#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 -0.32 0.55 0.00 1.01 -1.22 -4.99 121.20 116.23 1ghk s ILE 2 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 1ghk s ILE 2 Cb 0.00 -0.52 -0.06 0.00 0.01 0.00 0.00 42.46 41.89 1ghk s ILE 2 CO 0.00 0.08 1.10 -0.62 0.00 0.00 0.00 174.94 175.50 1ghk s ASP 3 N 2.03 5.78 -0.56 3.58 2.15 -1.26 -1.62 116.67 126.77 1ghk s ASP 3 Ca -0.04 2.08 0.06 0.00 0.43 0.00 0.00 52.55 55.08 1ghk s ASP 3 Cb -0.11 -2.57 0.23 0.00 -0.30 0.00 0.00 42.92 40.17 1ghk s ASP 3 CO -0.10 -1.17 0.61 -0.38 -0.17 0.00 0.00 175.17 173.95 1ghk n ILE 4 N -1.41 1.10 -3.30 4.11 5.41 -0.13 -4.89 119.36 120.26 1ghk n ILE 4 Ca 0.11 -4.68 -0.18 0.00 1.00 0.00 0.00 62.75 59.00 1ghk n ILE 4 Cb 0.52 -2.04 -0.00 0.00 -0.71 0.00 0.00 39.64 37.41 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 -1.74 2.88 0.78 0.38 -2.85 -1.26 -1.53 119.74 116.40 1ghk s LYS 5 Ca 0.36 -1.20 -0.12 0.00 -1.00 0.00 0.00 55.97 54.00 1ghk s LYS 5 Cb 0.11 -2.71 0.06 0.00 -2.06 0.00 0.00 37.83 33.24 1ghk s LYS 5 CO -0.08 -0.12 1.13 0.00 0.10 0.00 0.00 175.35 176.38 1ghk s ALA 6 N -2.30 2.09 0.83 0.59 0.00 -0.62 -4.85 121.76 117.49 1ghk s ALA 6 Ca 0.50 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1ghk s ALA 6 Cb -0.09 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.77 1ghk s ALA 6 CO 0.31 -1.92 1.15 -1.25 0.00 0.00 0.00 175.76 174.05 1ghk s PRO 7 N -4.51 1.77 0.29 0.00 0.04 -1.26 -3.04 135.00 128.28 1ghk s PRO 7 Ca 0.66 0.23 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 1ghk s PRO 7 Cb -0.21 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1ghk s PRO 7 CO 0.52 -1.75 1.03 0.99 0.04 0.00 0.00 177.00 177.82 1ghk s THR 8 N -3.44 3.76 0.14 1.26 2.01 -1.26 -3.91 115.64 114.21 1ghk s THR 8 Ca 0.62 1.68 0.05 0.00 0.31 0.00 0.00 61.69 64.35 1ghk s THR 8 Cb -0.12 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1ghk s THR 8 CO 0.51 0.33 0.06 -0.36 -0.69 0.00 0.00 174.62 174.46 1ghk s PHE 9 N -1.29 3.03 0.80 4.92 0.08 -1.26 -5.07 117.98 119.19 1ghk s PHE 9 Ca 0.46 -0.04 -0.12 0.00 0.12 0.00 0.00 56.93 57.35 1ghk s PHE 9 Cb -0.27 -1.49 0.07 0.00 -0.57 0.00 0.00 43.02 40.76 1ghk s PHE 9 CO 0.35 0.51 1.13 -1.25 -0.10 0.00 0.00 175.22 175.86 1ghk s PRO 10 N -2.78 2.09 0.16 0.24 0.04 -1.25 -4.90 135.00 128.59 1ghk s PRO 10 Ca 0.28 0.35 -0.22 0.00 0.04 0.00 0.00 61.00 61.45 1ghk s PRO 10 Cb -0.10 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1ghk s PRO 10 CO 0.21 -1.56 1.61 0.93 0.04 0.00 0.00 177.00 178.23 1ghk h GLU 11 N -1.03 -0.22 -0.88 4.56 5.08 -2.02 -0.28 114.58 119.79 1ghk h GLU 11 Ca -0.47 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.10 1ghk h GLU 11 Cb 1.30 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.43 1ghk h GLU 11 CO 0.63 -0.15 -0.13 1.03 -1.00 0.00 0.00 179.01 179.40 1ghk h SER 12 N -0.23 -0.66 -3.65 1.42 0.87 -2.04 -3.33 