1.72 -0.03 0.00 0.02 0.00 0.00 56.10 54.28 1ghk s TRP 21 Cb -0.05 -4.28 -0.01 0.00 -1.15 0.00 0.00 33.47 27.98 1ghk s TRP 21 CO -0.17 -1.44 1.05 0.45 0.02 0.00 0.00 176.95 176.87 1ghk h HIS 22 N 8.11 -0.18 -5.55 -1.98 3.86 -1.96 -3.42 115.15 114.03 1ghk h HIS 22 Ca 0.22 0.01 -0.36 0.00 -1.16 0.00 0.00 60.37 59.09 1ghk h HIS 22 Cb 0.96 0.09 0.04 0.00 1.06 0.00 0.00 27.41 29.56 1ghk h HIS 22 CO 1.13 -0.04 0.00 1.63 0.86 0.00 0.00 177.93 181.52 1ghk n LYS 23 N -3.13 0.45 -4.55 2.45 4.76 -1.26 -5.13 118.16 111.75 1ghk n LYS 23 Ca -0.00 -2.21 -0.26 0.00 -2.87 0.00 0.00 58.31 52.97 1ghk n LYS 23 Cb 0.03 -0.31 -0.11 0.00 -1.84 0.00 0.00 35.03 32.80 1ghk n LYS 23 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1ghk s LYS 24 N -4.15 1.84 0.19 1.97 1.02 -1.26 -5.01 119.74 114.32 1ghk s LYS 24 Ca 0.47 -2.02 -0.30 0.00 0.02 0.00 0.00 55.97 54.14 1ghk s LYS 24 Cb -0.03 -1.38 -0.08 0.00 -0.52 0.00 0.00 37.83 35.82 1ghk s LYS 24 CO 0.31 -0.07 1.07 -1.25 -0.92 0.00 0.00 175.35 174.48 1ghk s PRO 25 N -3.76 4.63 0.00 -1.68 0.04 -1.26 -3.63 135.00 129.34 1ghk s PRO 25 Ca 0.35 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1ghk s PRO 25 Cb 0.09 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1ghk s PRO 25 CO 0.17 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1ghk n GLY 26 N 1.94 0.99 0.89 0.56 0.00 -1.26 -4.92 105.19 103.39 1ghk n GLY 26 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1ghk n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ghk n GLU 27 N -2.01 1.41 -3.12 1.61 -0.58 -1.24 -4.98 120.64 111.72 1ghk n GLU 27 Ca 0.00 -0.83 -0.39 0.00 -0.42 0.00 0.00 57.16 55.52 1ghk n GLU 27 Cb 0.00 0.13 -0.06 0.00 -0.57 0.00 0.00 31.44 30.94 1ghk n GLU 27 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ghk s ALA 28 N -2.19 3.50 -0.00 0.62 0.00 -1.26 -4.25 121.76 118.18 1ghk s ALA 28 Ca 0.05 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.28 1ghk s ALA 28 Cb -0.00 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1ghk s ALA 28 CO 0.03 0.30 -0.23 0.08 0.00 0.00 0.00 175.76 175.94 1ghk s VAL 29 N -0.92 2.34 -0.07 0.00 1.01 -0.98 -5.00 120.40 116.79 1ghk s VAL 29 Ca 0.33 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1ghk s VAL 29 Cb -0.21 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1ghk s VAL 29 CO 0.22 0.50 -0.07 -0.75 0.00 0.00 0.00 175.10 175.00 1ghk s LYS 30 N -0.90 1.20 0.44 2.72 2.20 -1.26 -3.29 119.74 120.85 1ghk s LYS 30 Ca 0.11 -0.21 -0.21 0.00 -0.36 0.00 0.00 55.97 55.31 1ghk s LYS 30 Cb -0.10 -1.16 -0.14 0.00 -1.51 0.00 0.00 37.83 34.92 1ghk s LYS 30 CO 0.01 -0.10 0.23 -2.13 -0.36 0.00 0.00 175.35 173.00 1ghk n ARG 31 N 4.25 0.21 -1.80 4.03 0.00 -1.26 -1.69 116.66 120.40 1ghk n ARG 31 Ca -0.20 0.08 -0.07 0.00 -0.00 0.00 0.00 57.85 57.66 1ghk n ARG 31 Cb 0.51 -1.22 -0.01 0.00 0.00 0.00 0.00 32.46 31.74 1ghk n ARG 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ghk n ASP 32 N 1.86 -3.07 -3.91 6.15 2.03 -1.25 -4.98 116.55 113.38 1ghk n ASP 32 Ca 0.11 0.06 -0.30 0.00 0.52 0.00 0.00 54.79 55.18 1ghk n ASP 32 Cb 0.42 -1.96 -0.16 0.00 -0.72 0.00 0.00 41.12 38.70 1ghk n ASP 32 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1ghk s GLU 33 N -3.71 1.51 1.01 -0.67 -6.30 -0.68 -5.01 118.70 104.84 1ghk s GLU 33 Ca 0.00 -0.91 -0.20 0.00 -2.50 0.00 0.00 54.97 51.36 1ghk s GLU 33 Cb 0.00 -2.51 -0.11 0.00 0.00 0.00 0.00 34.13 31.50 1ghk s GLU 33 CO 0.00 -0.60 -0.80 -0.11 0.02 0.00 0.00 175.26 173.77 1ghk n LEU 34 N 4.72 -3.89 0.00 2.70 7.94 -1.26 -3.17 117.00 124.04 1ghk n LEU 34 Ca -0.12 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1ghk n LEU 34 Cb 0.45 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.64 1ghk n LEU 34 CO 0.17 -4.28 -0.05 -0.38 -1.11 0.00 0.00 177.39 171.75 1ghk n ILE 35 N -3.18 0.00 -3.74 1.96 5.41 0.46 -4.71 119.36 115.57 1ghk n ILE 35 Ca -0.01 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1ghk n ILE 35 Cb 0.63 -0.47 -0.08 0.00 -0.71 0.00 0.00 39.64 39.01 1ghk n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ghk s VAL 36 N -1.79 0.07 0.12 1.39 0.11 -0.98 -3.73 120.40 115.58 1ghk s VAL 36 Ca 0.00 -0.54 0.08 0.00 -2.93 0.00 0.00 61.98 58.58 1ghk s VAL 36 Cb 0.00 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1ghk s VAL 36 CO 0.00 -0.30 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.54 1ghk s ASP 37 N -1.74 4.25 0.04 3.54 1.01 -1.16 -0.59 116.67 122.02 1ghk s ASP 37 Ca -0.09 -0.46 0.06 0.00 0.71 0.00 0.00 52.55 52.78 1ghk s ASP 37 Cb -0.02 -0.74 -0.03 0.00 1.01 0.00 0.00 42.92 43.13 1ghk s ASP 37 CO 0.00 0.17 -0.16 -0.63 0.21 0.00 0.00 175.17 174.76 1ghk s ILE 38 N -1.27 2.94 0.03 0.77 1.01 -1.04 -1.10 121.20 122.54 1ghk s ILE 38 Ca 0.21 -1.12 0.08 0.00 0.00 0.00 0.00 60.65 59.82 1ghk s ILE 38 Cb -0.11 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1ghk s ILE 38 CO 0.13 0.34 -0.23 -0.70 0.00 0.00 0.00 174.94 174.48 1ghk s GLU 39 N -1.45 1.95 0.19 2.79 -6.30 -0.49 -2.12 118.70 113.26 1ghk s GLU 39 Ca 0.15 -1.03 0.02 0.00 -2.50 0.00 0.00 54.97 51.60 1ghk s GLU 39 Cb -0.11 -2.07 -0.05 0.00 0.00 0.00 0.00 34.13 31.91 1ghk s GLU 39 CO 0.06 0.53 0.02 0.99 0.02 0.00 0.00 175.26 176.88 1ghk s THR 40 N -0.82 0.64 0.43 -1.70 2.01 -0.31 -1.84 115.64 