#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh8 n GLY 2 N 0.00 0.00 3.95 3.03 0.00 0.42 -4.59 105.19 108.00 1gh8 n GLY 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1gh8 n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gh8 s ASP 3 N 0.00 5.80 -0.14 1.61 -4.77 0.16 -4.70 116.67 114.63 1gh8 s ASP 3 Ca 0.00 0.31 -0.08 0.00 -3.30 0.00 0.00 52.55 49.48 1gh8 s ASP 3 Cb 0.00 -1.53 -0.04 0.00 -1.09 0.00 0.00 42.92 40.26 1gh8 s ASP 3 CO 0.00 -0.74 0.15 -0.69 0.70 0.00 0.00 175.17 174.59 1gh8 s VAL 4 N -2.60 5.45 -0.06 2.11 1.01 -0.78 -2.16 120.40 123.38 1gh8 s VAL 4 Ca 0.49 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1gh8 s VAL 4 Cb -0.10 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1gh8 s VAL 4 CO 0.38 0.56 -0.06 -0.69 0.00 0.00 0.00 175.10 175.30 1gh8 s VAL 5 N -0.59 0.70 0.51 2.92 1.01 -0.21 -0.82 120.40 123.92 1gh8 s VAL 5 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1gh8 s VAL 5 Cb -0.12 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1gh8 s VAL 5 CO 0.03 0.28 0.73 0.00 0.00 0.00 0.00 175.10 176.13 1gh8 s ALA 6 N 1.12 3.95 -0.06 5.51 0.00 -0.87 0.88 121.76 132.29 1gh8 s ALA 6 Ca -0.07 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1gh8 s ALA 6 Cb -0.14 -2.03 0.04 0.00 0.00 0.00 0.00 23.12 20.98 1gh8 s ALA 6 CO -0.01 -0.62 0.12 0.99 0.00 0.00 0.00 175.76 176.24 1gh8 s THR 7 N -2.67 -0.06 -0.27 0.00 2.01 -0.45 -1.24 115.64 112.97 1gh8 s THR 7 Ca 0.55 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.77 1gh8 s THR 7 Cb -0.10 -0.21 0.07 0.00 0.01 0.00 0.00 72.50 72.27 1gh8 s THR 7 CO 0.38 0.08 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.69 1gh8 s ILE 8 N 1.19 2.05 -0.67 1.82 -1.09 -0.66 -2.88 121.20 120.95 1gh8 s ILE 8 Ca -0.09 -1.69 -0.16 0.00 -2.23 0.00 0.00 60.65 56.48 1gh8 s ILE 8 Cb -0.12 -2.26 0.15 0.00 -1.58 0.00 0.00 42.46 38.65 1gh8 s ILE 8 CO -0.05 -0.16 0.69 -0.54 -1.23 0.00 0.00 174.94 173.65 1gh8 s LYS 9 N 1.13 3.24 -0.06 2.79 -0.14 -1.21 0.03 119.74 125.51 1gh8 s LYS 9 Ca -0.05 -1.83 -0.14 0.00 -1.36 0.00 0.00 55.97 52.60 1gh8 s LYS 9 Cb -0.20 -4.38 -0.05 0.00 -1.68 0.00 0.00 37.83 31.52 1gh8 s LYS 9 CO -0.06 -1.42 0.35 0.14 -0.76 0.00 0.00 175.35 173.60 1gh8 s VAL 10 N 1.59 5.17 -0.14 3.17 -7.23 -0.72 0.35 120.40 122.59 1gh8 s VAL 10 Ca 0.12 0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 60.93 1gh8 s VAL 10 Cb -0.20 -3.65 0.07 0.00 0.56 0.00 0.00 36.38 33.15 1gh8 s VAL 10 CO -0.01 0.53 0.29 0.00 -0.31 0.00 0.00 175.10 175.60 1gh8 s MET 11 N -0.65 0.19 -0.09 4.82 0.23 -1.10 -0.94 119.30 121.75 1gh8 s MET 11 Ca 0.21 0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 55.34 1gh8 s MET 11 Cb -0.15 0.00 -0.04 0.00 -1.53 0.00 0.00 34.83 33.11 1gh8 s MET 11 CO 0.10 -0.26 1.43 -2.14 -2.03 0.00 0.00 175.02 172.12 1gh8 s PRO 12 N 2.26 4.23 0.51 3.16 0.02 -1.26 -2.28 135.00 141.63 1gh8 s PRO 12 Ca -0.01 1.91 0.21 0.00 0.02 0.00 0.00 61.00 63.13 1gh8 s PRO 12 Cb -0.12 -3.80 1.30 0.00 0.02 0.00 0.00 34.50 