#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 0.82 3.91 -5.12 0.00 0.33 -4.15 105.19 100.98 1gh8 n GLY 2 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1gh8 n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gh8 s ASP 3 N -0.02 6.34 -0.24 1.61 1.11 -0.63 -4.85 116.67 119.98 1gh8 s ASP 3 Ca 0.00 0.87 -0.07 0.00 0.18 0.00 0.00 52.55 53.53 1gh8 s ASP 3 Cb 0.00 -2.22 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 1gh8 s ASP 3 CO 0.00 -0.46 0.05 -0.69 1.18 0.00 0.00 175.17 175.25 1gh8 s VAL 4 N -2.53 4.16 -0.27 -1.27 1.01 0.17 -0.35 120.40 121.32 1gh8 s VAL 4 Ca 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1gh8 s VAL 4 Cb -0.10 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1gh8 s VAL 4 CO 0.39 0.36 -0.02 -0.69 0.00 0.00 0.00 175.10 175.15 1gh8 s VAL 5 N 1.50 3.16 0.52 2.92 1.01 0.57 -1.20 120.40 128.88 1gh8 s VAL 5 Ca 0.06 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1gh8 s VAL 5 Cb -0.15 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1gh8 s VAL 5 CO 0.02 0.11 0.75 0.00 0.00 0.00 0.00 175.10 175.99 1gh8 s ALA 6 N 1.35 3.84 -0.05 5.51 0.00 -0.96 0.72 121.76 132.17 1gh8 s ALA 6 Ca -0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1gh8 s ALA 6 Cb -0.17 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 20.87 1gh8 s ALA 6 CO -0.02 -0.64 0.11 0.99 0.00 0.00 0.00 175.76 176.20 1gh8 s THR 7 N -2.71 -0.04 -0.30 0.00 2.01 -0.29 -1.21 115.64 113.11 1gh8 s THR 7 Ca 0.55 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1gh8 s THR 7 Cb -0.10 -0.18 0.08 0.00 0.01 0.00 0.00 72.50 72.30 1gh8 s THR 7 CO 0.38 0.06 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.71 1gh8 s ILE 8 N 0.89 2.15 -0.78 1.82 -1.09 -0.68 -3.11 121.20 120.40 1gh8 s ILE 8 Ca -0.07 -1.93 -0.18 0.00 -2.23 0.00 0.00 60.65 56.24 1gh8 s ILE 8 Cb -0.09 -2.42 0.14 0.00 -1.58 0.00 0.00 42.46 38.50 1gh8 s ILE 8 CO -0.04 -0.31 0.90 -0.54 -1.23 0.00 0.00 174.94 173.72 1gh8 s LYS 9 N 1.04 3.39 -0.04 2.79 -0.14 -1.22 0.00 119.74 125.56 1gh8 s LYS 9 Ca 0.01 -1.73 -0.16 0.00 -1.36 0.00 0.00 55.97 52.73 1gh8 s LYS 9 Cb -0.19 -4.55 -0.05 0.00 -1.68 0.00 0.00 37.83 31.35 1gh8 s LYS 9 CO -0.07 -1.59 0.42 0.14 -0.76 0.00 0.00 175.35 173.50 1gh8 s VAL 10 N 2.17 5.08 -0.15 3.17 -7.23 -0.61 0.10 120.40 122.94 1gh8 s VAL 10 Ca 0.22 0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 61.20 1gh8 s VAL 10 Cb -0.13 -3.74 0.07 0.00 0.56 0.00 0.00 36.38 33.14 1gh8 s VAL 10 CO -0.03 0.49 0.29 0.00 -0.31 0.00 0.00 175.10 175.54 1gh8 s MET 11 N -0.46 0.18 -0.06 4.82 0.23 -1.13 -0.47 119.30 122.41 1gh8 s MET 11 Ca 0.24 0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 55.36 1gh8 s MET 11 Cb -0.16 -0.04 -0.05 0.00 -1.53 0.00 0.00 34.83 33.05 1gh8 s MET 11 CO 0.12 -0.31 1.57 -2.14 -2.03 0.00 0.00 175.02 172.23 1gh8 s PRO 12 N 2.45 4.20 0.54 3.16 0.02 -1.26 -2.26 135.00 141.85 1gh8 s PRO 12 Ca 0.01 2.10 0.23 0.00 0.02 0.00 0.00 61.00 63.36 1gh8 s PRO 12 Cb -0.12 -3.89 1.41 0.00 0.02 0.00 0.00 34.50 31.92 1gh8 s PRO 12 CO -0.09 -0.79 2.07 0.93 -0.33 0.00 0.00 177.00 178.78 1gh8 h GLU 13 N 9.09 0.00 -7.16 5.54 5.08 -1.16 -3.43 114.58 122.55 1gh8 h GLU 13 Ca -0.37 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.51 1gh8 h GLU 13 Cb 1.