#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 0.54 -0.04 0.00 1.09 -1.26 -4.99 121.20 116.53 1ghk s ILE 2 Ca 0.00 -0.24 -0.21 0.00 -1.10 0.00 0.00 60.65 59.11 1ghk s ILE 2 Cb 0.00 -0.83 -0.05 0.00 -1.06 0.00 0.00 42.46 40.53 1ghk s ILE 2 CO 0.00 0.07 0.59 -0.62 -0.10 0.00 0.00 174.94 174.89 1ghk s ASP 3 N 1.88 6.92 -0.25 3.58 2.15 -1.26 -1.36 116.67 128.33 1ghk s ASP 3 Ca 0.02 1.09 -0.11 0.00 0.43 0.00 0.00 52.55 53.99 1ghk s ASP 3 Cb -0.14 -2.36 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 1ghk s ASP 3 CO -0.07 0.03 0.16 -0.63 -0.17 0.00 0.00 175.17 174.50 1ghk s ILE 4 N 0.20 5.35 0.45 4.11 1.01 -0.96 -4.99 121.20 126.37 1ghk s ILE 4 Ca 0.31 0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.18 1ghk s ILE 4 Cb -0.17 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1ghk s ILE 4 CO 0.16 0.33 0.03 -0.54 0.00 0.00 0.00 174.94 174.92 1ghk s LYS 5 N 1.17 2.04 0.65 2.79 1.02 -1.26 -1.66 119.74 124.49 1ghk s LYS 5 Ca 0.07 -2.25 -0.11 0.00 0.02 0.00 0.00 55.97 53.71 1ghk s LYS 5 Cb -0.14 -1.31 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 1ghk s LYS 5 CO 0.05 -0.30 1.05 0.00 -0.92 0.00 0.00 175.35 175.24 1ghk s ALA 6 N -2.95 3.01 0.92 5.17 0.00 0.03 -4.85 121.76 123.10 1ghk s ALA 6 Ca 0.19 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 1ghk s ALA 6 Cb 0.04 -3.07 0.16 0.00 0.00 0.00 0.00 23.12 20.25 1ghk s ALA 6 CO 0.10 -0.86 1.22 -1.25 0.00 0.00 0.00 175.76 174.97 1ghk s PRO 7 N -5.22 1.00 -0.05 0.00 0.04 -1.26 -3.67 135.00 125.82 1ghk s PRO 7 Ca 0.56 -0.07 -0.17 0.00 0.04 0.00 0.00 61.00 61.36 1ghk s PRO 7 Cb -0.11 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1ghk s PRO 7 CO 0.53 -2.23 0.46 0.99 0.04 0.00 0.00 177.00 176.80 1ghk s THR 8 N -3.59 5.08 0.17 1.26 2.01 -1.26 -4.46 115.64 114.84 1ghk s THR 8 Ca 0.68 0.94 0.03 0.00 0.31 0.00 0.00 61.69 63.65 1ghk s THR 8 Cb -0.09 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1ghk s THR 8 CO 0.52 0.44 0.29 -0.36 -0.69 0.00 0.00 174.62 174.83 1ghk s PHE 9 N -0.18 3.47 0.00 4.92 0.08 -1.26 -5.11 117.98 119.90 1ghk s PHE 9 Ca 0.25 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.39 1ghk s PHE 9 Cb -0.16 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1ghk s PHE 9 CO 0.12 0.50 0.00 -0.35 -0.10 0.00 0.00 175.22 175.40 1ghk n PRO 10 N -0.69 1.01 -0.02 0.24 -0.04 -1.23 -4.93 135.00 129.34 1ghk n PRO 10 Ca -0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 1ghk n PRO 10 Cb 0.55 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 1ghk n PRO 10 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ghk h GLU 11 N 0.00 -0.08 -0.93 0.54 5.08 -2.02 -3.32 114.58 113.85 1ghk h GLU 11 Ca 0.00 0.01 0.27 0.00 -1.00 0.00 0.00 59.36 58.63 1ghk h GLU 11 Cb 0.00 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.11 1ghk h GLU 11 CO 0.00 