31.90 1gh8 s PRO 12 CO -0.09 -0.72 2.04 0.93 -0.33 0.00 0.00 177.00 178.83 1gh8 h GLU 13 N 8.60 0.06 -7.18 5.54 4.39 -1.23 -3.43 114.58 121.34 1gh8 h GLU 13 Ca -0.34 -0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.89 1gh8 h GLU 13 Cb 1.15 -0.01 0.03 0.00 -0.10 0.00 0.00 28.75 29.81 1gh8 h GLU 13 CO 0.95 0.04 0.37 -1.12 -1.16 0.00 0.00 179.01 178.09 1gh8 s SER 14 N -6.50 6.38 0.00 1.42 0.01 -1.26 -4.93 113.70 108.82 1gh8 s SER 14 Ca -0.05 1.67 0.16 0.00 1.31 0.00 0.00 55.95 59.04 1gh8 s SER 14 Cb 0.19 -2.52 0.78 0.00 0.21 0.00 0.00 66.02 64.68 1gh8 s SER 14 CO 0.71 -0.75 1.45 -2.65 0.41 0.00 0.00 173.24 172.41 1gh8 n PRO 15 N -1.61 0.20 -0.79 12.44 -0.02 -1.26 -2.81 135.00 141.15 1gh8 n PRO 15 Ca 0.07 0.15 -0.16 0.00 -2.02 0.00 0.00 63.50 61.54 1gh8 n PRO 15 Cb 0.54 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.60 1gh8 n PRO 15 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1gh8 n ASP 16 N -1.31 4.60 -4.57 2.55 2.03 -1.26 -4.86 116.55 113.73 1gh8 n ASP 16 Ca 0.07 -3.00 -0.24 0.00 0.52 0.00 0.00 54.79 52.14 1gh8 n ASP 16 Cb 0.13 -0.82 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1gh8 s VAL 17 N -2.15 3.37 -0.45 5.18 0.11 -1.12 -4.89 120.40 120.44 1gh8 s VAL 17 Ca 0.33 -0.46 -0.28 0.00 -2.93 0.00 0.00 61.98 58.65 1gh8 s VAL 17 Cb 0.27 -4.05 -0.01 0.00 -1.53 0.00 0.00 36.38 31.06 1gh8 s VAL 17 CO 0.04 -0.72 1.75 -1.81 -3.33 0.00 0.00 175.10 171.03 1gh8 s ASP 18 N 8.00 5.74 0.08 3.54 1.01 -1.26 -4.82 116.67 128.96 1gh8 s ASP 18 Ca 0.74 0.85 -0.22 0.00 0.71 0.00 0.00 52.55 54.63 1gh8 s ASP 18 Cb -0.05 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.22 1gh8 s ASP 18 CO 0.07 -1.91 1.66 0.25 0.21 0.00 0.00 175.17 175.45 1gh8 h LEU 19 N 14.44 0.12 -0.61 1.23 6.46 -1.90 0.29 115.31 135.33 1gh8 h LEU 19 Ca -0.30 -0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 57.23 1gh8 h LEU 19 Cb 1.15 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 1gh8 h LEU 19 CO 1.11 0.20 -0.28 -0.08 -0.62 0.00 0.00 178.44 178.77 1gh8 h GLU 20 N 0.04 0.79 -0.14 1.25 4.57 -2.00 -1.33 114.58 117.76 1gh8 h GLU 20 Ca 0.03 -0.35 -0.15 0.00 -1.18 0.00 0.00 59.36 57.71 1gh8 h GLU 20 Cb 0.10 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1gh8 h GLU 20 CO -0.00 0.98 -0.53 0.00 -1.18 0.00 0.00 179.01 178.27 1gh8 h ALA 21 N 1.00 0.82 -0.15 2.92 0.00 -1.94 -2.72 119.26 119.19 1gh8 h ALA 21 Ca 0.08 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1gh8 h ALA 21 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1gh8 h ALA 21 CO 0.07 0.68 -0.18 1.25 0.00 0.00 0.00 179.25 181.07 1gh8 h LEU 22 N 0.32 0.24 -0.54 0.00 5.85 -0.10 -2.56 115.31 118.52 1gh8 h LEU 22 Ca 0.01 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1gh8 h LEU 22 Cb 1.