#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 -0.31 0.47 0.00 1.09 -1.26 -5.00 121.20 116.19 1ghk s ILE 2 Ca 0.00 -1.20 -0.15 0.00 -1.10 0.00 0.00 60.65 58.20 1ghk s ILE 2 Cb 0.00 -0.68 -0.08 0.00 -1.06 0.00 0.00 42.46 40.65 1ghk s ILE 2 CO 0.00 -0.62 0.90 -0.62 -0.10 0.00 0.00 174.94 174.51 1ghk s ASP 3 N 1.20 6.61 -0.09 3.58 2.15 -1.26 -1.74 116.67 127.12 1ghk s ASP 3 Ca 0.20 1.42 -0.00 0.00 0.43 0.00 0.00 52.55 54.60 1ghk s ASP 3 Cb -0.12 -2.44 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1ghk s ASP 3 CO -0.05 -0.50 -0.07 -0.63 -0.17 0.00 0.00 175.17 173.76 1ghk s ILE 4 N -2.49 0.89 0.15 4.11 1.01 -0.91 -4.94 121.20 119.01 1ghk s ILE 4 Ca 0.56 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.92 1ghk s ILE 4 Cb -0.10 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1ghk s ILE 4 CO 0.30 0.34 0.20 -1.59 0.00 0.00 0.00 174.94 174.18 1ghk s LYS 5 N 1.53 1.05 0.52 2.79 0.00 -1.26 -1.75 119.74 122.62 1ghk s LYS 5 Ca 0.01 -1.25 -0.21 0.00 0.00 0.00 0.00 55.97 54.52 1ghk s LYS 5 Cb -0.13 0.33 -0.06 0.00 0.00 0.00 0.00 37.83 37.97 1ghk s LYS 5 CO -0.05 -0.35 1.19 0.00 0.00 0.00 0.00 175.35 176.14 1ghk s ALA 6 N -3.99 2.78 1.01 0.59 0.00 -0.78 -4.93 121.76 116.44 1ghk s ALA 6 Ca 0.18 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 53.09 1ghk s ALA 6 Cb 0.05 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.80 1ghk s ALA 6 CO -0.00 -0.91 0.29 -0.35 0.00 0.00 0.00 175.76 174.79 1ghk n PRO 7 N -1.03 -0.53 -3.24 0.00 -0.04 -1.26 -3.08 135.00 125.83 1ghk n PRO 7 Ca 0.10 -0.45 -0.46 0.00 -0.04 0.00 0.00 63.50 62.66 1ghk n PRO 7 Cb 0.49 -0.32 -0.04 0.00 -0.04 0.00 0.00 33.50 33.59 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 -1.61 5.19 0.63 0.52 2.01 -1.26 -3.84 115.64 117.28 1ghk s THR 8 Ca 0.17 -1.64 -0.19 0.00 0.31 0.00 0.00 61.69 60.34 1ghk s THR 8 Cb -0.01 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 1ghk s THR 8 CO 0.12 -1.03 1.30 0.49 -0.69 0.00 0.00 174.62 174.81 1ghk n PHE 9 N 5.27 1.98 -0.56 4.92 3.72 -1.26 -5.01 117.46 126.52 1ghk n PHE 9 Ca -0.02 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 1ghk n PHE 9 Cb 0.43 -2.28 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 1ghk n PHE 9 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ghk n PRO 10 N -1.73 0.25 -0.04 -1.08 -0.04 -1.25 -4.95 135.00 126.16 1ghk n PRO 10 Ca 0.15 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.45 1ghk n PRO 10 Cb 0.47 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.86 1ghk n PRO 10 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ghk h GLU 11 N 0.00 0.63 -0.39 0.54 4.81 -2.03 -3.32 114.58 114.83 1ghk h GLU 11 Ca 0.00 -0.48 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1ghk h GLU 11 Cb 0.00 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1ghk h GLU 11 CO 0.00 1.10 -0.31 1.03 -0.73 0.00 0.00 179.01 