#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 2.76 0.31 0.00 -1.09 -0.77 -4.96 121.20 117.46 1ghk s ILE 2 Ca 0.00 -2.44 -0.29 0.00 -2.23 0.00 0.00 60.65 55.69 1ghk s ILE 2 Cb 0.00 -2.95 -0.11 0.00 -1.58 0.00 0.00 42.46 37.82 1ghk s ILE 2 CO 0.00 -0.68 1.57 -0.62 -1.23 0.00 0.00 174.94 173.98 1ghk s ASP 3 N 1.02 6.36 -0.20 3.58 -1.08 -1.26 -1.83 116.67 123.27 1ghk s ASP 3 Ca 0.11 2.98 -0.02 0.00 -0.52 0.00 0.00 52.55 55.10 1ghk s ASP 3 Cb -0.21 -2.64 -0.00 0.00 -1.46 0.00 0.00 42.92 38.60 1ghk s ASP 3 CO -0.05 -0.91 -0.10 -0.63 0.52 0.00 0.00 175.17 174.00 1ghk s ILE 4 N -0.30 2.96 0.48 4.11 1.01 -0.79 -4.90 121.20 123.78 1ghk s ILE 4 Ca 0.60 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1ghk s ILE 4 Cb -0.47 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1ghk s ILE 4 CO 0.52 0.47 0.04 -0.54 0.00 0.00 0.00 174.94 175.43 1ghk s LYS 5 N 1.28 2.11 0.63 2.79 1.02 -1.26 -2.28 119.74 124.02 1ghk s LYS 5 Ca 0.03 -2.33 -0.08 0.00 0.02 0.00 0.00 55.97 53.62 1ghk s LYS 5 Cb -0.14 -1.23 0.01 0.00 -0.52 0.00 0.00 37.83 35.95 1ghk s LYS 5 CO -0.05 -0.40 0.96 0.00 -0.92 0.00 0.00 175.35 174.95 1ghk s ALA 6 N -2.98 3.17 -0.26 5.17 0.00 -0.21 -4.80 121.76 121.85 1ghk s ALA 6 Ca 0.12 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1ghk s ALA 6 Cb 0.02 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1ghk s ALA 6 CO 0.07 -0.90 1.16 -1.25 0.00 0.00 0.00 175.76 174.84 1ghk s PRO 7 N -5.11 4.12 0.26 0.00 0.04 -1.26 -3.94 135.00 129.11 1ghk s PRO 7 Ca 0.55 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 1ghk s PRO 7 Cb -0.11 -3.75 -0.13 0.00 0.04 0.00 0.00 34.50 30.55 1ghk s PRO 7 CO 0.47 -0.84 1.32 -2.37 0.04 0.00 0.00 177.00 175.62 1ghk n THR 8 N 5.70 1.29 -3.57 1.26 5.66 -1.26 -4.72 114.28 118.65 1ghk n THR 8 Ca 0.13 -0.32 -0.27 0.00 -3.05 0.00 0.00 64.05 60.54 1ghk n THR 8 Cb 0.46 -1.40 -0.03 0.00 -1.55 0.00 0.00 70.33 67.82 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 -0.41 3.48 0.90 1.09 0.08 -1.26 -5.05 117.98 116.81 1ghk s PHE 9 Ca 0.65 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.96 1ghk s PHE 9 Cb -0.65 -1.92 0.21 0.00 -0.57 0.00 0.00 43.02 40.09 1ghk s PHE 9 CO 0.54 0.29 1.12 -0.35 -0.10 0.00 0.00 175.22 176.72 1ghk n PRO 10 N -0.89 -1.48 -0.19 0.24 -0.04 -1.26 -4.94 135.00 126.44 1ghk n PRO 10 Ca -0.04 -1.74 -0.07 0.00 -0.04 0.00 0.00 63.50 61.61 1ghk n PRO 10 Cb 0.54 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1ghk n PRO 10 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ghk h GLU 11 N 0.00 0.78 0.00 0.54 4.11 -2.04 -3.23 114.58 114.74 1ghk h GLU 11 Ca -0.37 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1ghk h GLU 11 Cb 1.04 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1ghk h GLU 11 CO 0.26 0.60 0.00 0.45 0.07 0.00 0.00 179.01 180.39 1ghk n SER 12 N -4.60 