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1gh8 h LEU 22 CO 0.09 0.45 0.30 0.11 -0.34 0.00 0.00 178.44 179.05 1gh8 h LYS 23 N 0.24 0.57 -0.48 1.25 1.57 -0.92 0.43 116.57 119.22 1gh8 h LYS 23 Ca 0.04 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1gh8 h LYS 23 Cb 0.47 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1gh8 h LYS 23 CO 0.03 0.37 -0.01 0.87 -0.57 0.00 0.00 179.45 180.15 1gh8 h LYS 24 N 0.58 0.85 -0.01 3.15 1.57 -1.45 -2.67 116.57 118.59 1gh8 h LYS 24 Ca 0.23 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1gh8 h LYS 24 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1gh8 h LYS 24 CO -0.13 0.89 -0.32 0.93 -0.57 0.00 0.00 179.45 180.25 1gh8 h GLU 25 N 0.70 0.03 -0.57 3.15 5.08 -1.01 -2.80 114.58 119.16 1gh8 h GLU 25 Ca 0.13 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1gh8 h GLU 25 Cb 0.52 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1gh8 h GLU 25 CO 0.03 0.34 0.29 0.82 -1.00 0.00 0.00 179.01 179.49 1gh8 h ILE 26 N 0.02 1.20 -0.81 3.13 2.04 0.17 -1.27 117.51 122.00 1gh8 h ILE 26 Ca 0.00 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1gh8 h ILE 26 Cb 0.58 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1gh8 h ILE 26 CO 0.04 0.22 0.48 1.56 0.00 0.00 0.00 178.15 180.45 1gh8 h GLN 27 N 0.76 1.10 0.00 2.37 4.20 -1.27 -0.47 115.11 121.80 1gh8 h GLN 27 Ca 0.20 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1gh8 h GLN 27 Cb 0.09 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1gh8 h GLN 27 CO -0.03 0.77 -0.15 1.05 -0.67 0.00 0.00 178.83 179.81 1gh8 h GLU 28 N 1.12 0.00 -0.00 1.46 4.11 -1.44 -3.11 114.58 116.71 1gh8 h GLU 28 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1gh8 h GLU 28 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1gh8 h GLU 28 CO -0.05 0.15 -0.55 2.89 0.07 0.00 0.00 179.01 181.51 1gh8 n ARG 29 N -3.17 0.01 -1.75 1.06 1.85 -0.50 -4.93 116.66 109.23 1gh8 n ARG 29 Ca 0.03 -0.01 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 1gh8 n ARG 29 Cb 0.53 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.44 1gh8 n ARG 29 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1gh8 n ILE 30 N -1.48 1.56 -1.58 8.89 2.08 -0.26 -4.73 119.36 123.83 1gh8 n ILE 30 Ca 0.05 -0.39 -0.52 0.00 0.56 0.00 0.00 62.75 62.46 1gh8 n ILE 30 Cb 0.33 -1.92 -0.06 0.00 -0.75 0.00 0.00 39.64 37.24 1gh8 n ILE 30 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1gh8 n PRO 31 N 1.22 1.40 0.00 0.38 -0.04 -1.26 -4.78 135.00 131.91 1gh8 n PRO 31 Ca 0.05 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1gh8 n PRO 31 Cb 0.37 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1gh8 n PRO 31 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1gh8 n GLU 32 N 7.14 0.00 -0.07 0.54 1.02 -1.26 -2.71 120.64 125.30 1gh8 n GLU 32 Ca 0.33 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.36 1gh8 n GLU 32 Cb 0.23 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.09 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1gh8 h GLY 33 N 0.00 0.00 0.00 0.62 0.00 -1.82 -3.48 103.07 98.39 1gh8 h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gh8 h GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1gh8 n THR 34 N -4.62 0.00 -4.24 4.70 -1.04 -1.10 -4.82 114.28 103.16 1gh8 n THR 34 Ca -0.12 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.76 1gh8 n THR 34 Cb 0.38 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.79 1gh8 n THR 34 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1gh8 s GLU 35 N 4.75 1.25 1.08 -2.82 -1.05 -1.26 -4.89 118.70 115.75 1gh8 s GLU 35 Ca 0.00 -1.66 -0.18 0.00 -0.15 0.00 0.00 54.97 52.99 1gh8 s GLU 35 Cb 0.00 0.02 0.24 0.00 -0.44 0.00 0.00 34.13 33.95 1gh8 s GLU 35 CO 0.00 -0.32 1.22 -0.48 0.95 0.00 0.00 175.26 176.63 1gh8 s LEU 36 N -3.21 1.76 0.00 1.83 0.05 -1.26 -2.51 118.68 115.34 1gh8 s LEU 36 Ca 0.36 0.44 0.00 0.00 0.05 0.00 0.00 54.13 54.98 1gh8 s LEU 36 Cb 0.07 -2.34 0.00 0.00 -2.05 0.00 0.00 46.19 41.87 1gh8 s LEU 36 CO 0.11 -3.39 0.00 1.57 -0.55 0.00 0.00 176.35 174.09 1gh8 n HIS 37 N -4.24 0.00 -3.64 3.48 -0.00 0.24 -3.26 115.22 107.81 1gh8 n HIS 37 Ca 0.14 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.79 1gh8 n HIS 37 Cb 0.59 0.10 -0.07 0.00 -0.00 0.00 0.00 29.99 30.62 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1gh8 s LYS 38 N -0.37 0.68 0.35 1.57 -0.14 -1.20 -4.95 119.74 115.67 1gh8 s LYS 38 Ca 0.00 1.11 -0.01 0.00 -1.36 0.00 0.00 55.97 55.71 1gh8 s LYS 38 Cb 0.00 0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 36.29 1gh8 s LYS 38 CO 0.00 -0.13 0.57 0.42 -0.76 0.00 0.00 175.35 175.44 1gh8 s ILE 39 N 1.37 5.08 -0.12 2.17 1.01 -1.25 -1.28 121.20 128.18 1gh8 s ILE 39 Ca -0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 1gh8 s ILE 39 Cb -0.05 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.60 1gh8 s ILE 39 CO -0.16 -0.55 -0.07 -0.62 0.00 0.00 0.00 174.94 173.54 1gh8 s ASP 40 N -3.92 2.26 -1.33 3.58 2.15 -0.35 -4.84 116.67 114.22 1gh8 s ASP 40 Ca 0.41 -0.35 -0.15 0.00 0.43 0.00 0.00 52.55 52.89 1gh8 s ASP 40 Cb -0.10 -0.84 0.09 0.00 -0.30 0.00 0.00 42.92 41.77 1gh8 s ASP 40 CO 0.36 -0.13 1.87 -0.62 -0.17 0.00 0.00 175.17 176.48 1gh8 n GLU 41 N 4.94 3.17 -3.72 4.34 1.02 -1.26 -0.51 120.64 128.62 1gh8 n GLU 41 Ca -0.12 -3.19 -0.36 0.00 -0.02 0.00 0.00 57.16 53.47 1gh8 n GLU 41 Cb 0.50 -3.29 -0.07 0.00 -0.02 0.00 0.00 31.44 28.56 1gh8 n GLU 41 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1gh8 s GLU 42 N 2.98 3.91 0.44 3.49 2.02 0.48 -4.92 118.70 127.09 1gh8 s GLU 42 Ca 0.48 -0.06 -0.08 0.00 0.02 0.00 0.00 54.97 55.33 1gh8 s GLU 42 Cb 0.07 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 1gh8 s GLU 42 CO 0.00 0.49 0.78 -1.25 0.02 0.00 0.00 175.26 175.31 1gh8 s PRO 43 N -0.25 3.68 0.00 0.39 0.04 -1.26 0.16 135.00 137.76 1gh8 s PRO 43 Ca 0.14 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1gh8 s PRO 43 Cb -0.12 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1gh8 s PRO 43 CO 0.03 -0.11 0.00 -0.89 0.04 0.00 0.00 177.00 176.07 1gh8 n ILE 44 N -1.69 0.00 0.00 0.56 2.08 0.08 -4.74 119.36 115.65 1gh8 n ILE 44 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1gh8 n ILE 44 Cb 0.54 -0.24 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 