114.06 1ghk s THR 40 Ca 0.12 -1.98 0.28 0.00 0.31 0.00 0.00 61.69 60.43 1ghk s THR 40 Cb -0.10 -2.20 0.47 0.00 0.01 0.00 0.00 72.50 70.68 1ghk s THR 40 CO 0.03 -0.40 1.64 -0.78 -0.69 0.00 0.00 174.62 174.42 1ghk h ASP 41 N 2.65 0.27 0.00 3.53 3.58 -1.98 -3.12 116.42 121.35 1ghk h ASP 41 Ca -0.37 0.13 -0.12 0.00 0.42 0.00 0.00 57.03 57.10 1ghk h ASP 41 Cb 1.21 0.12 -0.13 0.00 1.72 0.00 0.00 39.33 42.25 1ghk h ASP 41 CO 0.62 -0.16 -0.31 0.29 -2.88 0.00 0.00 179.24 176.80 1ghk n LYS 42 N -4.70 0.00 -3.64 0.28 5.02 -1.26 -5.09 118.16 108.76 1ghk n LYS 42 Ca 0.36 -0.97 -0.19 0.00 -2.02 0.00 0.00 58.31 55.49 1ghk n LYS 42 Cb 1.37 0.41 -0.16 0.00 -0.02 0.00 0.00 35.03 36.62 1ghk n LYS 42 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ghk s VAL 43 N 0.00 -0.20 -0.21 -0.18 1.01 -1.18 -5.13 120.40 114.52 1ghk s VAL 43 Ca 0.02 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 1ghk s VAL 43 Cb 0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1ghk s VAL 43 CO -0.01 0.07 0.03 -0.69 0.00 0.00 0.00 175.10 174.50 1ghk s VAL 44 N 2.24 4.20 0.25 2.92 1.01 -1.26 -1.16 120.40 128.59 1ghk s VAL 44 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1ghk s VAL 44 Cb -0.13 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1ghk s VAL 44 CO -0.06 0.42 0.05 0.23 0.00 0.00 0.00 175.10 175.74 1ghk n MET 45 N 4.23 1.33 -4.17 2.72 2.81 -0.90 -4.99 117.12 118.15 1ghk n MET 45 Ca -0.17 -1.73 -0.11 0.00 -1.81 0.00 0.00 57.70 53.88 1ghk n MET 45 Cb 0.52 0.39 -0.10 0.00 -0.71 0.00 0.00 33.22 33.32 1ghk n MET 45 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1ghk s GLU 46 N -2.93 1.16 -0.26 0.03 -1.05 -1.26 -2.49 118.70 111.90 1ghk s GLU 46 Ca 0.04 -1.55 -0.03 0.00 -0.15 0.00 0.00 54.97 53.27 1ghk s GLU 46 Cb -0.00 0.28 0.10 0.00 -0.44 0.00 0.00 34.13 34.06 1ghk s GLU 46 CO 0.03 -0.38 0.17 0.08 0.95 0.00 0.00 175.26 176.10 1ghk s VAL 47 N -4.12 -0.17 0.36 1.83 1.01 0.25 -4.85 120.40 114.70 1ghk s VAL 47 Ca 0.34 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1ghk s VAL 47 Cb 0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1ghk s VAL 47 CO 0.09 -0.54 0.43 -1.48 0.00 0.00 0.00 175.10 173.61 1ghk s LEU 48 N 2.19 3.75 0.51 3.92 2.34 -1.26 -0.40 118.68 129.73 1ghk s LEU 48 Ca 0.08 -0.37 -0.10 0.00 0.06 0.00 0.00 54.13 53.79 1ghk s LEU 48 Cb -0.16 -2.51 -0.05 0.00 -0.56 0.00 0.00 46.19 42.91 1ghk s LEU 48 CO -0.28 -0.49 0.89 0.00 -1.06 0.00 0.00 176.35 175.41 1ghk s ALA 49 N -2.27 3.24 -1.82 1.48 0.00 -1.19 -4.85 121.76 116.35 1ghk s ALA 49 Ca 0.46 -0.18 0.19 0.00 0.00 0.00 0.00 51.96 52.43 1ghk s ALA 49 Cb -0.08 -2.86 0.42 