180.09 1ghk h SER 12 N 0.29 -1.11 -3.15 1.04 0.87 -2.03 -3.39 113.55 106.08 1ghk h SER 12 Ca -0.02 0.16 -0.65 0.00 -1.23 0.00 0.00 61.79 60.04 1ghk h SER 12 Cb 1.17 0.47 -0.10 0.00 -0.44 0.00 0.00 62.40 63.50 1ghk h SER 12 CO 0.11 -0.17 -0.59 -0.63 -0.53 0.00 0.00 176.83 175.02 1ghk s ILE 13 N -4.40 4.63 -0.18 2.23 -1.09 -1.25 -5.00 121.20 116.14 1ghk s ILE 13 Ca -0.07 -0.48 0.16 0.00 -2.23 0.00 0.00 60.65 58.03 1ghk s ILE 13 Cb 0.05 -3.12 0.45 0.00 -1.58 0.00 0.00 42.46 38.26 1ghk s ILE 13 CO 0.34 0.33 1.34 0.00 -1.23 0.00 0.00 174.94 175.71 1ghk n ALA 14 N 1.13 2.99 -3.26 9.38 0.00 -1.26 -3.85 120.51 125.63 1ghk n ALA 14 Ca -0.13 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1ghk n ALA 14 Cb 0.53 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.90 -0.69 -2.33 0.00 5.75 -1.26 -4.63 116.55 112.48 1ghk n ASP 15 Ca 0.21 -1.46 -0.09 0.00 -0.01 0.00 0.00 54.79 53.44 1ghk n ASP 15 Cb 0.83 1.14 -0.01 0.00 -1.03 0.00 0.00 41.12 42.05 1ghk n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ghk n GLY 16 N -0.18 2.24 3.17 6.12 0.00 -1.09 -4.63 105.19 110.82 1ghk n GLY 16 Ca -0.02 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.45 1.05 2.61 2.01 -0.94 -1.48 115.64 115.80 1ghk s THR 17 Ca 0.18 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 1ghk s THR 17 Cb -0.01 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 1ghk s THR 17 CO 0.13 0.08 -0.74 0.52 -0.69 0.00 0.00 174.62 173.92 1ghk n VAL 18 N 5.14 0.00 0.00 3.82 0.31 -0.64 -1.63 118.33 125.33 1ghk n VAL 18 Ca -0.11 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1ghk n VAL 18 Cb 0.51 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 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 -3.84 1.43 -3.64 3.52 0.00 -0.66 -3.77 120.51 113.54 1ghk n ALA 19 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1ghk n ALA 19 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.57 -0.22 -1.11 0.00 2.01 -1.25 -3.87 115.64 110.63 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 1.32 0.26 -0.69 0.00 0.00 174.62 175.51 1ghk s TRP 21 N 1.92 3.40 0.00 4.92 0.52 -1.26 -2.72 118.94 125.72 1ghk s TRP 21 Ca -0.09 -1.91 0.00 0.00 0.02 0.00 0.00 56.10 54.12 1ghk s TRP 21 Cb -0.07 -4.29 0.00 0.00 -1.15 0.00 0.00 33.47 27.96 1ghk s TRP 21 CO -0.20 -1.41 0.99 0.72 0.02 0.00 0.00 176.95 177.07 1ghk n HIS 22 N 5.86 0.00 -2.69 -1.98 8.25 -1.25 -4.62 115.22 118.81 1ghk n HIS 22 Ca 0.32 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.55 1ghk n HIS 22 Cb 0.45 -0.49 0.10 0.00 1.12 0.00 0.00 29.99 31.16 1ghk n HIS 22 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ghk s LYS 23 N -2.96 1.81 0.39 -0.41 3.01 -1.26 -5.12 119.74 115.19 1ghk s LYS 23 Ca 0.00 -1.23 0.07 0.00 -1.01 0.00 0.00 55.97 53.79 1ghk s LYS 23 Cb 0.00 -2.40 -0.08 0.00 -1.01 0.00 0.00 37.83 34.34 1ghk s LYS 23 CO 0.00 -1.32 0.01 0.15 0.51 0.00 0.00 175.35 174.69 1ghk s LYS 24 N -5.04 1.89 -0.19 1.68 1.02 -1.26 -5.00 119.74 112.84 1ghk s LYS 24 Ca 0.65 -2.