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.44 1gh8 h GLU 13 CO 0.95 0.00 0.37 -1.54 -1.00 0.00 0.00 179.01 177.79 1gh8 s SER 14 N -6.42 6.41 0.00 1.42 1.04 -1.26 -4.93 113.70 109.96 1gh8 s SER 14 Ca -0.05 1.70 0.13 0.00 0.48 0.00 0.00 55.95 58.21 1gh8 s SER 14 Cb 0.18 -2.53 0.61 0.00 0.10 0.00 0.00 66.02 64.38 1gh8 s SER 14 CO 0.67 -0.73 1.35 -0.81 0.98 0.00 0.00 173.24 174.70 1gh8 n PRO 15 N -1.48 0.12 -0.77 4.02 -0.04 -1.26 -2.69 135.00 132.90 1gh8 n PRO 15 Ca 0.08 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.59 1gh8 n PRO 15 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.57 1gh8 n PRO 15 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gh8 n ASP 16 N -1.36 4.83 -4.58 3.54 9.92 -1.26 -4.85 116.55 122.79 1gh8 n ASP 16 Ca 0.05 -2.97 -0.26 0.00 -0.53 0.00 0.00 54.79 51.08 1gh8 n ASP 16 Cb 0.12 -0.85 -0.07 0.00 -0.64 0.00 0.00 41.12 39.68 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1gh8 s VAL 17 N -2.09 3.45 -0.72 2.53 0.11 -1.09 -4.88 120.40 117.70 1gh8 s VAL 17 Ca 0.32 -0.71 -0.26 0.00 -2.93 0.00 0.00 61.98 58.40 1gh8 s VAL 17 Cb 0.26 -4.38 -0.00 0.00 -1.53 0.00 0.00 36.38 30.73 1gh8 s VAL 17 CO 0.03 -0.83 1.64 -1.81 -3.33 0.00 0.00 175.10 170.80 1gh8 s ASP 18 N 7.09 5.65 0.23 3.54 1.01 -1.26 -4.82 116.67 128.12 1gh8 s ASP 18 Ca 0.71 -0.20 -0.05 0.00 0.71 0.00 0.00 52.55 53.72 1gh8 s ASP 18 Cb -0.02 -2.55 0.24 0.00 1.01 0.00 0.00 42.92 41.60 1gh8 s ASP 18 CO 0.12 -2.17 1.75 0.17 0.21 0.00 0.00 175.17 175.25 1gh8 h LEU 19 N 15.17 0.93 -0.52 1.23 -0.00 -1.89 0.36 115.31 130.58 1gh8 h LEU 19 Ca -0.18 -0.20 -0.14 0.00 -0.00 0.00 0.00 57.88 57.36 1gh8 h LEU 19 Cb 1.09 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1gh8 h LEU 19 CO 1.26 0.92 -0.33 -0.08 -0.00 0.00 0.00 178.44 180.20 1gh8 h GLU 20 N 0.93 0.85 -0.28 0.17 4.57 -1.99 0.62 114.58 119.45 1gh8 h GLU 20 Ca 0.19 -0.41 -0.16 0.00 -1.18 0.00 0.00 59.36 57.80 1gh8 h GLU 20 Cb 0.37 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1gh8 h GLU 20 CO 0.01 1.05 -0.48 0.00 -1.18 0.00 0.00 179.01 178.40 1gh8 h ALA 21 N 0.91 0.62 0.00 2.92 0.00 -1.91 -2.70 119.26 119.10 1gh8 h ALA 21 Ca 0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1gh8 h ALA 21 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1gh8 h ALA 21 CO 0.08 0.68 -0.36 -0.07 0.00 0.00 0.00 179.25 179.58 1gh8 h LEU 22 N 0.60 0.00 -0.45 0.00 3.38 0.12 -2.91 115.31 116.05 1gh8 h LEU 22 Ca 0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1gh8 h LEU 22 Cb 1.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1gh8 h LEU 22 CO 0.10 0.36 0.19 0.11 0.09 0.00 0.00 178.44 179.29 1gh8 h LYS 23 N 0.00 0.37 -0.40 1.13 1.57 0.58 0.67 116.57 120.49 1gh8 h LYS 23 Ca -0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1gh8 h LYS 23 Cb 0.68 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1gh8 h LYS 23 CO 0.05 0.24 -0.27 1.57 -0.57 0.00 0.00 179.45 180.47 1gh8 h LYS 24 N 0.38 0.89 0.00 3.15 2.10 -1.50 -2.81 116.57 118.79 1gh8 h LYS 24 Ca 0.20 -0.42 -0.04 0.00 -2.00 0.00 0.00 60.65 58.39 1gh8 h LYS 24 Cb 0.16 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1gh8 h LYS 24 CO -0.18 1.07 -0.21 0.93 -2.00 0.00 0.00 