0.00 -4.95 3.06 2.88 -1.26 -4.57 113.62 104.17 1ghk n SER 12 Ca 0.03 0.85 -0.23 0.00 -1.33 0.00 0.00 58.87 58.19 1ghk n SER 12 Cb 0.09 -0.35 0.03 0.00 -0.75 0.00 0.00 64.21 63.23 1ghk n SER 12 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ghk s ILE 13 N -2.41 3.17 -0.30 2.46 1.09 -1.22 -5.04 121.20 118.95 1ghk s ILE 13 Ca 0.00 -0.46 0.20 0.00 -1.10 0.00 0.00 60.65 59.29 1ghk s ILE 13 Cb 0.00 -3.21 0.48 0.00 -1.06 0.00 0.00 42.46 38.66 1ghk s ILE 13 CO 0.00 -0.17 1.08 0.00 -0.10 0.00 0.00 174.94 175.75 1ghk n ALA 14 N -2.38 2.89 0.00 9.38 0.00 -1.26 -4.16 120.51 124.98 1ghk n ALA 14 Ca 0.05 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1ghk n ALA 14 Cb 0.59 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.42 0.00 -1.01 0.00 5.68 -1.26 -4.80 116.55 114.74 1ghk n ASP 15 Ca 0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1ghk n ASP 15 Cb 0.82 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 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 1.33 3.19 6.12 0.00 -1.24 -4.88 105.19 109.71 1ghk n GLY 16 Ca 0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.59 -0.20 1.12 2.61 2.01 -0.86 -1.81 115.64 115.92 1ghk s THR 17 Ca 0.00 0.14 -0.19 0.00 0.31 0.00 0.00 61.69 61.95 1ghk s THR 17 Cb -0.00 -0.55 0.10 0.00 0.01 0.00 0.00 72.50 72.06 1ghk s THR 17 CO 0.00 0.06 -0.03 0.52 -0.69 0.00 0.00 174.62 174.48 1ghk n VAL 18 N 4.63 0.00 0.00 3.82 0.31 -0.56 -0.63 118.33 125.90 1ghk n VAL 18 Ca -0.19 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1ghk n VAL 18 Cb 0.53 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 -4.44 1.71 -3.62 3.52 0.00 -0.60 -3.60 120.51 113.48 1ghk n ALA 19 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1ghk n ALA 19 Cb 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.47 -0.00 -1.08 0.00 2.01 -1.25 -3.77 115.64 111.08 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 -0.92 0.15 0.00 0.01 0.00 0.00 72.50 71.74 1ghk s THR 20 CO 0.00 0.00 1.28 0.26 -0.69 0.00 0.00 174.62 175.48 1ghk s TRP 21 N 1.15 3.34 0.04 4.92 0.52 -1.26 -2.54 118.94 125.11 1ghk s TRP 21 Ca -0.06 -1.80 -0.08 0.00 0.02 0.00 0.00 56.10 54.17 1ghk s TRP 21 Cb -0.05 -4.29 -0.02 0.00 -1.15 0.00 0.00 33.47 27.96 1ghk s TRP 21 CO -0.12 -1.43 1.14 0.45 0.02 0.00 0.00 176.95 177.02 1ghk h HIS 22 N 7.92 -0.46 -3.36 -1.98 3.86 -1.96 -3.42 115.15 115.75 1ghk h HIS 22 Ca 0.24 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.39 1ghk h HIS 22 Cb 0.94 0.23 0.02 0.00 1.06 0.00 0.00 27.41 29.66 1ghk h HIS 22 CO 1.13 -0.11 0.04 1.63 0.86 0.00 0.00 177.93 181.47 1ghk n LYS 23 N -3.48 0.29 -4.31 2.45 5.02 -1.26 -5.12 118.16 111.75 1ghk n LYS 23 Ca -0.00 -0.50 -0.16 0.00 -2.02 0.00 0.00 58.31 55.62 1ghk n LYS 23 Cb 0.08 -0.17 -0.10 0.00 -0.02 0.00 0.00 35.03 34.82 1ghk n LYS 23 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ghk