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.29 1ghk s LYS 24 Cb -0.05 -1.51 -0.01 0.00 -0.52 0.00 0.00 37.83 35.73 1ghk s LYS 24 CO 0.43 -0.05 1.22 -1.25 -0.92 0.00 0.00 175.35 174.78 1ghk s PRO 25 N -3.73 4.22 0.00 -1.68 0.04 -1.26 -3.61 135.00 128.98 1ghk s PRO 25 Ca 0.35 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1ghk s PRO 25 Cb 0.09 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1ghk s PRO 25 CO 0.17 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.90 1ghk n GLY 26 N 3.60 1.17 3.81 0.56 0.00 -1.26 -4.90 105.19 108.18 1ghk n GLY 26 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 2.27 0.28 1.61 4.04 -1.24 -5.01 118.70 120.64 1ghk s GLU 27 Ca 0.00 -1.93 -0.23 0.00 0.04 0.00 0.00 54.97 52.84 1ghk s GLU 27 Cb 0.00 -2.02 -0.09 0.00 0.02 0.00 0.00 34.13 32.04 1ghk s GLU 27 CO 0.00 -0.32 0.85 0.00 -1.84 0.00 0.00 175.26 173.94 1ghk s ALA 28 N -2.68 3.30 0.21 -0.84 0.00 -1.26 -4.24 121.76 116.26 1ghk s ALA 28 Ca 0.35 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.77 1ghk s ALA 28 Cb 0.01 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1ghk s ALA 28 CO 0.20 0.24 -0.02 0.08 0.00 0.00 0.00 175.76 176.27 1ghk s VAL 29 N -1.56 3.52 -0.05 0.00 1.01 -1.16 -5.03 120.40 117.13 1ghk s VAL 29 Ca 0.47 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.75 1ghk s VAL 29 Cb -0.18 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1ghk s VAL 29 CO 0.23 -0.22 0.12 -0.54 0.00 0.00 0.00 175.10 174.68 1ghk s LYS 30 N -3.23 0.10 0.26 2.72 -0.14 -1.26 -4.04 119.74 114.15 1ghk s LYS 30 Ca 0.29 0.23 -0.27 0.00 -1.36 0.00 0.00 55.97 54.86 1ghk s LYS 30 Cb -0.08 -0.04 -0.16 0.00 -1.68 0.00 0.00 37.83 35.87 1ghk s LYS 30 CO 0.19 -0.08 0.59 -2.13 -0.76 0.00 0.00 175.35 173.16 1ghk n ARG 31 N 3.51 0.35 -2.75 1.68 0.63 -1.26 -2.43 116.66 116.40 1ghk n ARG 31 Ca -0.18 0.13 -0.09 0.00 -0.92 0.00 0.00 57.85 56.78 1ghk n ARG 31 Cb 0.56 -1.23 0.05 0.00 0.45 0.00 0.00 32.46 32.28 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 1.79 -2.10 -3.62 6.15 2.03 -1.26 -4.99 116.55 114.55 1ghk n ASP 32 Ca 0.15 -0.32 -0.27 0.00 0.52 0.00 0.00 54.79 54.87 1ghk n ASP 32 Cb 0.29 -2.88 -0.16 0.00 -0.72 0.00 0.00 41.12 37.65 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 -4.73 0.24 1.01 -0.67 2.12 -1.02 -5.05 118.70 110.60 1ghk s GLU 33 Ca 0.01 -0.32 -0.21 0.00 0.36 0.00 0.00 54.97 54.82 1ghk s GLU 33 Cb -0.00 -1.72 -0.11 0.00 0.26 0.00 0.00 34.13 32.56 1ghk s GLU 33 CO 0.38 -0.77 -0.81 -0.11 -0.54 0.00 0.00 175.26 173.41 1ghk n LEU 34 N 5.20 -3.60 0.00 2.70 7.94 -1.26 -3.29 117.00 124.68 1ghk n LEU 34 Ca -0.07 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1ghk n LEU 34 Cb 0.46 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 