0.00 0.00 0.00 0.00 23.12 20.60 1ghk s ALA 49 CO 0.30 -0.34 1.34 0.39 0.00 0.00 0.00 175.76 177.46 1ghk n GLU 50 N -2.02 2.46 0.00 0.00 -0.58 -1.26 -3.95 120.64 115.30 1ghk n GLU 50 Ca 0.04 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.56 1ghk n GLU 50 Cb 0.54 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ghk n ALA 51 N 1.20 0.00 -0.43 0.62 0.00 -1.26 -4.94 120.51 115.69 1ghk n ALA 51 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.33 1ghk n ALA 51 Cb 0.53 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.25 1ghk n ALA 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ghk n ASP 52 N 0.00 -2.19 0.00 0.00 -0.08 -1.26 -4.21 116.55 108.80 1ghk n ASP 52 Ca 0.00 -0.30 0.00 0.00 -1.51 0.00 0.00 54.79 52.98 1ghk n ASP 52 Cb 0.00 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.24 1ghk n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ghk n GLY 53 N 1.17 0.24 2.81 0.27 0.00 -1.21 -4.07 105.19 104.40 1ghk n GLY 53 Ca 0.03 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1ghk n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ghk s VAL 54 N -2.77 0.56 0.97 1.61 1.01 -1.26 -2.31 120.40 118.22 1ghk s VAL 54 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1ghk s VAL 54 Cb 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.73 1ghk s VAL 54 CO 0.00 0.27 -0.23 -0.38 0.00 0.00 0.00 175.10 174.76 1ghk n ILE 55 N 5.09 0.00 -0.01 2.22 -0.00 -1.26 -1.71 119.36 123.69 1ghk n ILE 55 Ca -0.09 -0.10 -0.03 0.00 -0.00 0.00 0.00 62.75 62.53 1ghk n ILE 55 Cb 0.50 -0.35 -0.01 0.00 -0.00 0.00 0.00 39.64 39.78 1ghk n ILE 55 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ghk n ALA 56 N -4.04 2.12 0.00 -1.39 0.00 1.00 -4.17 120.51 114.02 1ghk n ALA 56 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1ghk n ALA 56 Cb 0.47 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1ghk n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ghk n GLU 57 N -3.77 0.00 -3.46 0.00 2.13 -1.25 -4.56 120.64 109.73 1ghk n GLU 57 Ca -0.05 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.40 1ghk n GLU 57 Cb 0.19 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.83 1ghk n GLU 57 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ghk s ILE 58 N -0.80 5.26 -0.07 6.31 -1.09 -1.26 -3.92 121.20 125.64 1ghk s ILE 58 Ca 0.00 0.64 0.06 0.00 -2.23 0.00 0.00 60.65 59.12 1ghk s ILE 58 Cb 0.00 -3.68 -0.24 0.00 -1.58 0.00 0.00 42.46 36.95 1ghk s ILE 58 CO 0.00 0.34 0.57 0.52 -1.23 0.00 0.00 174.94 175.14 1ghk n VAL 59 N 3.84 1.68 -3.78 2.92 0.31 -0.96 -4.88 118.33 117.46 1ghk n VAL 59 Ca -0.10 -0.75 -0.34 0.00 -0.01 0.00 0.00 64.34 63.14 1ghk n VAL 59 Cb 0.52 -1.29 -0.05 0.00 -0.91 0.00 0.00 33.84 32.10 1ghk n VAL 59 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ghk s LYS 60 N -2.59 3.55 0.41 5.55 1.02 -1.26 -5.10 119.74 121.32 1ghk s LYS 60 Ca -0.11 -0.14 0.08 0.00 0.02 0.00 0.00 55.97 55.82 1ghk s LYS 60 Cb 0.07 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1ghk s LYS 60 CO 0.81 0.63 0.29 -0.80 -0.92 0.00 0.00 175.35 175.35 1ghk s ASN 61 N -1.90 4.81 0.62 2.83 0.01 -1.26 -5.07 114.94 114.98 1ghk s ASN 61 Ca 0.30 -0.86 -0.18 0.00 -0.71 0.00 0.00 52.86 51.41 1ghk s ASN 61 Cb -0.13 -0.57 -0.02 0.00 0.41 0.00 0.00 41.25 40.94 1ghk s ASN 61 CO 0.19 -0.58 1.22 -1.61 -1.51 0.00 0.00 177.10 174.81 1ghk s GLU 62 N -4.02 2.81 0.00 -0.60 2.02 -1.26 -2.72 118.70 114.92 1ghk s GLU 62 Ca 0.45 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.28 1ghk s GLU 62 Cb -0.01 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1ghk s GLU 62 CO 0.26 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1ghk n GLY 63 N 0.53 0.73 3.91 -1.39 0.00 -1.26 -5.03 105.19 102.68 1ghk n GLY 63 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1ghk n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ghk s ASP 64 N -2.44 5.17 0.14 1.61 -1.08 -1.10 -4.96 116.67 114.00 1ghk s ASP 64 Ca 0.00 -0.70 0.01 0.00 -0.52 0.00 0.00 52.55 51.34 1ghk s ASP 64 Cb 0.00 -0.50 -0.04 0.00 -1.46 0.00 0.00 42.92 40.92 1ghk s ASP 64 CO 0.00 -0.73 0.29 0.28 0.52 0.00 0.00 175.17 175.53 1ghk s THR 65 N -2.47 5.31 -0.04 1.71 -1.32 -1.26 -1.73 115.64 115.84 1ghk s THR 65 Ca 0.50 -0.56 0.05 0.00 -1.21 0.00 0.00 61.69 60.47 1ghk s THR 65 Cb -0.05 -3.72 -0.01 0.00 -1.51 0.00 0.00 72.50 67.22 1ghk s THR 65 CO 0.29 -0.06 -0.19 0.68 -2.21 0.00 0.00 174.62 173.13 1ghk s VAL 66 N -1.72 1.56 0.43 5.08 -7.23 -0.63 -4.80 120.40 113.10 1ghk s VAL 66 Ca 0.35 -0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1ghk s VAL 66 Cb -0.11 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1ghk s VAL 66 CO 0.28 0.44 0.66 -0.22 -0.31 0.00 0.00 175.10 175.96 1ghk s LEU 67 N -0.15 3.71 -0.00 1.32 2.96 -1.26 -1.88 118.68 123.37 1ghk s LEU 67 Ca -0.00 0.38 -0.34 0.00 -0.22 0.00 0.00 54.13 53.95 1ghk s LEU 67 Cb -0.11 -3.26 -0.12 0.00 0.50 0.00 0.00 46.19 43.21 1ghk s LEU 67 CO 0.01 -0.62 1.80 -0.24 -1.32 0.00 0.00 176.35 175.99 1ghk n SER 68 N -2.05 3.43 -2.05 3.68 2.88 -1.26 -0.75 113.62 117.50 1ghk n SER 68 Ca 0.00 1.00 -0.14 0.00 -1.33 0.00 0.00 58.87 58.40 1ghk n SER 68 Cb 0.57 -1.40 0.03 0.00 -0.75 0.00 0.00 64.21 62.65 1ghk n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ghk