1gh8 n ILE 44 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gh8 n ALA 45 N -1.70 0.00 0.16 -1.39 0.00 -1.13 -4.88 120.51 111.57 1gh8 n ALA 45 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1gh8 n ALA 45 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1gh8 n ALA 45 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1gh8 h PHE 46 N -0.13 0.00 0.00 0.00 0.04 -2.03 -3.38 116.94 111.44 1gh8 h PHE 46 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1gh8 h PHE 46 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1gh8 h PHE 46 CO 0.00 0.50 0.00 0.41 -0.60 0.00 0.00 178.31 178.62 1gh8 n GLY 47 N 0.19 0.28 3.43 -1.45 0.00 -1.26 -5.06 105.19 101.32 1gh8 n GLY 47 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1gh8 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gh8 s LEU 48 N 0.00 4.84 -0.15 0.99 1.43 -1.26 -4.94 118.68 119.59 1gh8 s LEU 48 Ca 0.00 -1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 51.89 1gh8 s LEU 48 Cb 0.00 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1gh8 s LEU 48 CO 0.00 -1.17 0.37 -0.69 0.23 0.00 0.00 176.35 175.09 1gh8 s VAL 49 N 3.23 5.25 0.27 -1.59 1.01 -1.26 -0.74 120.40 126.58 1gh8 s VAL 49 Ca 0.18 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 1gh8 s VAL 49 Cb -0.20 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1gh8 s VAL 49 CO 0.10 0.35 0.47 0.00 0.00 0.00 0.00 175.10 176.03 1gh8 s ALA 50 N 0.61 3.75 -0.17 5.51 0.00 0.42 -4.75 121.76 127.12 1gh8 s ALA 50 Ca 0.20 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1gh8 s ALA 50 Cb -0.14 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.93 1gh8 s ALA 50 CO 0.07 0.21 -0.20 -0.51 0.00 0.00 0.00 175.76 175.33 1gh8 s LEU 51 N -3.79 2.10 -0.85 0.00 1.43 -0.12 -0.39 118.68 117.06 1gh8 s LEU 51 Ca 0.39 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 1gh8 s LEU 51 Cb -0.10 -1.46 0.12 0.00 0.03 0.00 0.00 46.19 44.78 1gh8 s LEU 51 CO 0.32 0.02 1.05 0.20 0.23 0.00 0.00 176.35 178.17 1gh8 s ASN 52 N 1.19 6.51 -0.58 2.29 0.02 0.34 -1.75 114.94 122.95 1gh8 s ASN 52 Ca 0.02 -1.80 -0.24 0.00 -1.02 0.00 0.00 52.86 49.82 1gh8 s ASN 52 Cb -0.14 -2.39 0.04 0.00 0.02 0.00 0.00 41.25 38.79 1gh8 s ASN 52 CO -0.10 -1.13 0.97 -0.69 0.02 0.00 0.00 177.10 176.17 1gh8 s VAL 53 N 2.90 4.33 0.62 1.60 1.01 0.10 -1.21 120.40 129.75 1gh8 s VAL 53 Ca 0.29 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1gh8 s VAL 53 Cb -0.09 -4.58 0.01 0.00 0.00 0.00 0.00 36.38 31.72 1gh8 s VAL 53 CO -0.04 -1.20 0.95 -0.04 0.00 0.00 0.00 175.10 174.76 1gh8 s MET 54 N 4.08 2.93 -0.00 2.72 -1.94 -0.40 -1.66 119.30 125.03 1gh8 s MET 54 Ca 0.30 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.41 1gh8 s MET 54 Cb -0.13 -2.21 0.00 0.00 2.01 0.00 0.00 34.83 34.51 1gh8 s MET 54 CO 0.18 -0.77 -0.01 0.14 -0.01 0.00 0.00 175.02 174.55 1gh8 s VAL 55 N -3.08 0.07 -0.40 -6.03 -7.23 -0.37 0.82 120.40 104.17 1gh8 s VAL 55 Ca 0.55 -0.03 -0.20 0.00 -1.81 0.00 0.00 61.98 60.49 1gh8 