43.66 1ghk n LEU 34 CO 0.09 -3.98 -0.14 -0.38 -1.11 0.00 0.00 177.39 171.86 1ghk n ILE 35 N -3.30 0.00 -3.62 1.96 5.41 0.84 -4.71 119.36 115.93 1ghk n ILE 35 Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.67 1ghk n ILE 35 Cb 0.64 -0.60 -0.06 0.00 -0.71 0.00 0.00 39.64 38.91 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 -1.80 0.00 0.37 1.39 0.11 -0.98 -3.75 120.40 115.75 1ghk s VAL 36 Ca 0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1ghk s VAL 36 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1ghk s VAL 36 CO 0.00 0.00 0.50 -1.81 -3.33 0.00 0.00 175.10 170.46 1ghk s ASP 37 N -0.34 5.84 0.04 3.54 1.01 -1.10 -0.50 116.67 125.16 1ghk s ASP 37 Ca 0.04 -0.28 -0.04 0.00 0.71 0.00 0.00 52.55 52.97 1ghk s ASP 37 Cb -0.03 -1.01 -0.02 0.00 1.01 0.00 0.00 42.92 42.87 1ghk s ASP 37 CO -0.06 -0.55 0.06 -0.51 0.21 0.00 0.00 175.17 174.31 1ghk s ILE 38 N -2.24 0.16 -0.15 0.77 2.07 -0.62 -1.66 121.20 119.52 1ghk s ILE 38 Ca 0.49 -1.29 0.01 0.00 -1.41 0.00 0.00 60.65 58.46 1ghk s ILE 38 Cb -0.10 -1.05 0.02 0.00 0.13 0.00 0.00 42.46 41.46 1ghk s ILE 38 CO 0.32 -0.71 -0.19 -0.70 -1.91 0.00 0.00 174.94 171.75 1ghk s GLU 39 N -2.99 2.76 0.00 3.50 2.12 -0.65 -2.24 118.70 121.20 1ghk s GLU 39 Ca -0.02 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1ghk s GLU 39 Cb 0.01 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 32.05 1ghk s GLU 39 CO -0.06 -0.14 0.00 0.25 -0.54 0.00 0.00 175.26 174.77 1ghk n THR 40 N 4.44 0.00 -0.21 -1.70 -2.24 -0.72 -2.22 114.28 111.63 1ghk n THR 40 Ca -0.20 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 1ghk n THR 40 Cb 0.51 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.46 0.00 3.42 3.58 -1.95 -3.37 116.42 116.65 1ghk h ASP 41 Ca 0.00 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1ghk h ASP 41 Cb 0.00 0.63 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1ghk h ASP 41 CO 0.00 -0.22 -0.20 0.29 -2.88 0.00 0.00 179.24 176.22 1ghk n LYS 42 N -4.62 0.00 -4.60 0.28 5.02 -1.26 -5.00 118.16 107.97 1ghk n LYS 42 Ca -0.00 -0.47 -0.29 0.00 -2.02 0.00 0.00 58.31 55.53 1ghk n LYS 42 Cb 0.21 -0.26 -0.10 0.00 -0.02 0.00 0.00 35.03 34.86 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 1.81 -0.08 -0.18 1.01 -1.26 -5.14 120.40 116.56 1ghk s VAL 43 Ca 0.00 -1.97 0.01 0.00 0.00 0.00 0.00 61.98 60.03 1ghk s VAL 43 Cb 0.00 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1ghk s VAL 43 CO 0.00 0.00 -0.10 0.54 0.00 0.00 0.00 175.10 175.54 1ghk s VAL 44 N -2.74 1.03 -0.18 2.92 0.11 -1.26 -1.76 120.40 118.53 1ghk s VAL 44 Ca 0.28 -0.38 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 1ghk s VAL 44 Cb 0.07 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1ghk s VAL 44 CO 0.15 0.34 -0.10 -0.04 -3.33 0.00 0.00 175.10 172.12 1ghk s MET 45 N 1.03 3.34 0.28 1.54 -1.94 -0.95 -4.96 119.30 117.64 1ghk s MET 