179.45 179.06 1gh8 h GLU 25 N 0.71 0.00 -0.37 0.07 4.39 -1.19 -2.79 114.58 115.40 1gh8 h GLU 25 Ca 0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1gh8 h GLU 25 Cb 0.85 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1gh8 h GLU 25 CO 0.07 0.21 0.17 0.82 -1.16 0.00 0.00 179.01 179.12 1gh8 h ILE 26 N 0.00 1.17 -0.50 3.13 2.04 0.60 -2.17 117.51 121.79 1gh8 h ILE 26 Ca -0.00 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1gh8 h ILE 26 Cb 0.43 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1gh8 h ILE 26 CO 0.03 0.19 0.33 1.56 0.00 0.00 0.00 178.15 180.25 1gh8 h GLN 27 N 0.45 0.61 0.00 2.37 1.08 -1.43 -0.92 115.11 117.26 1gh8 h GLN 27 Ca 0.12 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1gh8 h GLN 27 Cb 0.14 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1gh8 h GLN 27 CO -0.01 0.40 -0.19 0.93 -0.95 0.00 0.00 178.83 179.01 1gh8 h GLU 28 N 0.62 0.00 0.00 1.46 4.39 -1.46 -3.07 114.58 116.52 1gh8 h GLU 28 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1gh8 h GLU 28 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1gh8 h GLU 28 CO -0.05 0.19 -0.65 0.07 -1.16 0.00 0.00 179.01 177.41 1gh8 h ARG 29 N 0.00 0.00 -6.79 2.33 0.11 -0.56 -3.47 114.38 105.99 1gh8 h ARG 29 Ca -0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 1gh8 h ARG 29 Cb 0.89 0.00 0.10 0.00 1.11 0.00 0.00 29.97 32.07 1gh8 h ARG 29 CO 0.02 0.00 0.73 -0.89 0.10 0.00 0.00 179.97 179.93 1gh8 n ILE 30 N -2.15 1.51 -1.70 0.08 2.08 -0.81 -4.78 119.36 113.60 1gh8 n ILE 30 Ca 0.03 -0.38 -0.44 0.00 0.56 0.00 0.00 62.75 62.53 1gh8 n ILE 30 Cb 0.45 -1.81 -0.03 0.00 -0.75 0.00 0.00 39.64 37.50 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 1.28 2.52 0.00 0.38 -0.04 -1.26 -4.83 135.00 133.04 1gh8 n PRO 31 Ca 0.06 0.91 0.01 0.00 -0.04 0.00 0.00 63.50 64.44 1gh8 n PRO 31 Cb 0.36 -2.71 0.06 0.00 -0.04 0.00 0.00 33.50 31.17 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 3.51 0.07 -0.05 0.54 1.02 -1.26 -3.11 120.64 121.36 1gh8 n GLU 32 Ca 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.29 1gh8 n GLU 32 Cb 0.33 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.33 0.00 0.00 0.62 0.00 -1.83 -3.48 103.07 98.72 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 -4.51 0.00 -4.26 4.70 -1.04 -1.18 -4.79 114.28 103.19 1gh8 n THR 34 Ca -0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 1gh8 n THR 34 Cb 0.05 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.46 1gh8 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1gh8 s GLU 35 N 4.12 1.24 0.69 -2.82 0.41 -1.26 -4.82 118.70 116.25 1gh8 s GLU 35 Ca 0.00 -1.64 -0.12 0.00 -0.41 0.00 0.00 54.97 52.80 1gh8 s GLU 35 Cb 0.00 -0.16 0.17 0.00 -1.78 0.00 0.00 34.13 32.36 1gh8 s GLU 35 CO 0.00 -0.25 0.77 1.47 -0.49 0.00 0.00 175.26 176.76 1gh8 n LEU 36 N -0.33 0.00 0.00 1.80 -0.00 -1.26 -2.54 117.00 114.67 1gh8 n LEU 36 Ca -0.02 -0.83 0.00 0.00 -0.00 0.00 0.00 56.01 55.16 1gh8 n LEU 36 Cb 0.65 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1gh8 n LEU 36 CO 0.35 -1.40 0.00 1.57 -0.00 0.00 0.00 177.39 177.91 1gh8 n HIS 37 N -3.55 0.00 -3.64 1.47 -0.00 0.20 -3.24 115.22 106.47 1gh8 n HIS 37 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.77 