#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 4.29 -0.02 0.00 1.01 -1.11 -4.91 121.20 120.46 1ghk s ILE 2 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 1ghk s ILE 2 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1ghk s ILE 2 CO 0.00 -0.44 1.16 -0.62 0.00 0.00 0.00 174.94 175.04 1ghk s ASP 3 N 1.98 7.11 -0.21 3.58 -1.08 -1.26 -1.76 116.67 125.02 1ghk s ASP 3 Ca 0.03 1.83 -0.08 0.00 -0.52 0.00 0.00 52.55 53.81 1ghk s ASP 3 Cb -0.22 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.63 1ghk s ASP 3 CO 0.03 -0.51 0.09 -0.63 0.52 0.00 0.00 175.17 174.67 1ghk s ILE 4 N 1.75 4.81 0.13 4.11 1.01 -0.76 -4.98 121.20 127.27 1ghk s ILE 4 Ca 0.56 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 61.23 1ghk s ILE 4 Cb -0.25 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1ghk s ILE 4 CO 0.24 0.40 -0.09 -1.59 0.00 0.00 0.00 174.94 173.90 1ghk s LYS 5 N 0.86 0.96 0.79 2.79 -2.85 -1.26 -1.61 119.74 119.43 1ghk s LYS 5 Ca 0.05 -1.37 -0.11 0.00 -1.00 0.00 0.00 55.97 53.53 1ghk s LYS 5 Cb -0.13 -0.50 0.07 0.00 -2.06 0.00 0.00 37.83 35.21 1ghk s LYS 5 CO 0.03 0.05 1.09 0.00 0.10 0.00 0.00 175.35 176.62 1ghk s ALA 6 N -3.26 2.27 1.04 0.59 0.00 -0.78 -4.90 121.76 116.73 1ghk s ALA 6 Ca 0.14 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 1ghk s ALA 6 Cb 0.02 -3.11 0.24 0.00 0.00 0.00 0.00 23.12 20.27 1ghk s ALA 6 CO -0.01 -1.70 1.31 -1.25 0.00 0.00 0.00 175.76 174.11 1ghk s PRO 7 N -5.15 -0.02 -0.16 0.00 0.04 -1.26 -3.86 135.00 124.59 1ghk s PRO 7 Ca 0.61 -0.47 -0.19 0.00 0.04 0.00 0.00 61.00 60.99 1ghk s PRO 7 Cb -0.14 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1ghk s PRO 7 CO 0.54 -2.85 0.54 0.99 0.04 0.00 0.00 177.00 176.26 1ghk s THR 8 N -3.78 5.11 0.52 1.26 2.01 -1.26 -4.10 115.64 115.39 1ghk s THR 8 Ca 0.76 1.04 -0.13 0.00 0.31 0.00 0.00 61.69 63.66 1ghk s THR 8 Cb -0.03 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 1ghk s THR 8 CO 0.54 0.22 0.94 -0.36 -0.69 0.00 0.00 174.62 175.28 1ghk s PHE 9 N 1.26 3.50 0.92 4.92 0.40 -1.26 -5.06 117.98 122.66 1ghk s PHE 9 Ca 0.27 1.31 -0.14 0.00 -0.60 0.00 0.00 56.93 57.77 1ghk s PHE 9 Cb -0.16 -2.68 0.15 0.00 0.51 0.00 0.00 43.02 40.84 1ghk s PHE 9 CO 0.11 -0.39 1.21 -1.25 0.70 0.00 0.00 175.22 175.60 1ghk s PRO 10 N -4.32 1.08 0.06 0.24 0.04 -1.26 -4.98 135.00 125.86 1ghk s PRO 10 Ca 0.56 -0.04 -0.21 0.00 0.04 0.00 0.00 61.00 61.35 1ghk s PRO 10 Cb -0.10 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 1ghk s PRO 10 CO 0.37 -2.18 1.50 1.05 0.04 0.00 0.00 177.00 177.78 1ghk h GLU 11 N -1.48 0.23 -0.87 4.56 4.11 -2.03 -3.03 114.58 116.07 1ghk h GLU 11 Ca -0.46 -0.07 0.18 0.00 0.07 0.00 0.00 59.36 59.08 1ghk h GLU 11 Cb 1.30 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.36 1ghk h GLU 11 CO 0.53 0.45 -0.17 0.66 0.07 0.00 0.00 179.01 180.56 1ghk h SER 12 N -0.02 -0.73 -2.94 