s VAL 55 Cb -0.11 -0.08 0.01 0.00 0.56 0.00 0.00 36.38 36.77 1gh8 s VAL 55 CO 0.47 0.03 0.61 -0.69 -0.31 0.00 0.00 175.10 175.20 1gh8 s VAL 56 N 0.03 4.89 -0.01 1.32 1.01 -1.04 -2.05 120.40 124.55 1gh8 s VAL 56 Ca -0.00 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1gh8 s VAL 56 Cb -0.01 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1gh8 s VAL 56 CO -0.00 -0.44 -0.15 0.68 0.00 0.00 0.00 175.10 175.18 1gh8 s VAL 57 N 2.68 1.20 0.01 2.92 -7.23 -0.00 -4.19 120.40 115.79 1gh8 s VAL 57 Ca 0.22 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1gh8 s VAL 57 Cb -0.15 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.78 1gh8 s VAL 57 CO 0.17 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1gh8 n GLY 58 N 2.63 -1.88 0.07 2.32 0.00 -1.26 -1.86 105.19 105.20 1gh8 n GLY 58 Ca -0.15 0.50 0.14 0.00 0.00 0.00 0.00 46.02 46.51 1gh8 n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gh8 n ASP 59 N -2.35 0.28 -3.65 1.61 5.75 -1.26 -4.83 116.55 112.10 1gh8 n ASP 59 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 1gh8 n ASP 59 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gh8 n ALA 60 N -1.08 0.00 -3.00 2.12 0.00 -1.26 -5.11 120.51 112.18 1gh8 n ALA 60 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1gh8 n ALA 60 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1gh8 n ALA 60 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gh8 n GLU 61 N 0.00 0.00 -0.03 0.00 0.28 -1.26 -5.00 120.64 114.62 1gh8 n GLU 61 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1gh8 n GLU 61 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 1gh8 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1gh8 n GLY 62 N 0.00 0.20 0.00 -1.84 0.00 -1.26 -3.81 105.19 98.48 1gh8 n GLY 62 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1gh8 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gh8 n GLY 63 N 0.34 -0.76 0.00 -0.02 0.00 -1.26 -1.98 105.19 101.51 1gh8 n GLY 63 Ca 0.01 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1gh8 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gh8 n THR 64 N -1.30 0.17 0.22 2.61 -2.24 -1.25 -2.75 114.28 109.75 1gh8 n THR 64 Ca 0.06 0.04 0.18 0.00 -2.27 0.00 0.00 64.05 62.07 1gh8 n THR 64 Cb 0.11 -0.68 0.84 0.00 -2.10 0.00 0.00 70.33 68.51 1gh8 n THR 64 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1gh8 h GLU 65 N 0.00 0.00 -0.30 -0.78 4.11 -1.74 -0.05 114.58 115.82 1gh8 h GLU 65 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.52 1gh8 h GLU 65 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1gh8 h GLU 65 CO 0.00 0.00 0.25 0.00 0.07 0.00 0.00 179.01 179.33 1gh8 h ALA 66 N 1.61 2.15 0.64 1.06 0.00 -1.82 -1.53 119.26 121.37 1gh8 h ALA 66 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1gh8 h ALA 66 Cb 0.64 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1gh8 h ALA 66 CO -0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 179.25 178.53 1gh8 h ALA 67 N 1.78 -0.86 -0.54 0.00 0.00 -1.28 0.14 119.26 