#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 3.69 0.11 0.00 -1.09 -1.25 -4.95 121.20 117.70 1ghk s ILE 2 Ca 0.00 -2.51 -0.31 0.00 -2.23 0.00 0.00 60.65 55.60 1ghk s ILE 2 Cb 0.00 -3.44 -0.08 0.00 -1.58 0.00 0.00 42.46 37.35 1ghk s ILE 2 CO 0.00 -0.81 1.53 -0.62 -1.23 0.00 0.00 174.94 173.81 1ghk s ASP 3 N 1.34 6.68 -0.57 3.58 2.15 -1.26 -1.85 116.67 126.74 1ghk s ASP 3 Ca 0.13 2.45 -0.13 0.00 0.43 0.00 0.00 52.55 55.43 1ghk s ASP 3 Cb -0.21 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 39.97 1ghk s ASP 3 CO -0.04 -0.79 0.50 -0.63 -0.17 0.00 0.00 175.17 174.04 1ghk s ILE 4 N 1.72 4.92 0.08 4.11 1.01 -0.64 -4.95 121.20 127.45 1ghk s ILE 4 Ca 0.69 -1.81 0.09 0.00 0.00 0.00 0.00 60.65 59.63 1ghk s ILE 4 Cb -0.39 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 1ghk s ILE 4 CO 0.31 -0.87 -0.24 -0.75 0.00 0.00 0.00 174.94 173.39 1ghk s LYS 5 N 1.22 1.73 0.84 2.79 2.20 -1.26 -1.78 119.74 125.48 1ghk s LYS 5 Ca 0.07 -1.17 -0.12 0.00 -0.36 0.00 0.00 55.97 54.39 1ghk s LYS 5 Cb -0.25 -2.01 0.10 0.00 -1.51 0.00 0.00 37.83 34.15 1ghk s LYS 5 CO -0.00 0.50 1.18 0.00 -0.36 0.00 0.00 175.35 176.66 1ghk s ALA 6 N -0.95 1.76 -0.14 3.13 0.00 -0.81 -4.92 121.76 119.84 1ghk s ALA 6 Ca 0.14 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.52 1ghk s ALA 6 Cb -0.10 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1ghk s ALA 6 CO 0.05 -2.39 1.11 -1.25 0.00 0.00 0.00 175.76 173.28 1ghk s PRO 7 N -4.35 4.33 -0.53 0.00 0.04 -1.26 -3.97 135.00 129.25 1ghk s PRO 7 Ca 0.70 1.50 -0.39 0.00 0.04 0.00 0.00 61.00 62.85 1ghk s PRO 7 Cb -0.26 -3.61 -0.17 0.00 0.04 0.00 0.00 34.50 30.50 1ghk s PRO 7 CO 0.53 -0.51 2.25 2.41 0.04 0.00 0.00 177.00 181.73 1ghk n THR 8 N 4.93 0.05 -2.33 1.26 -1.04 -1.26 -4.69 114.28 111.21 1ghk n THR 8 Ca 0.11 -0.11 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1ghk n THR 8 Cb 0.47 -0.94 -0.01 0.00 -1.82 0.00 0.00 70.33 68.02 1ghk n THR 8 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ghk s PHE 9 N 7.13 2.87 0.00 -1.42 0.08 -1.26 -5.02 117.98 120.36 1ghk s PHE 9 Ca 1.18 1.56 0.00 0.00 0.12 0.00 0.00 56.93 59.79 1ghk s PHE 9 Cb -1.21 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 37.96 1ghk s PHE 9 CO 0.57 -1.34 0.00 -0.35 -0.10 0.00 0.00 175.22 174.00 1ghk n PRO 10 N -0.76 1.11 -0.02 0.24 -0.04 -1.26 -4.94 135.00 129.33 1ghk n PRO 10 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1ghk n PRO 10 Cb 0.50 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.07 -0.77 0.54 4.39 -2.02 -3.33 114.58 113.32 1ghk h GLU 11 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1ghk h GLU 11 Cb 0.00 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.54 1ghk h GLU 11 CO 0.00 0.54 -0.44 1.03 -1.16 0.00 0.00 179.01 178.98 1ghk h SER 12 N -0.87 -1.55 -3.60 1.42 0.87 -2.03 -3.30 113.55 104.49 1ghk h SER 12 Ca -0.01 0.28 -0.64 0.00 -1.23 0.00 0.00 61.79 60.19 1ghk h SER 12 Cb 0.64 0.74 -0.14 0.00 -0.44 0.00 0.00 62.40 63.20 1ghk h SER 12 CO 0.01 -0.30 0.24 -0.63 -0.53 0.00 0.00 176.83 175.62 1ghk s ILE 13 N -5.83 4.76 -1.94 2.23 1.09 -1.25 -4.89 121.20 115.37 1ghk s ILE 13 Ca -0.14 0.38 0.10 0.00 -1.10 0.00 0.00 60.65 59.89 1ghk s ILE 13 Cb 0.15 -4.23 0.29 0.00 -1.06 0.00 0.00 42.46 37.61 1ghk s ILE 13 CO 0.67 -0.59 1.23 0.00 -0.10 0.00 0.00 174.94 176.16 1ghk n ALA 14 N 6.42 2.48 0.00 9.38 0.00 -1.24 -3.98 120.51 133.57 1ghk n ALA 14 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1ghk n ALA 14 Cb 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.45 0.00 -0.79 0.00 5.68 -1.26 -4.85 116.55 115.78 1ghk n ASP 15 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1ghk n ASP 15 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 -0.16 2.82 3.14 6.12 0.00 -0.90 -4.57 105.19 111.64 1ghk n GLY 16 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.64 -0.03 1.02 2.61 2.01 -1.01 -2.23 115.64 115.38 1ghk s THR 17 Ca 0.00 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 1ghk s THR 17 Cb 0.00 -0.45 0.07 0.00 0.01 0.00 0.00 72.50 72.13 1ghk s THR 17 CO 0.00 0.04 0.27 0.52 -0.69 0.00 0.00 174.62 174.77 1ghk n VAL 18 N 3.99 0.00 0.00 3.82 0.31 -0.91 -1.06 118.33 124.48 1ghk n VAL 18 Ca -0.22 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1ghk n VAL 18 Cb 0.55 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 -3.96 1.06 -3.64 3.52 0.00 -0.22 -4.29 120.51 112.97 1ghk n ALA 19 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 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 -0.36 0.00 -1.06 0.00 2.01 -1.23 -4.61 115.64 110.39 1ghk s THR 20 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 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 1.26 0.26 -0.69 0.00 0.00 174.62 175.45 1ghk s TRP 21 N 1.40 3.32 0.17 4.92 0.52 -1.26 -2.64 118.94 125.36 1ghk s TRP 21 Ca -0.08 -1.76 -0.28 0.00 0.02 0.00 0.00 56.10 54.00 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 -0.16 -1.43 1.55 0.45 0.02 0.00 0.00 176.95 177.38 1ghk h HIS 22 N 8.03 -1.57 -5.29 -1.98 3.86 -1.95 -3.41 115.15 112.82 1ghk h HIS 22 Ca 0.23 0.10 -0.26 0.00 -1.16 0.00 0.00 60.37 59.28 1ghk h HIS 22 Cb 0.95 0.79 0.01 0.00 1.06 0.00 0.00 27.41 30.22 1ghk h HIS 22 CO 1.13 -0.42 -0.05 1.63 0.86 0.00 0.00 177.93 181.08 1ghk n LYS 23 N -5.35 0.83 -4.47 2.45 5.02 -1.26 -5.13 118.16 110.26 1ghk n LYS 23 Ca 0.02 -1.65 -0.23 0.00 -2.02 0.00 0.00 58.31 54.43 1ghk n LYS 23 Cb 0.32 -0.08 -0.11 0.00 -0.02 0.00 0.00 35.03 35.15 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 -3.34 1.66 -0.24 1.97 1.02 -1.26 -5.02 119.74 114.53 1ghk s LYS 24 Ca 0.29 -1.90 -0.29 0.00 0.02 0.00 0.00 55.97 54.10 1ghk s LYS 24 Cb -0.02 -1.12 -0.00 0.00 -0.52 0.00 0.00 37.83 36.16 1ghk s LYS 24 CO 