3.06 4.64 -2.05 -3.39 113.55 112.12 1ghk h SER 12 Ca 0.04 0.26 -0.46 0.00 -0.47 0.00 0.00 61.79 61.16 1ghk h SER 12 Cb 0.34 0.51 0.04 0.00 -0.31 0.00 0.00 62.40 62.99 1ghk h SER 12 CO 0.01 -0.28 0.00 -0.63 -0.87 0.00 0.00 176.83 175.05 1ghk s ILE 13 N -6.21 3.42 -0.01 0.95 1.01 -1.15 -5.01 121.20 114.20 1ghk s ILE 13 Ca -0.14 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1ghk s ILE 13 Cb 0.25 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.43 1ghk s ILE 13 CO 0.76 -0.24 0.76 0.00 0.00 0.00 0.00 174.94 176.23 1ghk n ALA 14 N -2.32 1.52 0.00 9.38 0.00 -1.26 -4.61 120.51 123.22 1ghk n ALA 14 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1ghk n ALA 14 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.26 0.00 -0.37 0.00 5.68 -1.26 -4.87 116.55 115.46 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 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.07 4.41 3.19 6.12 0.00 -1.01 -4.91 105.19 112.92 1ghk n GLY 16 Ca 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.63 -0.12 0.74 2.61 2.01 -1.02 -1.97 115.64 116.25 1ghk s THR 17 Ca 0.00 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1ghk s THR 17 Cb 0.00 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1ghk s THR 17 CO 0.00 0.05 0.47 0.52 -0.69 0.00 0.00 174.62 174.98 1ghk n VAL 18 N 4.46 1.56 0.00 3.82 0.31 -0.85 -1.02 118.33 126.59 1ghk n VAL 18 Ca -0.21 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1ghk n VAL 18 Cb 0.54 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 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 -2.45 0.00 -3.64 3.52 0.00 -0.66 -4.12 120.51 113.15 1ghk n ALA 19 Ca 0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1ghk n ALA 19 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.32 -0.00 -1.07 0.00 2.01 -1.25 -4.44 115.64 110.58 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 -0.99 0.15 0.00 0.01 0.00 0.00 72.50 71.67 1ghk s THR 20 CO 0.00 0.00 1.28 0.26 -0.69 0.00 0.00 174.62 175.47 1ghk s TRP 21 N 1.62 3.33 0.12 4.92 0.52 -1.26 -2.76 118.94 125.43 1ghk s TRP 21 Ca -0.10 -1.79 -0.27 0.00 0.02 0.00 0.00 56.10 53.96 1ghk s TRP 21 Cb -0.05 -4.29 -0.08 0.00 -1.15 0.00 0.00 33.47 27.90 1ghk s TRP 21 CO -0.20 -1.43 1.46 0.45 0.02 0.00 0.00 176.95 177.25 1ghk h HIS 22 N 7.95 -1.51 -3.99 -1.98 3.86 -1.95 -3.41 115.15 114.12 1ghk h HIS 22 Ca 0.24 0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 1ghk h HIS 22 Cb 0.95 0.73 0.01 0.00 1.06 0.00 0.00 27.41 30.16 1ghk h HIS 22 CO 1.13 -0.37 0.01 1.63 0.86 0.00 0.00 177.93 181.19 1ghk n LYS 23 N -4.92 0.60 -4.31 2.45 4.76 -1.26 -5.13 118.16 110.35 1ghk n LYS 23 Ca -0.01 -0.62 -0.17 0.00 -2.87 0.00 0.00 58.31 54.65 1ghk n LYS 23 Cb 0.26 -0.12 -0.10 0.00 -1.84 0.00 0.00 35.03 33.23 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 -2.85 1.28 -0.54 1.97 -0.14 -1.26 -5.04 119.74 113.15 