0.07 0.17 1.03 -1.00 0.00 0.00 179.01 179.28 1ghk h SER 12 N -1.01 -0.19 -3.14 1.42 0.87 -2.04 -3.36 113.55 106.09 1ghk h SER 12 Ca -0.01 0.24 -0.66 0.00 -1.23 0.00 0.00 61.79 60.13 1ghk h SER 12 Cb 0.18 0.36 -0.13 0.00 -0.44 0.00 0.00 62.40 62.37 1ghk h SER 12 CO 0.01 -0.27 -0.57 -0.63 -0.53 0.00 0.00 176.83 174.84 1ghk s ILE 13 N -5.93 4.72 -0.12 2.23 -1.09 -1.25 -4.98 121.20 114.77 1ghk s ILE 13 Ca -0.12 -0.08 0.13 0.00 -2.23 0.00 0.00 60.65 58.35 1ghk s ILE 13 Cb 0.28 -3.05 0.23 0.00 -1.58 0.00 0.00 42.46 38.34 1ghk s ILE 13 CO 0.77 0.57 1.13 0.00 -1.23 0.00 0.00 174.94 176.18 1ghk n ALA 14 N 2.53 2.24 -3.07 9.38 0.00 -1.26 -3.55 120.51 126.78 1ghk n ALA 14 Ca -0.18 -2.09 0.01 0.00 0.00 0.00 0.00 53.44 51.17 1ghk n ALA 14 Cb 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.04 -0.13 -1.02 0.00 5.75 -1.26 -4.77 116.55 114.09 1ghk n ASP 15 Ca 0.12 -1.06 -0.00 0.00 -0.01 0.00 0.00 54.79 53.83 1ghk n ASP 15 Cb 0.54 0.20 -0.00 0.00 -1.03 0.00 0.00 41.12 40.83 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 -0.06 3.14 3.20 6.12 0.00 -0.58 -4.91 105.19 112.10 1ghk n GLY 16 Ca -0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.44 -0.11 0.74 2.61 2.01 -1.19 -1.56 115.64 115.71 1ghk s THR 17 Ca 0.00 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1ghk s THR 17 Cb -0.00 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.98 1ghk s THR 17 CO 0.00 0.05 0.95 0.52 -0.69 0.00 0.00 174.62 175.45 1ghk n VAL 18 N 4.42 2.54 0.00 3.82 0.31 -0.88 -0.74 118.33 127.79 1ghk n VAL 18 Ca -0.22 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1ghk n VAL 18 Cb 0.54 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 -2.65 0.00 -3.64 3.52 0.00 -0.80 -4.17 120.51 112.78 1ghk n ALA 19 Ca 0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 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 -0.70 0.00 -1.13 0.00 2.01 -1.25 -4.61 115.64 109.96 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 1.34 0.26 -0.69 0.00 0.00 174.62 175.53 1ghk s TRP 21 N 1.31 3.41 0.08 4.92 0.52 -1.26 -2.92 118.94 125.00 1ghk s TRP 21 Ca -0.07 -1.94 -0.17 0.00 0.02 0.00 0.00 56.10 53.94 1ghk s TRP 21 Cb -0.05 -4.29 -0.05 0.00 -1.15 0.00 0.00 33.47 27.93 1ghk s TRP 21 CO -0.15 -1.41 1.28 0.45 0.02 0.00 0.00 176.95 177.15 1ghk h HIS 22 N 7.62 -0.93 -5.95 -1.98 3.86 -1.97 -3.41 115.15 112.37 1ghk h HIS 22 Ca 0.27 0.06 -0.45 0.00 -1.16 0.00 0.00 60.37 59.08 1ghk h HIS 22 Cb 0.92 0.46 0.05 0.00 1.06 0.00 0.00 27.41 29.90 1ghk h HIS 22 CO 1.11 -0.22 0.02 1.63 0.86 0.00 0.00 177.93 181.34 1ghk n LYS 23 N -4.12 0.27 -4.48 2.45 4.01 -1.26 -5.13 118.16 109.90 1ghk n LYS 23 Ca -0.00 -2.79 -0.23 0.00 -0.51 0.00 0.00 58.31 54.78 1ghk n LYS 23 Cb 0.15 -0.43 -0.11 0.00 -0.51 0.00 0.00 35.03 34.13 1ghk n LYS 23 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1ghk s LYS 24 N -4.75 1.68 -0.11 1.97 1.02 -1.26 -5.03 119.74 113.25 1ghk s LYS 24 Ca 0.61 -1.