0.19 -0.07 1.21 -1.25 -0.92 0.00 0.00 175.35 174.51 1ghk s PRO 25 N -3.79 4.12 0.00 -1.68 0.04 -1.26 -3.58 135.00 128.85 1ghk s PRO 25 Ca 0.33 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1ghk s PRO 25 Cb 0.07 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1ghk s PRO 25 CO 0.14 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1ghk n GLY 26 N 3.80 0.83 0.87 0.56 0.00 -1.26 -4.86 105.19 105.14 1ghk n GLY 26 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.44 -4.08 1.61 -0.58 -1.23 -4.98 120.64 112.81 1ghk n GLU 27 Ca 0.00 -0.82 -0.23 0.00 -0.42 0.00 0.00 57.16 55.69 1ghk n GLU 27 Cb 0.00 0.13 -0.04 0.00 -0.57 0.00 0.00 31.44 30.96 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 3.63 0.15 0.62 0.00 -1.26 -3.81 121.76 118.90 1ghk s ALA 28 Ca 0.05 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1ghk s ALA 28 Cb -0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1ghk s ALA 28 CO 0.03 0.35 0.15 1.33 0.00 0.00 0.00 175.76 177.62 1ghk n VAL 29 N -0.88 0.00 -3.76 0.00 0.24 -1.00 -4.98 118.33 107.94 1ghk n VAL 29 Ca -0.08 -1.01 -0.13 0.00 -2.04 0.00 0.00 64.34 61.09 1ghk n VAL 29 Cb 0.57 0.53 -0.12 0.00 -1.47 0.00 0.00 33.84 33.35 1ghk n VAL 29 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ghk s LYS 30 N -2.53 0.30 0.17 7.34 1.02 -1.26 -4.11 119.74 120.67 1ghk s LYS 30 Ca 0.16 0.43 -0.31 0.00 0.02 0.00 0.00 55.97 56.28 1ghk s LYS 30 Cb 0.00 0.09 -0.17 0.00 -0.52 0.00 0.00 37.83 37.24 1ghk s LYS 30 CO 0.12 -0.07 0.80 -2.13 -0.92 0.00 0.00 175.35 173.15 1ghk n ARG 31 N 3.25 0.38 -2.67 1.68 0.63 -1.26 -2.25 116.66 116.42 1ghk n ARG 31 Ca -0.16 0.13 -0.08 0.00 -0.92 0.00 0.00 57.85 56.82 1ghk n ARG 31 Cb 0.57 -1.36 0.04 0.00 0.45 0.00 0.00 32.46 32.16 1ghk n ARG 31 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ghk n ASP 32 N 1.80 -2.30 -3.68 6.15 -0.08 -0.88 -4.93 116.55 112.63 1ghk n ASP 32 Ca 0.17 -0.31 -0.19 0.00 -1.51 0.00 0.00 54.79 52.94 1ghk n ASP 32 Cb 0.23 -2.81 -0.17 0.00 2.34 0.00 0.00 41.12 40.71 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 -4.55 -0.05 0.31 -0.67 -6.30 -0.95 -4.86 118.70 101.62 1ghk s GLU 33 Ca 0.03 0.41 -0.25 0.00 -2.50 0.00 0.00 54.97 52.66 1ghk s GLU 33 Cb -0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 34.13 33.53 1ghk s GLU 33 CO 0.36 -0.31 0.50 -0.11 0.02 0.00 0.00 175.26 175.72 1ghk n LEU 34 N 5.23 -0.88 0.00 2.70 7.94 -1.26 -0.90 117.00 129.83 1ghk n LEU 34 Ca -0.05 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1ghk n LEU 34 Cb 0.50 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1ghk n LEU 34 CO 0.07 -3.00 -0.13 -0.38 -1.11 0.00 0.00 177.39 172.84 1ghk n ILE 35 N -0.40 0.00 -3.62 1.96 5.41 -0.26 -4.72 119.36 117.73 1ghk n ILE 35 Ca 0.14 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.74 1ghk n ILE 35 Cb 0.33 -0.32 -0.07 0.00 -0.71 0.00 