1ghk s LYS 24 Ca 0.14 -1.62 -0.28 0.00 -1.36 0.00 0.00 55.97 52.85 1ghk s LYS 24 Cb -0.01 -0.66 0.02 0.00 -1.68 0.00 0.00 37.83 35.50 1ghk s LYS 24 CO 0.09 -0.03 1.33 -1.25 -0.76 0.00 0.00 175.35 174.73 1ghk s PRO 25 N -3.82 3.43 0.00 -1.68 0.04 -1.26 -3.31 135.00 128.40 1ghk s PRO 25 Ca 0.25 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1ghk s PRO 25 Cb 0.04 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1ghk s PRO 25 CO 0.07 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.74 1ghk n GLY 26 N 5.15 0.63 0.94 0.56 0.00 -1.26 -4.80 105.19 106.41 1ghk n GLY 26 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1ghk n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ghk n GLU 27 N 0.00 0.85 -4.05 1.61 0.28 -1.21 -4.89 120.64 113.23 1ghk n GLU 27 Ca 0.00 -0.74 -0.30 0.00 -0.16 0.00 0.00 57.16 55.95 1ghk n GLU 27 Cb 0.00 -0.07 -0.07 0.00 1.43 0.00 0.00 31.44 32.73 1ghk n GLU 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ghk s ALA 28 N -2.25 3.55 0.04 -1.84 0.00 -1.26 -3.93 121.76 116.06 1ghk s ALA 28 Ca 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1ghk s ALA 28 Cb -0.01 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 1ghk s ALA 28 CO 0.09 0.75 0.02 1.33 0.00 0.00 0.00 175.76 177.95 1ghk n VAL 29 N 0.46 0.00 -3.71 0.00 0.24 -1.26 -5.07 118.33 109.00 1ghk n VAL 29 Ca -0.09 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 1ghk n VAL 29 Cb 0.52 0.09 -0.11 0.00 -1.47 0.00 0.00 33.84 32.86 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 -2.15 0.34 0.33 7.34 1.02 -1.26 -4.40 119.74 120.96 1ghk s LYS 30 Ca 0.02 0.69 -0.24 0.00 0.02 0.00 0.00 55.97 56.45 1ghk s LYS 30 Cb 0.00 -0.03 -0.15 0.00 -0.52 0.00 0.00 37.83 37.13 1ghk s LYS 30 CO 0.02 -0.15 0.45 -2.13 -0.92 0.00 0.00 175.35 172.62 1ghk n ARG 31 N 4.13 0.30 -2.72 1.68 0.63 -1.26 -2.22 116.66 117.20 1ghk n ARG 31 Ca -0.23 0.11 -0.07 0.00 -0.92 0.00 0.00 57.85 56.74 1ghk n ARG 31 Cb 0.55 -1.23 0.02 0.00 0.45 0.00 0.00 32.46 32.25 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 1.81 -3.22 -3.72 6.15 2.03 -1.24 -4.97 116.55 113.40 1ghk n ASP 32 Ca 0.13 -0.14 -0.19 0.00 0.52 0.00 0.00 54.79 55.11 1ghk n ASP 32 Cb 0.34 -1.89 -0.17 0.00 -0.72 0.00 0.00 41.12 38.67 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 -5.22 0.09 0.50 -0.67 2.56 -0.94 -5.01 118.70 110.00 1ghk s GLU 33 Ca 0.15 0.27 -0.19 0.00 0.00 0.00 0.00 54.97 55.20 1ghk s GLU 33 Cb -0.07 -0.54 -0.13 0.00 2.00 0.00 0.00 34.13 35.39 1ghk s GLU 33 CO 0.19 -0.28 0.14 -0.11 -0.56 0.00 0.00 175.26 174.64 1ghk n LEU 34 N 4.96 -2.03 0.00 2.70 7.94 -1.26 -3.07 117.00 126.24 1ghk n LEU 34 Ca -0.10 0.73 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 1ghk n LEU 34 Cb 0.50 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.49 1ghk n LEU 34 CO 0.11 -4.06 -0.18 -0.38 -1.11 0.00 0.00 177.39 171.76 1ghk n