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.39 1ghk s LYS 24 Cb -0.04 -1.10 -0.02 0.00 -0.52 0.00 0.00 37.83 36.15 1ghk s LYS 24 CO 0.39 -0.10 1.17 -1.25 -0.92 0.00 0.00 175.35 174.65 1ghk s PRO 25 N -3.81 4.32 0.00 -1.68 0.04 -1.26 -3.58 135.00 129.03 1ghk s PRO 25 Ca 0.34 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1ghk s PRO 25 Cb 0.08 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1ghk s PRO 25 CO 0.15 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1ghk n GLY 26 N 3.38 1.48 0.93 0.56 0.00 -1.26 -4.89 105.19 105.40 1ghk n GLY 26 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.47 1.62 -3.84 1.61 -0.58 -1.24 -5.00 120.64 112.74 1ghk n GLU 27 Ca 0.00 -0.93 -0.28 0.00 -0.42 0.00 0.00 57.16 55.54 1ghk n GLU 27 Cb 0.00 0.22 -0.03 0.00 -0.57 0.00 0.00 31.44 31.06 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 -2.22 3.92 0.10 0.62 0.00 -1.26 -4.39 121.76 118.54 1ghk s ALA 28 Ca 0.01 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1ghk s ALA 28 Cb -0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1ghk s ALA 28 CO 0.01 0.57 -0.01 0.54 0.00 0.00 0.00 175.76 176.87 1ghk s VAL 29 N -1.73 0.35 -0.06 0.00 0.11 -1.26 -5.05 120.40 112.76 1ghk s VAL 29 Ca 0.36 -1.89 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 1ghk s VAL 29 Cb -0.11 -1.80 0.02 0.00 -1.53 0.00 0.00 36.38 32.95 1ghk s VAL 29 CO 0.28 -0.73 -0.03 -0.75 -3.33 0.00 0.00 175.10 170.54 1ghk s LYS 30 N -3.94 0.78 0.43 1.54 2.47 -1.26 -4.24 119.74 115.52 1ghk s LYS 30 Ca 0.16 -0.04 -0.21 0.00 -1.56 0.00 0.00 55.97 54.32 1ghk s LYS 30 Cb 0.07 -0.91 -0.14 0.00 -1.46 0.00 0.00 37.83 35.39 1ghk s LYS 30 CO -0.03 -0.16 0.26 -2.13 0.16 0.00 0.00 175.35 173.44 1ghk n ARG 31 N 4.44 0.22 -2.36 4.03 0.63 -1.26 -2.35 116.66 120.00 1ghk n ARG 31 Ca -0.19 0.08 -0.05 0.00 -0.92 0.00 0.00 57.85 56.77 1ghk n ARG 31 Cb 0.50 -1.22 0.01 0.00 0.45 0.00 0.00 32.46 32.21 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 1.86 -2.54 -3.73 6.15 2.03 -1.21 -4.97 116.55 114.14 1ghk n ASP 32 Ca 0.11 -0.05 -0.19 0.00 0.52 0.00 0.00 54.79 55.18 1ghk n ASP 32 Cb 0.41 -1.58 -0.17 0.00 -0.72 0.00 0.00 41.12 39.05 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 -4.67 0.11 0.85 -0.67 2.12 -0.99 -5.01 118.70 110.43 1ghk s GLU 33 Ca 0.06 0.24 -0.17 0.00 0.36 0.00 0.00 54.97 55.46 1ghk s GLU 33 Cb -0.02 -0.54 -0.11 0.00 0.26 0.00 0.00 34.13 33.72 1ghk s GLU 33 CO 0.07 -0.26 -0.33 -0.11 -0.54 0.00 0.00 175.26 174.09 1ghk n LEU 34 N 4.86 -3.91 0.00 2.70 7.94 -1.26 -2.95 117.00 124.37 1ghk n LEU 34 Ca -0.12 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1ghk n LEU 34 Cb 0.50 -0.89 0.00 0.00 0.53 0.00 0.00 43.42 43.56 1ghk n LEU 34 CO 0.13 -5.10 -0.02 -0.38 -1.11 0.00 0.00 177.39 170.91 1ghk n ILE 35 N -2.40 0.00 -3.64 1.96 2.08 0.26 -4.70 119.36 112.91 1ghk n ILE 35 Ca 0.03 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.24 1ghk n ILE 35 Cb 0.53 -0.03 -0.07 0.00 -0.75 0.00 0.00 39.64 39.32 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 -1.04 0.00 0.24 1.39 0.11 -0.99 -3.95 120.40 116.15 1ghk s VAL 36 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1ghk s VAL 36 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1ghk s VAL 36 CO 0.00 0.00 0.38 -1.81 -3.33 0.00 0.00 175.10 170.34 1ghk s ASP 37 N 0.36 6.33 0.15 3.54 1.11 -1.15 -0.09 116.67 126.91 1ghk s ASP 37 Ca 0.02 0.19 0.08 0.00 0.18 0.00 0.00 52.55 53.02 1ghk s ASP 37 Cb -0.05 -1.92 -0.04 0.00 1.07 0.00 0.00 42.92 41.98 1ghk s ASP 37 CO -0.06 -0.09 -0.19 -0.63 1.18 0.00 0.00 175.17 175.38 1ghk s ILE 38 N -1.99 1.79 -0.20 0.77 1.01 -0.98 -1.90 121.20 119.70 1ghk s ILE 38 Ca 0.36 -1.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.16 1ghk s ILE 38 Cb -0.10 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1ghk s ILE 38 CO 0.30 -0.24 -0.02 -0.70 0.00 0.00 0.00 174.94 174.28 1ghk s GLU 39 N -2.53 3.53 0.00 2.79 2.12 0.08 -1.29 118.70 123.40 1ghk s GLU 39 Ca 0.13 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1ghk s GLU 39 Cb -0.07 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1ghk s GLU 39 CO 0.06 -0.04 0.00 0.25 -0.54 0.00 0.00 175.26 174.99 1ghk n THR 40 N 4.37 0.00 -0.10 -1.70 -2.24 -0.58 -3.14 114.28 110.90 1ghk n THR 40 Ca -0.17 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 1ghk n THR 40 Cb 0.52 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.67 0.00 3.42 3.58 -1.99 -3.35 116.42 117.41 1ghk h ASP 41 Ca 0.00 0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.44 1ghk h ASP 41 Cb 0.00 0.29 -0.22 0.00 1.72 0.00 0.00 39.33 41.12 1ghk h ASP 41 CO 0.00 -0.10 -0.74 0.29 -2.88 0.00 0.00 179.24 175.81 1ghk n LYS 42 N -3.67 0.00 -4.09 0.28 5.02 -1.26 -5.08 118.16 109.36 1ghk n LYS 42 Ca -0.00 -1.48 -0.16 0.00 -2.02 0.00 0.00 58.31 54.65 1ghk n LYS 42 Cb 0.10 -0.12 -0.15 0.00 -0.02 0.00 0.00 35.03 34.84 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 0.34 -0.28 -0.18 1.01 -1.26 -5.12 120.40 114.92 1ghk s VAL 43 Ca 0.18 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 1ghk s VAL 43 Cb 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 1ghk s VAL 43 CO -0.09 0.13 0.38 -0.69 0.00 0.00 0.00 175.10 174.83 1ghk s VAL 44 N 0.26 5.16 0.72 2.92 1.01 -1.26 -1.52 120.40 127.69 1ghk s VAL 44 Ca -0.03 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1ghk s VAL 44 Cb -0.06 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.73 1ghk s VAL 44 CO -0.00 0.11 0.99 -0.04 0.00 0.00 0.00 175.10 176.16 1ghk s MET 45 N 2.09 1.65 0.06 2.72 -1.94 -0.41 -4.91 