0.00 39.64 38.87 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 -1.48 0.00 0.12 1.39 0.11 -1.03 -3.70 120.40 115.81 1ghk s VAL 36 Ca 0.00 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 1ghk s VAL 36 Cb 0.00 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1ghk s VAL 36 CO 0.00 -0.01 0.11 -1.81 -3.33 0.00 0.00 175.10 170.06 1ghk s ASP 37 N -0.04 5.54 0.12 3.54 1.01 -1.08 -0.10 116.67 125.66 1ghk s ASP 37 Ca -0.03 -0.06 0.06 0.00 0.71 0.00 0.00 52.55 53.23 1ghk s ASP 37 Cb -0.04 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.38 1ghk s ASP 37 CO 0.03 0.12 -0.15 -0.63 0.21 0.00 0.00 175.17 174.75 1ghk s ILE 38 N -1.57 1.38 0.13 0.77 1.01 -0.55 -1.06 121.20 121.32 1ghk s ILE 38 Ca 0.30 -1.68 0.10 0.00 0.00 0.00 0.00 60.65 59.38 1ghk s ILE 38 Cb -0.11 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1ghk s ILE 38 CO 0.23 -0.36 -0.24 -0.70 0.00 0.00 0.00 174.94 173.87 1ghk s GLU 39 N -2.52 1.33 0.00 2.79 2.12 -0.22 -1.72 118.70 120.48 1ghk s GLU 39 Ca 0.08 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.08 1ghk s GLU 39 Cb -0.06 -1.71 0.00 0.00 0.26 0.00 0.00 34.13 32.62 1ghk s GLU 39 CO 0.03 0.40 0.00 0.25 -0.54 0.00 0.00 175.26 175.40 1ghk n THR 40 N 0.83 0.00 -0.02 -1.70 -2.24 -0.18 -2.40 114.28 108.57 1ghk n THR 40 Ca -0.17 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.60 1ghk n THR 40 Cb 0.54 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 1ghk n THR 40 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ghk h ASP 41 N 0.00 -0.15 0.00 3.42 3.58 -1.98 -3.33 116.42 117.95 1ghk h ASP 41 Ca 0.00 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 1ghk h ASP 41 Cb 0.00 0.07 -0.23 0.00 1.72 0.00 0.00 39.33 40.88 1ghk h ASP 41 CO 0.00 -0.02 -0.80 0.29 -2.88 0.00 0.00 179.24 175.83 1ghk n LYS 42 N -3.05 0.25 -4.19 0.28 5.02 -1.26 -5.08 118.16 110.13 1ghk n LYS 42 Ca -0.00 -1.95 -0.12 0.00 -2.02 0.00 0.00 58.31 54.23 1ghk n LYS 42 Cb 0.02 -0.39 -0.10 0.00 -0.02 0.00 0.00 35.03 34.55 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 -0.53 0.63 -0.03 -0.18 1.01 -1.25 -5.16 120.40 114.90 1ghk s VAL 43 Ca 0.26 -1.95 0.07 0.00 0.00 0.00 0.00 61.98 60.36 1ghk s VAL 43 Cb 0.29 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1ghk s VAL 43 CO -0.11 -0.69 -0.22 0.54 0.00 0.00 0.00 175.10 174.62 1ghk s VAL 44 N -3.68 1.79 -0.30 2.92 0.11 -1.26 -1.01 120.40 118.97 1ghk s VAL 44 Ca 0.17 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1ghk s VAL 44 Cb 0.06 -1.50 0.09 0.00 -1.53 0.00 0.00 36.38 33.50 1ghk s VAL 44 CO -0.01 0.51 0.06 -0.04 -3.33 0.00 0.00 175.10 172.28 1ghk s MET 45 N -0.42 1.11 0.80 1.54 -1.94 -0.70 -5.00 119.30 114.69 1ghk s MET 45 Ca 0.06 -1.31 -0.11 0.00 -1.71 0.00 0.00 55.69 52.62 1ghk s MET 45 Cb -0.10 -2.49 0.07 0.00 2.01 0.00 0.00 34.83 34.32 1ghk s MET 45 CO 0.00 -0.90 1.09 -1.21 -0.01 0.00 0.00 175.02 173.99 1ghk s GLU 46 N 1.35 2.10 -0.23 2.03 2.02 -1.26 -1.48 118.70 123.22 1ghk s GLU 46 Ca 0.07 0.74 -0.01 0.00 0.02 0.00 0.00 54.97 55.80 1ghk s GLU 46 Cb -0.18 -1.91 0.07 0.00 0.10 0.00 0.00 34.13 32.21 1ghk s GLU 46 CO -0.16 -1.64 0.02 0.08 0.02 0.00 0.00 175.26 173.59 1ghk s VAL 47 N -3.09 0.94 0.58 2.63 1.01 0.86 -4.85 120.40 118.48 1ghk s VAL 47 Ca 0.61 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1ghk s VAL 47 Cb -0.15 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1ghk s VAL 47 CO 0.55 -0.28 0.82 -0.76 0.00 0.00 0.00 175.10 175.43 1ghk s LEU 48 N 1.65 3.19 -0.02 3.92 1.02 -1.26 -1.10 118.68 126.07 1ghk s LEU 48 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 54.13 53.90 1ghk s LEU 48 Cb -0.18 -2.88 -0.05 0.00 0.02 0.00 0.00 46.19 43.10 1ghk s LEU 48 CO -0.11 -1.24 1.36 0.00 0.02 0.00 0.00 176.35 176.37 1ghk s ALA 49 N -2.86 3.57 -2.04 4.21 0.00 -0.08 -4.77 121.76 119.79 1ghk s ALA 49 Ca 0.58 0.80 0.12 0.00 0.00 0.00 0.00 51.96 53.46 1ghk s ALA 49 Cb -0.10 -3.58 0.59 0.00 0.00 0.00 0.00 23.12 20.02 1ghk s ALA 49 CO 0.40 -0.91 1.40 -1.91 0.00 0.00 0.00 175.76 174.73 1ghk n GLU 50 N 5.47 1.22 0.00 0.00 0.00 -1.26 -2.08 120.64 123.98 1ghk n GLU 50 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 57.16 56.96 1ghk n GLU 50 Cb 0.44 -1.21 0.00 0.00 0.00 0.00 0.00 31.44 30.67 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ghk n ALA 51 N -0.36 0.00 -0.73 4.31 0.00 -1.26 -4.95 120.51 117.52 1ghk n ALA 51 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 1ghk n ALA 51 Cb 0.11 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.58 0.00 0.00 2.03 -1.26 -4.47 116.55 110.27 1ghk n ASP 52 Ca 0.00 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1ghk n ASP 52 Cb 0.00 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 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 2.42 0.78 2.75 0.27 0.00 -1.26 -4.88 105.19 105.28 1ghk n GLY 53 Ca 0.00 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.70 0.05 1.01 1.61 1.01 -1.26 -2.38 120.40 117.75 1ghk s VAL 54 Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1ghk s VAL 54 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1ghk s VAL 54 CO 0.00 0.16 -0.51 -0.38 0.00 0.00 0.00 175.10 174.37 1ghk n ILE 55 N 4.70 0.00 -0.01 2.22 2.08 -1.25 -1.29 119.36 125.81 1ghk n ILE 55 Ca -0.16 -0.12 -0.02 0.00 0.56 0.00 0.00 62.75 63.01 1ghk n ILE 55 Cb 0.50 -0.32 -0.01 0.00 -0.75 0.00 0.00 39.64 39.06 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 -3.99 1.83 -3.64 -1.39 0.00 0.11 -4.15 120.51 109.28 1ghk n ALA 56 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 1ghk n ALA 56 Cb 0.58 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 1ghk n ALA 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ghk s GLU 57 N -1.69 0.40 -0.20 0.00 2.12 -1.26 -4.46 118.70 113.61 1ghk s GLU 57 Ca -0.06 0.50 -0.09 0.00 0.36 0.00 0.00 54.97 55.67 1ghk s GLU 57 Cb 0.01 0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 1ghk s GLU 57 CO 0.10 -0.05 0.11 0.42 -0.54 0.00 0.00 175.26 175.30 1ghk s ILE 58 N 0.32 5.16 -0.18 -3.70 -1.09 -1.26 -3.83 121.20 116.64 1ghk s ILE 58 Ca 0.03 0.10 0.15 0.00 -2.23 0.00 0.00 60.65 58.70 1ghk s ILE 58 Cb -0.05 -3.36 -0.24 0.00 -1.58 0.00 0.00 42.46 37.23 1ghk s ILE 58 CO -0.09 0.42 0.16 0.52 -1.23 0.00 0.00 174.94 174.72 1ghk n VAL 59 N 3.74 1.44 -3.16 2.92 0.31 -0.87 -4.84 118.33 117.88 1ghk n VAL 59 Ca -0.16 -0.82 -0.41 0.00 -0.01 0.00 0.00 64.34 62.94 1ghk n VAL 59 Cb 0.52 -0.66 -0.07 0.00 -0.91 0.00 0.00 33.84 32.72 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 -2.51 3.90 0.49 5.55 3.01 -1.26 -5.05 119.74 123.87 1ghk s LYS 60 Ca -0.11 0.24 -0.10 0.00 -1.01 0.00 0.00 55.97 54.99 1ghk s LYS 60 Cb 0.07 -3.72 -0.05 0.00 -1.01 0.00 0.00 37.83 33.11 1ghk s LYS 60 CO 0.81 -0.53 0.87 -0.80 0.51 0.00 0.00 175.35 176.21 1ghk s ASN 61 N 1.63 6.41 0.42 2.83 0.01 -1.26 -4.98 114.94 120.00 1ghk s ASN 61 Ca 0.23 1.22 -0.26 0.00 -0.71 0.00 0.00 52.86 53.34 1ghk s ASN 61 Cb -0.15 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.04 1ghk s ASN 61 CO 0.11 -0.58 1.30 -0.62 -1.51 0.00 0.00 177.10 175.80 1ghk n GLU 62 N -1.92 1.99 -0.61 -0.60 4.71 -1.26 -2.12 120.64 120.83 1ghk n GLU 62 Ca 0.03 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.89 1ghk n GLU 62 Cb 0.54 -2.42 0.00 0.00 -1.01 0.00 0.00 31.44 28.55 1ghk n GLU 62 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ghk n GLY 63 N 0.77 0.68 3.92 0.62 0.00 -1.26 -5.03 105.19 104.90 1ghk n GLY 63 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.08 5.20 0.03 1.61 -1.08 -0.90 -4.94 116.67 114.52 1ghk s ASP 64 Ca 0.00 -0.69 0.02 0.00 -0.52 0.00 0.00 52.55 51.37 1ghk s ASP 64 Cb 0.00 -0.50 -0.04 0.00 -1.46 0.00 0.00 42.92 40.93 1ghk s ASP 64 CO 0.00 -0.75 0.02 -0.89 0.52 0.00 0.00 175.17 174.07 1ghk s THR 65 N -2.46 4.21 -0.02 1.71 2.01 -1.26 -2.14 115.64 117.68 1ghk s THR 65 Ca 0.50 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1ghk s THR 65 Cb -0.05 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 1ghk s THR 65 CO 0.30 0.27 -0.20 0.68 -0.69 0.00 0.00 174.62 174.97 1ghk s VAL 66 N -1.20 1.58 0.33 3.82 -7.23 -0.95 -4.93 120.40 111.82 1ghk s VAL 66 Ca 0.23 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.60 1ghk s VAL 66 Cb -0.12 -1.31 0.05 0.00 0.56 0.00 0.00 36.38 35.56 1ghk s VAL 66 CO 0.14 0.45 0.44 0.18 -0.31 0.00 0.00 175.10 176.00 1ghk n LEU 67 N 2.61 0.00 -4.67 1.32 4.32 -1.26 -2.12 117.00 117.19 1ghk n LEU 67 Ca -0.15 -1.46 -0.42 0.00 -0.02 0.00 0.00 56.01 53.96 1ghk n LEU 67 Cb 0.53 -0.22 -0.03 0.00 -1.62 0.00 0.00 43.42 42.08 1ghk n LEU 67 CO 0.24 -0.60 1.40 -0.55 -1.22 0.00 0.00 