#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 -0.03 0.08 0.00 -5.25 -1.26 -5.03 121.20 109.71 1ghk s ILE 2 Ca 0.00 0.11 -0.30 0.00 -0.99 0.00 0.00 60.65 59.47 1ghk s ILE 2 Cb 0.00 -0.24 -0.05 0.00 2.95 0.00 0.00 42.46 45.12 1ghk s ILE 2 CO 0.00 0.04 0.95 -0.62 -1.79 0.00 0.00 174.94 173.52 1ghk s ASP 3 N 0.75 7.44 -0.46 4.36 -1.08 -1.26 -2.38 116.67 124.04 1ghk s ASP 3 Ca -0.06 1.73 -0.18 0.00 -0.52 0.00 0.00 52.55 53.53 1ghk s ASP 3 Cb -0.07 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 38.86 1ghk s ASP 3 CO -0.04 -0.11 0.49 -0.63 0.52 0.00 0.00 175.17 175.41 1ghk s ILE 4 N 0.25 5.04 0.44 4.11 1.01 -0.29 -4.97 121.20 126.80 1ghk s ILE 4 Ca 0.47 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.66 1ghk s ILE 4 Cb -0.22 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 1ghk s ILE 4 CO 0.29 -0.57 0.02 -0.54 0.00 0.00 0.00 174.94 174.13 1ghk s LYS 5 N 2.21 2.01 0.46 2.79 1.02 -1.26 -2.35 119.74 124.62 1ghk s LYS 5 Ca 0.12 -2.20 -0.21 0.00 0.02 0.00 0.00 55.97 53.70 1ghk s LYS 5 Cb -0.19 -1.48 -0.09 0.00 -0.52 0.00 0.00 37.83 35.55 1ghk s LYS 5 CO 0.12 -0.19 1.02 0.00 -0.92 0.00 0.00 175.35 175.38 1ghk s ALA 6 N -2.85 2.94 0.16 5.17 0.00 -0.74 -4.91 121.76 121.53 1ghk s ALA 6 Ca 0.24 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1ghk s ALA 6 Cb 0.07 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 1ghk s ALA 6 CO 0.12 -0.21 1.02 -1.25 0.00 0.00 0.00 175.76 175.44 1ghk s PRO 7 N -3.07 4.67 -0.22 0.00 0.04 -1.26 -4.29 135.00 130.88 1ghk s PRO 7 Ca 0.64 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 1ghk s PRO 7 Cb -0.16 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 30.98 1ghk s PRO 7 CO 0.20 0.19 2.15 -2.37 0.04 0.00 0.00 177.00 177.21 1ghk n THR 8 N 2.43 0.37 -1.36 1.26 5.66 -1.26 -4.83 114.28 116.54 1ghk n THR 8 Ca 0.02 -0.33 -0.32 0.00 -3.05 0.00 0.00 64.05 60.37 1ghk n THR 8 Cb 0.48 -2.19 0.09 0.00 -1.55 0.00 0.00 70.33 67.15 1ghk n THR 8 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1ghk s PHE 9 N 7.12 2.37 0.00 1.09 0.08 -1.26 -5.04 117.98 122.34 1ghk s PHE 9 Ca 1.01 1.60 0.00 0.00 0.12 0.00 0.00 56.93 59.66 1ghk s PHE 9 Cb -0.54 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 1ghk s PHE 9 CO 0.42 -2.04 0.00 -0.35 -0.10 0.00 0.00 175.22 173.15 1ghk n PRO 10 N -3.14 1.08 -0.04 0.24 -0.04 -1.21 -4.95 135.00 126.93 1ghk n PRO 10 Ca 0.11 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ghk n PRO 10 Cb 0.52 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.00 -0.89 0.54 4.81 -2.03 -3.35 114.58 113.66 1ghk h GLU 11 Ca 0.00 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1ghk h GLU 11 Cb 0.00 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.22 1ghk h GLU 11 CO 0.00 0.00 -0.02 1.03 -0.73 0.00 0.00 179.01 179.29 1ghk h SER 12 N -0.81 -0.49 -3.26 1.04 0.87 -2.04 -3.35 113.55 105.51 1ghk h SER 