119.30 118.55 1ghk s MET 45 Ca 0.15 -1.33 0.04 0.00 -1.71 0.00 0.00 55.69 52.85 1ghk s MET 45 Cb -0.16 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 1ghk s MET 45 CO 0.10 -1.46 -0.12 -1.83 -0.01 0.00 0.00 175.02 171.70 1ghk s GLU 46 N -5.10 0.76 -0.27 2.03 -1.05 -1.26 -2.33 118.70 111.48 1ghk s GLU 46 Ca 0.67 -0.85 0.02 0.00 -0.15 0.00 0.00 54.97 54.67 1ghk s GLU 46 Cb -0.04 -0.71 0.07 0.00 -0.44 0.00 0.00 34.13 33.00 1ghk s GLU 46 CO 0.44 0.16 -0.06 0.08 0.95 0.00 0.00 175.26 176.83 1ghk s VAL 47 N -1.18 1.97 0.15 1.83 1.01 0.87 -4.89 120.40 120.16 1ghk s VAL 47 Ca -0.03 -1.64 -0.00 0.00 0.00 0.00 0.00 61.98 60.31 1ghk s VAL 47 Cb -0.09 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1ghk s VAL 47 CO 0.02 -0.17 0.32 -0.76 0.00 0.00 0.00 175.10 174.51 1ghk s LEU 48 N 1.16 4.29 0.34 3.92 1.02 -1.26 -0.58 118.68 127.57 1ghk s LEU 48 Ca -0.04 0.34 -0.26 0.00 0.02 0.00 0.00 54.13 54.18 1ghk s LEU 48 Cb -0.19 -3.08 -0.09 0.00 0.02 0.00 0.00 46.19 42.85 1ghk s LEU 48 CO -0.06 0.04 1.02 0.00 0.02 0.00 0.00 176.35 177.36 1ghk s ALA 49 N -1.73 3.22 -1.12 4.21 0.00 -1.15 -4.87 121.76 120.31 1ghk s ALA 49 Ca 0.37 0.68 0.15 0.00 0.00 0.00 0.00 51.96 53.16 1ghk s ALA 49 Cb -0.12 -3.25 0.61 0.00 0.00 0.00 0.00 23.12 20.36 1ghk s ALA 49 CO 0.28 -0.05 1.49 0.39 0.00 0.00 0.00 175.76 177.87 1ghk n GLU 50 N 0.53 3.38 0.00 0.00 -0.58 -1.26 -3.35 120.64 119.36 1ghk n GLU 50 Ca 0.02 -2.40 0.00 0.00 -0.42 0.00 0.00 57.16 54.36 1ghk n GLU 50 Cb 0.48 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.86 0.00 -1.16 0.62 0.00 -1.26 -4.97 120.51 114.60 1ghk n ALA 51 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1ghk n ALA 51 Cb 0.79 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.43 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 2.33 0.00 0.00 -1.08 -1.26 -4.51 116.67 112.15 1ghk s ASP 52 Ca 0.00 1.08 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 1ghk s ASP 52 Cb 0.00 -1.69 0.00 0.00 -1.46 0.00 0.00 42.92 39.77 1ghk s ASP 52 CO 0.00 -3.30 0.00 0.61 0.52 0.00 0.00 175.17 173.00 1ghk n GLY 53 N -1.09 -0.33 2.82 2.66 0.00 -1.26 -4.84 105.19 103.14 1ghk n GLY 53 Ca 0.06 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.00 0.41 0.74 1.61 1.01 -1.26 -4.18 120.40 114.73 1ghk s VAL 54 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1ghk s VAL 54 Cb 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1ghk s VAL 54 CO 0.00 0.23 1.09 -0.63 0.00 0.00 0.00 175.10 175.80 1ghk s ILE 55 N 1.48 3.34 -0.09 2.22 -1.09 -1.26 -0.63 121.20 125.17 1ghk s ILE 55 Ca -0.02 0.48 -0.08 0.00 -2.23 0.00 0.00 60.65 58.79 1ghk s ILE 55 Cb -0.13 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 1ghk s ILE 55 CO -0.03 -0.53 -0.15 0.00 -1.23 0.00 0.00 174.94 173.00 1ghk n ALA 56 N -3.26 0.37 -3.65 9.38 0.00 -0.19 -4.02 120.51 