ILE 35 N -1.42 0.00 -3.56 1.96 2.08 0.16 -4.77 119.36 113.81 1ghk n ILE 35 Ca 0.10 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.25 1ghk n ILE 35 Cb 0.45 -0.38 -0.06 0.00 -0.75 0.00 0.00 39.64 38.90 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 -1.55 0.00 0.17 1.39 0.11 -0.99 -3.76 120.40 115.77 1ghk s VAL 36 Ca 0.00 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1ghk s VAL 36 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1ghk s VAL 36 CO 0.00 0.00 0.09 -1.81 -3.33 0.00 0.00 175.10 170.05 1ghk s ASP 37 N -0.79 5.28 0.09 3.54 1.01 -1.11 -0.12 116.67 124.57 1ghk s ASP 37 Ca -0.06 -0.21 0.09 0.00 0.71 0.00 0.00 52.55 53.07 1ghk s ASP 37 Cb -0.01 -1.31 -0.03 0.00 1.01 0.00 0.00 42.92 42.58 1ghk s ASP 37 CO 0.06 0.08 -0.23 -0.63 0.21 0.00 0.00 175.17 174.65 1ghk s ILE 38 N -1.74 1.93 -0.36 0.77 -1.09 -0.70 -1.66 121.20 118.35 1ghk s ILE 38 Ca 0.30 -1.51 -0.09 0.00 -2.23 0.00 0.00 60.65 57.12 1ghk s ILE 38 Cb -0.10 -1.71 0.04 0.00 -1.58 0.00 0.00 42.46 39.11 1ghk s ILE 38 CO 0.22 0.10 0.16 -0.70 -1.23 0.00 0.00 174.94 173.49 1ghk s GLU 39 N -1.70 2.70 0.00 2.79 2.12 -0.19 -1.36 118.70 123.06 1ghk s GLU 39 Ca 0.10 -1.16 0.00 0.00 0.36 0.00 0.00 54.97 54.27 1ghk s GLU 39 Cb -0.10 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1ghk s GLU 39 CO 0.04 -0.70 0.00 0.25 -0.54 0.00 0.00 175.26 174.31 1ghk n THR 40 N 4.90 0.00 0.00 -1.70 -2.24 -0.94 -2.43 114.28 111.87 1ghk n THR 40 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ghk n THR 40 Cb 0.45 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1ghk n THR 40 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ghk n ASP 41 N 0.00 0.00 -0.95 3.42 -0.08 -1.26 -4.23 116.55 113.45 1ghk n ASP 41 Ca 0.00 1.00 0.01 0.00 -1.51 0.00 0.00 54.79 54.28 1ghk n ASP 41 Cb 0.00 -0.50 -0.00 0.00 2.34 0.00 0.00 41.12 42.96 1ghk n ASP 41 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ghk n LYS 42 N -2.85 0.00 -4.03 -0.67 5.02 -1.26 -5.08 118.16 109.30 1ghk n LYS 42 Ca 0.00 -1.26 -0.18 0.00 -2.02 0.00 0.00 58.31 54.85 1ghk n LYS 42 Cb 0.00 -0.11 -0.16 0.00 -0.02 0.00 0.00 35.03 34.74 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 0.31 -0.45 -0.18 1.01 -1.26 -5.11 120.40 114.72 1ghk s VAL 43 Ca 0.13 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 1ghk s VAL 43 Cb 0.15 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1ghk s VAL 43 CO -0.07 0.17 0.69 -0.69 0.00 0.00 0.00 175.10 175.20 1ghk s VAL 44 N 0.88 4.77 0.69 2.92 1.01 -1.26 -2.22 120.40 127.20 1ghk s VAL 44 Ca -0.10 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1ghk s VAL 44 Cb -0.13 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.00 1ghk s VAL 44 CO -0.01 -0.67 1.09 -0.04 0.00 0.00 0.00 175.10 175.47 1ghk s MET 45 N 2.97 2.98 0.01 2.72 -1.94 -0.46 -4.82 119.30 120.75 1ghk s MET 45 Ca 0.24 0.51 0.02 0.00 -1.71 