#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 -0.18 -0.11 0.00 -5.25 -1.26 -5.03 121.20 109.36 1ghk s ILE 2 Ca 0.00 0.20 -0.20 0.00 -0.99 0.00 0.00 60.65 59.66 1ghk s ILE 2 Cb 0.00 -0.41 -0.04 0.00 2.95 0.00 0.00 42.46 44.96 1ghk s ILE 2 CO 0.00 0.08 0.57 -0.62 -1.79 0.00 0.00 174.94 173.18 1ghk s ASP 3 N 1.72 6.79 -1.14 4.36 -1.08 -1.26 -2.24 116.67 123.81 1ghk s ASP 3 Ca -0.05 0.95 -0.08 0.00 -0.52 0.00 0.00 52.55 52.84 1ghk s ASP 3 Cb -0.11 -2.34 0.26 0.00 -1.46 0.00 0.00 42.92 39.27 1ghk s ASP 3 CO -0.09 -0.07 1.37 -0.38 0.52 0.00 0.00 175.17 176.52 1ghk n ILE 4 N 3.82 4.73 -3.93 4.11 5.41 -0.57 -5.01 119.36 127.92 1ghk n ILE 4 Ca -0.04 -5.33 -0.21 0.00 1.00 0.00 0.00 62.75 58.16 1ghk n ILE 4 Cb 0.51 -2.39 -0.03 0.00 -0.71 0.00 0.00 39.64 37.02 1ghk n ILE 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1ghk s LYS 5 N -1.07 3.07 0.77 0.38 0.00 -1.26 -1.49 119.74 120.13 1ghk s LYS 5 Ca 0.34 -1.00 -0.11 0.00 0.00 0.00 0.00 55.97 55.20 1ghk s LYS 5 Cb -0.02 -2.68 0.05 0.00 0.00 0.00 0.00 37.83 35.18 1ghk s LYS 5 CO -0.00 0.31 1.08 0.00 0.00 0.00 0.00 175.35 176.74 1ghk s ALA 6 N -2.12 2.35 1.05 0.59 0.00 -0.54 -4.89 121.76 118.19 1ghk s ALA 6 Ca 0.36 -0.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 1ghk s ALA 6 Cb -0.08 -3.14 0.24 0.00 0.00 0.00 0.00 23.12 20.14 1ghk s ALA 6 CO 0.27 -1.60 1.29 -0.35 0.00 0.00 0.00 175.76 175.37 1ghk n PRO 7 N -3.37 -1.66 -3.16 0.00 -0.04 -1.26 -3.70 135.00 121.82 1ghk n PRO 7 Ca 0.07 -2.01 -0.43 0.00 -0.04 0.00 0.00 63.50 61.09 1ghk n PRO 7 Cb 0.55 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 1ghk n PRO 7 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ghk s THR 8 N -3.75 4.88 0.84 0.52 2.01 -1.26 -4.21 115.64 114.66 1ghk s THR 8 Ca 0.75 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 1ghk s THR 8 Cb -0.03 -4.25 0.10 0.00 0.01 0.00 0.00 72.50 68.33 1ghk s THR 8 CO 0.53 -0.72 1.17 -0.36 -0.69 0.00 0.00 174.62 174.55 1ghk s PHE 9 N 2.64 1.82 0.00 4.92 0.08 -1.26 -5.02 117.98 121.16 1ghk s PHE 9 Ca 0.17 1.71 0.00 0.00 0.12 0.00 0.00 56.93 58.93 1ghk s PHE 9 Cb -0.18 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1ghk s PHE 9 CO 0.14 -2.71 0.00 -0.35 -0.10 0.00 0.00 175.22 172.20 1ghk n PRO 10 N -3.65 0.63 -0.05 0.24 -0.04 -1.25 -4.97 135.00 125.91 1ghk n PRO 10 Ca 0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1ghk n PRO 10 Cb 0.51 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 1ghk n PRO 10 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ghk h GLU 11 N 0.00 0.00 -1.63 0.54 3.07 -2.04 -3.30 114.58 111.23 1ghk h GLU 11 Ca 0.00 0.00 0.48 0.00 -0.50 0.00 0.00 59.36 59.34 1ghk h GLU 11 Cb 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.83 1ghk h GLU 11 CO 0.00 0.09 1.15 1.03 -1.40 0.00 0.00 179.01 179.89 1ghk h SER 12 N -1.00 0.05 -3.94 1.42 0.87 -2.05 -3.36 113.55 