12 Ca 0.00 0.25 -0.60 0.00 -1.23 0.00 0.00 61.79 60.21 1ghk h SER 12 Cb 0.00 0.45 -0.12 0.00 -0.44 0.00 0.00 62.40 62.29 1ghk h SER 12 CO 0.00 -0.28 -0.48 -0.63 -0.53 0.00 0.00 176.83 174.91 1ghk s ILE 13 N -6.09 5.41 -0.21 2.23 1.01 -1.26 -4.97 121.20 117.33 1ghk s ILE 13 Ca -0.13 0.21 0.12 0.00 0.00 0.00 0.00 60.65 60.84 1ghk s ILE 13 Cb 0.26 -3.48 0.41 0.00 0.01 0.00 0.00 42.46 39.67 1ghk s ILE 13 CO 0.77 0.44 1.25 0.00 0.00 0.00 0.00 174.94 177.40 1ghk n ALA 14 N 3.50 3.52 0.00 9.38 0.00 -1.26 -3.36 120.51 132.30 1ghk n ALA 14 Ca -0.16 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.13 1ghk n ALA 14 Cb 0.52 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.16 0.00 -1.74 0.00 5.68 -1.26 -4.92 116.55 113.15 1ghk n ASP 15 Ca 0.21 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.48 1ghk n ASP 15 Cb 0.74 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.72 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 -0.01 1.30 3.17 6.12 0.00 -1.23 -4.90 105.19 109.64 1ghk n GLY 16 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.51 -0.41 0.85 2.61 2.01 -0.59 -2.22 115.64 115.37 1ghk s THR 17 Ca 0.07 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 1ghk s THR 17 Cb -0.01 -0.56 -0.10 0.00 0.01 0.00 0.00 72.50 71.84 1ghk s THR 17 CO 0.03 0.08 -0.22 0.52 -0.69 0.00 0.00 174.62 174.34 1ghk n VAL 18 N 5.07 0.32 0.00 3.82 0.31 -0.65 -0.78 118.33 126.42 1ghk n VAL 18 Ca -0.12 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1ghk n VAL 18 Cb 0.51 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 -2.48 0.77 -3.62 3.52 0.00 -0.42 -4.12 120.51 114.15 1ghk n ALA 19 Ca 0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1ghk n ALA 19 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.51 -0.00 -1.09 0.00 2.01 -1.24 -4.41 115.64 110.40 1ghk s THR 20 Ca 0.00 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1ghk s THR 20 Cb 0.00 -0.95 0.16 0.00 0.01 0.00 0.00 72.50 71.72 1ghk s THR 20 CO 0.00 0.00 1.29 0.26 -0.69 0.00 0.00 174.62 175.49 1ghk s TRP 21 N 1.01 3.35 0.10 4.92 0.52 -1.26 -2.72 118.94 124.85 1ghk s TRP 21 Ca -0.05 -1.83 -0.22 0.00 0.02 0.00 0.00 56.10 54.02 1ghk s TRP 21 Cb -0.05 -4.29 -0.06 0.00 -1.15 0.00 0.00 33.47 27.92 1ghk s TRP 21 CO -0.09 -1.42 1.37 0.45 0.02 0.00 0.00 176.95 177.27 1ghk h HIS 22 N 7.86 -1.22 -3.73 -1.98 3.86 -1.95 -3.41 115.15 114.57 1ghk h HIS 22 Ca 0.25 0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 1ghk h HIS 22 Cb 0.94 0.59 0.02 0.00 1.06 0.00 0.00 27.41 30.02 1ghk h HIS 22 CO 1.12 -0.29 0.02 1.63 0.86 0.00 0.00 177.93 181.28 1ghk n LYS 23 N -4.51 0.46 -4.21 2.45 4.01 -1.26 -5.12 118.16 109.98 1ghk n LYS 23 Ca -0.01 -0.58 -0.12 0.00 -0.51 0.00 0.00 58.31 57.09 1ghk n LYS 23 Cb 0.20 -0.14 -0.10 0.00 -0.51 0.00 0.00 35.03 34.48 1ghk n LYS 23 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1ghk s