s LYS 24 N -3.09 1.27 -0.67 1.97 -2.85 -1.26 -5.02 119.74 110.09 1ghk s LYS 24 Ca 0.14 -1.63 -0.27 0.00 -1.00 0.00 0.00 55.97 53.21 1ghk s LYS 24 Cb -0.01 -0.57 0.02 0.00 -2.06 0.00 0.00 37.83 35.21 1ghk s LYS 24 CO 0.09 -0.08 1.42 -1.25 0.10 0.00 0.00 175.35 175.63 1ghk s PRO 25 N -3.86 3.11 0.00 1.78 0.04 -1.26 -3.39 135.00 131.42 1ghk s PRO 25 Ca 0.26 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1ghk s PRO 25 Cb 0.05 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1ghk s PRO 25 CO 0.07 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.31 1ghk n GLY 26 N 5.41 0.43 3.62 0.56 0.00 -1.26 -4.80 105.19 109.15 1ghk n GLY 26 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.01 -2.68 1.61 -0.58 -1.22 -4.92 120.64 112.84 1ghk n GLU 27 Ca 0.00 -2.56 -0.27 0.00 -0.42 0.00 0.00 57.16 53.90 1ghk n GLU 27 Cb 0.00 -0.59 -0.00 0.00 -0.57 0.00 0.00 31.44 30.28 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 -3.11 3.41 0.05 0.62 0.00 -1.26 -3.95 121.76 117.51 1ghk s ALA 28 Ca 0.61 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 1ghk s ALA 28 Cb -0.04 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 1ghk s ALA 28 CO 0.41 -0.31 0.09 0.08 0.00 0.00 0.00 175.76 176.02 1ghk s VAL 29 N -2.70 0.15 -0.01 0.00 1.01 -0.96 -4.96 120.40 112.94 1ghk s VAL 29 Ca 0.47 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1ghk s VAL 29 Cb -0.10 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 1ghk s VAL 29 CO 0.44 -0.67 0.02 -0.75 0.00 0.00 0.00 175.10 174.14 1ghk s LYS 30 N -2.98 0.09 0.58 2.72 2.20 -1.26 -2.69 119.74 118.41 1ghk s LYS 30 Ca -0.02 -0.08 -0.18 0.00 -0.36 0.00 0.00 55.97 55.34 1ghk s LYS 30 Cb 0.01 0.04 -0.13 0.00 -1.51 0.00 0.00 37.83 36.24 1ghk s LYS 30 CO -0.06 -0.01 -0.00 -2.13 -0.36 0.00 0.00 175.35 172.78 1ghk n ARG 31 N 2.78 0.13 -3.14 4.03 0.63 -1.26 -2.56 116.66 117.27 1ghk n ARG 31 Ca -0.14 0.05 -0.14 0.00 -0.92 0.00 0.00 57.85 56.70 1ghk n ARG 31 Cb 0.59 -1.21 0.05 0.00 0.45 0.00 0.00 32.46 32.33 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 1.95 -4.47 -3.61 6.15 -0.08 -1.23 -4.95 116.55 110.30 1ghk n ASP 32 Ca 0.08 -0.32 -0.25 0.00 -1.51 0.00 0.00 54.79 52.78 1ghk n ASP 32 Cb 0.48 -3.20 -0.17 0.00 2.34 0.00 0.00 41.12 40.58 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 -5.73 0.05 1.00 -0.67 2.12 -1.06 -4.94 118.70 109.48 1ghk s GLU 33 Ca 0.33 -0.02 -0.19 0.00 0.36 0.00 0.00 54.97 55.44 1ghk s GLU 33 Cb -0.15 -1.68 -0.12 0.00 0.26 0.00 0.00 34.13 32.45 1ghk s GLU 33 CO 0.43 -0.63 -0.77 -0.11 -0.54 0.00 0.00 175.26 173.64 1ghk n LEU 34 N 5.28 -4.11 0.00 2.70 7.94 -1.26 -1.21 117.00 126.34 1ghk n LEU 34 Ca -0.07 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1ghk n LEU 34 Cb 0.49 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.67 1ghk n LEU 34 