177.39 176.66 1ghk s SER 68 N -3.04 6.59 -0.04 -1.43 0.15 -1.26 -1.89 113.70 112.77 1ghk s SER 68 Ca 0.33 2.44 -0.00 0.00 0.70 0.00 0.00 55.95 59.42 1ghk s SER 68 Cb -0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1ghk s SER 68 CO 0.21 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1ghk n GLY 69 N 4.16 0.42 3.54 9.45 0.00 -1.25 -4.97 105.19 116.54 1ghk n GLY 69 Ca 0.17 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.16 3.35 -0.04 1.61 2.56 -0.79 -4.79 118.70 116.43 1ghk s GLU 70 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 54.97 54.51 1ghk s GLU 70 Cb -0.00 -4.08 -0.06 0.00 2.00 0.00 0.00 34.13 31.99 1ghk s GLU 70 CO 0.00 -1.66 1.67 -1.17 -0.56 0.00 0.00 175.26 173.54 1ghk s LEU 71 N 4.48 4.33 0.06 2.70 0.20 -1.26 -1.92 118.68 127.28 1ghk s LEU 71 Ca 0.34 2.28 0.22 0.00 0.69 0.00 0.00 54.13 57.66 1ghk s LEU 71 Cb -0.11 -3.53 -0.17 0.00 -0.43 0.00 0.00 46.19 41.95 1ghk s LEU 71 CO 0.20 -0.93 0.76 0.18 -0.29 0.00 0.00 176.35 176.27 1ghk n LEU 72 N 7.07 0.40 0.00 -0.68 4.77 -0.73 -4.65 117.00 123.19 1ghk n LEU 72 Ca 0.17 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1ghk n LEU 72 Cb 0.43 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ghk n LEU 72 CO 0.63 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1ghk n GLY 73 N 1.26 -2.20 3.02 -0.72 0.00 -1.19 -2.04 105.19 103.32 1ghk n GLY 73 Ca -0.02 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1ghk n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghk s LYS 74 N -1.97 0.40 0.22 1.61 1.02 -1.25 -1.61 119.74 118.16 1ghk s LYS 74 Ca 0.00 -0.73 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 1ghk s LYS 74 Cb 0.00 0.15 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1ghk s LYS 74 CO 0.00 -0.07 0.50 -1.17 -0.92 0.00 0.00 175.35 173.69 1ghk s LEU 75 N -1.81 4.17 0.48 3.17 2.96 -0.77 0.09 118.68 126.97 1ghk s LEU 75 Ca -0.10 0.76 0.07 0.00 -0.22 0.00 0.00 54.13 54.64 1ghk s LEU 75 Cb -0.05 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1ghk s LEU 75 CO -0.03 -0.07 0.66 -0.89 -1.32 0.00 0.00 176.35 174.70 1ghk s THR 76 N -1.85 2.73 0.00 3.68 2.01 -0.41 -3.93 115.64 117.87 1ghk s THR 76 Ca 0.45 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1ghk s THR 76 Cb -0.11 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1ghk s THR 76 CO 0.25 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.56 1ghk n GLU 77 N -2.04 -0.46 0.00 4.92 1.02 -1.26 -4.26 120.64 118.56 1ghk n GLU 77 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1ghk n GLU 77 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1ghk n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ghk n GLY 78 N 3.62 0.72 0.00 0.62 0.00 -1.26 -4.13 105.19 104.77 1ghk n GLY 78 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.21 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93