LYS 24 N -2.96 1.03 -0.98 1.97 0.00 -1.26 -5.03 119.74 112.50 1ghk s LYS 24 Ca 0.14 -1.49 -0.23 0.00 0.00 0.00 0.00 55.97 54.38 1ghk s LYS 24 Cb -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 37.83 37.74 1ghk s LYS 24 CO 0.09 -0.16 1.56 -1.25 0.00 0.00 0.00 175.35 175.59 1ghk s PRO 25 N -3.95 3.34 0.00 1.78 0.04 -1.26 -3.33 135.00 131.61 1ghk s PRO 25 Ca 0.23 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.38 1ghk s PRO 25 Cb 0.07 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1ghk s PRO 25 CO 0.03 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1ghk n GLY 26 N 6.83 0.16 0.97 0.56 0.00 -1.26 -4.81 105.19 107.64 1ghk n GLY 26 Ca 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 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 0.56 -4.06 1.61 -0.58 -1.21 -4.97 120.64 111.99 1ghk n GLU 27 Ca 0.00 -0.71 -0.31 0.00 -0.42 0.00 0.00 57.16 55.72 1ghk n GLU 27 Cb 0.00 -0.14 -0.06 0.00 -0.57 0.00 0.00 31.44 30.67 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 -2.69 3.59 0.47 0.62 0.00 -1.26 -4.25 121.76 118.24 1ghk s ALA 28 Ca 0.16 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1ghk s ALA 28 Cb -0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1ghk s ALA 28 CO 0.11 0.74 0.01 0.14 0.00 0.00 0.00 175.76 176.76 1ghk s VAL 29 N -1.35 1.39 -0.07 0.00 -7.23 -1.24 -5.06 120.40 106.84 1ghk s VAL 29 Ca 0.28 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1ghk s VAL 29 Cb -0.12 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1ghk s VAL 29 CO 0.21 0.00 -0.15 -0.75 -0.31 0.00 0.00 175.10 174.10 1ghk s LYS 30 N -3.82 1.92 0.28 4.82 2.36 -1.26 -4.20 119.74 119.83 1ghk s LYS 30 Ca 0.16 -0.51 -0.26 0.00 -2.55 0.00 0.00 55.97 52.81 1ghk s LYS 30 Cb 0.04 -1.56 -0.16 0.00 -1.05 0.00 0.00 37.83 35.11 1ghk s LYS 30 CO 0.08 0.07 0.57 -2.13 1.55 0.00 0.00 175.35 175.49 1ghk n ARG 31 N 3.69 0.36 -3.15 4.03 0.63 -1.26 -1.84 116.66 119.12 1ghk n ARG 31 Ca -0.22 0.13 -0.15 0.00 -0.92 0.00 0.00 57.85 56.69 1ghk n ARG 31 Cb 0.52 -1.24 0.06 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 1.79 -3.43 -3.80 6.15 -0.08 -0.97 -4.89 116.55 111.31 1ghk n ASP 32 Ca 0.14 -0.42 -0.20 0.00 -1.51 0.00 0.00 54.79 52.80 1ghk n ASP 32 Cb 0.30 -3.82 -0.17 0.00 2.34 0.00 0.00 41.12 39.78 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 -5.41 0.47 0.56 -0.67 2.12 -0.77 -4.99 118.70 110.02 1ghk s GLU 33 Ca 0.19 0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.43 1ghk s GLU 33 Cb -0.08 -0.74 -0.13 0.00 0.26 0.00 0.00 34.13 33.44 1ghk s GLU 33 CO 0.53 -0.21 0.02 -0.11 -0.54 0.00 0.00 175.26 174.95 1ghk n LEU 34 N 4.65 -2.51 0.00 2.70 7.94 -1.26 -3.06 117.00 125.46 1ghk n LEU 34 Ca -0.16 0.64 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1ghk n LEU 34 Cb 0.50 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.51 1ghk n LEU 34 CO 0.16 -4.36 -0.01 -0.38 -1.11 0.00 0.00 177.39 171.68 1ghk n ILE 35 N -1.67 0.00 -3.68 1.96 5.41 0.54 -4.78 119.36 117.14 1ghk n ILE 35 Ca 0.08 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.74 1ghk n ILE 35 Cb 0.48 -0.01 -0.09 0.00 -0.71 0.00 0.00 39.64 39.30 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 -1.03 -0.01 0.16 1.39 0.11 -0.74 -3.66 120.40 116.61 1ghk s VAL 36 Ca 0.00 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 1ghk s VAL 36 Cb 0.00 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 1ghk s VAL 36 CO 0.00 0.02 0.35 -1.81 -3.33 0.00 0.00 175.10 170.33 1ghk s ASP 37 N 1.35 6.42 0.06 3.54 1.01 -1.10 -1.16 116.67 126.78 1ghk s ASP 37 Ca -0.09 0.44 0.07 0.00 0.71 0.00 0.00 52.55 53.69 1ghk s ASP 37 Cb -0.07 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 1ghk s ASP 37 CO -0.14 0.03 -0.17 -0.63 0.21 0.00 0.00 175.17 174.47 1ghk s ILE 38 N -1.73 2.85 -0.29 0.77 1.01 -0.45 -1.30 121.20 122.05 1ghk s ILE 38 Ca 0.39 -1.27 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1ghk s ILE 38 Cb -0.12 -2.24 0.04 0.00 0.01 0.00 0.00 42.46 40.15 1ghk s ILE 38 CO 0.27 0.26 0.00 -0.70 0.00 0.00 0.00 174.94 174.78 1ghk s GLU 39 N -1.67 2.60 0.00 2.79 -6.30 0.04 -2.09 118.70 114.07 1ghk s GLU 39 Ca 0.16 -1.16 0.00 0.00 -2.50 0.00 0.00 54.97 51.47 1ghk s GLU 39 Cb -0.11 -3.19 0.00 0.00 0.00 0.00 0.00 34.13 30.84 1ghk s GLU 39 CO 0.07 -0.56 0.00 -2.37 0.02 0.00 0.00 175.26 172.42 1ghk n THR 40 N 4.68 0.00 0.00 -1.70 5.66 -0.80 -1.55 114.28 120.57 1ghk n THR 40 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1ghk n THR 40 Cb 0.45 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1ghk n THR 40 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ghk n ASP 41 N 0.00 0.00 -2.37 1.09 2.03 -1.26 -4.18 116.55 111.85 1ghk n ASP 41 Ca 0.00 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1ghk n ASP 41 Cb 0.00 -0.42 0.05 0.00 -0.72 0.00 0.00 41.12 40.02 1ghk n ASP 41 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ghk n LYS 42 N -2.55 1.15 -3.81 -0.67 5.02 -1.26 -5.09 118.16 110.95 1ghk n LYS 42 Ca 0.00 -2.67 -0.12 0.00 -2.02 0.00 0.00 58.31 53.49 1ghk n LYS 42 Cb 0.00 -0.81 -0.10 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.10 0.04 -0.12 -0.18 1.01 -1.26 -5.15 120.40 112.64 1ghk s VAL 43 Ca 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1ghk s VAL 43 Cb 0.34 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1ghk s VAL 43 CO -0.08 -0.18 -0.05 0.54 0.00 0.00 0.00 175.10 175.32 1ghk s VAL 44 N -0.71 3.78 -0.20 2.92 0.11 -1.26 -1.90 120.40 123.14 1ghk s VAL 44 Ca -0.08 -0.42 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 1ghk s VAL 44 Cb -0.04 -2.62 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 1ghk s VAL 44 CO 0.02 0.53 0.05 -0.04 -3.33 0.00 0.00 175.10 172.33 1ghk s MET 45 N -0.06 3.83 0.01 1.54 -1.94 -0.89 -4.87 119.30 