1gh8 n HIS 37 Cb 0.37 0.07 -0.07 0.00 -0.00 0.00 0.00 29.99 30.36 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1gh8 s LYS 38 N -0.26 0.56 0.33 1.57 2.47 -1.24 -4.97 119.74 118.20 1gh8 s LYS 38 Ca 0.00 1.00 -0.05 0.00 -1.56 0.00 0.00 55.97 55.35 1gh8 s LYS 38 Cb 0.00 0.15 -0.05 0.00 -1.46 0.00 0.00 37.83 36.47 1gh8 s LYS 38 CO 0.00 -0.12 0.60 0.42 0.16 0.00 0.00 175.35 176.41 1gh8 s ILE 39 N 1.58 4.99 -0.18 5.43 1.01 -1.25 -2.55 121.20 130.23 1gh8 s ILE 39 Ca -0.09 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1gh8 s ILE 39 Cb -0.05 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1gh8 s ILE 39 CO -0.18 -0.42 -0.16 -0.62 0.00 0.00 0.00 174.94 173.56 1gh8 s ASP 40 N -3.33 3.10 -1.39 3.58 -1.08 -0.48 -4.83 116.67 112.23 1gh8 s ASP 40 Ca 0.45 -0.67 -0.14 0.00 -0.52 0.00 0.00 52.55 51.67 1gh8 s ASP 40 Cb -0.10 -1.36 0.07 0.00 -1.46 0.00 0.00 42.92 40.07 1gh8 s ASP 40 CO 0.32 -0.05 2.07 -0.62 0.52 0.00 0.00 175.17 177.41 1gh8 n GLU 41 N 4.66 3.07 -3.62 4.34 1.02 -1.26 -0.79 120.64 128.06 1gh8 n GLU 41 Ca -0.19 -2.92 -0.37 0.00 -0.02 0.00 0.00 57.16 53.67 1gh8 n GLU 41 Cb 0.49 -3.24 -0.07 0.00 -0.02 0.00 0.00 31.44 28.61 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 2.73 3.97 0.43 3.49 2.02 0.41 -4.91 118.70 126.84 1gh8 s GLU 42 Ca 0.46 0.11 -0.09 0.00 0.02 0.00 0.00 54.97 55.47 1gh8 s GLU 42 Cb 0.11 -3.32 -0.06 0.00 0.10 0.00 0.00 34.13 30.97 1gh8 s GLU 42 CO -0.05 0.49 0.79 -1.25 0.02 0.00 0.00 175.26 175.26 1gh8 s PRO 43 N -0.30 3.72 0.00 0.39 0.04 -1.26 0.17 135.00 137.76 1gh8 s PRO 43 Ca 0.18 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1gh8 s PRO 43 Cb -0.14 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1gh8 s PRO 43 CO 0.06 -0.10 0.00 -0.89 0.04 0.00 0.00 177.00 176.11 1gh8 n ILE 44 N -1.60 0.00 0.00 0.56 2.08 0.04 -4.73 119.36 115.72 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 39.20 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 -1.66 0.00 0.15 -1.39 0.00 -1.11 -4.88 120.51 111.61 1gh8 n ALA 45 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gh8 n ALA 45 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.07 0.00 0.00 0.00 -1.00 -2.03 -3.38 116.94 110.46 1gh8 h PHE 46 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1gh8 h PHE 46 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1gh8 h PHE 46 CO 0.00 0.57 0.00 0.41 -1.61 0.00 0.00 178.31 177.68 1gh8 n GLY 47 N 0.18 0.20 3.44 -1.45 0.00 -1.26 -5.06 105.19 101.24 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 4.82 -0.14 0.99 1.43 -1.26 -4.95 118.68 119.57 1gh8 s LEU 48 Ca 0.00 -1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 51.93 1gh8 s LEU 48 Cb 0.00 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1gh8 s LEU 48 CO 0.00 -1.14 0.40 -0.69 0.23 0.00 0.00 176.35 175.15 1gh8 s VAL 49 N 3.19 5.23 0.14 -1.59 1.01 -1.26 -0.78 120.40 126.35 1gh8 s VAL 49 Ca 0.18 0.78 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 1gh8 s VAL 49 Cb -0.19 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1gh8 s VAL 49 CO 0.11 0.34 0.37 0.00 0.00 0.00 0.00 175.10 175.92 1gh8 s ALA 50 N 0.63 3.80 -0.22 5.51 0.00 0.45 -4.73 121.76 127.19 1gh8 s ALA 50 Ca 0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 1gh8 s ALA 50 Cb -0.14 -2.