113.55 105.93 1ghk h SER 12 Ca 0.17 0.25 -0.62 0.00 -1.23 0.00 0.00 61.79 60.36 1ghk h SER 12 Cb 0.50 0.50 -0.14 0.00 -0.44 0.00 0.00 62.40 62.82 1ghk h SER 12 CO -0.49 -0.28 -0.28 -0.63 -0.53 0.00 0.00 176.83 174.62 1ghk s ILE 13 N -6.18 5.21 -1.65 2.23 1.01 -0.11 -4.93 121.20 116.79 1ghk s ILE 13 Ca -0.14 0.53 0.21 0.00 0.00 0.00 0.00 60.65 61.24 1ghk s ILE 13 Cb 0.25 -3.67 0.65 0.00 0.01 0.00 0.00 42.46 39.70 1ghk s ILE 13 CO 0.77 0.21 1.55 0.00 0.00 0.00 0.00 174.94 177.47 1ghk n ALA 14 N 4.95 2.57 -3.01 9.38 0.00 -1.25 -3.92 120.51 129.22 1ghk n ALA 14 Ca -0.10 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1ghk n ALA 14 Cb 0.51 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.41 -0.02 -1.67 0.00 5.68 -1.26 -4.66 116.55 116.03 1ghk n ASP 15 Ca 0.24 -1.00 -0.05 0.00 -0.50 0.00 0.00 54.79 53.48 1ghk n ASP 15 Cb 0.69 0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.69 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 -0.01 2.49 3.20 6.12 0.00 -1.03 -4.52 105.19 111.44 1ghk n GLY 16 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.60 -0.14 1.03 2.61 2.01 0.93 -1.92 115.64 117.56 1ghk s THR 17 Ca 0.09 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 62.08 1ghk s THR 17 Cb -0.01 -0.55 0.11 0.00 0.01 0.00 0.00 72.50 72.06 1ghk s THR 17 CO 0.06 0.05 0.46 0.52 -0.69 0.00 0.00 174.62 175.03 1ghk n VAL 18 N 4.49 0.00 0.00 3.82 0.31 -0.74 -0.18 118.33 126.03 1ghk n VAL 18 Ca -0.21 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1ghk n VAL 18 Cb 0.53 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 -4.12 1.27 -3.61 3.52 0.00 -0.48 -3.48 120.51 113.61 1ghk n ALA 19 Ca 0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1ghk n ALA 19 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.61 -0.00 -1.08 0.00 2.01 -1.25 -3.85 115.64 110.85 1ghk s THR 20 Ca 0.00 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1ghk s THR 20 Cb 0.00 -0.93 0.15 0.00 0.01 0.00 0.00 72.50 71.74 1ghk s THR 20 CO 0.00 0.00 1.29 0.26 -0.69 0.00 0.00 174.62 175.48 1ghk s TRP 21 N 1.01 3.33 0.14 4.92 0.52 -1.26 -3.07 118.94 124.54 1ghk s TRP 21 Ca -0.05 -1.80 -0.31 0.00 0.02 0.00 0.00 56.10 53.96 1ghk s TRP 21 Cb -0.05 -4.29 -0.09 0.00 -1.15 0.00 0.00 33.47 27.89 1ghk s TRP 21 CO -0.10 -1.43 1.53 0.45 0.02 0.00 0.00 176.95 177.42 1ghk h HIS 22 N 7.92 -1.76 -4.53 -1.98 3.86 -1.95 -3.42 115.15 113.29 1ghk h HIS 22 Ca 0.24 0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.46 1ghk h HIS 22 Cb 0.94 0.86 0.01 0.00 1.06 0.00 0.00 27.41 30.28 1ghk h HIS 22 CO 1.13 -0.41 -0.02 1.63 0.86 0.00 0.00 177.93 181.12 1ghk n LYS 23 N -5.23 0.93 -4.51 2.45 4.76 -1.26 -5.14 118.16 110.16 1ghk n LYS 23 Ca -0.01 -0.64 -0.24 0.00 -2.87 0.00 0.00 58.31 54.55 1ghk n LYS 23 Cb 0.29 -0.05 -0.11 0.00 -1.84 0.00 0.00 35.03 33.33 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 -2.54 1.76 -0.86 1.97 1.02 -1.26 -5.06 119.74 114.77 1ghk s LYS 24 Ca 0.12 -1.97 -0.25 0.00 0.02 0.00 0.00 55.97 53.89 1ghk s LYS 24 Cb -0.01 -1.22 0.01 0.00 -0.52 0.00 0.00 37.83 36.10 1ghk s LYS 24 CO 0.08 -0.10 1.56 -1.25 -0.92 0.00 0.00 175.35 174.72 1ghk s PRO 25 N -3.79 3.13 0.00 -1.68 0.04 -1.26 -3.16 135.00 128.28 1ghk s PRO 25 Ca 0.35 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1ghk s PRO 25 Cb 0.08 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.79 1ghk s PRO 25 CO 0.16 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1ghk n GLY 26 N 6.29 0.39 3.93 0.56 0.00 -1.26 -4.70 105.19 110.40 1ghk n GLY 26 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 2.07 -0.18 1.61 4.04 -1.19 -4.83 118.70 120.22 1ghk s GLU 27 Ca 0.00 -0.25 -0.14 0.00 0.04 0.00 0.00 54.97 54.62 1ghk s GLU 27 Cb 0.00 -2.13 -0.04 0.00 0.02 0.00 0.00 34.13 31.97 1ghk s GLU 27 CO 0.00 -1.35 0.31 0.00 -1.84 0.00 0.00 175.26 172.38 1ghk s ALA 28 N -3.31 3.58 0.27 -0.84 0.00 -1.26 -4.03 121.76 116.17 1ghk s ALA 28 Ca 0.61 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1ghk s ALA 28 Cb -0.10 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.59 1ghk s ALA 28 CO 0.46 -0.07 0.19 1.33 0.00 0.00 0.00 175.76 177.67 1ghk n VAL 29 N 3.91 0.00 -3.75 0.00 0.24 -1.16 -5.03 118.33 112.54 1ghk n VAL 29 Ca -0.11 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.69 1ghk n VAL 29 Cb 0.52 -1.07 -0.11 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.73 0.33 -0.05 7.34 -0.14 -1.26 -4.42 119.74 118.81 1ghk s LYS 30 Ca 0.13 0.48 -0.40 0.00 -1.36 0.00 0.00 55.97 54.83 1ghk s LYS 30 Cb -0.01 0.09 -0.19 0.00 -1.68 0.00 0.00 37.83 36.05 1ghk s LYS 30 CO 0.09 -0.08 1.25 -2.13 -0.76 0.00 0.00 175.35 173.72 1ghk n ARG 31 N 3.32 0.39 -2.35 1.68 0.00 -1.26 -1.92 116.66 116.52 1ghk n ARG 31 Ca -0.16 0.14 -0.06 0.00 -0.00 0.00 0.00 57.85 57.77 1ghk n ARG 31 Cb 0.57 -1.69 0.03 0.00 0.00 0.00 0.00 32.46 31.36 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 2.30 -2.74 -3.68 6.15 2.03 -0.96 -4.96 116.55 114.70 1ghk n ASP 32 Ca 0.21 -0.24 -0.18 0.00 0.52 0.00 0.00 54.79 55.11 1ghk n ASP 32 Cb 0.10 -2.18 -0.17 0.00 -0.72 0.00 0.00 41.12 38.15 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 -4.06 -0.01 0.29 -0.67 2.56 -0.81 -4.95 118.70 111.05 1ghk s GLU 33 Ca 0.07 0.47 -0.26 0.00 0.00 0.00 0.00 54.97 55.25 1ghk s GLU 33 Cb -0.01 -0.36 -0.15 0.00 2.00 0.00 0.00 34.13 35.60 1ghk s GLU 33 CO 0.26 -0.31 0.53 -0.11 -0.56 0.00 0.00 175.26 175.08 1ghk n LEU 34 N 5.23 -0.81 0.00 2.70 7.94 -1.26 -2.92 117.00 127.88 1ghk n LEU 34 Ca -0.06 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 1ghk n LEU 34 Cb 0.50 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1ghk n LEU 34 CO 0.06 -2.93 -0.26 -0.38 -1.11 0.00 0.00 177.39 172.78 1ghk n ILE 35 N -0.31 0.00 -3.62 1.96 2.08 -0.38 -4.83 119.36 114.25 1ghk n ILE 35 Ca 0.14 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.30 1ghk n ILE 35 Cb 0.32 -0.42 -0.07 0.00 -0.75 0.00 0.00 39.64 38.72 1ghk n ILE 35 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1ghk s VAL 36 N -1.62 0.01 0.07 1.39 0.11 -1.03 -3.99 120.40 115.35 1ghk s VAL 36 Ca 0.00 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1ghk s VAL 36 Cb 0.00 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1ghk s VAL 36 CO 0.00 -0.03 0.15 -1.81 -3.33 0.00 0.00 175.10 170.08 1ghk s ASP 37 N -0.36 5.95 0.11 3.54 1.01 -1.18 0.90 116.67 126.65 1ghk s ASP 37 Ca -0.05 0.13 0.06 0.00 0.71 0.00 0.00 52.55 53.40 1ghk s ASP 37 Cb -0.03 -1.72 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 1ghk s ASP 37 CO 0.04 0.16 -0.03 -0.63 0.21 0.00 0.00 175.17 174.92 1ghk s ILE 38 N -1.47 3.76 -0.30 0.77 1.01 -0.00 -1.39 121.20 123.58 1ghk s ILE 38 Ca 0.32 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1ghk s ILE 38 Cb -0.12 -2.80 0.11 0.00 0.01 0.00 0.00 42.46 39.66 1ghk s ILE 38 CO 0.25 0.08 0.18 -0.70 0.00 0.00 0.00 174.94 174.75 1ghk s GLU 39 N -2.38 0.26 0.35 2.79 2.12 0.75 -2.37 118.70 120.22 1ghk s GLU 39 Ca 0.25 -0.54 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 1ghk s GLU 39 Cb -0.11 -1.06 0.07 0.00 0.26 0.00 0.00 34.13 33.29 1ghk s GLU 39 CO 0.17 -1.05 0.48 2.41 -0.54 0.00 0.00 175.26 176.73 1ghk n THR 40 N 5.11 0.00 -0.32 -1.70 -1.04 -0.74 -0.05 114.28 115.55 1ghk n THR 40 Ca -0.03 -0.66 0.15 0.00 -2.04 0.00 0.00 64.05 61.47 1ghk n THR 40 Cb 0.42 -1.27 0.31 0.00 -1.82 0.00 0.00 70.33 67.97 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 -0.36 -0.20 0.00 8.00 3.58 -1.93 -3.27 116.42 122.23 1ghk h ASP 41 Ca -0.16 0.24 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 1ghk h ASP 41 Cb 0.55 0.37 -0.13 0.00 1.72 0.00 0.00 39.33 41.83 1ghk h ASP 41 CO 0.16 -0.27 -0.34 0.29 -2.88 0.00 0.00 179.24 176.20 1ghk n LYS 42 N -5.35 0.00 -3.86 0.28 4.01 -1.26 -5.07 118.16 106.91 1ghk n LYS 42 Ca 0.23 -0.92 -0.30 0.00 -0.51 0.00 0.00 58.31 56.81 1ghk n LYS 42 Cb 0.76 0.27 -0.16 0.00 -0.51 0.00 0.00 35.03 35.40 1ghk n LYS 42 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1ghk s VAL 43 N 0.00 1.25 -0.10 -0.18 1.01 -1.24 -5.11 120.40 116.04 1ghk s VAL 43 Ca 0.05 -1.24 -0.20 0.00 0.00 0.00 0.00 61.98 60.59 1ghk s VAL 43 Cb 0.05 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1ghk s VAL 43 CO -0.02 -0.31 0.54 -0.69 0.00 0.00 0.00 175.10 174.62 1ghk s VAL 44 N 1.49 5.13 -0.20 2.92 1.01 -1.26 -1.79 120.40 127.70 1ghk s VAL 44 Ca 0.00 1.10 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 1ghk s VAL 44 Cb -0.18 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.40 1ghk s VAL 44 CO -0.11 0.32 0.14 -0.04 0.00 0.00 0.00 175.10 175.41 1ghk s MET 45 N 0.59 0.13 1.21 2.72 -1.94 -1.00 -4.98 119.30 116.02 1ghk s