116.92 1ghk s MET 45 Ca 0.01 -0.41 -0.29 0.00 -1.71 0.00 0.00 55.69 53.29 1ghk s MET 45 Cb -0.13 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 1ghk s MET 45 CO 0.03 0.13 0.92 -1.21 -0.01 0.00 0.00 175.02 174.87 1ghk s GLU 46 N 0.74 4.56 -0.36 2.03 2.02 -1.26 -1.35 118.70 125.09 1ghk s GLU 46 Ca 0.03 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.33 1ghk s GLU 46 Cb -0.14 -3.43 0.09 0.00 0.10 0.00 0.00 34.13 30.75 1ghk s GLU 46 CO 0.02 0.05 0.10 0.08 0.02 0.00 0.00 175.26 175.52 1ghk s VAL 47 N 0.70 2.79 0.30 2.63 1.01 -0.31 -4.99 120.40 122.52 1ghk s VAL 47 Ca 0.48 -2.05 0.07 0.00 0.00 0.00 0.00 61.98 60.47 1ghk s VAL 47 Cb -0.21 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1ghk s VAL 47 CO 0.26 -0.53 0.35 -1.48 0.00 0.00 0.00 175.10 173.70 1ghk s LEU 48 N 1.06 3.90 0.29 3.92 0.05 -1.26 -0.34 118.68 126.30 1ghk s LEU 48 Ca 0.06 -0.24 -0.28 0.00 0.05 0.00 0.00 54.13 53.72 1ghk s LEU 48 Cb -0.21 -2.54 -0.09 0.00 -2.05 0.00 0.00 46.19 41.30 1ghk s LEU 48 CO -0.05 -0.27 0.96 0.00 -0.55 0.00 0.00 176.35 176.44 1ghk s ALA 49 N -2.17 3.27 -2.02 1.48 0.00 -1.17 -4.87 121.76 116.28 1ghk s ALA 49 Ca 0.39 0.59 0.08 0.00 0.00 0.00 0.00 51.96 53.03 1ghk s ALA 49 Cb -0.08 -3.21 0.37 0.00 0.00 0.00 0.00 23.12 20.20 1ghk s ALA 49 CO 0.28 0.15 1.25 0.39 0.00 0.00 0.00 175.76 177.84 1ghk n GLU 50 N 0.96 1.21 -3.64 0.00 1.02 -1.26 -2.29 120.64 116.63 1ghk n GLU 50 Ca 0.00 -0.32 -0.04 0.00 -0.02 0.00 0.00 57.16 56.79 1ghk n GLU 50 Cb 0.48 -1.15 -0.07 0.00 -0.02 0.00 0.00 31.44 30.69 1ghk n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ghk s ALA 51 N -1.90 -2.17 1.21 0.62 0.00 -1.26 -4.81 121.76 113.45 1ghk s ALA 51 Ca 0.13 1.73 -0.15 0.00 0.00 0.00 0.00 51.96 53.67 1ghk s ALA 51 Cb 0.07 -1.67 0.27 0.00 0.00 0.00 0.00 23.12 21.78 1ghk s ALA 51 CO 0.10 -0.14 0.75 -3.47 0.00 0.00 0.00 175.76 173.00 1ghk n ASP 52 N 1.48 -2.25 0.00 0.00 2.03 -1.26 -4.54 116.55 112.01 1ghk n ASP 52 Ca -0.09 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1ghk n ASP 52 Cb 0.57 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1ghk n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ghk n GLY 53 N 1.40 -0.11 2.76 0.27 0.00 -1.26 -4.59 105.19 103.66 1ghk n GLY 53 Ca 0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 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 0.09 0.97 1.61 1.01 -1.19 -3.61 120.40 115.28 1ghk s VAL 54 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1ghk s VAL 54 Cb 0.00 -0.25 0.15 0.00 0.00 0.00 0.00 36.38 36.28 1ghk s VAL 54 CO 0.00 0.17 0.94 -0.38 0.00 0.00 0.00 175.10 175.82 1ghk n ILE 55 N 4.67 0.00 -0.03 2.22 5.41 -1.26 -0.76 119.36 129.61 1ghk n ILE 55 Ca -0.16 -0.12 -0.03 0.00 1.00 0.00 0.00 62.75 63.44 1ghk n ILE 55 Cb 0.50 -0.91 -0.01 0.00 -0.71 0.00 0.00 39.64 38.51 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 -4.25 