CO 0.10 -4.53 0.00 -0.38 -1.11 0.00 0.00 177.39 171.47 1ghk n ILE 35 N -3.08 0.00 -3.64 1.96 5.41 0.65 -4.57 119.36 116.09 1ghk n ILE 35 Ca -0.01 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1ghk n ILE 35 Cb 0.61 -0.11 -0.07 0.00 -0.71 0.00 0.00 39.64 39.36 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 -1.35 -0.00 0.40 1.39 0.11 -1.02 -3.54 120.40 116.39 1ghk s VAL 36 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1ghk s VAL 36 Cb 0.00 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1ghk s VAL 36 CO 0.00 0.00 0.59 -1.81 -3.33 0.00 0.00 175.10 170.55 1ghk s ASP 37 N 0.77 6.00 0.14 3.54 1.01 -1.05 -0.01 116.67 127.07 1ghk s ASP 37 Ca -0.03 0.25 0.06 0.00 0.71 0.00 0.00 52.55 53.54 1ghk s ASP 37 Cb -0.05 -1.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 1ghk s ASP 37 CO -0.06 -0.52 -0.13 -0.63 0.21 0.00 0.00 175.17 174.04 1ghk s ILE 38 N -2.41 1.37 -0.05 0.77 1.01 -1.00 -1.55 121.20 119.35 1ghk s ILE 38 Ca 0.45 -1.89 0.04 0.00 0.00 0.00 0.00 60.65 59.25 1ghk s ILE 38 Cb -0.10 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1ghk s ILE 38 CO 0.36 -0.52 -0.15 -1.61 0.00 0.00 0.00 174.94 173.01 1ghk s GLU 39 N -3.10 1.68 0.00 2.79 0.41 0.20 -1.05 118.70 119.63 1ghk s GLU 39 Ca 0.13 -0.54 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 1ghk s GLU 39 Cb -0.02 -1.45 0.00 0.00 -1.78 0.00 0.00 34.13 30.88 1ghk s GLU 39 CO 0.03 0.19 0.00 -2.37 -0.49 0.00 0.00 175.26 172.62 1ghk n THR 40 N 3.28 0.00 -0.03 3.63 5.66 -0.98 -2.02 114.28 123.82 1ghk n THR 40 Ca -0.19 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.80 1ghk n THR 40 Cb 0.53 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.30 1ghk n THR 40 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1ghk h ASP 41 N 0.00 -0.23 -0.82 1.09 3.58 -2.01 -3.34 116.42 114.69 1ghk h ASP 41 Ca 0.00 0.03 -0.33 0.00 0.42 0.00 0.00 57.03 57.16 1ghk h ASP 41 Cb 0.00 0.10 -0.38 0.00 1.72 0.00 0.00 39.33 40.77 1ghk h ASP 41 CO 0.00 -0.03 -1.11 0.29 -2.88 0.00 0.00 179.24 175.51 1ghk n LYS 42 N -3.16 1.24 -3.65 0.28 5.02 -1.26 -5.06 118.16 111.57 1ghk n LYS 42 Ca -0.00 -3.15 -0.05 0.00 -2.02 0.00 0.00 58.31 53.09 1ghk n LYS 42 Cb 0.03 -1.18 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.92 -0.82 -0.29 -0.18 1.01 -1.26 -5.13 120.40 110.81 1ghk s VAL 43 Ca 0.26 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 1ghk s VAL 43 Cb 0.43 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1ghk s VAL 43 CO 0.02 0.03 0.64 -0.69 0.00 0.00 0.00 175.10 175.10 1ghk s VAL 44 N 2.76 4.94 0.05 2.92 1.01 -1.26 -2.31 120.40 128.51 1ghk s VAL 44 Ca -0.04 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1ghk s VAL 44 Cb -0.12 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1ghk s VAL 44 CO -0.16 -0.10 0.07 0.23 0.00 0.00 0.00 175.10 175.15 1ghk n MET 45 