MET 45 Ca 0.29 -0.05 -0.15 0.00 -1.71 0.00 0.00 55.69 54.07 1ghk s MET 45 Cb -0.16 -1.52 0.29 0.00 2.01 0.00 0.00 34.83 35.46 1ghk s MET 45 CO 0.13 -0.72 1.02 -1.21 -0.01 0.00 0.00 175.02 174.22 1ghk s GLU 46 N 2.20 -1.25 -0.28 2.03 2.02 -1.26 -0.82 118.70 121.34 1ghk s GLU 46 Ca 0.05 0.57 -0.02 0.00 0.02 0.00 0.00 54.97 55.58 1ghk s GLU 46 Cb -0.16 -1.54 0.09 0.00 0.10 0.00 0.00 34.13 32.63 1ghk s GLU 46 CO -0.14 -3.87 0.10 0.08 0.02 0.00 0.00 175.26 171.44 1ghk s VAL 47 N -2.52 0.48 0.25 2.63 1.01 0.26 -4.68 120.40 117.83 1ghk s VAL 47 Ca 0.68 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1ghk s VAL 47 Cb -0.21 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1ghk s VAL 47 CO 0.62 -0.59 0.48 -0.76 0.00 0.00 0.00 175.10 174.85 1ghk s LEU 48 N 1.83 4.14 0.21 3.92 1.02 -1.26 -1.25 118.68 127.29 1ghk s LEU 48 Ca 0.07 0.55 -0.22 0.00 0.02 0.00 0.00 54.13 54.56 1ghk s LEU 48 Cb -0.17 -3.35 -0.08 0.00 0.02 0.00 0.00 46.19 42.61 1ghk s LEU 48 CO -0.25 -0.13 0.75 0.00 0.02 0.00 0.00 176.35 176.74 1ghk s ALA 49 N -1.99 3.41 -1.32 4.21 0.00 -1.15 -4.88 121.76 120.05 1ghk s ALA 49 Ca 0.41 0.24 0.19 0.00 0.00 0.00 0.00 51.96 52.80 1ghk s ALA 49 Cb -0.11 -2.88 0.70 0.00 0.00 0.00 0.00 23.12 20.84 1ghk s ALA 49 CO 0.30 0.31 1.60 0.39 0.00 0.00 0.00 175.76 178.36 1ghk n GLU 50 N 0.97 3.51 -3.65 0.00 -0.58 -1.26 -2.27 120.64 117.36 1ghk n GLU 50 Ca -0.03 -2.78 -0.02 0.00 -0.42 0.00 0.00 57.16 53.91 1ghk n GLU 50 Cb 0.50 -1.83 -0.07 0.00 -0.57 0.00 0.00 31.44 29.47 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ghk s ALA 51 N -1.70 -2.24 1.23 0.62 0.00 -1.26 -4.87 121.76 113.55 1ghk s ALA 51 Ca 0.50 1.68 -0.14 0.00 0.00 0.00 0.00 51.96 54.00 1ghk s ALA 51 Cb 0.31 -1.80 0.31 0.00 0.00 0.00 0.00 23.12 21.94 1ghk s ALA 51 CO 0.26 -0.10 0.98 -3.47 0.00 0.00 0.00 175.76 173.43 1ghk n ASP 52 N 1.43 -2.17 0.00 0.00 -0.08 -1.26 -4.57 116.55 109.90 1ghk n ASP 52 Ca -0.09 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 1ghk n ASP 52 Cb 0.57 -1.21 0.00 0.00 2.34 0.00 0.00 41.12 42.82 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 1.18 0.77 3.34 0.27 0.00 -1.26 -4.59 105.19 104.89 1ghk n GLY 53 Ca 0.03 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.83 3.23 1.04 1.61 1.01 -1.15 -2.97 120.40 121.33 1ghk s VAL 54 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1ghk s VAL 54 Cb 0.00 -2.41 0.21 0.00 0.00 0.00 0.00 36.38 34.18 1ghk s VAL 54 CO 0.00 0.48 1.08 -0.63 0.00 0.00 0.00 175.10 176.03 1ghk s ILE 55 N 0.92 2.09 -0.06 2.22 -1.09 -1.26 -1.27 121.20 122.76 1ghk s ILE 55 Ca -0.02 0.03 -0.08 0.00 -2.23 0.00 0.00 60.65 58.36 1ghk s ILE 55 Cb -0.15 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.62 1ghk s ILE 55 CO 0.00 -0.04 -0.15 0.00 -1.23 0.00 0.00 174.94 173.52 1ghk n ALA 56 N -4.56 1.34 -3.64 9.38 0.00 0.48 -4.05 120.51 119.45 1ghk n ALA 56 Ca 