0.25 -3.65 -1.39 0.00 0.11 -4.48 120.51 107.09 1ghk n ALA 56 Ca 0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 1ghk n ALA 56 Cb 0.53 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.55 0.20 -0.27 0.00 2.12 -1.26 -4.75 118.70 113.19 1ghk s GLU 57 Ca -0.08 0.25 -0.10 0.00 0.36 0.00 0.00 54.97 55.41 1ghk s GLU 57 Cb 0.01 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 1ghk s GLU 57 CO 0.12 -0.03 0.15 0.42 -0.54 0.00 0.00 175.26 175.39 1ghk s ILE 58 N 0.23 4.99 -0.30 -3.70 -1.09 -1.26 -3.96 121.20 116.11 1ghk s ILE 58 Ca 0.04 0.06 0.23 0.00 -2.23 0.00 0.00 60.65 58.75 1ghk s ILE 58 Cb -0.05 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1ghk s ILE 58 CO -0.12 0.27 1.08 0.58 -1.23 0.00 0.00 174.94 175.52 1ghk h VAL 59 N 5.43 0.00 -3.19 2.92 2.07 -1.70 -3.45 116.25 118.33 1ghk h VAL 59 Ca -0.36 -0.91 -0.60 0.00 0.82 0.00 0.00 66.70 65.64 1ghk h VAL 59 Cb 1.18 1.41 -0.10 0.00 -1.52 0.00 0.00 31.29 32.27 1ghk h VAL 59 CO 0.56 0.00 -0.39 -0.54 0.02 0.00 0.00 177.57 177.22 1ghk s LYS 60 N -3.33 4.11 0.22 1.57 3.01 -1.26 -5.09 119.74 118.98 1ghk s LYS 60 Ca 0.01 -0.02 0.01 0.00 -1.01 0.00 0.00 55.97 54.95 1ghk s LYS 60 Cb 0.10 -3.38 -0.04 0.00 -1.01 0.00 0.00 37.83 33.50 1ghk s LYS 60 CO 0.78 0.35 0.39 -0.80 0.51 0.00 0.00 175.35 176.59 1ghk s ASN 61 N 0.15 6.35 0.55 2.83 0.01 -1.26 -5.02 114.94 118.56 1ghk s ASN 61 Ca 0.14 0.31 -0.19 0.00 -0.71 0.00 0.00 52.86 52.41 1ghk s ASN 61 Cb -0.12 -1.97 -0.08 0.00 0.41 0.00 0.00 41.25 39.49 1ghk s ASN 61 CO 0.02 -0.07 0.73 -0.62 -1.51 0.00 0.00 177.10 175.65 1ghk n GLU 62 N -0.94 0.74 -1.12 -0.60 1.02 -1.26 -1.88 120.64 116.60 1ghk n GLU 62 Ca -0.06 0.28 -0.04 0.00 -0.02 0.00 0.00 57.16 57.32 1ghk n GLU 62 Cb 0.55 -1.88 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1ghk n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ghk n GLY 63 N 1.55 0.70 4.00 0.62 0.00 -1.26 -5.02 105.19 105.79 1ghk n GLY 63 Ca 0.12 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.93 5.56 -0.14 1.61 -1.08 -0.78 -4.92 116.67 113.99 1ghk s ASP 64 Ca 0.00 -0.49 -0.04 0.00 -0.52 0.00 0.00 52.55 51.50 1ghk s ASP 64 Cb 0.00 -0.55 -0.03 0.00 -1.46 0.00 0.00 42.92 40.87 1ghk s ASP 64 CO 0.00 -0.81 0.01 -0.89 0.52 0.00 0.00 175.17 173.99 1ghk s THR 65 N -2.39 4.32 0.31 1.71 2.01 -1.26 -1.64 115.64 118.69 1ghk s THR 65 Ca 0.55 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.39 1ghk s THR 65 Cb -0.09 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1ghk s THR 65 CO 0.33 0.53 0.42 0.68 -0.69 0.00 0.00 174.62 175.88 1ghk s VAL 66 N -0.09 4.33 0.19 3.82 -7.23 -0.94 -4.90 120.40 115.57 1ghk s VAL 66 Ca 0.04 -1.04 -0.07 0.00 -1.81 0.00 0.00 61.98 59.10 1ghk s VAL 66 Cb -0.13 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 1ghk s VAL 66 CO 0.02 -0.21 0.26 -0.22 -0.31 0.00 0.00 175.10 174.64 1ghk s LEU 67 N -4.10 0.98 -0.11 