#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 0.02 -0.10 0.00 -4.36 -1.18 -5.01 121.20 110.58 1ghk s ILE 2 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1ghk s ILE 2 Cb 0.00 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.20 1ghk s ILE 2 CO 0.00 0.00 -0.13 -0.62 0.24 0.00 0.00 174.94 174.43 1ghk s ASP 3 N -3.36 4.04 -0.53 4.36 2.15 -1.26 -2.07 116.67 120.00 1ghk s ASP 3 Ca 0.40 -0.27 -0.10 0.00 0.43 0.00 0.00 52.55 53.00 1ghk s ASP 3 Cb 0.03 -1.35 0.14 0.00 -0.30 0.00 0.00 42.92 41.44 1ghk s ASP 3 CO 0.25 0.23 0.42 -0.63 -0.17 0.00 0.00 175.17 175.28 1ghk s ILE 4 N -0.04 4.47 0.32 4.11 1.01 -0.34 -4.92 121.20 125.81 1ghk s ILE 4 Ca -0.03 -1.93 0.05 0.00 0.00 0.00 0.00 60.65 58.74 1ghk s ILE 4 Cb -0.14 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1ghk s ILE 4 CO 0.04 -0.83 0.03 -1.59 0.00 0.00 0.00 174.94 172.59 1ghk s LYS 5 N 1.14 1.64 0.60 2.79 -2.85 -1.26 -1.07 119.74 120.73 1ghk s LYS 5 Ca 0.08 -1.89 -0.16 0.00 -1.00 0.00 0.00 55.97 52.99 1ghk s LYS 5 Cb -0.25 -0.98 -0.03 0.00 -2.06 0.00 0.00 37.83 34.51 1ghk s LYS 5 CO -0.01 -0.12 1.08 0.00 0.10 0.00 0.00 175.35 176.40 1ghk s ALA 6 N -3.19 2.66 0.27 0.59 0.00 -0.58 -4.87 121.76 116.64 1ghk s ALA 6 Ca 0.35 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1ghk s ALA 6 Cb 0.08 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 1ghk s ALA 6 CO 0.15 -0.91 1.00 -1.25 0.00 0.00 0.00 175.76 174.74 1ghk s PRO 7 N -3.90 4.74 0.18 0.00 0.04 -1.26 -3.21 135.00 131.58 1ghk s PRO 7 Ca 0.66 1.58 -0.32 0.00 0.04 0.00 0.00 61.00 62.96 1ghk s PRO 7 Cb -0.19 -3.18 -0.11 0.00 0.04 0.00 0.00 34.50 31.07 1ghk s PRO 7 CO 0.35 0.37 1.65 -0.08 0.04 0.00 0.00 177.00 179.34 1ghk s THR 8 N -1.23 2.37 0.15 1.26 -1.32 -1.26 -4.55 115.64 111.06 1ghk s THR 8 Ca 0.44 0.24 -0.02 0.00 -1.21 0.00 0.00 61.69 61.13 1ghk s THR 8 Cb -0.27 -3.15 -0.05 0.00 -1.51 0.00 0.00 72.50 67.52 1ghk s THR 8 CO 0.34 0.02 0.35 -0.36 -2.21 0.00 0.00 174.62 172.76 1ghk s PHE 9 N 1.29 3.49 0.87 9.09 0.08 -1.26 -5.07 117.98 126.47 1ghk s PHE 9 Ca 0.73 0.41 -0.13 0.00 0.12 0.00 0.00 56.93 58.06 1ghk s PHE 9 Cb -0.46 -1.89 0.12 0.00 -0.57 0.00 0.00 43.02 40.21 1ghk s PHE 9 CO 0.32 0.44 1.18 -1.25 -0.10 0.00 0.00 175.22 175.81 1ghk s PRO 10 N -2.90 1.42 0.18 0.24 0.04 -1.20 -4.86 135.00 127.92 1ghk s PRO 10 Ca 0.39 0.09 -0.22 0.00 0.04 0.00 0.00 61.00 61.30 1ghk s PRO 10 Cb -0.12 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1ghk s PRO 10 CO 0.27 -1.96 1.58 0.93 0.04 0.00 0.00 177.00 177.86 1ghk h GLU 11 N -1.32 -0.17 -0.53 4.56 5.08 -2.01 -1.43 114.58 118.76 1ghk h GLU 11 Ca -0.47 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1ghk h GLU 11 Cb 1.32 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.53 1ghk h GLU 11 CO 0.60 -0.11 -0.43 1.03 -1.00 0.00 0.00 179.01 179.09 1ghk