0.07 -0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.04 1ghk n ALA 56 Cb 0.53 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.02 0.38 0.09 0.00 -1.05 -1.26 -4.65 118.70 110.19 1ghk s GLU 57 Ca -0.12 0.52 -0.17 0.00 -0.15 0.00 0.00 54.97 55.04 1ghk s GLU 57 Cb 0.02 0.15 -0.07 0.00 -0.44 0.00 0.00 34.13 33.79 1ghk s GLU 57 CO 0.18 -0.06 0.55 0.42 0.95 0.00 0.00 175.26 177.31 1ghk s ILE 58 N 0.58 4.80 -0.11 1.83 -1.09 -1.26 -3.85 121.20 122.10 1ghk s ILE 58 Ca -0.01 1.07 -0.07 0.00 -2.23 0.00 0.00 60.65 59.42 1ghk s ILE 58 Cb -0.04 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1ghk s ILE 58 CO -0.10 0.47 -0.13 0.52 -1.23 0.00 0.00 174.94 174.46 1ghk n VAL 59 N 1.47 1.07 -3.14 2.92 0.31 -0.89 -4.94 118.33 115.13 1ghk n VAL 59 Ca -0.09 0.29 -0.29 0.00 -0.01 0.00 0.00 64.34 64.24 1ghk n VAL 59 Cb 0.51 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 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 -1.94 3.68 0.22 5.55 3.01 -1.26 -5.09 119.74 123.91 1ghk s LYS 60 Ca -0.11 0.17 0.05 0.00 -1.01 0.00 0.00 55.97 55.07 1ghk s LYS 60 Cb 0.02 -2.54 -0.03 0.00 -1.01 0.00 0.00 37.83 34.26 1ghk s LYS 60 CO 0.16 0.10 0.27 -0.80 0.51 0.00 0.00 175.35 175.60 1ghk s ASN 61 N -3.23 5.97 0.46 2.83 0.02 -1.26 -5.03 114.94 114.71 1ghk s ASN 61 Ca 0.47 -0.04 -0.25 0.00 -1.02 0.00 0.00 52.86 52.02 1ghk s ASN 61 Cb -0.10 -1.67 -0.08 0.00 0.02 0.00 0.00 41.25 39.41 1ghk s ASN 61 CO 0.31 -0.02 1.41 -1.83 0.02 0.00 0.00 177.10 176.99 1ghk s GLU 62 N -3.70 3.61 0.00 -0.60 4.04 -1.26 -2.41 118.70 118.38 1ghk s GLU 62 Ca 0.33 2.38 0.00 0.00 0.04 0.00 0.00 54.97 57.73 1ghk s GLU 62 Cb -0.09 -2.60 0.00 0.00 0.02 0.00 0.00 34.13 31.46 1ghk s GLU 62 CO 0.27 -0.86 0.00 0.41 -1.84 0.00 0.00 175.26 173.24 1ghk n GLY 63 N 0.60 0.33 4.01 -3.83 0.00 -1.23 -4.95 105.19 100.13 1ghk n GLY 63 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.12 5.59 0.01 1.61 -1.08 -1.01 -4.90 116.67 114.77 1ghk s ASP 64 Ca 0.00 -0.47 -0.01 0.00 -0.52 0.00 0.00 52.55 51.55 1ghk s ASP 64 Cb 0.00 -0.56 -0.04 0.00 -1.46 0.00 0.00 42.92 40.86 1ghk s ASP 64 CO 0.00 -0.82 0.15 -0.89 0.52 0.00 0.00 175.17 174.13 1ghk s THR 65 N -2.39 5.18 0.15 1.71 2.01 -1.26 -1.78 115.64 119.26 1ghk s THR 65 Ca 0.56 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1ghk s THR 65 Cb -0.09 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1ghk s THR 65 CO 0.33 0.28 -0.08 0.68 -0.69 0.00 0.00 174.62 175.15 1ghk s VAL 66 N -1.33 1.05 0.15 3.82 -7.23 -0.81 -4.92 120.40 111.13 1ghk s VAL 66 Ca 0.28 -2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.27 1ghk s VAL 66 Cb -0.12 -1.