105.54 1ghk h SER 12 Ca -0.00 0.03 -0.69 0.00 -1.23 0.00 0.00 61.79 59.90 1ghk h SER 12 Cb 0.13 0.02 -0.22 0.00 -0.44 0.00 0.00 62.40 61.90 1ghk h SER 12 CO -0.00 -0.03 -0.76 -0.63 -0.53 0.00 0.00 176.83 174.87 1ghk s ILE 13 N -4.98 3.14 -0.15 2.23 1.01 -1.24 -5.01 121.20 116.19 1ghk s ILE 13 Ca -0.06 -0.79 0.16 0.00 0.00 0.00 0.00 60.65 59.96 1ghk s ILE 13 Cb 0.26 -2.27 0.43 0.00 0.01 0.00 0.00 42.46 40.90 1ghk s ILE 13 CO 0.86 0.52 1.20 0.00 0.00 0.00 0.00 174.94 177.52 1ghk n ALA 14 N 2.07 3.33 0.00 9.38 0.00 -1.26 -3.96 120.51 130.08 1ghk n ALA 14 Ca -0.17 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1ghk n ALA 14 Cb 0.52 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.57 0.00 -0.47 0.00 5.68 -1.26 -4.88 116.55 115.05 1ghk n ASP 15 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1ghk n ASP 15 Cb 0.86 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 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 -0.04 2.87 3.17 6.12 0.00 -0.77 -4.94 105.19 111.61 1ghk n GLY 16 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.76 -0.51 1.00 2.61 2.01 0.25 -2.14 115.64 116.10 1ghk s THR 17 Ca 0.00 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 1ghk s THR 17 Cb 0.00 -0.58 -0.10 0.00 0.01 0.00 0.00 72.50 71.84 1ghk s THR 17 CO 0.00 0.08 -0.62 0.52 -0.69 0.00 0.00 174.62 173.91 1ghk n VAL 18 N 5.27 0.00 0.00 3.82 0.31 -0.82 -0.08 118.33 126.82 1ghk n VAL 18 Ca -0.09 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1ghk n VAL 18 Cb 0.50 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 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 -3.11 1.01 -3.64 3.52 0.00 0.08 -3.53 120.51 114.83 1ghk n ALA 19 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1ghk n ALA 19 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.48 0.00 -1.04 0.00 2.01 -1.24 -4.45 115.64 110.44 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 1.43 3.30 0.00 4.92 0.52 -1.26 -3.18 118.94 124.67 1ghk s TRP 21 Ca -0.08 -1.72 -0.00 0.00 0.02 0.00 0.00 56.10 54.31 1ghk s TRP 21 Cb -0.05 -4.28 -0.00 0.00 -1.15 0.00 0.00 33.47 27.98 1ghk s TRP 21 CO -0.17 -1.44 1.01 0.45 0.02 0.00 0.00 176.95 176.82 1ghk h HIS 22 N 8.11 -0.02 -4.94 -1.98 3.86 -1.97 -3.43 115.15 114.77 1ghk h HIS 22 Ca 0.22 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.21 1ghk h HIS 22 Cb 0.96 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 1ghk h HIS 22 CO 1.13 -0.01 -0.07 1.63 0.86 0.00 0.00 177.93 181.48 1ghk n LYS 23 N -2.91 0.98 -4.38 2.45 5.02 -1.26 -5.14 118.16 112.92 1ghk n LYS 23 Ca -0.00 -1.38 -0.25 0.00 -2.02 0.00 0.00 58.31 54.66 1ghk n LYS 23 Cb 0.00 0.02 -0.09 0.00 -0.02 0.00 0.00 35.03 34.94 1ghk n LYS 23 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ghk s LYS 24 N -3.03 2.04 0.37 1.97 1.02 -1.26 -5.03 119.74 115.81 1ghk s LYS 24 Ca 0.20 -1.82 -0.25 0.00 0.02 0.00 