45 Ca -0.08 -0.67 -0.17 0.00 -1.71 0.00 0.00 55.69 53.05 1ghk s MET 45 Cb -0.15 -2.79 -0.09 0.00 2.01 0.00 0.00 34.83 33.82 1ghk s MET 45 CO -0.01 -0.02 0.74 -1.83 -0.01 0.00 0.00 175.02 173.89 1ghk s GLU 46 N 0.95 4.13 -0.34 2.03 4.04 -1.26 -1.58 118.70 126.66 1ghk s GLU 46 Ca -0.02 0.78 -0.00 0.00 0.04 0.00 0.00 54.97 55.77 1ghk s GLU 46 Cb -0.15 -2.64 0.09 0.00 0.02 0.00 0.00 34.13 31.44 1ghk s GLU 46 CO -0.01 0.27 0.07 0.08 -1.84 0.00 0.00 175.26 173.84 1ghk s VAL 47 N -1.76 2.83 0.31 1.83 1.01 0.34 -4.96 120.40 119.99 1ghk s VAL 47 Ca 0.49 -1.90 0.07 0.00 0.00 0.00 0.00 61.98 60.64 1ghk s VAL 47 Cb -0.13 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1ghk s VAL 47 CO 0.19 -0.43 0.30 -0.22 0.00 0.00 0.00 175.10 174.94 1ghk s LEU 48 N 1.11 3.72 0.62 3.92 0.20 -1.26 -0.11 118.68 126.87 1ghk s LEU 48 Ca 0.03 -0.38 -0.07 0.00 0.69 0.00 0.00 54.13 54.40 1ghk s LEU 48 Cb -0.21 -2.34 0.01 0.00 -0.43 0.00 0.00 46.19 43.22 1ghk s LEU 48 CO -0.04 -0.29 0.95 0.00 -0.29 0.00 0.00 176.35 176.67 1ghk s ALA 49 N -2.24 3.21 -1.87 5.97 0.00 -1.21 -4.86 121.76 120.77 1ghk s ALA 49 Ca 0.40 -0.62 0.17 0.00 0.00 0.00 0.00 51.96 51.90 1ghk s ALA 49 Cb -0.07 -2.70 0.26 0.00 0.00 0.00 0.00 23.12 20.61 1ghk s ALA 49 CO 0.27 -0.89 1.17 0.39 0.00 0.00 0.00 175.76 176.70 1ghk n GLU 50 N -2.68 1.89 0.00 0.00 -0.58 -1.26 -4.51 120.64 113.50 1ghk n GLU 50 Ca 0.05 -1.82 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 1ghk n GLU 50 Cb 0.58 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.99 0.00 -0.70 0.62 0.00 -1.26 -4.96 120.51 115.20 1ghk n ALA 51 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1ghk n ALA 51 Cb 0.46 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.54 0.00 0.00 -0.08 -1.26 -4.50 116.55 108.16 1ghk n ASP 52 Ca 0.00 -0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1ghk n ASP 52 Cb 0.00 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 42.60 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 2.32 -0.20 2.79 0.27 0.00 -1.26 -4.90 105.19 104.21 1ghk n GLY 53 Ca 0.01 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.86 0.25 0.90 1.61 1.01 -1.25 -3.00 120.40 117.07 1ghk s VAL 54 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1ghk s VAL 54 Cb 0.00 -0.38 0.14 0.00 0.00 0.00 0.00 36.38 36.13 1ghk s VAL 54 CO 0.00 0.20 1.14 -0.63 0.00 0.00 0.00 175.10 175.81 1ghk s ILE 55 N 1.46 2.23 -0.06 2.22 -1.09 -1.26 -1.42 121.20 123.27 1ghk s ILE 55 Ca -0.03 0.07 -0.06 0.00 -2.23 0.00 0.00 60.65 58.40 1ghk s ILE 55 Cb -0.13 -2.16 -0.02 0.00 -1.58 0.00 0.00 42.46 38.57 1ghk s ILE 55 CO -0.03 -0.10 -0.13 0.00 -1.23 0.00 0.00 174.94 173.46 1ghk n ALA 56 N -4.15 0.39 0.00 9.38 0.00 -0.07 -4.24 120.51 121.83 1ghk n ALA 56 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ghk n ALA 56 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1ghk