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.85 1ghk s VAL 66 CO 0.19 -0.70 0.55 -0.76 -0.31 0.00 0.00 175.10 174.07 1ghk s LEU 67 N -3.17 4.33 -0.32 1.32 1.43 -1.26 -2.48 118.68 118.54 1ghk s LEU 67 Ca 0.18 1.06 -0.38 0.00 -1.03 0.00 0.00 54.13 53.96 1ghk s LEU 67 Cb 0.04 -3.29 -0.14 0.00 0.03 0.00 0.00 46.19 42.83 1ghk s LEU 67 CO 0.01 0.09 2.01 -0.24 0.23 0.00 0.00 176.35 178.45 1ghk n SER 68 N 0.74 2.21 0.00 2.29 2.88 -1.26 0.13 113.62 120.61 1ghk n SER 68 Ca -0.05 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1ghk n SER 68 Cb 0.52 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 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 5.64 1.00 3.73 0.46 0.00 -1.17 -4.97 105.19 109.89 1ghk n GLY 69 Ca 0.36 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.87 4.50 -0.19 1.61 2.56 0.12 -4.68 118.70 121.76 1ghk s GLU 70 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 54.97 55.79 1ghk s GLU 70 Cb 0.00 -3.42 -0.04 0.00 2.00 0.00 0.00 34.13 32.67 1ghk s GLU 70 CO 0.00 0.12 1.81 -1.17 -0.56 0.00 0.00 175.26 175.47 1ghk s LEU 71 N 0.49 3.85 0.01 2.70 0.20 -1.26 -1.60 118.68 123.07 1ghk s LEU 71 Ca 0.42 1.81 0.21 0.00 0.69 0.00 0.00 54.13 57.26 1ghk s LEU 71 Cb -0.20 -3.53 -0.23 0.00 -0.43 0.00 0.00 46.19 41.81 1ghk s LEU 71 CO 0.23 -1.41 0.59 0.18 -0.29 0.00 0.00 176.35 175.64 1ghk n LEU 72 N 9.14 0.29 0.00 -0.68 4.77 -0.58 -4.51 117.00 125.43 1ghk n LEU 72 Ca 0.22 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1ghk n LEU 72 Cb 0.45 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ghk n LEU 72 CO 0.66 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1ghk n GLY 73 N 1.33 0.83 3.16 -0.72 0.00 -1.07 -2.10 105.19 106.62 1ghk n GLY 73 Ca -0.08 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 2.09 0.24 1.61 -0.14 -1.25 -0.95 119.74 119.34 1ghk s LYS 74 Ca 0.00 -0.68 -0.07 0.00 -1.36 0.00 0.00 55.97 53.86 1ghk s LYS 74 Cb 0.00 -1.75 -0.06 0.00 -1.68 0.00 0.00 37.83 34.34 1ghk s LYS 74 CO 0.00 0.24 0.52 -1.17 -0.76 0.00 0.00 175.35 174.18 1ghk s LEU 75 N 0.11 4.14 0.00 3.17 2.96 -0.64 -0.39 118.68 128.03 1ghk s LEU 75 Ca -0.07 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1ghk s LEU 75 Cb -0.13 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1ghk s LEU 75 CO 0.04 -0.10 0.00 1.07 -1.32 0.00 0.00 176.35 176.03 1ghk n THR 76 N -0.45 0.00 -1.38 3.68 5.66 -0.39 -3.37 114.28 118.03 1ghk n THR 76 Ca -0.01 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.71 1ghk n THR 76 Cb 0.53 -0.59 0.22 0.00 -1.55 0.00 0.00 70.33 68.94 1ghk n THR 76 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ghk n GLU 77 N 0.00 -2.27 0.10 1.09 -0.58 -1.26 0.13 120.64 117.84 1ghk n GLU 77 Ca 0.00 -1.77 -0.19 0.00 -0.42 0.00 0.00 57.16 54.78 1ghk n GLU 77 Cb 0.00 -1.44 -0.12 0.00 -0.57 0.00 0.00 31.44 29.31 1ghk n GLU 77 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1ghk h GLY 78 N -2.20 0.53 0.00 0.62 0.00 -1.94 -3.04 103.07 97.04 1ghk h GLY 78 Ca -0.40 -1.16 0.00 0.00 0.00 0.00 0.00 47.33 45.77 1ghk h GLY 78 CO 0.27 1.02 0.00 0.61 0.00 0.00 0.00 176.54 178.44