#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 -0.49 0.84 0.00 -5.25 -1.26 -5.02 121.20 110.02 1ghk s ILE 2 Ca 0.00 0.23 -0.12 0.00 -0.99 0.00 0.00 60.65 59.77 1ghk s ILE 2 Cb 0.00 -0.53 0.10 0.00 2.95 0.00 0.00 42.46 44.97 1ghk s ILE 2 CO 0.00 0.10 1.11 -0.62 -1.79 0.00 0.00 174.94 173.73 1ghk s ASP 3 N 2.45 4.10 -0.13 4.36 2.15 -1.26 -2.07 116.67 126.27 1ghk s ASP 3 Ca -0.00 1.22 -0.01 0.00 0.43 0.00 0.00 52.55 54.19 1ghk s ASP 3 Cb -0.12 -1.90 0.03 0.00 -0.30 0.00 0.00 42.92 40.63 1ghk s ASP 3 CO -0.10 -2.21 -0.06 -0.63 -0.17 0.00 0.00 175.17 172.00 1ghk s ILE 4 N -3.17 0.99 0.16 4.11 1.01 -0.27 -4.85 121.20 119.17 1ghk s ILE 4 Ca 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1ghk s ILE 4 Cb -0.15 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1ghk s ILE 4 CO 0.54 0.28 0.03 -1.59 0.00 0.00 0.00 174.94 174.20 1ghk s LYS 5 N 1.71 1.03 0.53 2.79 -2.85 -1.26 -1.78 119.74 119.90 1ghk s LYS 5 Ca 0.04 -1.50 -0.19 0.00 -1.00 0.00 0.00 55.97 53.32 1ghk s LYS 5 Cb -0.13 -0.03 -0.07 0.00 -2.06 0.00 0.00 37.83 35.54 1ghk s LYS 5 CO -0.08 -0.20 1.08 0.00 0.10 0.00 0.00 175.35 176.26 1ghk s ALA 6 N -3.84 2.77 0.78 0.59 0.00 -0.77 -4.93 121.76 116.35 1ghk s ALA 6 Ca 0.24 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 1ghk s ALA 6 Cb 0.07 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.95 1ghk s ALA 6 CO 0.03 -0.59 1.12 -1.25 0.00 0.00 0.00 175.76 175.07 1ghk s PRO 7 N -3.36 2.26 -0.82 0.00 0.04 -1.26 -3.85 135.00 128.02 1ghk s PRO 7 Ca 0.69 0.41 -0.25 0.00 0.04 0.00 0.00 61.00 61.89 1ghk s PRO 7 Cb -0.20 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ghk s PRO 7 CO 0.25 -1.44 1.62 0.99 0.04 0.00 0.00 177.00 178.46 1ghk s THR 8 N -3.35 3.62 0.61 1.26 2.01 -1.26 -4.52 115.64 114.02 1ghk s THR 8 Ca 0.60 -0.14 -0.18 0.00 0.31 0.00 0.00 61.69 62.29 1ghk s THR 8 Cb -0.12 -4.50 -0.07 0.00 0.01 0.00 0.00 72.50 67.81 1ghk s THR 8 CO 0.52 -1.43 0.56 0.49 -0.69 0.00 0.00 174.62 174.06 1ghk n PHE 9 N 11.17 -0.61 -1.78 4.92 3.72 -1.26 -4.97 117.46 128.65 1ghk n PHE 9 Ca 0.24 0.41 -0.30 0.00 -0.05 0.00 0.00 57.45 57.76 1ghk n PHE 9 Cb 0.50 -1.96 0.19 0.00 -0.94 0.00 0.00 39.48 37.27 1ghk n PHE 9 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ghk s PRO 10 N -2.32 0.41 0.02 -1.08 0.04 -1.26 -4.97 135.00 125.85 1ghk s PRO 10 Ca 0.68 -0.31 -0.26 0.00 0.04 0.00 0.00 61.00 61.16 1ghk s PRO 10 Cb -0.42 -1.81 -0.17 0.00 0.04 0.00 0.00 34.50 32.15 1ghk s PRO 10 CO 0.55 -2.58 1.31 1.49 0.04 0.00 0.00 177.00 177.80 1ghk h GLU 11 N -1.77 -0.37 -0.91 4.56 4.81 -2.03 -3.04 114.58 115.84 1ghk h GLU 11 Ca -0.45 0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.05 1ghk h GLU 11 Cb 1.25 0.09 -0.16 0.00 0.63 0.00 0.00 28.75 30.56 1ghk h GLU 11 CO 0.40 -0.07 0.06 1.03 -0.73 0.00 0.00 179.01 179.70 1ghk h SER 12 N -0.69 -0.35 -3.15 1.04 