N 5.85 0.79 -3.78 2.72 2.81 -0.22 -4.92 117.12 120.37 1ghk n MET 45 Ca -0.01 -0.24 -0.09 0.00 -1.81 0.00 0.00 57.70 55.54 1ghk n MET 45 Cb 0.49 -0.03 -0.06 0.00 -0.71 0.00 0.00 33.22 32.90 1ghk n MET 45 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1ghk s GLU 46 N -2.38 0.91 -0.23 0.03 -1.05 -1.26 -2.37 118.70 112.35 1ghk s GLU 46 Ca 0.05 -0.85 -0.01 0.00 -0.15 0.00 0.00 54.97 54.01 1ghk s GLU 46 Cb -0.00 0.38 0.07 0.00 -0.44 0.00 0.00 34.13 34.13 1ghk s GLU 46 CO 0.03 -0.31 0.01 0.08 0.95 0.00 0.00 175.26 176.03 1ghk s VAL 47 N -3.74 0.97 0.59 1.83 1.01 0.99 -4.84 120.40 117.21 1ghk s VAL 47 Ca 0.04 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1ghk s VAL 47 Cb 0.04 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 35.04 1ghk s VAL 47 CO -0.11 -0.25 0.82 -0.22 0.00 0.00 0.00 175.10 175.34 1ghk s LEU 48 N 1.64 3.21 0.18 3.92 2.96 -1.26 -0.25 118.68 129.07 1ghk s LEU 48 Ca -0.01 -0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 1ghk s LEU 48 Cb -0.18 -2.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.90 1ghk s LEU 48 CO -0.10 -1.32 1.08 0.00 -1.32 0.00 0.00 176.35 174.69 1ghk s ALA 49 N -2.83 3.36 -1.98 5.97 0.00 -0.35 -4.77 121.76 121.16 1ghk s ALA 49 Ca 0.60 0.78 0.18 0.00 0.00 0.00 0.00 51.96 53.52 1ghk s ALA 49 Cb -0.09 -3.34 0.52 0.00 0.00 0.00 0.00 23.12 20.22 1ghk s ALA 49 CO 0.40 -0.17 1.43 0.39 0.00 0.00 0.00 175.76 177.81 1ghk n GLU 50 N 2.34 2.38 0.00 0.00 -0.58 -1.26 -3.56 120.64 119.95 1ghk n GLU 50 Ca 0.02 -2.11 0.00 0.00 -0.42 0.00 0.00 57.16 54.65 1ghk n GLU 50 Cb 0.46 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 1.21 0.00 -0.58 0.62 0.00 -1.26 -4.97 120.51 115.52 1ghk n ALA 51 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 1ghk n ALA 51 Cb 0.50 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.38 0.00 0.00 -0.08 -1.26 -4.43 116.55 108.40 1ghk n ASP 52 Ca 0.00 -0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 1ghk n ASP 52 Cb 0.00 -1.01 0.00 0.00 2.34 0.00 0.00 41.12 42.45 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 1.82 0.84 2.87 0.27 0.00 -1.09 -4.81 105.19 105.09 1ghk n GLY 53 Ca 0.02 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.49 0.49 0.91 1.61 1.01 -1.23 -2.26 120.40 117.44 1ghk s VAL 54 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1ghk s VAL 54 Cb 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 36.38 35.93 1ghk s VAL 54 CO 0.00 0.22 0.81 -0.38 0.00 0.00 0.00 175.10 175.75 1ghk n ILE 55 N 4.17 0.26 -0.04 2.22 2.08 -1.25 -1.20 119.36 125.60 1ghk n ILE 55 Ca -0.23 -0.12 -0.04 0.00 0.56 0.00 0.00 62.75 62.92 1ghk n ILE 55 Cb 0.51 -0.84 -0.01 0.00 -0.75 0.00 0.00 39.64 38.54 1ghk n ILE 55 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ghk n ALA 56 N -3.81 0.38 -3.65 -1.39 0.00 0.24 -4.23 120.51 108.06 1ghk n ALA 56 Ca 