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 1gh8 s ALA 50 CO 0.08 0.67 -0.06 -0.51 0.00 0.00 0.00 175.76 175.94 1gh8 s LEU 51 N -2.66 2.86 -0.80 0.00 1.43 0.38 -0.44 118.68 119.44 1gh8 s LEU 51 Ca 0.41 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.83 1gh8 s LEU 51 Cb -0.12 -1.70 0.11 0.00 0.03 0.00 0.00 46.19 44.50 1gh8 s LEU 51 CO 0.25 -0.03 1.02 0.20 0.23 0.00 0.00 176.35 178.01 1gh8 s ASN 52 N 1.44 6.43 -0.61 2.29 0.02 0.03 -1.58 114.94 122.96 1gh8 s ASN 52 Ca 0.05 -1.64 -0.24 0.00 -1.02 0.00 0.00 52.86 50.01 1gh8 s ASN 52 Cb -0.14 -2.39 0.05 0.00 0.02 0.00 0.00 41.25 38.79 1gh8 s ASN 52 CO -0.04 -1.19 0.99 -0.69 0.02 0.00 0.00 177.10 176.19 1gh8 s VAL 53 N 3.10 4.28 0.68 1.60 1.01 0.10 -1.38 120.40 129.79 1gh8 s VAL 53 Ca 0.27 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1gh8 s VAL 53 Cb -0.11 -4.64 0.04 0.00 0.00 0.00 0.00 36.38 31.67 1gh8 s VAL 53 CO -0.01 -1.33 1.00 -0.04 0.00 0.00 0.00 175.10 174.72 1gh8 s MET 54 N 4.21 2.48 -0.01 2.72 -1.94 -1.06 -1.68 119.30 124.02 1gh8 s MET 54 Ca 0.28 -0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1gh8 s MET 54 Cb -0.14 -2.17 0.01 0.00 2.01 0.00 0.00 34.83 34.55 1gh8 s MET 54 CO 0.15 -1.07 0.01 0.14 -0.01 0.00 0.00 175.02 174.24 1gh8 s VAL 55 N -3.20 0.04 -0.36 -6.03 -7.23 -0.35 0.61 120.40 103.88 1gh8 s VAL 55 Ca 0.58 0.07 -0.17 0.00 -1.81 0.00 0.00 61.98 60.65 1gh8 s VAL 55 Cb -0.11 -0.11 -0.00 0.00 0.56 0.00 0.00 36.38 36.73 1gh8 s VAL 55 CO 0.46 0.06 0.44 -0.69 -0.31 0.00 0.00 175.10 175.06 1gh8 s VAL 56 N 0.52 5.09 0.12 1.32 1.01 -1.05 -2.28 120.40 125.13 1gh8 s VAL 56 Ca -0.04 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1gh8 s VAL 56 Cb -0.07 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1gh8 s VAL 56 CO -0.01 -0.22 -0.14 0.68 0.00 0.00 0.00 175.10 175.41 1gh8 s VAL 57 N 2.20 1.32 0.01 2.92 -7.23 -0.34 -4.20 120.40 115.08 1gh8 s VAL 57 Ca 0.15 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1gh8 s VAL 57 Cb -0.16 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.23 1gh8 s VAL 57 CO 0.13 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1gh8 n GLY 58 N 0.49 -2.00 0.01 2.32 0.00 -1.26 -0.65 105.19 104.09 1gh8 n GLY 58 Ca -0.15 0.67 0.15 0.00 0.00 0.00 0.00 46.02 46.69 1gh8 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gh8 n ASP 59 N -1.91 0.05 -3.61 1.61 2.03 -1.26 -4.80 116.55 108.67 1gh8 n ASP 59 Ca 0.00 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1gh8 n ASP 59 Cb 0.00 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gh8 n ALA 60 N -1.29 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.18 1gh8 n ALA 60 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 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 -0.01 0.00 0.28 -1.26 -5.00 120.64 114.65 1gh8 n GLU 61 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1gh8 n GLU 61 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 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 -0.32 0.00 -1.84 0.00 -1.26 -3.72 105.19 98.05 1gh8 n GLY 62 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 0.40 -0.90 0.00 -0.02 0.00 -1.26 -2.11 105.19 101.30 