0.87 -2.03 -3.38 113.55 105.86 1ghk h SER 12 Ca -0.04 0.24 -0.55 0.00 -1.23 0.00 0.00 61.79 60.21 1ghk h SER 12 Cb 0.48 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1ghk h SER 12 CO 0.07 -0.27 -0.26 -0.63 -0.53 0.00 0.00 176.83 175.21 1ghk s ILE 13 N -6.02 5.11 0.00 2.23 -1.09 -1.15 -4.99 121.20 115.29 1ghk s ILE 13 Ca -0.13 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 1ghk s ILE 13 Cb 0.27 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1ghk s ILE 13 CO 0.77 -0.08 0.60 0.00 -1.23 0.00 0.00 174.94 175.00 1ghk n ALA 14 N -0.27 2.22 0.00 9.38 0.00 -1.26 -4.32 120.51 126.26 1ghk n ALA 14 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1ghk n ALA 14 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.00 5.68 -1.26 -4.83 116.55 116.01 1ghk n ASP 15 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ghk n ASP 15 Cb 0.08 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 0.00 2.96 3.50 6.12 0.00 -1.20 -4.68 105.19 111.90 1ghk n GLY 16 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.86 0.00 0.73 2.61 2.01 -0.75 -2.41 115.64 114.96 1ghk s THR 17 Ca 0.00 -1.55 -0.07 0.00 0.31 0.00 0.00 61.69 60.39 1ghk s THR 17 Cb 0.00 -2.30 0.08 0.00 0.01 0.00 0.00 72.50 70.29 1ghk s THR 17 CO 0.00 0.00 1.04 -0.69 -0.69 0.00 0.00 174.62 174.28 1ghk s VAL 18 N -3.97 2.24 0.00 3.82 1.01 -1.00 -1.61 120.40 120.90 1ghk s VAL 18 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1ghk s VAL 18 Cb 0.01 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1ghk s VAL 18 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.21 1ghk n ALA 19 N -2.98 2.44 -3.64 5.51 0.00 -0.21 -4.25 120.51 117.37 1ghk n ALA 19 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 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 -0.58 0.00 -1.15 0.00 2.01 -1.23 -4.66 115.64 110.03 1ghk s THR 20 Ca 0.00 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 1ghk s THR 20 Cb 0.00 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.67 1ghk s THR 20 CO 0.00 0.00 1.36 0.26 -0.69 0.00 0.00 174.62 175.55 1ghk s TRP 21 N 1.34 3.44 0.18 4.92 0.52 -1.26 -2.59 118.94 125.48 1ghk s TRP 21 Ca -0.08 -1.99 -0.26 0.00 0.02 0.00 0.00 56.10 53.79 1ghk s TRP 21 Cb -0.05 -4.30 0.05 0.00 -1.15 0.00 0.00 33.47 28.02 1ghk s TRP 21 CO -0.15 -1.41 1.56 0.45 0.02 0.00 0.00 176.95 177.42 1ghk h HIS 22 N 7.49 -1.43 -1.93 -1.98 3.86 -1.95 -3.40 115.15 115.81 1ghk h HIS 22 Ca 0.28 0.10 -0.47 0.00 -1.16 0.00 0.00 60.37 59.13 1ghk h HIS 22 Cb 0.90 0.73 -0.02 0.00 1.06 0.00 0.00 27.41 30.09 1ghk h HIS 22 CO 1.11 -0.41 -0.41 0.15 0.86 0.00 0.00 177.93 179.23 1ghk s LYS 23 N -5.76 3.06 0.35 2.45 3.01 -1.25 -5.12 119.74 116.47 1ghk s LYS 23 Ca -0.14 -1.04 0.08 0.00 -1.01 0.00 0.00 55.97 53.87 1ghk s LYS 23 Cb 0.14 -2.71 -0.05 0.00 -1.01 0.00 0.00 37.83 34.19 1ghk s LYS 23 CO 0.66 0.18 