n GLY 69 N 4.14 -0.07 3.74 0.46 0.00 -1.21 -4.95 105.19 107.31 1ghk n GLY 69 Ca 0.21 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ghk n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ghk s GLU 70 N -5.34 4.76 -0.26 1.61 2.56 0.07 -4.60 118.70 117.51 1ghk s GLU 70 Ca 0.22 1.47 -0.29 0.00 0.00 0.00 0.00 54.97 56.37 1ghk s GLU 70 Cb -0.10 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.71 1ghk s GLU 70 CO 0.27 0.34 1.17 -1.17 -0.56 0.00 0.00 175.26 175.30 1ghk s LEU 71 N -0.51 4.02 -0.01 2.70 0.20 -1.26 -1.15 118.68 122.67 1ghk s LEU 71 Ca 0.44 1.31 0.22 0.00 0.69 0.00 0.00 54.13 56.79 1ghk s LEU 71 Cb -0.25 -3.54 -0.25 0.00 -0.43 0.00 0.00 46.19 41.72 1ghk s LEU 71 CO 0.31 -0.85 0.73 0.18 -0.29 0.00 0.00 176.35 176.42 1ghk n LEU 72 N 6.87 0.52 0.00 -0.68 4.32 -0.82 -4.70 117.00 122.52 1ghk n LEU 72 Ca 0.13 -0.23 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1ghk n LEU 72 Cb 0.46 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1ghk n LEU 72 CO 0.58 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.48 1ghk n GLY 73 N 1.38 -1.34 3.25 -0.72 0.00 -1.18 -2.27 105.19 104.31 1ghk n GLY 73 Ca 0.00 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1ghk n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ghk s LYS 74 N -1.99 0.76 0.19 1.61 -2.85 -1.25 -1.46 119.74 114.76 1ghk s LYS 74 Ca 0.00 -0.36 0.05 0.00 -1.00 0.00 0.00 55.97 54.66 1ghk s LYS 74 Cb 0.00 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 1ghk s LYS 74 CO 0.00 -0.23 0.20 -1.17 0.10 0.00 0.00 175.35 174.24 1ghk s LEU 75 N -1.75 3.95 0.53 2.77 0.20 -0.67 -0.00 118.68 123.71 1ghk s LEU 75 Ca -0.09 -0.08 0.02 0.00 0.69 0.00 0.00 54.13 54.67 1ghk s LEU 75 Cb -0.03 -2.53 0.03 0.00 -0.43 0.00 0.00 46.19 43.23 1ghk s LEU 75 CO 0.00 0.03 0.75 -0.89 -0.29 0.00 0.00 176.35 175.95 1ghk s THR 76 N -1.86 2.80 0.23 3.68 2.01 -0.69 -2.73 115.64 119.09 1ghk s THR 76 Ca 0.32 -0.67 -0.31 0.00 0.31 0.00 0.00 61.69 61.34 1ghk s THR 76 Cb -0.10 -3.04 -0.13 0.00 0.01 0.00 0.00 72.50 69.24 1ghk s THR 76 CO 0.25 -0.03 1.41 -0.62 -0.69 0.00 0.00 174.62 174.95 1ghk n GLU 77 N -2.29 2.03 -2.88 4.92 1.02 -1.26 -4.40 120.64 117.79 1ghk n GLU 77 Ca 0.07 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.53 1ghk n GLU 77 Cb 0.59 -2.38 -0.04 0.00 -0.02 0.00 0.00 31.44 29.59 1ghk n GLU 77 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ghk s GLY 78 N 0.32 2.81 0.00 0.62 0.00 -1.26 -4.49 107.32 105.33 1ghk s GLY 78 Ca 0.69 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.77 1ghk s GLY 78 CO 0.49 1.36 0.00 0.61 0.00 0.00 0.00 173.10 175.56