0.00 0.00 55.69 54.75 1ghk s MET 45 Cb -0.14 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 1ghk s MET 45 CO 0.19 -0.96 -0.00 -1.21 -0.01 0.00 0.00 175.02 173.03 1ghk s GLU 46 N -5.33 2.76 -0.35 2.03 2.02 -1.26 -1.73 118.70 116.84 1ghk s GLU 46 Ca 0.58 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.96 1ghk s GLU 46 Cb -0.11 -2.65 0.10 0.00 0.10 0.00 0.00 34.13 31.57 1ghk s GLU 46 CO 0.52 0.62 0.06 0.08 0.02 0.00 0.00 175.26 176.56 1ghk s VAL 47 N -1.10 2.45 0.28 2.63 1.01 0.83 -4.93 120.40 121.57 1ghk s VAL 47 Ca 0.20 -2.24 -0.06 0.00 0.00 0.00 0.00 61.98 59.89 1ghk s VAL 47 Cb -0.12 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 1ghk s VAL 47 CO 0.11 -0.57 0.56 -0.76 0.00 0.00 0.00 175.10 174.44 1ghk s LEU 48 N 0.96 4.07 0.26 3.92 1.02 -1.26 -0.66 118.68 126.98 1ghk s LEU 48 Ca 0.09 0.76 -0.30 0.00 0.02 0.00 0.00 54.13 54.70 1ghk s LEU 48 Cb -0.20 -3.57 -0.09 0.00 0.02 0.00 0.00 46.19 42.36 1ghk s LEU 48 CO -0.07 -0.18 1.11 0.00 0.02 0.00 0.00 176.35 177.24 1ghk s ALA 49 N -2.04 3.41 -1.53 4.21 0.00 -1.18 -4.86 121.76 119.76 1ghk s ALA 49 Ca 0.45 0.90 0.08 0.00 0.00 0.00 0.00 51.96 53.39 1ghk s ALA 49 Cb -0.11 -3.34 0.31 0.00 0.00 0.00 0.00 23.12 19.98 1ghk s ALA 49 CO 0.29 -0.20 1.16 0.39 0.00 0.00 0.00 175.76 177.40 1ghk n GLU 50 N 1.50 2.07 0.00 0.00 -0.58 -1.26 -3.64 120.64 118.73 1ghk n GLU 50 Ca 0.00 -1.22 0.00 0.00 -0.42 0.00 0.00 57.16 55.52 1ghk n GLU 50 Cb 0.45 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 0.37 0.00 -1.80 0.62 0.00 -1.26 -5.00 120.51 113.44 1ghk n ALA 51 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1ghk n ALA 51 Cb 0.41 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.97 1ghk n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ghk s ASP 52 N 0.00 4.05 0.00 0.00 2.15 -1.26 -4.48 116.67 117.13 1ghk s ASP 52 Ca 0.00 0.77 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1ghk s ASP 52 Cb 0.00 -1.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.39 1ghk s ASP 52 CO 0.00 -2.19 0.00 0.61 -0.17 0.00 0.00 175.17 173.42 1ghk n GLY 53 N -3.06 0.01 2.81 2.66 0.00 -1.26 -4.85 105.19 101.50 1ghk n GLY 53 Ca 0.08 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.08 0.34 0.90 1.61 1.01 -1.26 -4.00 120.40 115.92 1ghk s VAL 54 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1ghk s VAL 54 Cb 0.00 -0.45 0.13 0.00 0.00 0.00 0.00 36.38 36.07 1ghk s VAL 54 CO 0.00 0.21 1.11 -0.63 0.00 0.00 0.00 175.10 175.79 1ghk s ILE 55 N 1.40 2.51 -0.04 2.22 -1.09 -1.25 -1.38 121.20 123.57 1ghk s ILE 55 Ca -0.04 0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.50 1ghk s ILE 55 Cb -0.13 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.34 1ghk s ILE 55 CO -0.03 -0.22 -0.09 0.00 -1.23 0.00 0.00 174.94 173.38 1ghk n ALA 56 N -4.06 0.74 -3.64 9.38 0.00 -0.20 -4.16 120.51 118.59 1ghk n ALA 56 Ca 0.09 