h SER 12 N -0.18 -1.52 -3.60 1.42 0.87 -2.04 -3.34 113.55 105.16 1ghk h SER 12 Ca 0.22 0.22 -0.62 0.00 -1.23 0.00 0.00 61.79 60.38 1ghk h SER 12 Cb 0.55 0.65 -0.13 0.00 -0.44 0.00 0.00 62.40 63.03 1ghk h SER 12 CO -0.68 -0.24 -0.04 -0.63 -0.53 0.00 0.00 176.83 174.71 1ghk s ILE 13 N -4.94 5.07 -1.48 2.23 -1.09 -0.54 -4.92 121.20 115.53 1ghk s ILE 13 Ca -0.10 0.76 0.16 0.00 -2.23 0.00 0.00 60.65 59.25 1ghk s ILE 13 Cb 0.07 -3.84 0.58 0.00 -1.58 0.00 0.00 42.46 37.69 1ghk s ILE 13 CO 0.47 0.04 1.47 0.00 -1.23 0.00 0.00 174.94 175.68 1ghk n ALA 14 N 5.56 2.80 0.00 9.38 0.00 -1.25 -3.21 120.51 133.79 1ghk n ALA 14 Ca -0.05 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1ghk n ALA 14 Cb 0.50 -1.00 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 1.03 0.00 0.00 0.00 5.68 -1.26 -4.56 116.55 117.44 1ghk n ASP 15 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 1ghk n ASP 15 Cb 0.68 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 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 -0.11 4.30 3.15 6.12 0.00 -1.24 -4.80 105.19 112.61 1ghk n GLY 16 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.69 -0.37 1.07 2.61 2.01 -0.80 -1.95 115.64 116.52 1ghk s THR 17 Ca 0.00 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.98 1ghk s THR 17 Cb 0.00 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.96 1ghk s THR 17 CO 0.00 0.08 -0.47 0.52 -0.69 0.00 0.00 174.62 174.06 1ghk n VAL 18 N 5.00 0.00 0.00 3.82 0.31 -0.57 -0.81 118.33 126.09 1ghk n VAL 18 Ca -0.13 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1ghk n VAL 18 Cb 0.51 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 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 -4.01 1.64 -3.64 3.52 0.00 0.20 -3.63 120.51 114.59 1ghk n ALA 19 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1ghk n ALA 19 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.50 0.00 -1.07 0.00 2.01 -1.23 -3.64 115.64 111.20 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 1.28 0.26 -0.69 0.00 0.00 174.62 175.47 1ghk s TRP 21 N 1.05 3.33 0.14 4.92 0.52 -1.26 -2.56 118.94 125.07 1ghk s TRP 21 Ca -0.05 -1.79 -0.30 0.00 0.02 0.00 0.00 56.10 53.97 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 -0.10 -1.43 1.52 0.45 0.02 0.00 0.00 176.95 177.41 1ghk h HIS 22 N 7.95 -1.74 -4.53 -1.98 3.86 -1.96 -3.42 115.15 113.33 1ghk h HIS 22 Ca 0.24 0.11 -0.11 0.00 -1.16 0.00 0.00 60.37 59.45 1ghk h HIS 22 Cb 0.95 0.86 0.01 0.00 1.06 0.00 0.00 27.41 30.28 1ghk h HIS 22 CO 1.13 -0.40 -0.01 1.63 0.86 0.00 0.00 177.93 181.14 1ghk n LYS 23 N -5.19 0.89 -4.39 2.45 4.76 -1.26 -5.13 118.16 110.30 1ghk n LYS 23 Ca -0.00 -0.68 -0.19 0.00 -2.87 0.00 0.00 58.31 54.57 1ghk n LYS 23 Cb 0.28 -0.06 -0.10 0.00 -1.84 0.00 0.00 35.03 33.31 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 -2.59 1.51 -0.29 1.97 3.01 -1.26 -5.03 119.74 117.06 1ghk s LYS 24 Ca 0.13 -1.81 -0.29 0.00 -1.01 0.00 0.00 55.97 52.99 1ghk s LYS 24 Cb -0.01 -0.69 0.00 0.00 -1.01 0.00 0.00 37.83 36.13 1ghk s LYS 24 CO 0.08 -0.18 1.26 -1.25 0.51 0.00 0.00 175.35 175.78 1ghk s PRO 25 N -3.91 3.96 0.00 -1.68 0.04 -1.26 -3.42 135.00 128.73 1ghk s PRO 25 Ca 0.34 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1ghk s PRO 25 Cb 0.08 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1ghk s PRO 25 CO 0.13 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1ghk n GLY 26 N 4.19 1.02 1.16 0.56 0.00 -1.26 -4.90 105.19 105.96 1ghk n GLY 26 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 0.60 -3.95 1.61 -0.00 -1.22 -4.98 120.64 112.70 1ghk n GLU 27 Ca 0.00 -0.86 -0.30 0.00 -0.00 0.00 0.00 57.16 56.00 1ghk n GLU 27 Cb 0.00 -0.15 -0.04 0.00 -0.00 0.00 0.00 31.44 31.25 1ghk n GLU 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ghk s ALA 28 N -2.60 3.92 0.36 -1.84 0.00 -1.26 -4.07 121.76 116.27 1ghk s ALA 28 Ca 0.19 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1ghk s ALA 28 Cb -0.01 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1ghk s ALA 28 CO 0.12 0.75 0.08 0.14 0.00 0.00 0.00 175.76 176.85 1ghk s VAL 29 N -1.55 2.57 -0.06 0.00 -7.23 -1.12 -4.99 120.40 108.02 1ghk s VAL 29 Ca 0.34 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1ghk s VAL 29 Cb -0.12 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 33.91 1ghk s VAL 29 CO 0.27 -0.13 -0.23 -0.54 -0.31 0.00 0.00 175.10 174.16 1ghk s LYS 30 N -3.79 2.45 -0.45 4.82 1.02 -1.26 -4.05 119.74 118.48 1ghk s LYS 30 Ca 0.37 -0.84 -0.43 0.00 0.02 0.00 0.00 55.97 55.10 1ghk s LYS 30 Cb 0.01 -2.05 -0.18 0.00 -0.52 0.00 0.00 37.83 35.10 1ghk s LYS 30 CO 0.21 0.32 1.98 -2.13 -0.92 0.00 0.00 175.35 174.81 1ghk n ARG 31 N 3.08 0.32 -2.01 1.68 0.63 -1.26 -1.09 116.66 118.01 1ghk n ARG 31 Ca -0.18 0.10 -0.03 0.00 -0.92 0.00 0.00 57.85 56.82 1ghk n ARG 31 Cb 0.52 -1.74 0.02 0.00 0.45 0.00 0.00 32.46 31.71 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 6.87 -2.60 -3.91 6.15 2.03 -0.84 -4.82 116.55 119.43 1ghk n ASP 32 Ca 0.44 -0.14 -0.24 0.00 0.52 0.00 0.00 54.79 55.37 1ghk n ASP 32 Cb 0.02 -1.44 -0.17 0.00 -0.72 0.00 0.00 41.12 38.81 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 -3.64 1.28 0.60 -0.67 2.12 -0.25 -4.91 118.70 113.23 1ghk s GLU 33 Ca 0.06 -0.20 -0.18 0.00 0.36 0.00 0.00 54.97 55.01 1ghk s GLU 33 Cb -0.01 -1.30 -0.13 0.00 0.26 0.00 0.00 34.13 32.95 1ghk s GLU 33 CO 0.15 -0.17 -0.02 -0.11 -0.54 0.00 0.00 175.26 174.57 1ghk n LEU 34 N 4.54 -2.69 0.00 2.70 7.94 -1.26 -2.72 117.00 125.52 1ghk n LEU 34 Ca -0.16 0.61 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1ghk n LEU 34 Cb 0.51 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.52 