n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ghk n GLU 57 N -3.21 0.00 -3.13 0.00 2.13 -1.26 -4.65 120.64 110.51 1ghk n GLU 57 Ca -0.05 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.51 1ghk n GLU 57 Cb 0.19 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.88 1ghk n GLU 57 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ghk s ILE 58 N -1.17 5.01 -0.03 6.31 -1.09 -1.26 -3.70 121.20 125.27 1ghk s ILE 58 Ca 0.00 -0.08 -0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1ghk s ILE 58 Cb 0.00 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1ghk s ILE 58 CO 0.00 -0.57 -0.04 0.52 -1.23 0.00 0.00 174.94 173.61 1ghk n VAL 59 N -1.66 0.35 -3.12 2.92 0.31 0.21 -4.89 118.33 112.45 1ghk n VAL 59 Ca -0.02 0.43 -0.19 0.00 -0.01 0.00 0.00 64.34 64.55 1ghk n VAL 59 Cb 0.55 -1.72 0.03 0.00 -0.91 0.00 0.00 33.84 31.79 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 -1.31 2.50 0.24 5.55 -0.14 -1.26 -5.11 119.74 120.21 1ghk s LYS 60 Ca -0.04 -1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.04 1ghk s LYS 60 Cb 0.00 -2.63 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 1ghk s LYS 60 CO 0.05 -0.59 0.44 -0.80 -0.76 0.00 0.00 175.35 173.69 1ghk s ASN 61 N -4.49 6.38 0.65 2.83 0.01 -1.26 -5.04 114.94 114.01 1ghk s ASN 61 Ca 0.57 0.45 -0.18 0.00 -0.71 0.00 0.00 52.86 52.98 1ghk s ASN 61 Cb -0.07 -2.03 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 1ghk s ASN 61 CO 0.35 -0.10 1.30 -1.83 -1.51 0.00 0.00 177.10 175.31 1ghk s GLU 62 N -3.51 2.55 0.00 -0.60 -1.05 -1.26 -2.41 118.70 112.42 1ghk s GLU 62 Ca 0.39 2.08 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 1ghk s GLU 62 Cb -0.11 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 1ghk s GLU 62 CO 0.30 -1.61 0.00 0.41 0.95 0.00 0.00 175.26 175.31 1ghk n GLY 63 N 0.91 1.71 3.94 -3.83 0.00 -1.25 -4.95 105.19 101.73 1ghk n GLY 63 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.30 4.80 -0.15 1.61 2.15 -1.01 -4.81 116.67 116.96 1ghk s ASP 64 Ca 0.00 0.29 -0.08 0.00 0.43 0.00 0.00 52.55 53.19 1ghk s ASP 64 Cb 0.00 -0.94 -0.04 0.00 -0.30 0.00 0.00 42.92 41.64 1ghk s ASP 64 CO 0.00 -1.58 0.12 -0.89 -0.17 0.00 0.00 175.17 172.66 1ghk s THR 65 N -3.17 5.34 0.36 1.71 2.01 -1.26 -1.62 115.64 119.01 1ghk s THR 65 Ca 0.61 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1ghk s THR 65 Cb -0.10 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1ghk s THR 65 CO 0.44 0.54 0.04 1.33 -0.69 0.00 0.00 174.62 176.28 1ghk n VAL 66 N 2.70 0.00 -4.48 3.82 0.24 -0.55 -4.94 118.33 115.12 1ghk n VAL 66 Ca -0.18 -1.68 -0.24 0.00 -2.04 0.00 0.00 64.34 60.20 1ghk n VAL 66 Cb 0.54 0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 33.07 1ghk n VAL 66 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ghk s LEU 67 N 0.00 2.62 0.03 1.34 1.43 -1.26 -2.67 118.68 120.17 1ghk s LEU 67 Ca 0.03 