0.00 55.97 54.12 1ghk s LYS 24 Cb -0.02 -1.87 -0.09 0.00 -0.52 0.00 0.00 37.83 35.33 1ghk s LYS 24 CO 0.13 0.10 1.01 -1.25 -0.92 0.00 0.00 175.35 174.42 1ghk s PRO 25 N -3.71 4.34 0.00 -1.68 0.04 -1.26 -3.63 135.00 129.10 1ghk s PRO 25 Ca 0.35 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1ghk s PRO 25 Cb 0.01 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1ghk s PRO 25 CO 0.19 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.67 1ghk n GLY 26 N 0.38 0.13 4.00 0.56 0.00 -1.23 -4.85 105.19 104.18 1ghk n GLY 26 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1ghk n GLY 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ghk s GLU 27 N -0.97 1.96 0.37 1.61 4.04 -1.24 -4.88 118.70 119.59 1ghk s GLU 27 Ca 0.00 -1.19 -0.03 0.00 0.04 0.00 0.00 54.97 53.79 1ghk s GLU 27 Cb 0.00 -2.43 -0.04 0.00 0.02 0.00 0.00 34.13 31.68 1ghk s GLU 27 CO 0.00 -1.19 0.63 0.00 -1.84 0.00 0.00 175.26 172.86 1ghk s ALA 28 N -2.97 3.57 0.00 -0.84 0.00 -1.26 -4.30 121.76 115.97 1ghk s ALA 28 Ca 0.64 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1ghk s ALA 28 Cb -0.06 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1ghk s ALA 28 CO 0.42 -0.05 0.00 1.33 0.00 0.00 0.00 175.76 177.46 1ghk n VAL 29 N -1.69 0.00 -3.85 0.00 0.24 -1.24 -5.04 118.33 106.75 1ghk n VAL 29 Ca -0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 1ghk n VAL 29 Cb 0.55 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.79 1ghk n VAL 29 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ghk s LYS 30 N -1.26 0.12 -0.27 7.34 2.47 -1.26 -4.62 119.74 122.26 1ghk s LYS 30 Ca 0.00 0.06 -0.43 0.00 -1.56 0.00 0.00 55.97 54.04 1ghk s LYS 30 Cb 0.00 0.05 -0.19 0.00 -1.46 0.00 0.00 37.83 36.24 1ghk s LYS 30 CO 0.00 -0.02 1.48 0.54 0.16 0.00 0.00 175.35 177.52 1ghk n ARG 31 N 2.91 0.41 -1.99 4.03 1.74 -1.26 -1.95 116.66 120.54 1ghk n ARG 31 Ca -0.13 0.15 -0.03 0.00 -0.77 0.00 0.00 57.85 57.06 1ghk n ARG 31 Cb 0.59 -1.71 0.02 0.00 -1.02 0.00 0.00 32.46 30.34 1ghk n ARG 31 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ghk n ASP 32 N 3.58 -2.68 -3.87 0.55 -0.08 -1.25 -4.89 116.55 107.91 1ghk n ASP 32 Ca 0.26 -0.14 -0.25 0.00 -1.51 0.00 0.00 54.79 53.15 1ghk n ASP 32 Cb 0.05 -1.46 -0.17 0.00 2.34 0.00 0.00 41.12 41.87 1ghk n ASP 32 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1ghk s GLU 33 N -3.58 1.19 1.00 -0.67 2.12 -0.82 -4.96 118.70 112.98 1ghk s GLU 33 Ca 0.07 -0.14 -0.18 0.00 0.36 0.00 0.00 54.97 55.08 1ghk s GLU 33 Cb -0.01 -1.32 -0.11 0.00 0.26 0.00 0.00 34.13 32.95 1ghk s GLU 33 CO 0.15 -0.25 -0.67 -0.11 -0.54 0.00 0.00 175.26 173.84 1ghk n LEU 34 N 4.88 -4.27 0.00 2.70 7.94 -1.26 -2.85 117.00 124.14 1ghk n LEU 34 Ca -0.12 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1ghk n LEU 34 Cb 0.50 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.64 1ghk n LEU 34 CO 0.16 -4.84 0.00 -0.38 -1.11 0.00 0.00 177.39 171.21 1ghk n ILE 35 N -2.98 0.00 -3.69 1.96 5.41 0.67 -4.71 119.36 116.01 1ghk n ILE 35 Ca -0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 1ghk n ILE 35 Cb 0.59 -0.44 -0.07 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 -1.95 0.05 0.14 1.39 0.11 -1.02 -4.05 120.40 115.07 1ghk s VAL 36 Ca 0.00 -0.42 0.10 0.00 -2.93 0.00 0.00 61.98 58.73 1ghk s VAL 36 Cb 0.00 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1ghk s VAL 36 CO 0.00 -0.23 -0.20 -1.81 -3.33 0.00 0.00 175.10 169.53 1ghk s ASP 37 N -1.59 3.72 0.20 3.54 1.01 -1.19 0.61 116.67 122.96 1ghk s ASP 37 Ca -0.10 -0.66 0.07 0.00 0.71 0.00 0.00 52.55 52.56 1ghk s ASP 37 Cb -0.03 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 1ghk s ASP 37 CO 0.02 0.16 0.09 -0.63 0.21 0.00 0.00 175.17 175.02 1ghk s ILE 38 N -1.30 4.12 -0.10 0.77 -1.09 -0.63 -0.75 121.20 122.23 1ghk s ILE 38 Ca 0.18 -1.34 -0.02 0.00 -2.23 0.00 0.00 60.65 57.24 1ghk s ILE 38 Cb -0.10 -3.13 0.04 0.00 -1.58 0.00 0.00 42.46 37.69 1ghk s ILE 38 CO 0.10 -0.18 0.01 -0.70 -1.23 0.00 0.00 174.94 172.93 1ghk s GLU 39 N -3.26 0.63 0.00 2.79 2.12 0.88 -1.86 118.70 120.00 1ghk s GLU 39 Ca 0.30 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.61 1ghk s GLU 39 Cb -0.09 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 33.03 1ghk s GLU 39 CO 0.22 -0.39 0.00 2.41 -0.54 0.00 0.00 175.26 176.96 1ghk n THR 40 N 5.12 0.00 -0.07 -1.70 -1.04 -1.03 -0.58 114.28 114.98 1ghk n THR 40 Ca -0.08 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 1ghk n THR 40 Cb 0.49 -0.21 -0.02 0.00 -1.82 0.00 0.00 70.33 68.77 1ghk n THR 40 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ghk h ASP 41 N 0.00 -0.46 -0.19 8.00 3.58 -1.98 -3.33 116.42 122.04 1ghk h ASP 41 Ca 0.00 0.07 -0.21 0.00 0.42 0.00 0.00 57.03 57.31 1ghk h ASP 41 Cb 0.00 0.20 -0.39 0.00 1.72 0.00 0.00 39.33 40.86 1ghk h ASP 41 CO 0.00 -0.07 -1.06 0.29 -2.88 0.00 0.00 179.24 175.52 1ghk n LYS 42 N -3.42 0.81 -3.69 0.28 5.02 -1.26 -5.02 118.16 110.87 1ghk n LYS 42 Ca -0.00 -2.69 -0.28 0.00 -2.02 0.00 0.00 58.31 53.32 1ghk n LYS 42 Cb 0.07 -0.74 -0.16 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.71 0.40 -0.33 -0.18 1.01 -1.25 -5.10 120.40 113.23 1ghk s VAL 43 Ca 0.32 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 1ghk s VAL 43 Cb 0.36 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 1ghk s VAL 43 CO -0.11 -0.35 0.66 -0.69 0.00 0.00 0.00 175.10 174.61 1ghk s VAL 44 N 1.90 4.88 0.58 2.92 1.01 -1.26 -2.47 120.40 127.97 1ghk s VAL 44 Ca 0.02 0.76 0.09 0.00 0.00 0.00 0.00 61.98 62.85 1ghk s VAL 44 Cb -0.17 -4.07 0.09 0.00 0.00 0.00 0.00 36.38 32.24 1ghk s VAL 44 CO -0.14 -0.26 0.81 -0.04 0.00 0.00 0.00 175.10 175.47 1ghk s MET 45 N 2.73 2.26 0.21 2.72 -1.94 -0.78 -4.92 119.30 119.57 1ghk s MET 45 Ca 0.26 -1.58 -0.00 0.00 -1.71 0.00 