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 1ghk n ALA 56 Cb 0.52 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 -1.84 0.26 -0.18 0.00 2.12 -1.26 -4.67 118.70 113.13 1ghk s GLU 57 Ca -0.13 0.40 -0.18 0.00 0.36 0.00 0.00 54.97 55.42 1ghk s GLU 57 Cb 0.02 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 1ghk s GLU 57 CO 0.19 -0.05 0.51 0.42 -0.54 0.00 0.00 175.26 175.79 1ghk s ILE 58 N 0.92 5.12 -0.11 -3.70 -1.09 -1.26 -3.97 121.20 117.11 1ghk s ILE 58 Ca -0.05 0.96 -0.06 0.00 -2.23 0.00 0.00 60.65 59.28 1ghk s ILE 58 Cb -0.04 -3.84 -0.26 0.00 -1.58 0.00 0.00 42.46 36.74 1ghk s ILE 58 CO -0.12 0.21 0.40 0.52 -1.23 0.00 0.00 174.94 174.72 1ghk n VAL 59 N 4.35 1.78 -3.46 2.92 0.31 -0.61 -4.83 118.33 118.79 1ghk n VAL 59 Ca -0.05 -0.67 -0.37 0.00 -0.01 0.00 0.00 64.34 63.24 1ghk n VAL 59 Cb 0.51 -1.70 -0.07 0.00 -0.91 0.00 0.00 33.84 31.67 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 -2.56 4.24 0.40 5.55 3.01 -1.26 -5.07 119.74 124.04 1ghk s LYS 60 Ca -0.21 0.17 -0.08 0.00 -1.01 0.00 0.00 55.97 54.84 1ghk s LYS 60 Cb 0.07 -3.47 -0.05 0.00 -1.01 0.00 0.00 37.83 33.36 1ghk s LYS 60 CO 0.78 0.13 0.72 -0.80 0.51 0.00 0.00 175.35 176.69 1ghk s ASN 61 N 0.71 6.44 0.43 2.83 0.01 -1.26 -5.02 114.94 119.08 1ghk s ASN 61 Ca 0.18 0.98 -0.25 0.00 -0.71 0.00 0.00 52.86 53.07 1ghk s ASN 61 Cb -0.14 -2.26 -0.08 0.00 0.41 0.00 0.00 41.25 39.18 1ghk s ASN 61 CO 0.06 -0.39 1.31 -1.83 -1.51 0.00 0.00 177.10 174.74 1ghk s GLU 62 N -3.99 3.81 0.00 -0.60 4.04 -1.26 -2.54 118.70 118.16 1ghk s GLU 62 Ca 0.49 2.15 0.00 0.00 0.04 0.00 0.00 54.97 57.64 1ghk s GLU 62 Cb -0.10 -2.64 0.00 0.00 0.02 0.00 0.00 34.13 31.40 1ghk s GLU 62 CO 0.34 -0.62 0.00 0.41 -1.84 0.00 0.00 175.26 173.55 1ghk n GLY 63 N 0.64 1.56 3.97 -3.83 0.00 -1.24 -4.93 105.19 101.36 1ghk n GLY 63 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.81 5.13 -0.09 1.61 2.15 -1.05 -4.84 116.67 117.77 1ghk s ASP 64 Ca 0.00 -0.01 -0.09 0.00 0.43 0.00 0.00 52.55 52.87 1ghk s ASP 64 Cb 0.00 -0.79 -0.04 0.00 -0.30 0.00 0.00 42.92 41.79 1ghk s ASP 64 CO 0.00 -1.27 0.21 -0.89 -0.17 0.00 0.00 175.17 173.06 1ghk s THR 65 N -2.85 5.37 0.00 1.71 2.01 -1.26 -1.50 115.64 119.13 1ghk s THR 65 Ca 0.59 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1ghk s THR 65 Cb -0.10 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1ghk s THR 65 CO 0.40 0.60 0.00 1.33 -0.69 0.00 0.00 174.62 176.26 1ghk n VAL 66 N 2.01 0.00 -4.09 3.82 0.24 -0.75 -4.91 118.33 114.64 1ghk n VAL 66 Ca -0.18 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 1ghk n VAL 66 Cb 0.54 -0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.73 -0.47 1.34 1.43 -1.26 -3.73 118.68 116.72 1ghk s LEU 67 Ca 0.00 -1.17 -0.27 0.00 -1.03 0.00 0.00 54.13 51.65 1ghk s LEU 67 Cb 0.00 1.17 -0.02 0.00 0.03 0.00 0.00 46.19 