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1ghk n ALA 56 Cb 0.53 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.52 0.43 -0.12 0.00 2.12 -1.26 -4.59 118.70 113.76 1ghk s GLU 57 Ca -0.07 0.49 -0.16 0.00 0.36 0.00 0.00 54.97 55.59 1ghk s GLU 57 Cb 0.01 0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 1ghk s GLU 57 CO 0.11 -0.06 0.39 0.42 -0.54 0.00 0.00 175.26 175.58 1ghk s ILE 58 N 0.12 5.22 -0.10 -3.70 -1.09 -1.26 -3.68 121.20 116.70 1ghk s ILE 58 Ca 0.04 0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 59.19 1ghk s ILE 58 Cb -0.05 -3.72 -0.26 0.00 -1.58 0.00 0.00 42.46 36.85 1ghk s ILE 58 CO -0.07 0.39 0.43 0.58 -1.23 0.00 0.00 174.94 175.04 1ghk h VAL 59 N 4.55 0.68 -3.49 2.92 2.07 -1.61 -3.45 116.25 117.92 1ghk h VAL 59 Ca -0.43 -2.41 -0.60 0.00 0.82 0.00 0.00 66.70 64.08 1ghk h VAL 59 Cb 1.18 2.51 -0.12 0.00 -1.52 0.00 0.00 31.29 33.34 1ghk h VAL 59 CO 0.73 0.84 -0.22 -0.54 0.02 0.00 0.00 177.57 178.40 1ghk s LYS 60 N -2.57 4.16 0.74 1.57 3.01 -1.26 -5.07 119.74 120.32 1ghk s LYS 60 Ca -0.19 0.17 -0.03 0.00 -1.01 0.00 0.00 55.97 54.90 1ghk s LYS 60 Cb 0.07 -3.54 0.12 0.00 -1.01 0.00 0.00 37.83 33.47 1ghk s LYS 60 CO 0.78 -0.03 1.02 -0.80 0.51 0.00 0.00 175.35 176.83 1ghk s ASN 61 N 1.05 4.30 0.56 2.83 0.01 -1.26 -5.03 114.94 117.40 1ghk s ASN 61 Ca 0.18 -0.16 -0.17 0.00 -0.71 0.00 0.00 52.86 52.01 1ghk s ASN 61 Cb -0.15 -0.25 -0.05 0.00 0.41 0.00 0.00 41.25 41.21 1ghk s ASN 61 CO 0.08 -1.89 1.05 -1.61 -1.51 0.00 0.00 177.10 173.21 1ghk s GLU 62 N -5.22 3.51 -0.80 -0.60 2.02 -1.26 -3.05 118.70 113.29 1ghk s GLU 62 Ca 0.66 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.88 1ghk s GLU 62 Cb -0.06 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1ghk s GLU 62 CO 0.45 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1ghk n GLY 63 N -0.82 0.85 3.93 -1.39 0.00 -1.26 -4.97 105.19 101.52 1ghk n GLY 63 Ca 0.09 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.43 5.21 -0.13 1.61 -1.08 -1.17 -4.95 116.67 113.73 1ghk s ASP 64 Ca 0.00 -0.68 -0.07 0.00 -0.52 0.00 0.00 52.55 51.28 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 -0.75 0.13 -0.89 0.52 0.00 0.00 175.17 174.18 1ghk s THR 65 N -2.46 5.42 0.45 1.71 2.01 -1.26 -2.02 115.64 119.49 1ghk s THR 65 Ca 0.50 0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.74 1ghk s THR 65 Cb -0.05 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1ghk s THR 65 CO 0.30 0.59 0.14 0.68 -0.69 0.00 0.00 174.62 175.64 1ghk s VAL 66 N -0.79 1.93 0.15 3.82 -7.23 -0.83 -4.89 120.40 112.57 1ghk s VAL 66 Ca 0.14 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 1ghk s VAL 66 Cb -0.12 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 1ghk s VAL 66 CO 0.03 0.00 0.09 0.18 -0.31 0.00 0.00 175.10 175.09 1ghk n LEU 67 N -1.26 0.00 -4.77 1.32 4.77 -1.26 -2.40 117.00 113.40 1ghk n LEU 67 Ca -0.05 -1.29 -0.36 0.00 -0.03 0.00 0.00 56.01 54.28 1ghk n LEU 67 Cb 0.65 0.57 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 1ghk n LEU 67 CO 0.44 -0.21 0.80 -0.44 -1.33 0.00 0.00 177.39 176.66 1ghk s SER 68 N -1.98 5.72 -0.87 -1.43 0.01 -1.26 -2.59 113.70 111.29 1ghk s SER 68 Ca 0.13 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.63 1ghk s SER 68 Cb 0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1ghk s SER 68 CO 0.09 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1ghk n GLY 69 N 0.27 -0.49 3.62 3.44 0.00 -1.25 -4.86 105.19 105.92 1ghk n GLY 69 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.01 3.94 -0.08 1.61 2.56 -1.07 -4.76 118.70 115.88 1ghk s GLU 70 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 54.97 55.53 1ghk s GLU 70 Cb 0.00 -3.80 -0.05 0.00 2.00 0.00 0.00 34.13 32.28 1ghk s GLU 70 CO 0.00 -1.05 1.71 -1.17 -0.56 0.00 0.00 175.26 174.19 1ghk s LEU 71 N 3.87 4.22 0.04 2.70 2.96 -1.26 -1.86 118.68 129.34 1ghk s LEU 71 Ca 0.45 2.17 0.13 0.00 -0.22 0.00 0.00 54.13 56.66 1ghk s LEU 71 Cb -0.11 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.88 1ghk s LEU 71 CO 0.21 -1.04 0.86 -0.07 -1.32 0.00 0.00 176.35 174.98 1ghk h LEU 72 N 10.74 0.00 0.00 -0.68 3.38 -1.65 -3.39 115.31 123.72 1ghk h LEU 72 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1ghk h LEU 72 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ghk h LEU 72 CO 0.96 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.93 1ghk n GLY 73 N 1.45 0.46 3.07 0.83 0.00 -1.22 -2.00 105.19 107.78 1ghk n GLY 73 Ca -0.11 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 1.51 0.16 1.61 1.02 -1.24 -1.83 119.74 118.98 1ghk s LYS 74 Ca 0.00 -0.48 -0.11 0.00 0.02 0.00 0.00 55.97 55.40 1ghk s LYS 74 Cb 0.00 -1.32 -0.07 0.00 -0.52 0.00 0.00 37.83 35.92 1ghk s LYS 74 CO 0.00 0.16 0.51 -1.17 -0.92 0.00 0.00 175.35 173.93 1ghk s LEU 75 N 0.21 4.27 0.43 3.17 0.20 -0.72 -1.03 118.68 125.21 1ghk s LEU 75 Ca -0.06 0.93 0.08 0.00 0.69 0.00 0.00 54.13 55.78 1ghk s LEU 75 Cb -0.11 -3.37 0.01 0.00 -0.43 0.00 0.00 46.19 42.29 1ghk s LEU 75 CO 0.02 0.05 0.57 -0.89 -0.29 0.00 0.00 176.35 175.81 1ghk s THR 76 N -1.60 2.90 0.00 3.68 2.01 -0.48 -2.74 115.64 119.41 1ghk s THR 76 Ca 0.41 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1ghk s THR 76 Cb -0.13 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1ghk s THR 76 CO 0.20 0.00 0.85 -0.62 -0.69 0.00 0.00 174.62 174.36 1ghk n GLU 77 N -1.86 0.00 0.00 4.92 -0.58 -1.26 -4.21 120.64 117.65 1ghk n GLU 77 Ca 0.08 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1ghk n GLU 77 Cb 0.59 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 1ghk n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ghk n GLY 78 N -0.86 3.95 0.00 0.62 0.00 -1.26 -4.52 105.19 103.12 1ghk n GLY 78 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93