0.00 55.69 52.65 1ghk s MET 45 Cb -0.14 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.03 1ghk s MET 45 CO 0.14 -0.91 0.11 -1.21 -0.01 0.00 0.00 175.02 173.15 1ghk s GLU 46 N -4.71 1.24 -0.26 2.03 2.02 -1.26 -1.60 118.70 116.17 1ghk s GLU 46 Ca 0.62 -1.65 -0.04 0.00 0.02 0.00 0.00 54.97 53.92 1ghk s GLU 46 Cb -0.06 0.12 0.10 0.00 0.10 0.00 0.00 34.13 34.39 1ghk s GLU 46 CO 0.39 -0.35 0.16 0.08 0.02 0.00 0.00 175.26 175.56 1ghk s VAL 47 N -4.04 -0.16 0.17 2.63 1.01 0.20 -4.78 120.40 115.42 1ghk s VAL 47 Ca 0.38 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1ghk s VAL 47 Cb 0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1ghk s VAL 47 CO 0.12 -0.53 0.18 -0.22 0.00 0.00 0.00 175.10 174.64 1ghk s LEU 48 N 2.18 3.93 0.64 3.92 0.20 -1.26 -0.24 118.68 128.05 1ghk s LEU 48 Ca 0.07 -0.07 -0.08 0.00 0.69 0.00 0.00 54.13 54.75 1ghk s LEU 48 Cb -0.16 -2.52 0.02 0.00 -0.43 0.00 0.00 46.19 43.10 1ghk s LEU 48 CO -0.28 0.06 0.97 0.00 -0.29 0.00 0.00 176.35 176.81 1ghk s ALA 49 N -1.77 3.15 -1.20 5.97 0.00 -1.13 -4.89 121.76 121.88 1ghk s ALA 49 Ca 0.32 -0.61 0.18 0.00 0.00 0.00 0.00 51.96 51.85 1ghk s ALA 49 Cb -0.10 -2.74 0.61 0.00 0.00 0.00 0.00 23.12 20.89 1ghk s ALA 49 CO 0.25 -0.96 1.52 0.39 0.00 0.00 0.00 175.76 176.95 1ghk n GLU 50 N -2.75 3.26 0.00 0.00 1.02 -1.26 -3.95 120.64 116.96 1ghk n GLU 50 Ca 0.06 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 1ghk n GLU 50 Cb 0.58 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ghk n ALA 51 N 0.99 0.00 -0.48 0.62 0.00 -1.26 -4.76 120.51 115.62 1ghk n ALA 51 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1ghk n ALA 51 Cb 0.74 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.44 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 -2.24 0.00 0.00 2.03 -1.26 -4.50 116.55 110.57 1ghk n ASP 52 Ca 0.00 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.04 1ghk n ASP 52 Cb 0.00 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1ghk n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ghk n GLY 53 N 1.37 -0.56 3.12 0.27 0.00 -1.26 -4.91 105.19 103.22 1ghk n GLY 53 Ca 0.03 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.04 1.55 0.81 1.61 1.01 -1.24 -3.67 120.40 118.42 1ghk s VAL 54 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1ghk s VAL 54 Cb 0.00 -1.36 0.20 0.00 0.00 0.00 0.00 36.38 35.22 1ghk s VAL 54 CO 0.00 0.45 0.76 -0.38 0.00 0.00 0.00 175.10 175.93 1ghk n ILE 55 N 3.55 0.00 0.01 2.22 2.08 -1.26 -1.05 119.36 124.91 1ghk n ILE 55 Ca -0.20 -0.37 -0.03 0.00 0.56 0.00 0.00 62.75 62.70 1ghk n ILE 55 Cb 0.52 -1.23 -0.01 0.00 -0.75 0.00 0.00 39.64 38.18 1ghk n ILE 55 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ghk n ALA 56 N -4.17 2.37 -3.64 -1.39 0.00 0.17 -3.54 120.51 110.31 1ghk n ALA 56 Ca -0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 1ghk n ALA 56 Cb 0.40 