119.15 1ghk n ALA 56 Ca 0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.08 1ghk n ALA 56 Cb 0.53 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.88 0.04 -0.21 0.00 -1.05 -1.26 -4.63 118.70 109.71 1ghk s GLU 57 Ca -0.12 0.02 -0.11 0.00 -0.15 0.00 0.00 54.97 54.61 1ghk s GLU 57 Cb 0.02 0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.68 1ghk s GLU 57 CO 0.18 -0.01 0.18 0.42 0.95 0.00 0.00 175.26 176.99 1ghk s ILE 58 N -0.63 5.36 -0.04 1.83 -1.09 -1.26 -3.87 121.20 121.49 1ghk s ILE 58 Ca 0.09 0.27 0.13 0.00 -2.23 0.00 0.00 60.65 58.90 1ghk s ILE 58 Cb -0.02 -3.52 -0.23 0.00 -1.58 0.00 0.00 42.46 37.10 1ghk s ILE 58 CO -0.11 0.38 0.67 0.52 -1.23 0.00 0.00 174.94 175.17 1ghk n VAL 59 N 3.93 1.61 -3.40 2.92 0.31 -0.58 -4.88 118.33 118.24 1ghk n VAL 59 Ca -0.14 -0.79 -0.33 0.00 -0.01 0.00 0.00 64.34 63.06 1ghk n VAL 59 Cb 0.52 -1.04 -0.05 0.00 -0.91 0.00 0.00 33.84 32.35 1ghk n VAL 59 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ghk s LYS 60 N -2.60 3.86 0.20 5.55 2.47 -1.26 -5.09 119.74 122.87 1ghk s LYS 60 Ca -0.05 0.34 0.08 0.00 -1.56 0.00 0.00 55.97 54.78 1ghk s LYS 60 Cb 0.08 -2.76 -0.04 0.00 -1.46 0.00 0.00 37.83 33.65 1ghk s LYS 60 CO 0.82 0.38 0.03 -0.80 0.16 0.00 0.00 175.35 175.94 1ghk s ASN 61 N -2.12 4.85 0.36 1.43 0.01 -1.26 -5.06 114.94 113.15 1ghk s ASN 61 Ca 0.44 -0.42 -0.28 0.00 -0.71 0.00 0.00 52.86 51.89 1ghk s ASN 61 Cb -0.13 -1.05 -0.11 0.00 0.41 0.00 0.00 41.25 40.38 1ghk s ASN 61 CO 0.20 0.06 1.50 -1.61 -1.51 0.00 0.00 177.10 175.74 1ghk s GLU 62 N -3.20 4.11 0.00 -0.60 8.01 -1.26 -2.00 118.70 123.77 1ghk s GLU 62 Ca 0.29 2.57 0.00 0.00 0.01 0.00 0.00 54.97 57.84 1ghk s GLU 62 Cb -0.09 -2.98 0.00 0.00 -4.31 0.00 0.00 34.13 26.76 1ghk s GLU 62 CO 0.20 -0.54 0.00 0.41 0.01 0.00 0.00 175.26 175.33 1ghk n GLY 63 N 0.74 0.75 3.90 -1.39 0.00 -1.26 -5.05 105.19 102.89 1ghk n GLY 63 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.50 5.12 0.14 1.61 -1.08 -0.85 -4.95 116.67 114.16 1ghk s ASP 64 Ca 0.00 -0.73 0.03 0.00 -0.52 0.00 0.00 52.55 51.34 1ghk s ASP 64 Cb 0.00 -0.51 -0.04 0.00 -1.46 0.00 0.00 42.92 40.92 1ghk s ASP 64 CO 0.00 -0.71 0.22 0.28 0.52 0.00 0.00 175.17 175.47 1ghk s THR 65 N -2.48 5.01 -0.04 1.71 -1.32 -1.26 -2.06 115.64 115.20 1ghk s THR 65 Ca 0.49 -0.80 0.03 0.00 -1.21 0.00 0.00 61.69 60.20 1ghk s THR 65 Cb -0.04 -3.55 0.01 0.00 -1.51 0.00 0.00 72.50 67.40 1ghk s THR 65 CO 0.29 -0.07 -0.11 0.68 -2.21 0.00 0.00 174.62 173.20 1ghk s VAL 66 N -1.71 0.94 0.57 5.08 -7.23 -0.60 -4.88 120.40 112.56 1ghk s VAL 66 Ca 0.33 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1ghk s VAL 66 Cb -0.11 -0.85 0.04 0.00 0.56 0.00 0.00 36.38 36.02 1ghk s VAL 66 CO 0.26 0.29 0.80 -0.76 -0.31 0.00 0.00 175.10 175.39 1ghk s LEU 67 N 0.35 3.23 0.46 1.32 1.02 -1.26 -1.53 118.68 122.27 