47.37 1ghk s LEU 67 CO 0.00 -1.03 1.83 -0.55 0.23 0.00 0.00 176.35 176.82 1ghk s SER 68 N -3.10 5.57 0.00 2.29 0.15 -1.26 -1.63 113.70 115.72 1ghk s SER 68 Ca 0.30 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1ghk s SER 68 Cb 0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1ghk s SER 68 CO 0.11 -2.05 0.00 0.61 1.20 0.00 0.00 173.24 173.11 1ghk n GLY 69 N 5.55 1.07 3.69 9.45 0.00 -1.25 -4.94 105.19 118.76 1ghk n GLY 69 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.81 4.31 -0.13 1.61 2.56 -0.65 -4.63 118.70 120.96 1ghk s GLU 70 Ca 0.00 1.87 -0.29 0.00 0.00 0.00 0.00 54.97 56.54 1ghk s GLU 70 Cb 0.00 -3.55 -0.02 0.00 2.00 0.00 0.00 34.13 32.56 1ghk s GLU 70 CO 0.00 -0.52 1.28 -1.17 -0.56 0.00 0.00 175.26 174.29 1ghk s LEU 71 N 2.24 4.22 0.02 2.70 0.20 -1.26 -1.04 118.68 125.76 1ghk s LEU 71 Ca 0.61 1.77 0.21 0.00 0.69 0.00 0.00 54.13 57.41 1ghk s LEU 71 Cb -0.29 -3.54 -0.21 0.00 -0.43 0.00 0.00 46.19 41.71 1ghk s LEU 71 CO 0.25 -0.73 0.62 0.18 -0.29 0.00 0.00 176.35 176.38 1ghk n LEU 72 N 6.27 0.36 0.00 -0.68 4.77 -0.97 -4.50 117.00 122.25 1ghk n LEU 72 Ca 0.13 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1ghk n LEU 72 Cb 0.45 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ghk n LEU 72 CO 0.56 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1ghk n GLY 73 N 1.34 0.24 3.11 -0.72 0.00 -1.22 -1.58 105.19 106.36 1ghk n GLY 73 Ca -0.08 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 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 1.58 0.03 1.61 1.02 -1.25 -1.88 119.74 118.84 1ghk s LYS 74 Ca 0.00 -0.55 -0.19 0.00 0.02 0.00 0.00 55.97 55.26 1ghk s LYS 74 Cb 0.00 -1.40 -0.06 0.00 -0.52 0.00 0.00 37.83 35.85 1ghk s LYS 74 CO 0.00 0.23 0.54 -1.17 -0.92 0.00 0.00 175.35 174.03 1ghk s LEU 75 N 0.03 4.48 0.50 3.17 2.96 -0.76 -0.59 118.68 128.47 1ghk s LEU 75 Ca -0.03 1.16 0.05 0.00 -0.22 0.00 0.00 54.13 55.09 1ghk s LEU 75 Cb -0.10 -2.83 0.03 0.00 0.50 0.00 0.00 46.19 43.78 1ghk s LEU 75 CO 0.02 0.23 0.70 -0.89 -1.32 0.00 0.00 176.35 175.08 1ghk s THR 76 N -0.79 2.74 -0.06 3.68 2.01 -0.34 -1.84 115.64 121.04 1ghk s THR 76 Ca 0.28 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 1ghk s THR 76 Cb -0.18 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 1ghk s THR 76 CO 0.17 0.00 -0.04 -0.33 -0.69 0.00 0.00 174.62 173.73 1ghk h GLU 77 N 0.31 0.00 0.00 4.92 3.07 -1.87 -3.27 114.58 117.74 1ghk h GLU 77 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1ghk h GLU 77 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1ghk h GLU 77 CO 0.47 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.49 1ghk n GLY 78 N 1.79 3.33 2.79 -3.84 0.00 -1.26 -3.72 105.19 104.28 1ghk n GLY 78 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1ghk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93