1.32 0.20 -1.26 -3.54 118.68 112.17 1ghk s LEU 67 Ca 0.41 -1.05 -0.29 0.00 0.69 0.00 0.00 54.13 53.89 1ghk s LEU 67 Cb -0.09 1.00 -0.06 0.00 -0.43 0.00 0.00 46.19 46.61 1ghk s LEU 67 CO 0.30 -0.91 1.98 -0.55 -0.29 0.00 0.00 176.35 176.88 1ghk s SER 68 N -3.03 6.08 0.00 3.68 0.15 -1.26 -1.02 113.70 118.30 1ghk s SER 68 Ca 0.24 2.17 0.00 0.00 0.70 0.00 0.00 55.95 59.06 1ghk s SER 68 Cb 0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1ghk s SER 68 CO 0.05 -1.42 0.00 0.61 1.20 0.00 0.00 173.24 173.68 1ghk n GLY 69 N 5.00 0.69 3.66 9.45 0.00 -1.26 -5.03 105.19 117.70 1ghk n GLY 69 Ca 0.23 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.93 4.26 -0.26 1.61 2.56 -0.18 -4.88 118.70 120.88 1ghk s GLU 70 Ca 0.00 1.10 -0.25 0.00 0.00 0.00 0.00 54.97 55.82 1ghk s GLU 70 Cb 0.00 -3.61 0.00 0.00 2.00 0.00 0.00 34.13 32.52 1ghk s GLU 70 CO 0.00 -0.46 0.88 -1.17 -0.56 0.00 0.00 175.26 173.95 1ghk s LEU 71 N 2.61 4.07 -0.02 2.70 2.96 -1.26 -1.79 118.68 127.95 1ghk s LEU 71 Ca 0.39 1.03 0.22 0.00 -0.22 0.00 0.00 54.13 55.55 1ghk s LEU 71 Cb -0.16 -3.26 -0.32 0.00 0.50 0.00 0.00 46.19 42.95 1ghk s LEU 71 CO 0.10 -0.59 0.53 0.18 -1.32 0.00 0.00 176.35 175.24 1ghk n LEU 72 N 6.17 0.10 0.00 -0.68 4.77 -0.99 -4.66 117.00 121.71 1ghk n LEU 72 Ca 0.07 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ghk n LEU 72 Cb 0.47 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ghk n LEU 72 CO 0.50 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1ghk n GLY 73 N 1.28 2.31 3.32 -0.72 0.00 -1.20 -2.09 105.19 108.09 1ghk n GLY 73 Ca -0.03 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 1.25 0.18 1.61 -2.85 -1.25 -1.14 119.74 115.53 1ghk s LYS 74 Ca 0.00 -1.50 -0.02 0.00 -1.00 0.00 0.00 55.97 53.45 1ghk s LYS 74 Cb 0.00 -1.07 -0.05 0.00 -2.06 0.00 0.00 37.83 34.65 1ghk s LYS 74 CO 0.00 0.19 0.38 -1.17 0.10 0.00 0.00 175.35 174.85 1ghk s LEU 75 N -3.08 4.24 0.43 2.77 2.96 -1.00 -0.71 118.68 124.29 1ghk s LEU 75 Ca 0.19 0.46 0.08 0.00 -0.22 0.00 0.00 54.13 54.64 1ghk s LEU 75 Cb -0.02 -3.21 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 1ghk s LEU 75 CO 0.06 -0.00 0.43 -0.89 -1.32 0.00 0.00 176.35 174.62 1ghk s THR 76 N -1.79 2.62 1.09 3.68 2.01 0.06 -3.53 115.64 119.78 1ghk s THR 76 Ca 0.39 -1.29 -0.18 0.00 0.31 0.00 0.00 61.69 60.92 1ghk s THR 76 Cb -0.11 -2.91 0.28 0.00 0.01 0.00 0.00 72.50 69.76 1ghk s THR 76 CO 0.28 0.00 0.79 -0.62 -0.69 0.00 0.00 174.62 174.37 1ghk n GLU 77 N -1.64 -3.56 0.00 4.92 1.02 -1.26 -4.01 120.64 116.11 1ghk n GLU 77 Ca 0.04 -1.29 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 1ghk n GLU 77 Cb 0.61 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 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 -4.03 5.32 0.00 0.62 0.00 -1.26 -3.18 105.19 102.67 1ghk n GLY 78 Ca 0.12 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93