1ghk s LEU 67 Ca -0.07 0.04 -0.25 0.00 0.02 0.00 0.00 54.13 53.88 1ghk s LEU 67 Cb -0.11 -2.90 -0.08 0.00 0.02 0.00 0.00 46.19 43.12 1ghk s LEU 67 CO 0.01 -1.18 1.41 -0.24 0.02 0.00 0.00 176.35 176.37 1ghk n SER 68 N -2.40 3.17 -0.20 2.29 2.88 -1.26 -1.07 113.62 117.02 1ghk n SER 68 Ca 0.08 1.10 -0.03 0.00 -1.33 0.00 0.00 58.87 58.69 1ghk n SER 68 Cb 0.60 -1.59 -0.01 0.00 -0.75 0.00 0.00 64.21 62.46 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 0.63 0.43 3.66 0.46 0.00 -1.24 -4.90 105.19 104.23 1ghk n GLY 69 Ca 0.06 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.61 4.21 -0.41 1.61 2.56 -0.23 -4.66 118.70 120.18 1ghk s GLU 70 Ca 0.00 1.98 -0.29 0.00 0.00 0.00 0.00 54.97 56.66 1ghk s GLU 70 Cb 0.00 -3.86 0.02 0.00 2.00 0.00 0.00 34.13 32.29 1ghk s GLU 70 CO 0.00 -0.77 1.23 -1.17 -0.56 0.00 0.00 175.26 173.99 1ghk s LEU 71 N 3.66 3.71 0.22 2.70 0.20 -1.26 -0.79 118.68 127.12 1ghk s LEU 71 Ca 0.66 0.78 0.21 0.00 0.69 0.00 0.00 54.13 56.47 1ghk s LEU 71 Cb -0.29 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 41.95 1ghk s LEU 71 CO 0.24 -1.21 1.10 -0.07 -0.29 0.00 0.00 176.35 176.11 1ghk h LEU 72 N 11.24 0.00 0.00 -0.68 3.38 -1.64 -3.42 115.31 124.19 1ghk h LEU 72 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ghk h LEU 72 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ghk h LEU 72 CO 1.09 0.11 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1ghk n GLY 73 N 1.21 -1.65 3.03 0.83 0.00 -1.23 -1.52 105.19 105.85 1ghk n GLY 73 Ca -0.01 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.65 0.44 0.26 1.61 3.01 -1.25 -2.27 119.74 119.90 1ghk s LYS 74 Ca 0.00 -0.85 -0.02 0.00 -1.01 0.00 0.00 55.97 54.08 1ghk s LYS 74 Cb 0.00 0.11 -0.04 0.00 -1.01 0.00 0.00 37.83 36.89 1ghk s LYS 74 CO 0.00 -0.06 0.48 -1.17 0.51 0.00 0.00 175.35 175.11 1ghk s LEU 75 N -2.03 4.13 0.44 3.17 2.96 -0.46 -1.02 118.68 125.87 1ghk s LEU 75 Ca -0.07 0.52 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 1ghk s LEU 75 Cb -0.03 -3.33 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1ghk s LEU 75 CO -0.04 -0.15 0.42 -0.89 -1.32 0.00 0.00 176.35 174.37 1ghk s THR 76 N -2.03 2.54 0.32 3.68 2.01 0.20 -4.26 115.64 118.11 1ghk s THR 76 Ca 0.41 -1.31 -0.26 0.00 0.31 0.00 0.00 61.69 60.83 1ghk s THR 76 Cb -0.11 -2.85 -0.10 0.00 0.01 0.00 0.00 72.50 69.46 1ghk s THR 76 CO 0.31 0.00 0.97 -1.61 -0.69 0.00 0.00 174.62 173.60 1ghk s GLU 77 N -4.20 4.55 0.48 4.92 2.02 -1.26 -4.39 118.70 120.82 1ghk s GLU 77 Ca 0.48 1.42 0.07 0.00 0.02 0.00 0.00 54.97 56.96 1ghk s GLU 77 Cb -0.04 -2.85 0.07 0.00 0.10 0.00 0.00 34.13 31.42 1ghk s GLU 77 CO 0.28 0.23 0.59 0.41 0.02 0.00 0.00 175.26 176.79 1ghk n GLY 78 N 0.68 2.17 3.30 -1.39 0.00 -1.26 -4.60 105.19 104.09 1ghk n GLY 78 Ca 0.02 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93