118.50 1gh8 h ALA 67 Ca 0.14 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1gh8 h ALA 67 Cb 0.64 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1gh8 h ALA 67 CO -0.00 -0.95 0.36 0.93 0.00 0.00 0.00 179.25 179.59 1gh8 h GLU 68 N -0.93 0.55 0.21 0.00 5.08 -1.53 -0.27 114.58 117.69 1gh8 h GLU 68 Ca -0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1gh8 h GLU 68 Cb 0.68 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1gh8 h GLU 68 CO 0.14 0.36 -0.10 1.49 -1.00 0.00 0.00 179.01 179.91 1gh8 h GLU 69 N 0.57 -0.27 0.00 2.33 4.81 -0.82 -1.77 114.58 119.43 1gh8 h GLU 69 Ca 0.22 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1gh8 h GLU 69 Cb 0.17 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1gh8 h GLU 69 CO -0.06 -0.11 0.00 0.66 -0.73 0.00 0.00 179.01 178.77 1gh8 h SER 70 N -0.36 0.00 0.72 1.04 4.64 -0.02 -1.20 113.55 118.37 1gh8 h SER 70 Ca -0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1gh8 h SER 70 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1gh8 h SER 70 CO 0.05 0.00 -0.54 -0.07 -0.87 0.00 0.00 176.83 175.40 1gh8 h LEU 71 N 0.00 0.00 -0.69 5.97 -0.00 -0.18 0.63 115.31 121.04 1gh8 h LEU 71 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1gh8 h LEU 71 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1gh8 h LEU 71 CO 0.00 0.54 0.00 -0.24 -0.00 0.00 0.00 178.44 178.74 1gh8 n SER 72 N -3.69 0.38 -0.93 -0.43 2.88 -0.45 -2.90 113.62 108.47 1gh8 n SER 72 Ca -0.01 0.64 -0.01 0.00 -1.33 0.00 0.00 58.87 58.16 1gh8 n SER 72 Cb 0.59 -0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 1gh8 n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gh8 n GLY 73 N -0.76 0.74 0.00 0.46 0.00 -0.99 -5.12 105.19 99.52 1gh8 n GLY 73 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1gh8 n GLY 73 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1gh8 n ILE 74 N 0.13 0.00 -1.53 -0.61 3.06 0.22 -4.75 119.36 115.88 1gh8 n ILE 74 Ca -0.08 0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 59.92 1gh8 n ILE 74 Cb 0.77 -1.35 -0.12 0.00 0.54 0.00 0.00 39.64 39.48 1gh8 n ILE 74 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1gh8 n GLU 75 N -0.30 0.39 0.21 9.51 4.71 -1.26 -4.73 120.64 129.17 1gh8 n GLU 75 Ca 0.00 -0.28 0.16 0.00 -0.01 0.00 0.00 57.16 57.03 1gh8 n GLU 75 Cb 0.00 -2.45 0.82 0.00 -1.01 0.00 0.00 31.44 28.79 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1gh8 h GLY 76 N 16.69 0.00 0.67 0.62 0.00 -1.96 -1.76 103.07 117.33 1gh8 h GLY 76 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.92 1gh8 h GLY 76 CO 1.29 0.00 -1.95 -0.24 0.00 0.00 0.00 176.54 175.64 1gh8 h VAL 77 N 0.00 0.68 -3.31 4.60 3.04 -1.95 -3.42 116.25 115.89 1gh8 h VAL 77 Ca 0.07 -2.38 -0.75 0.00 -1.01 0.00 0.00 66.70 62.63 1gh8 h VAL 77 Cb 0.38 2.55 -0.23 0.00 -2.01 0.00 0.00 31.29 31.99 1gh8 h VAL 77 CO -0.00 0.89 0.31 -0.44 -1.01 0.00 0.00 177.57 177.32 1gh8 s SER 78 N -7.07 6.67 0.17 3.17 0.01 -0.66 -0.60 113.70 115.39 1gh8 s SER 78 Ca -0.21 -2.39 -0.30 