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1ghk n ALA 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ghk s GLU 57 N -2.27 0.07 0.08 0.00 -1.05 -1.26 -4.47 118.70 109.80 1ghk s GLU 57 Ca -0.09 -0.02 -0.18 0.00 -0.15 0.00 0.00 54.97 54.54 1ghk s GLU 57 Cb 0.01 0.03 -0.07 0.00 -0.44 0.00 0.00 34.13 33.67 1ghk s GLU 57 CO 0.13 -0.03 0.54 0.42 0.95 0.00 0.00 175.26 177.28 1ghk s ILE 58 N -1.82 4.80 -0.48 1.83 1.09 -1.26 -3.92 121.20 121.43 1ghk s ILE 58 Ca 0.11 1.10 0.21 0.00 -1.10 0.00 0.00 60.65 60.97 1ghk s ILE 58 Cb -0.01 -3.84 -0.28 0.00 -1.06 0.00 0.00 42.46 37.27 1ghk s ILE 58 CO -0.04 0.50 0.66 0.52 -0.10 0.00 0.00 174.94 176.48 1ghk n VAL 59 N 1.57 0.00 -4.16 2.92 0.31 -0.64 -4.94 118.33 113.39 1ghk n VAL 59 Ca -0.10 -0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1ghk n VAL 59 Cb 0.51 0.49 -0.02 0.00 -0.91 0.00 0.00 33.84 33.91 1ghk n VAL 59 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ghk n LYS 60 N -1.87 1.17 -4.29 5.55 3.00 -1.26 -5.02 118.16 115.44 1ghk n LYS 60 Ca -0.00 -0.96 -0.15 0.00 -0.00 0.00 0.00 58.31 57.19 1ghk n LYS 60 Cb 0.44 0.41 -0.10 0.00 0.00 0.00 0.00 35.03 35.78 1ghk n LYS 60 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1ghk s ASN 61 N -1.71 1.62 0.19 3.14 0.01 -1.26 -5.07 114.94 111.86 1ghk s ASN 61 Ca 0.03 -1.17 -0.30 0.00 -0.71 0.00 0.00 52.86 50.71 1ghk s ASN 61 Cb 0.00 0.04 -0.09 0.00 0.41 0.00 0.00 41.25 41.61 1ghk s ASN 61 CO 0.02 -0.50 1.38 -1.61 -1.51 0.00 0.00 177.10 174.88 1ghk s GLU 62 N -3.86 4.33 0.00 -0.60 8.01 -1.26 -1.88 118.70 123.44 1ghk s GLU 62 Ca 0.25 2.14 0.00 0.00 0.01 0.00 0.00 54.97 57.37 1ghk s GLU 62 Cb 0.05 -3.18 0.00 0.00 -4.31 0.00 0.00 34.13 26.69 1ghk s GLU 62 CO 0.06 -0.36 0.00 0.41 0.01 0.00 0.00 175.26 175.38 1ghk n GLY 63 N 2.63 1.58 3.90 -1.39 0.00 -1.23 -4.96 105.19 105.72 1ghk n GLY 63 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.20 4.31 -0.11 1.61 -1.08 -0.79 -4.76 116.67 112.66 1ghk s ASP 64 Ca 0.00 0.74 -0.09 0.00 -0.52 0.00 0.00 52.55 52.68 1ghk s ASP 64 Cb 0.00 -1.19 -0.04 0.00 -1.46 0.00 0.00 42.92 40.22 1ghk s ASP 64 CO 0.00 -2.02 0.19 -0.89 0.52 0.00 0.00 175.17 172.96 1ghk s THR 65 N -3.59 5.42 0.39 1.71 2.01 -1.26 -1.95 115.64 118.37 1ghk s THR 65 Ca 0.63 0.32 0.06 0.00 0.31 0.00 0.00 61.69 63.01 1ghk s THR 65 Cb -0.11 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 1ghk s THR 65 CO 0.50 0.59 0.02 0.68 -0.69 0.00 0.00 174.62 175.72 1ghk s VAL 66 N -0.87 1.71 0.38 3.82 -7.23 -0.91 -4.92 120.40 112.37 1ghk s VAL 66 Ca 0.16 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 1ghk s VAL 66 Cb -0.13 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1ghk s VAL 66 CO 0.05 0.00 0.16 -1.48 -0.31 0.00 0.00 175.10 173.52 1ghk s LEU 67 N -3.66 1.89 0.53 1.32 2.34 -1.26 -1.84 118.68 118.00 1ghk s LEU 67 Ca 0.33 -1.67 -0.22 0.00 0.06 0.00 0.00 