0.08 0.15 0.51 0.00 0.00 175.35 176.93 1ghk s LYS 24 N -4.05 2.19 -0.63 1.68 1.02 -1.26 -4.98 119.74 113.70 1ghk s LYS 24 Ca 0.40 -1.71 -0.27 0.00 0.02 0.00 0.00 55.97 54.41 1ghk s LYS 24 Cb -0.08 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1ghk s LYS 24 CO 0.29 0.09 1.43 -1.25 -0.92 0.00 0.00 175.35 174.98 1ghk s PRO 25 N -3.78 3.16 0.00 -1.68 0.04 -1.26 -3.30 135.00 128.18 1ghk s PRO 25 Ca 0.37 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1ghk s PRO 25 Cb 0.00 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1ghk s PRO 25 CO 0.21 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.53 1ghk n GLY 26 N 5.36 0.50 0.86 0.56 0.00 -1.26 -4.79 105.19 106.43 1ghk n GLY 26 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.71 -3.46 1.61 -0.58 -1.21 -5.00 120.64 112.71 1ghk n GLU 27 Ca 0.00 -0.65 -0.22 0.00 -0.42 0.00 0.00 57.16 55.87 1ghk n GLU 27 Cb 0.00 -0.09 -0.01 0.00 -0.57 0.00 0.00 31.44 30.77 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 -2.47 3.88 0.04 0.62 0.00 -1.26 -4.32 121.76 118.25 1ghk s ALA 28 Ca 0.14 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1ghk s ALA 28 Cb -0.01 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 1ghk s ALA 28 CO 0.09 -0.03 -0.05 0.08 0.00 0.00 0.00 175.76 175.85 1ghk s VAL 29 N -2.25 0.33 -0.03 0.00 1.01 -0.80 -4.98 120.40 113.68 1ghk s VAL 29 Ca 0.41 -1.28 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1ghk s VAL 29 Cb -0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1ghk s VAL 29 CO 0.34 -0.62 -0.17 -0.75 0.00 0.00 0.00 175.10 173.90 1ghk s LYS 30 N -2.32 1.55 0.41 2.72 2.47 -1.26 -3.25 119.74 120.05 1ghk s LYS 30 Ca -0.06 -0.59 -0.22 0.00 -1.56 0.00 0.00 55.97 53.54 1ghk s LYS 30 Cb -0.04 -1.42 -0.14 0.00 -1.46 0.00 0.00 37.83 34.77 1ghk s LYS 30 CO -0.03 0.30 0.32 -2.13 0.16 0.00 0.00 175.35 173.97 1ghk n ARG 31 N 2.92 0.26 -3.07 4.03 0.63 -1.26 -1.94 116.66 118.22 1ghk n ARG 31 Ca -0.16 0.10 -0.15 0.00 -0.92 0.00 0.00 57.85 56.72 1ghk n ARG 31 Cb 0.54 -1.24 0.04 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 -4.64 -3.92 6.15 -0.08 -1.25 -4.92 116.55 109.70 1ghk n ASP 32 Ca 0.12 -0.30 -0.29 0.00 -1.51 0.00 0.00 54.79 52.82 1ghk n ASP 32 Cb 0.39 -3.30 -0.16 0.00 2.34 0.00 0.00 41.12 40.39 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 -5.68 1.62 1.00 -0.67 2.56 -0.82 -5.00 118.70 111.72 1ghk s GLU 33 Ca 0.32 -0.56 -0.18 0.00 0.00 0.00 0.00 54.97 54.55 1ghk s GLU 33 Cb -0.14 -2.05 -0.11 0.00 2.00 0.00 0.00 34.13 33.83 1ghk s GLU 33 CO 0.40 -0.40 -0.65 -0.11 -0.56 0.00 0.00 175.26 173.94 1ghk n LEU 34 N 4.84 -4.13 0.00 2.70 7.94 -1.26 -3.05 117.00 124.04 1ghk n LEU 34 Ca -0.13 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1ghk n LEU 34 Cb 0.48 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1ghk n LEU 34 CO 0.18 -4.77 -0.11 -0.38 -1.11 0.00 0.00 177.39 171.19 1ghk n ILE 35 N -3.02 0.00 -3.64 1.96 2.08 0.53 -4.70 119.36 112.58 1ghk n ILE 35 Ca -0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 1ghk n ILE 35 Cb 0.59 -0.61 -0.07 0.00 -0.75 0.00 0.00 39.64 38.81 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 -1.85 0.00 0.25 1.39 0.11 -1.01 -3.55 120.40 115.74 1ghk s VAL 36 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1ghk s VAL 36 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 1ghk s VAL 36 CO 0.00 0.00 0.58 -1.81 -3.33 0.00 0.00 175.10 170.54 1ghk s ASP 37 N 1.44 6.61 0.21 3.54 1.01 -1.07 -0.12 116.67 128.29 1ghk s ASP 37 Ca -0.08 0.94 0.11 0.00 0.71 0.00 0.00 52.55 54.23 1ghk s ASP 37 Cb -0.05 -2.23 -0.05 0.00 1.01 0.00 0.00 42.92 41.60 1ghk s ASP 37 CO -0.17 -0.12 -0.22 -0.63 0.21 0.00 0.00 175.17 174.25 1ghk s ILE 38 N -1.89 2.45 0.13 0.77 1.01 -0.86 -1.05 121.20 121.75 1ghk s ILE 38 Ca 0.48 -2.08 0.06 0.00 0.00 0.00 0.00 60.65 59.11 1ghk s ILE 38 Cb -0.11 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1ghk s ILE 38 CO 0.22 -0.18 -0.15 -1.83 0.00 0.00 0.00 174.94 173.01 1ghk s GLU 39 N -2.87 1.06 0.28 2.79 -1.05 -0.63 -1.81 118.70 116.47 1ghk s GLU 39 Ca 0.23 -1.26 0.02 0.00 -0.15 0.00 0.00 54.97 53.81 1ghk s GLU 39 Cb -0.07 -0.99 -0.03 0.00 -0.44 0.00 0.00 34.13 32.60 1ghk s GLU 39 CO 0.11 0.19 0.26 0.99 0.95 0.00 0.00 175.26 177.77 1ghk s THR 40 N -2.08 0.00 0.14 1.83 2.01 -0.35 -1.81 115.64 115.37 1ghk s THR 40 Ca 0.10 -1.92 -0.30 0.00 0.31 0.00 0.00 61.69 59.88 1ghk s THR 40 Cb -0.05 -2.50 -0.08 0.00 0.01 0.00 0.00 72.50 69.87 1ghk s THR 40 CO 0.04 0.00 1.51 -0.78 -0.69 0.00 0.00 174.62 174.69 1ghk h ASP 41 N 2.31 -1.89 -0.29 3.53 1.82 -1.97 -3.26 116.42 116.66 1ghk h ASP 41 Ca -0.29 0.27 -0.23 0.00 -0.39 0.00 0.00 57.03 56.39 1ghk h ASP 41 Cb 1.24 0.81 -0.39 0.00 0.68 0.00 0.00 39.33 41.67 1ghk h ASP 41 CO 0.42 -0.29 -1.06 0.29 -1.61 0.00 0.00 179.24 176.99 1ghk n LYS 42 N -5.15 1.25 -3.70 0.28 5.02 -1.26 -5.05 118.16 109.54 1ghk n LYS 42 Ca -0.01 -3.04 -0.12 0.00 -2.02 0.00 0.00 58.31 53.12 1ghk n LYS 42 Cb 0.28 -1.11 -0.13 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.58 -0.15 0.10 -0.18 1.01 -1.23 -5.15 120.40 112.22 1ghk s VAL 43 Ca 0.31 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1ghk s VAL 43 Cb 0.35 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 1ghk s VAL 43 CO -0.08 0.07 0.18 -0.69 0.00 0.00 0.00 175.10 174.58 1ghk s VAL 44 N 1.60 5.01 0.29 2.92 1.01 -1.26 -1.21 120.40 128.76 1ghk s VAL 44 Ca -0.07 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1ghk s VAL 44 Cb -0.10 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1ghk s VAL 44 CO -0.09 0.04 0.28 -0.04 0.00 0.00 0.00 175.10 175.29 1ghk s MET 45 N -2.75 1.63 0.01 2.72 -1.94 -0.75 -4.99 119.30 113.23 1ghk s MET 45 Ca 0.33 -1.84 -0.02 0.00 -1.71 0.00 0.00 55.69 52.44 1ghk s MET 45 Cb -0.12 0.34 -0.01 0.00 2.01 0.00 0.00 34.83 37.05 1ghk s MET 45 CO 0.26 -0.61 0.03 -1.83 -0.01 0.00 0.00 175.02 172.86 1ghk s GLU 46 N -3.59 0.36 -0.45 2.03 -1.05 -1.26 -2.03 118.70 112.71 1ghk s GLU 46 Ca 0.38 -0.52 -0.00 0.00 -0.15 0.00 0.00 54.97 54.67 1ghk s GLU 46 Cb 0.03 0.14 0.12 0.00 -0.44 0.00 0.00 34.13 33.98 1ghk s GLU 46 CO 0.22 -0.07 0.22 0.08 0.95 0.00 0.00 175.26 176.65 1ghk s VAL 47 N -1.38 3.03 0.19 1.83 1.01 0.83 -4.87 120.40 121.04 1ghk s VAL 47 Ca -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 61.98 59.34 1ghk s VAL 47 Cb -0.09 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1ghk s VAL 47 CO -0.00 -0.72 0.40 -0.22 0.00 0.00 0.00 175.10 174.56 1ghk s LEU 48 N 0.66 4.22 0.33 3.92 2.96 -1.26 -0.35 118.68 129.17 1ghk s LEU 48 Ca 0.12 0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 54.32 1ghk s LEU 48 Cb -0.22 -3.24 -0.09 0.00 0.50 0.00 0.00 46.19 43.13 1ghk s LEU 48 CO -0.04 -0.03 0.82 0.00 -1.32 0.00 0.00 176.35 175.78 1ghk s ALA 49 N -1.82 3.25 -0.60 5.97 0.00 -1.17 -4.86 121.76 122.52 1ghk s ALA 49 Ca 0.40 0.23 0.16 0.00 0.00 0.00 0.00 51.96 52.74 1ghk s ALA 49 Cb -0.11 -2.94 0.79 0.00 0.00 0.00 0.00 23.12 20.85 1ghk s ALA 49 CO 0.28 0.26 1.70 -1.91 0.00 0.00 0.00 175.76 176.09 1ghk n GLU 50 N -0.08 4.46 0.00 0.00 2.13 -1.26 -3.87 120.64 122.02 1ghk n GLU 50 Ca 0.03 -3.05 0.00 0.00 0.66 0.00 0.00 57.16 54.80 1ghk n GLU 50 Cb 0.52 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.10 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ghk n ALA 51 N 0.83 0.00 -0.88 4.31 0.00 -1.26 -4.94 120.51 118.57 1ghk n ALA 51 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1ghk n ALA 51 Cb 1.08 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.75 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 1.56 0.00 0.00 -1.08 -1.26 -4.41 116.67 111.48 1ghk s ASP 52 Ca 0.00 1.22 0.00 0.00 -0.52 0.00 0.00 52.55 53.25 1ghk s ASP 52 Cb 0.00 -1.90 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 1ghk s ASP 52 CO 0.00 -3.80 0.00 0.61 0.52 0.00 0.00 175.17 172.50 1ghk n GLY 53 N -0.22 0.15 2.82 2.66 0.00 -1.20 -4.85 105.19 104.56 1ghk n GLY 53 Ca 0.05 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.02 0.39 1.08 1.61 1.01 -1.26 -1.90 120.40 118.30 1ghk s VAL 54 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1ghk s VAL 54 Cb 0.00 -0.49 0.22 0.00 0.00 0.00 0.00 36.38 36.11 1ghk s VAL 54 CO 0.00 0.23 0.97 -0.38 0.00 0.00 0.00 175.10 175.92 1ghk n ILE 55 N 4.59 0.00 -0.02 2.22 5.41 -1.26 -1.46 119.36 128.84 1ghk n ILE 55 Ca -0.17 -0.27 -0.02 0.00 1.00 0.00 0.00 62.75 63.29 1ghk n ILE 55 Cb 0.50 -0.96 -0.01 0.00 -0.71 0.00 0.00 39.64 38.47 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 -4.65 0.86 -3.64 -1.39 0.00 -0.14 -4.00 120.51 107.56 1ghk n ALA 56 