0.00 1.31 0.00 0.00 55.95 54.36 1gh8 s SER 78 Cb 0.06 -2.27 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 1gh8 s SER 78 CO 0.79 -0.77 1.01 0.21 0.41 0.00 0.00 173.24 174.89 1gh8 s ASN 79 N 2.75 7.44 -0.01 2.44 3.04 -0.97 -4.36 114.94 125.27 1gh8 s ASN 79 Ca 0.22 1.95 -0.02 0.00 0.04 0.00 0.00 52.86 55.05 1gh8 s ASN 79 Cb -0.10 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.97 1gh8 s ASN 79 CO -0.08 -0.07 0.15 -0.63 -3.04 0.00 0.00 177.10 173.43 1gh8 s ILE 80 N -0.41 5.20 -1.33 -5.21 1.01 -1.26 -2.71 121.20 116.48 1gh8 s ILE 80 Ca 0.46 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 1gh8 s ILE 80 Cb -0.26 -3.41 0.12 0.00 0.01 0.00 0.00 42.46 38.91 1gh8 s ILE 80 CO 0.33 0.33 1.95 1.21 0.00 0.00 0.00 174.94 178.76 1gh8 n GLU 81 N 1.03 3.33 -1.03 2.79 4.07 0.15 -4.82 120.64 126.16 1gh8 n GLU 81 Ca -0.12 -3.24 -0.14 0.00 -0.06 0.00 0.00 57.16 53.60 1gh8 n GLU 81 Cb 0.53 -3.09 -0.16 0.00 -0.06 0.00 0.00 31.44 28.66 1gh8 n GLU 81 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1gh8 n VAL 82 N 4.18 3.10 -0.65 6.31 0.31 -1.26 -3.32 118.33 127.00 1gh8 n VAL 82 Ca 0.44 -1.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.18 1gh8 n VAL 82 Cb 0.38 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1gh8 n VAL 82 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1gh8 n THR 83 N 2.56 0.22 -3.08 2.52 -1.04 -1.26 -5.06 114.28 109.15 1gh8 n THR 83 Ca 0.46 -0.29 -0.36 0.00 -2.04 0.00 0.00 64.05 61.82 1gh8 n THR 83 Cb 0.87 1.12 -0.06 0.00 -1.82 0.00 0.00 70.33 70.44 1gh8 n THR 83 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1gh8 s ASP 84 N -0.22 7.07 0.16 8.00 -1.08 -1.14 -5.02 116.67 124.44 1gh8 s ASP 84 Ca 0.00 1.44 -0.09 0.00 -0.52 0.00 0.00 52.55 53.39 1gh8 s ASP 84 Cb 0.00 -2.43 -0.01 0.00 -1.46 0.00 0.00 42.92 39.02 1gh8 s ASP 84 CO 0.00 0.02 0.27 0.54 0.52 0.00 0.00 175.17 176.52 1gh8 s VAL 85 N -1.54 0.07 -0.33 1.11 0.11 -1.26 -1.34 120.40 117.22 1gh8 s VAL 85 Ca 0.44 -1.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1gh8 s VAL 85 Cb -0.17 -1.81 0.15 0.00 -1.53 0.00 0.00 36.38 33.02 1gh8 s VAL 85 CO 0.21 -0.32 0.38 -0.13 -3.33 0.00 0.00 175.10 171.91 1gh8 s ARG 86 N -3.96 0.51 -1.05 1.54 0.52 0.25 -4.81 118.95 111.95 1gh8 s ARG 86 Ca 0.17 -0.35 -0.21 0.00 -0.52 0.00 0.00 55.73 54.81 1gh8 s ARG 86 Cb 0.04 -0.52 0.07 0.00 0.52 0.00 0.00 34.95 35.05 1gh8 s ARG 86 CO -0.01 -1.11 1.44 1.03 0.02 0.00 0.00 175.30 176.67 1gh8 s ARG 87 N 2.02 3.65 -0.92 3.54 1.81 -1.26 -1.05 118.95 126.75 1gh8 s ARG 87 Ca 0.13 -1.37 -0.23 0.00 -1.72 0.00 0.00 55.73 52.54 1gh8 s ARG 87 Cb -0.13 -5.31 0.06 0.00 -0.45 0.00 0.00 34.95 29.12 1gh8 s ARG 87 CO -0.19 -2.14 1.33 -0.51 -0.68 0.00 0.00 175.30 173.12 1gh8 s LEU 88 N 4.45 3.71 0.00 2.53 1.43 -0.92 -5.01 118.68 124.87 1gh8 s LEU 88 Ca 0.45 -1.28 0.27 0.00 -1.03 0.00 0.00 54.13 52.54 1gh8 s LEU 88 Cb -0.00 -2.53 0.92 0.00 0.03 0.00 0.00 46.19 44.61 1gh8 s LEU 88 CO -0.07 -1.52 1.67 1.15 0.23 0.00 0.00 176.35 177.81