54.13 52.64 1ghk s LEU 67 Cb 0.09 0.08 -0.05 0.00 -0.56 0.00 0.00 46.19 45.74 1ghk s LEU 67 CO 0.16 -0.95 1.31 -0.55 -1.06 0.00 0.00 176.35 175.26 1ghk s SER 68 N -3.52 5.45 -1.66 1.48 0.15 -1.26 -2.01 113.70 112.32 1ghk s SER 68 Ca 0.29 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.59 1ghk s SER 68 Cb 0.03 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1ghk s SER 68 CO 0.18 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 173.79 1ghk n GLY 69 N 0.66 -0.18 3.61 9.45 0.00 -1.24 -4.91 105.19 112.58 1ghk n GLY 69 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.84 3.90 -0.49 1.61 2.56 -0.85 -4.85 118.70 115.74 1ghk s GLU 70 Ca 0.00 0.65 -0.28 0.00 0.00 0.00 0.00 54.97 55.34 1ghk s GLU 70 Cb 0.00 -3.78 -0.00 0.00 2.00 0.00 0.00 34.13 32.35 1ghk s GLU 70 CO 0.00 -0.88 1.59 -1.17 -0.56 0.00 0.00 175.26 174.24 1ghk s LEU 71 N 3.38 3.44 0.02 2.70 2.96 -1.26 -1.46 118.68 128.45 1ghk s LEU 71 Ca 0.38 0.63 0.25 0.00 -0.22 0.00 0.00 54.13 55.16 1ghk s LEU 71 Cb -0.12 -3.15 0.50 0.00 0.50 0.00 0.00 46.19 43.92 1ghk s LEU 71 CO 0.17 -1.79 1.41 0.18 -1.32 0.00 0.00 176.35 175.00 1ghk n LEU 72 N 10.22 0.51 0.00 -0.68 4.77 -0.56 -4.33 117.00 126.93 1ghk n LEU 72 Ca 0.17 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1ghk n LEU 72 Cb 0.49 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1ghk n LEU 72 CO 0.70 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1ghk n GLY 73 N 1.47 1.88 2.99 -0.72 0.00 -1.18 -1.62 105.19 108.01 1ghk n GLY 73 Ca 0.05 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.00 0.44 0.43 1.61 0.00 -1.25 -1.51 119.74 117.46 1ghk s LYS 74 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 55.97 55.67 1ghk s LYS 74 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 37.83 37.48 1ghk s LYS 74 CO 0.00 0.09 0.61 -1.17 0.00 0.00 0.00 175.35 174.88 1ghk s LEU 75 N -0.54 3.65 0.65 2.77 0.20 -0.95 0.42 118.68 124.87 1ghk s LEU 75 Ca -0.02 -0.16 -0.04 0.00 0.69 0.00 0.00 54.13 54.60 1ghk s LEU 75 Cb -0.04 -2.80 0.05 0.00 -0.43 0.00 0.00 46.19 42.96 1ghk s LEU 75 CO -0.00 -0.76 0.93 -0.89 -0.29 0.00 0.00 176.35 175.34 1ghk s THR 76 N -2.43 2.58 0.11 3.68 2.01 -0.21 -4.45 115.64 116.92 1ghk s THR 76 Ca 0.52 -0.34 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 1ghk s THR 76 Cb -0.10 -3.07 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 1ghk s THR 76 CO 0.34 -0.06 1.64 -0.33 -0.69 0.00 0.00 174.62 175.52 1ghk h GLU 77 N -0.35 -0.45 0.00 4.92 5.08 -1.96 -3.15 114.58 118.67 1ghk h GLU 77 Ca -0.44 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1ghk h GLU 77 Cb 1.30 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ghk h GLU 77 CO 0.58 -0.30 0.00 0.41 -1.00 0.00 0.00 179.01 178.70 1ghk n GLY 78 N -1.38 -0.32 0.00 -3.84 0.00 -1.26 -1.79 105.19 96.60 1ghk n GLY 78 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93