1ghk n LEU 34 CO 0.19 -4.45 -0.05 -0.38 -1.11 0.00 0.00 177.39 171.58 1ghk n ILE 35 N -1.75 0.00 -3.65 1.96 5.41 -0.32 -4.78 119.36 116.22 1ghk n ILE 35 Ca 0.08 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.72 1ghk n ILE 35 Cb 0.48 -0.12 -0.08 0.00 -0.71 0.00 0.00 39.64 39.22 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 -1.22 -0.00 0.25 1.39 0.11 -0.97 -3.58 120.40 116.39 1ghk s VAL 36 Ca 0.00 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 1ghk s VAL 36 Cb 0.00 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1ghk s VAL 36 CO 0.00 0.00 0.51 -1.81 -3.33 0.00 0.00 175.10 170.47 1ghk s ASP 37 N 0.97 6.45 0.20 3.54 1.11 -1.06 -0.69 116.67 127.20 1ghk s ASP 37 Ca -0.05 0.66 0.11 0.00 0.18 0.00 0.00 52.55 53.45 1ghk s ASP 37 Cb -0.05 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 1ghk s ASP 37 CO -0.09 -0.13 -0.21 -0.63 1.18 0.00 0.00 175.17 175.28 1ghk s ILE 38 N -1.98 2.23 0.04 0.77 1.01 -0.77 -0.63 121.20 121.87 1ghk s ILE 38 Ca 0.43 -2.09 0.06 0.00 0.00 0.00 0.00 60.65 59.05 1ghk s ILE 38 Cb -0.11 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 1ghk s ILE 38 CO 0.28 -0.24 -0.18 -1.61 0.00 0.00 0.00 174.94 173.20 1ghk s GLU 39 N -2.90 1.19 0.30 2.79 2.02 0.01 -2.42 118.70 119.69 1ghk s GLU 39 Ca 0.21 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.38 1ghk s GLU 39 Cb -0.07 -1.26 -0.01 0.00 0.10 0.00 0.00 34.13 32.89 1ghk s GLU 39 CO 0.10 0.32 0.11 2.41 0.02 0.00 0.00 175.26 178.22 1ghk n THR 40 N 1.90 0.00 -0.30 3.63 -1.04 -0.31 -1.90 114.28 116.26 1ghk n THR 40 Ca -0.17 -1.74 -0.05 0.00 -2.04 0.00 0.00 64.05 60.05 1ghk n THR 40 Cb 0.54 0.63 0.00 0.00 -1.82 0.00 0.00 70.33 69.68 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 1.19 -1.42 0.00 8.00 1.82 -1.99 -3.30 116.42 120.72 1ghk h ASP 41 Ca -0.23 0.27 -0.09 0.00 -0.39 0.00 0.00 57.03 56.59 1ghk h ASP 41 Cb 0.89 0.70 -0.16 0.00 0.68 0.00 0.00 39.33 41.44 1ghk h ASP 41 CO 0.37 -0.30 -0.56 0.29 -1.61 0.00 0.00 179.24 177.43 1ghk n LYS 42 N -5.43 0.00 -4.21 0.28 5.02 -1.26 -5.08 118.16 107.48 1ghk n LYS 42 Ca 0.06 -1.17 -0.20 0.00 -2.02 0.00 0.00 58.31 54.98 1ghk n LYS 42 Cb 0.37 -0.04 -0.16 0.00 -0.02 0.00 0.00 35.03 35.17 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 0.57 -0.08 -0.18 1.01 -1.25 -5.14 120.40 115.34 1ghk s VAL 43 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1ghk s VAL 43 Cb 0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1ghk s VAL 43 CO -0.06 0.22 -0.03 -0.69 0.00 0.00 0.00 175.10 174.55 1ghk s VAL 44 N 0.77 4.03 0.36 2.92 1.01 -1.26 -1.17 120.40 127.05 1ghk s VAL 44 Ca -0.11 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1ghk s VAL 44 Cb -0.13 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1ghk s VAL 44 CO 0.00 0.60 0.13 -0.04 0.00 0.00 0.00 175.10 175.79 1ghk s MET 45 N -0.82 1.76 0.23 2.72 -1.94 -1.02 -5.01 119.30 115.22 1ghk s MET 45 Ca 0.13 -2.04 0.09 0.00 -1.71 0.00 0.00 55.69 52.16 1ghk s MET 45 Cb -0.11 -0.48 -0.05 0.00 2.01 0.00 0.00 34.83 36.20 1ghk s MET 45 CO 0.02 -0.42 -0.16 -1.21 -0.01 0.00 0.00 175.02 173.24 1ghk s GLU 46 N -3.78 1.43 -0.44 2.03 2.02 -1.26 -1.84 118.70 116.86 1ghk s GLU 46 Ca 0.30 -1.64 0.02 0.00 0.02 0.00 0.00 54.97 53.67 1ghk s GLU 46 Cb 0.05 -1.32 0.14 0.00 0.10 0.00 0.00 34.13 33.10 1ghk s GLU 46 CO 0.16 0.23 0.24 0.08 0.02 0.00 0.00 175.26 175.99 1ghk s VAL 47 N -2.82 1.36 0.19 2.63 1.01 0.13 -4.85 120.40 118.05 1ghk s VAL 47 Ca 0.25 -2.55 0.05 0.00 0.00 0.00 0.00 61.98 59.72 1ghk s VAL 47 Cb -0.02 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1ghk s VAL 47 CO 0.09 -0.91 0.23 -1.48 0.00 0.00 0.00 175.10 173.04 1ghk s LEU 48 N 0.34 4.07 0.44 3.92 2.34 -1.26 -1.18 118.68 127.35 1ghk s LEU 48 Ca 0.18 -0.02 -0.21 0.00 0.06 0.00 0.00 54.13 54.14 1ghk s LEU 48 Cb -0.23 -2.64 -0.10 0.00 -0.56 0.00 0.00 46.19 42.66 1ghk s LEU 48 CO -0.00 0.02 0.99 0.00 -1.06 0.00 0.00 176.35 176.29 1ghk s ALA 49 N -1.86 3.00 -1.70 1.48 0.00 -1.10 -4.87 121.76 116.71 1ghk s ALA 49 Ca 0.33 0.51 0.13 0.00 0.00 0.00 0.00 51.96 52.93 1ghk s ALA 49 Cb -0.10 -3.20 0.43 0.00 0.00 0.00 0.00 23.12 20.25 1ghk s ALA 49 CO 0.26 -0.05 1.32 0.39 0.00 0.00 0.00 175.76 177.69 1ghk n GLU 50 N -0.59 2.34 0.00 0.00 1.02 -1.26 -1.99 120.64 120.15 1ghk n GLU 50 Ca 0.07 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.50 1ghk n GLU 50 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ghk n ALA 51 N 0.75 0.00 -0.56 0.62 0.00 -1.26 -4.63 120.51 115.43 1ghk n ALA 51 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 1ghk n ALA 51 Cb 0.48 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.34 0.00 0.00 -0.08 -1.26 -4.42 116.55 108.45 1ghk n ASP 52 Ca 0.00 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.06 1ghk n ASP 52 Cb 0.00 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.41 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 1.70 -0.14 2.77 0.27 0.00 -1.26 -4.85 105.19 103.67 1ghk n GLY 53 Ca 0.02 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.61 0.06 0.84 1.61 1.01 -1.17 -2.78 120.40 116.36 1ghk s VAL 54 Ca 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1ghk s VAL 54 Cb 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 36.38 36.27 1ghk s VAL 54 CO 0.00 0.14 1.16 -0.63 0.00 0.00 0.00 175.10 175.77 1ghk s ILE 55 N 1.36 2.30 -0.01 2.22 -1.09 -1.26 -1.43 121.20 123.29 1ghk s ILE 55 Ca -0.05 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 1ghk s ILE 55 Cb -0.13 -2.37 -0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1ghk s ILE 55 CO -0.03 -0.11 -0.01 0.00 -1.23 0.00 0.00 174.94 173.56 1ghk n ALA 56 N -3.67 0.03 -3.64 9.38 0.00 -0.32 -4.24 120.51 