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 51.72 1ghk s LEU 67 Cb -0.00 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 45.18 1ghk s LEU 67 CO 0.02 -0.12 1.73 -0.55 0.23 0.00 0.00 176.35 177.66 1ghk s SER 68 N -3.52 6.58 0.00 2.29 0.15 -1.26 -1.36 113.70 116.58 1ghk s SER 68 Ca 0.30 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.41 1ghk s SER 68 Cb -0.01 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1ghk s SER 68 CO 0.14 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.25 1ghk n GLY 69 N 4.16 0.78 3.58 9.45 0.00 -1.18 -4.99 105.19 117.00 1ghk n GLY 69 Ca 0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.57 3.70 0.02 1.61 2.56 -0.47 -4.77 118.70 120.78 1ghk s GLU 70 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 54.97 55.03 1ghk s GLU 70 Cb 0.00 -3.86 -0.05 0.00 2.00 0.00 0.00 34.13 32.22 1ghk s GLU 70 CO 0.00 -1.05 1.30 -1.17 -0.56 0.00 0.00 175.26 173.78 1ghk s LEU 71 N 3.54 4.33 -0.03 2.70 2.96 -1.26 -1.87 118.68 129.04 1ghk s LEU 71 Ca 0.37 2.05 -0.02 0.00 -0.22 0.00 0.00 54.13 56.30 1ghk s LEU 71 Cb -0.11 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 1ghk s LEU 71 CO 0.22 -0.61 -0.05 0.18 -1.32 0.00 0.00 176.35 174.77 1ghk n LEU 72 N 4.76 0.36 -4.37 -0.68 4.77 -0.72 -4.71 117.00 116.42 1ghk n LEU 72 Ca 0.11 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 56.10 1ghk n LEU 72 Cb 0.45 -0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1ghk n LEU 72 CO 0.57 -0.48 -0.14 -0.83 -1.33 0.00 0.00 177.39 175.18 1ghk s GLY 73 N -3.05 2.43 0.01 -0.72 0.00 -1.22 0.64 107.32 105.41 1ghk s GLY 73 Ca -0.04 -1.74 -0.09 0.00 0.00 0.00 0.00 44.72 42.85 1ghk s GLY 73 CO 0.06 -1.60 0.18 0.54 0.00 0.00 0.00 173.10 172.27 1ghk s LYS 74 N -3.56 0.58 0.12 2.90 1.02 -1.24 -2.14 119.74 117.43 1ghk s LYS 74 Ca 0.34 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.87 1ghk s LYS 74 Cb 0.02 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.54 1ghk s LYS 74 CO 0.22 -0.15 0.28 -1.17 -0.92 0.00 0.00 175.35 173.61 1ghk s LEU 75 N -1.64 4.32 0.00 3.17 2.96 -0.71 -0.89 118.68 125.90 1ghk s LEU 75 Ca -0.11 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1ghk s LEU 75 Cb -0.05 -3.01 0.00 0.00 0.50 0.00 0.00 46.19 43.63 1ghk s LEU 75 CO -0.00 0.09 0.00 1.07 -1.32 0.00 0.00 176.35 176.18 1ghk n THR 76 N -0.16 0.00 0.00 3.68 5.66 -0.51 -3.94 114.28 119.01 1ghk n THR 76 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1ghk n THR 76 Cb 0.52 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 -1.26 1.09 1.02 -1.26 -2.72 120.64 117.51 1ghk n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ghk n GLU 77 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 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 2.60 -4.34 0.00 0.62 0.00 -1.26 -3.80 105.19 99.00 1ghk n GLY 78 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93