Ca 0.06 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1ghk n ALA 56 Cb 0.54 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 1ghk n ALA 56 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ghk s GLU 57 N -1.48 0.46 -0.02 0.00 0.41 -1.26 -4.53 118.70 112.28 1ghk s GLU 57 Ca -0.06 0.51 -0.14 0.00 -0.41 0.00 0.00 54.97 54.87 1ghk s GLU 57 Cb 0.01 0.22 -0.05 0.00 -1.78 0.00 0.00 34.13 32.53 1ghk s GLU 57 CO 0.09 -0.06 0.39 0.42 -0.49 0.00 0.00 175.26 175.61 1ghk s ILE 58 N 0.12 5.08 -0.11 -1.63 -1.09 -1.26 -3.86 121.20 118.46 1ghk s ILE 58 Ca 0.03 0.79 -0.06 0.00 -2.23 0.00 0.00 60.65 59.19 1ghk s ILE 58 Cb -0.05 -3.69 -0.26 0.00 -1.58 0.00 0.00 42.46 36.88 1ghk s ILE 58 CO -0.07 0.56 0.41 0.58 -1.23 0.00 0.00 174.94 175.19 1ghk h VAL 59 N 3.82 0.66 -2.35 2.92 2.07 -1.61 -3.47 116.25 118.28 1ghk h VAL 59 Ca -0.51 -2.37 -0.51 0.00 0.82 0.00 0.00 66.70 64.13 1ghk h VAL 59 Cb 1.22 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 33.48 1ghk h VAL 59 CO 0.63 0.88 -0.48 -1.59 0.02 0.00 0.00 177.57 177.02 1ghk s LYS 60 N -2.56 3.22 0.32 1.57 0.00 -1.26 -5.09 119.74 115.93 1ghk s LYS 60 Ca -0.21 -0.82 0.10 0.00 0.00 0.00 0.00 55.97 55.04 1ghk s LYS 60 Cb 0.07 -2.78 -0.05 0.00 0.00 0.00 0.00 37.83 35.06 1ghk s LYS 60 CO 0.78 0.45 -0.05 -0.80 0.00 0.00 0.00 175.35 175.73 1ghk s ASN 61 N -3.64 4.02 0.24 0.03 0.02 -1.26 -5.04 114.94 109.30 1ghk s ASN 61 Ca 0.33 -1.00 -0.31 0.00 -1.02 0.00 0.00 52.86 50.86 1ghk s ASN 61 Cb -0.09 -0.49 -0.13 0.00 0.02 0.00 0.00 41.25 40.56 1ghk s ASN 61 CO 0.27 -0.15 1.44 -0.62 0.02 0.00 0.00 177.10 178.06 1ghk n GLU 62 N -0.85 2.11 0.00 -0.60 4.71 -1.26 -1.50 120.64 123.25 1ghk n GLU 62 Ca -0.05 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 1ghk n GLU 62 Cb 0.62 -2.43 0.00 0.00 -1.01 0.00 0.00 31.44 28.62 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 2.25 0.13 3.97 0.62 0.00 -1.26 -5.04 105.19 105.86 1ghk n GLY 63 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.15 5.15 0.32 1.61 2.15 -0.56 -4.90 116.67 118.28 1ghk s ASP 64 Ca 0.00 0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.08 1ghk s ASP 64 Cb 0.00 -0.85 -0.01 0.00 -0.30 0.00 0.00 42.92 41.75 1ghk s ASP 64 CO 0.00 -1.25 0.44 0.28 -0.17 0.00 0.00 175.17 174.47 1ghk s THR 65 N -2.85 4.28 -0.05 1.71 -1.32 -1.26 -2.36 115.64 113.78 1ghk s THR 65 Ca 0.58 -1.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.07 1ghk s THR 65 Cb -0.10 -3.49 0.01 0.00 -1.51 0.00 0.00 72.50 67.42 1ghk s THR 65 CO 0.40 -0.19 -0.10 0.68 -2.21 0.00 0.00 174.62 173.20 1ghk s VAL 66 N -2.14 0.92 0.28 5.08 -7.23 -1.01 -4.86 120.40 111.43 1ghk s VAL 66 Ca 0.43 -0.37 0.06 0.00 -1.81 0.00 0.00 61.98 60.29 1ghk s VAL 66 Cb -0.09 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 1ghk s VAL 66 CO 0.30 0.30 0.36 -0.76 -0.31 0.00 0.00 175.10 174.99 1ghk s