118.05 1ghk n ALA 56 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1ghk n ALA 56 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.08 0.23 -0.03 0.00 -1.05 -1.26 -4.53 118.70 110.98 1ghk s GLU 57 Ca -0.01 0.21 -0.14 0.00 -0.15 0.00 0.00 54.97 54.88 1ghk s GLU 57 Cb 0.00 0.11 -0.05 0.00 -0.44 0.00 0.00 34.13 33.75 1ghk s GLU 57 CO 0.02 -0.04 0.39 0.42 0.95 0.00 0.00 175.26 176.99 1ghk s ILE 58 N -0.18 5.10 -0.16 1.83 -1.09 -1.26 -3.99 121.20 121.45 1ghk s ILE 58 Ca 0.06 0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 59.14 1ghk s ILE 58 Cb -0.04 -3.69 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 1ghk s ILE 58 CO -0.10 0.54 -0.10 0.52 -1.23 0.00 0.00 174.94 174.56 1ghk n VAL 59 N 2.18 1.45 -2.76 2.92 0.31 -0.94 -4.95 118.33 116.54 1ghk n VAL 59 Ca -0.13 0.15 -0.25 0.00 -0.01 0.00 0.00 64.34 64.10 1ghk n VAL 59 Cb 0.52 -2.31 0.01 0.00 -0.91 0.00 0.00 33.84 31.16 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 -2.29 3.16 0.18 5.55 -0.14 -1.26 -5.09 119.74 119.85 1ghk s LYS 60 Ca -0.19 -0.18 0.04 0.00 -1.36 0.00 0.00 55.97 54.29 1ghk s LYS 60 Cb 0.03 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.71 1ghk s LYS 60 CO 0.31 -0.35 0.24 -0.80 -0.76 0.00 0.00 175.35 173.99 1ghk s ASN 61 N -4.20 5.97 0.83 2.83 0.01 -1.26 -5.06 114.94 114.05 1ghk s ASN 61 Ca 0.49 0.00 -0.10 0.00 -0.71 0.00 0.00 52.86 52.54 1ghk s ASN 61 Cb -0.10 -1.69 0.09 0.00 0.41 0.00 0.00 41.25 39.96 1ghk s ASN 61 CO 0.41 0.02 1.11 -1.83 -1.51 0.00 0.00 177.10 175.31 1ghk s GLU 62 N -3.40 1.80 0.00 -0.60 4.04 -1.26 -2.92 118.70 116.35 1ghk s GLU 62 Ca 0.33 1.30 0.00 0.00 0.04 0.00 0.00 54.97 56.64 1ghk s GLU 62 Cb -0.10 -1.83 0.00 0.00 0.02 0.00 0.00 34.13 32.22 1ghk s GLU 62 CO 0.26 -2.01 0.00 0.41 -1.84 0.00 0.00 175.26 172.09 1ghk n GLY 63 N -0.71 2.27 4.00 -3.83 0.00 -1.24 -4.95 105.19 100.73 1ghk n GLY 63 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.61 5.53 0.27 1.61 2.15 -1.15 -4.87 116.67 116.60 1ghk s ASP 64 Ca 0.00 -0.51 -0.05 0.00 0.43 0.00 0.00 52.55 52.42 1ghk s ASP 64 Cb 0.00 -0.54 -0.05 0.00 -0.30 0.00 0.00 42.92 42.03 1ghk s ASP 64 CO 0.00 -0.82 0.54 0.28 -0.17 0.00 0.00 175.17 175.00 1ghk s THR 65 N -2.40 5.03 0.21 1.71 -1.32 -1.26 -1.51 115.64 116.09 1ghk s THR 65 Ca 0.55 0.10 0.02 0.00 -1.21 0.00 0.00 61.69 61.14 1ghk s THR 65 Cb -0.09 -3.71 -0.01 0.00 -1.51 0.00 0.00 72.50 67.19 1ghk s THR 65 CO 0.33 -0.26 0.06 1.33 -2.21 0.00 0.00 174.62 173.87 1ghk n VAL 66 N -0.76 0.00 -4.44 5.08 0.24 -0.82 -4.86 118.33 112.76 1ghk n VAL 66 Ca -0.02 -1.17 -0.21 0.00 -2.04 0.00 0.00 64.34 60.91 1ghk n VAL 66 Cb 0.54 0.39 -0.10 0.00 -1.47 0.00 0.00 33.84 33.19 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 2.10 -0.65 1.34 1.43 -1.26 -3.70 118.68 117.94 1ghk s LEU 67 Ca 0.09 -1.41 -0.27 0.00 -1.03 0.00 0.00 54.13 51.51 1ghk s LEU 67 Cb 0.00 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 1ghk s LEU 67 CO 0.06 -0.66 1.73 -0.55 0.23 0.00 0.00 176.35 177.16 1ghk s SER 68 N -3.48 5.48 0.00 2.29 0.15 -1.26 -2.15 113.70 114.72 1ghk s SER 68 Ca 0.35 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1ghk s SER 68 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1ghk s SER 68 CO 0.15 -2.26 0.00 0.61 1.20 0.00 0.00 173.24 172.94 1ghk n GLY 69 N 5.66 1.35 3.66 9.45 0.00 -1.20 -4.88 105.19 119.23 1ghk n GLY 69 Ca 0.17 0.00 -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 -0.27 4.19 -0.38 1.61 2.12 -0.92 -4.71 118.70 120.34 1ghk s GLU 70 Ca 0.00 1.60 -0.28 0.00 0.36 0.00 0.00 54.97 56.64 1ghk s GLU 70 Cb 0.00 -3.78 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1ghk s GLU 70 CO 0.00 -0.77 1.72 -1.17 -0.54 0.00 0.00 175.26 174.51 1ghk s LEU 71 N 3.62 3.50 0.10 2.70 2.96 -1.26 -1.53 118.68 128.76 1ghk s LEU 71 Ca 0.55 1.09 0.24 0.00 -0.22 0.00 0.00 54.13 55.79 1ghk s LEU 71 Cb -0.21 -3.40 0.40 0.00 0.50 0.00 0.00 46.19 43.48 1ghk s LEU 71 CO 0.15 -1.73 1.36 0.18 -1.32 0.00 0.00 176.35 174.99 1ghk n LEU 72 N 10.24 0.64 0.00 -0.68 4.77 -0.23 -4.47 117.00 127.27 1ghk n LEU 72 Ca 0.21 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1ghk n LEU 72 Cb 0.48 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1ghk n LEU 72 CO 0.69 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1ghk n GLY 73 N 1.37 -0.52 2.96 -0.72 0.00 -0.89 -2.21 105.19 105.18 1ghk n GLY 73 Ca 0.04 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 0.31 0.01 1.61 1.02 -1.26 -1.20 119.74 118.23 1ghk s LYS 74 Ca 0.00 -0.34 -0.14 0.00 0.02 0.00 0.00 55.97 55.50 1ghk s LYS 74 Cb 0.00 -0.17 -0.06 0.00 -0.52 0.00 0.00 37.83 37.09 1ghk s LYS 74 CO 0.00 0.04 0.41 -1.17 -0.92 0.00 0.00 175.35 173.70 1ghk s LEU 75 N -0.67 4.46 0.44 3.17 2.96 -0.88 -1.18 118.68 126.98 1ghk s LEU 75 Ca -0.05 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 54.88 1ghk s LEU 75 Cb -0.05 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1ghk s LEU 75 CO -0.00 0.31 0.23 -0.89 -1.32 0.00 0.00 176.35 174.67 1ghk s THR 76 N -1.11 2.16 0.00 3.68 2.01 -0.51 -3.09 115.64 118.78 1ghk s THR 76 Ca 0.25 -1.64 0.00 0.00 0.31 0.00 0.00 61.69 60.60 1ghk s THR 76 Cb -0.16 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1ghk s THR 76 CO 0.14 0.00 0.26 -0.62 -0.69 0.00 0.00 174.62 173.70 1ghk n GLU 77 N -1.36 0.00 0.00 4.92 1.02 -1.26 -3.01 120.64 120.94 1ghk n GLU 77 Ca -0.02 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1ghk n GLU 77 Cb 0.64 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 1.25 5.39 0.00 0.62 0.00 -1.26 -3.22 105.19 107.97 1ghk n GLY 78 Ca 0.00 -1.25 0.10 0.00 0.00 0.00 0.00 46.02 44.88 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93