LEU 67 N 0.63 4.06 -0.22 1.32 1.02 -1.26 -3.25 118.68 120.99 1ghk s LEU 67 Ca -0.12 -0.12 -0.28 0.00 0.02 0.00 0.00 54.13 53.64 1ghk s LEU 67 Cb -0.14 -2.68 -0.05 0.00 0.02 0.00 0.00 46.19 43.34 1ghk s LEU 67 CO 0.02 -0.20 2.23 -0.24 0.02 0.00 0.00 176.35 178.18 1ghk n SER 68 N -1.44 3.24 0.00 2.29 2.88 -1.26 -0.95 113.62 118.38 1ghk n SER 68 Ca -0.05 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1ghk n SER 68 Cb 0.58 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 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 5.79 1.05 3.74 0.46 0.00 -1.25 -5.04 105.19 109.94 1ghk n GLY 69 Ca 0.30 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.08 4.53 -0.13 1.61 2.56 -0.13 -4.82 118.70 122.25 1ghk s GLU 70 Ca 0.00 1.14 -0.26 0.00 0.00 0.00 0.00 54.97 55.85 1ghk s GLU 70 Cb 0.00 -3.38 -0.02 0.00 2.00 0.00 0.00 34.13 32.73 1ghk s GLU 70 CO 0.00 0.23 0.87 -1.17 -0.56 0.00 0.00 175.26 174.63 1ghk s LEU 71 N 0.09 4.23 -0.07 2.70 2.96 -1.26 -1.85 118.68 125.48 1ghk s LEU 71 Ca 0.41 1.30 0.21 0.00 -0.22 0.00 0.00 54.13 55.83 1ghk s LEU 71 Cb -0.21 -3.32 -0.32 0.00 0.50 0.00 0.00 46.19 42.84 1ghk s LEU 71 CO 0.24 -0.36 0.39 0.18 -1.32 0.00 0.00 176.35 175.48 1ghk n LEU 72 N 4.89 0.00 0.00 -0.68 4.77 -0.74 -4.43 117.00 120.81 1ghk n LEU 72 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1ghk n LEU 72 Cb 0.49 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1ghk n LEU 72 CO 0.49 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1ghk n GLY 73 N 1.37 1.11 3.22 -0.72 0.00 -1.20 -1.98 105.19 106.99 1ghk n GLY 73 Ca -0.10 -1.22 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.98 0.97 0.18 1.61 -2.85 -1.25 -1.11 119.74 115.31 1ghk s LYS 74 Ca 0.00 -1.15 -0.02 0.00 -1.00 0.00 0.00 55.97 53.80 1ghk s LYS 74 Cb 0.00 -0.91 -0.05 0.00 -2.06 0.00 0.00 37.83 34.81 1ghk s LYS 74 CO 0.00 0.19 0.39 -1.17 0.10 0.00 0.00 175.35 174.86 1ghk s LEU 75 N -2.21 4.23 0.56 2.77 2.96 -0.88 -0.96 118.68 125.15 1ghk s LEU 75 Ca 0.06 0.47 0.04 0.00 -0.22 0.00 0.00 54.13 54.48 1ghk s LEU 75 Cb -0.07 -3.23 0.06 0.00 0.50 0.00 0.00 46.19 43.45 1ghk s LEU 75 CO 0.03 -0.02 0.78 -0.89 -1.32 0.00 0.00 176.35 174.93 1ghk s THR 76 N -1.81 2.54 0.37 3.68 2.01 -0.54 -4.17 115.64 117.73 1ghk s THR 76 Ca 0.39 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1ghk s THR 76 Cb -0.11 -2.77 0.09 0.00 0.01 0.00 0.00 72.50 69.72 1ghk s THR 76 CO 0.28 0.00 0.28 -0.62 -0.69 0.00 0.00 174.62 173.87 1ghk n GLU 77 N -2.33 -2.08 -0.00 4.92 1.02 -1.26 -3.41 120.64 117.50 1ghk n GLU 77 Ca 0.11 -0.46 -0.01 0.00 -0.02 0.00 0.00 57.16 56.78 1ghk n GLU 77 Cb 0.60 -0.48 -0.00 0.00 -0.02 0.00 0.00 31.44 31.53 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 -0.35 -0.01 0.00 0.62 0.00 -1.26 -4.26 105.19 99.92 1ghk n GLY 78 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93