1gh8 n GLY 63 Ca 0.01 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.40 0.19 0.20 2.61 -2.24 -1.24 -2.70 114.28 109.70 1gh8 n THR 64 Ca 0.05 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.06 1gh8 n THR 64 Cb 0.15 -0.69 0.82 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.20 -0.78 4.11 -1.76 0.63 114.58 116.58 1gh8 h GLU 65 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.49 1gh8 h GLU 65 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1gh8 h GLU 65 CO 0.00 0.00 0.18 0.00 0.07 0.00 0.00 179.01 179.26 1gh8 h ALA 66 N 1.58 1.95 0.70 1.06 0.00 -1.82 -2.08 119.26 120.65 1gh8 h ALA 66 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gh8 h ALA 66 Cb 0.73 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1gh8 h ALA 66 CO -0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 179.25 178.63 1gh8 h ALA 67 N 1.82 -0.94 -0.56 0.00 0.00 -1.15 0.96 119.26 119.39 1gh8 h ALA 67 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1gh8 h ALA 67 Cb 0.46 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1gh8 h ALA 67 CO -0.00 -1.02 0.37 0.93 0.00 0.00 0.00 179.25 179.53 1gh8 h GLU 68 N -0.95 0.62 0.12 0.00 5.08 -1.57 -1.16 114.58 116.72 1gh8 h GLU 68 Ca -0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1gh8 h GLU 68 Cb 0.72 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1gh8 h GLU 68 CO 0.16 0.41 -0.06 1.49 -1.00 0.00 0.00 179.01 180.01 1gh8 h GLU 69 N 0.64 -0.16 0.00 2.33 4.22 -0.87 -1.63 114.58 119.11 1gh8 h GLU 69 Ca 0.22 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1gh8 h GLU 69 Cb 0.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1gh8 h GLU 69 CO -0.06 -0.07 0.00 1.03 -2.18 0.00 0.00 179.01 177.73 1gh8 h SER 70 N -0.20 0.00 0.75 1.04 0.87 -0.17 -1.44 113.55 114.40 1gh8 h SER 70 Ca -0.02 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 1gh8 h SER 70 Cb 0.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1gh8 h SER 70 CO 0.03 0.00 -0.54 -0.07 -0.53 0.00 0.00 176.83 175.72 1gh8 h LEU 71 N 0.00 0.00 -1.03 2.23 -0.00 -0.26 0.59 115.31 116.84 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 -3.67 0.54 -1.12 -0.43 2.88 -0.54 -2.85 113.62 108.43 1gh8 n SER 72 Ca -0.01 0.70 -0.02 0.00 -1.33 0.00 0.00 58.87 58.22 1gh8 n SER 72 Cb 0.59 -0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 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 -0.82 0.73 0.00 0.46 0.00 -1.01 -5.13 105.19 99.42 1gh8 n GLY 73 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.19 0.00 -1.53 -0.61 3.06 0.20 -4.78 119.36 115.90 1gh8 n ILE 74 Ca -0.11 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 59.78 1gh8 n ILE 74 Cb 0.86 -1.34 -0.10 0.00 0.54 0.00 0.00 39.64 39.60 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 -0.43 0.50 0.10 9.51 4.71 -1.26 -4.77 120.64 128.99 1gh8 n GLU 75 Ca 0.00 -0.06 0.02 0.00 -0.01 0.00 0.00 57.16 57.10 1gh8 n GLU 75 Cb 0.00 -2.48 0.36 0.00 -1.01 0.00 0.00 31.44 28.31 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 16.07 0.30 1.09 0.62 0.00 -1.97 -2.97 103.07 116.21 1gh8 h GLY 76 Ca -0.12 -0.19 -0.32 0.00 0.00 0.00 0.00 47.33 46.69 1gh8 h GLY 76 CO 1.28 0.18 -1.64 -2.08 0.00 0.00 0.00 176.54 174.28 1gh8 h VAL 77 N 0.27 1.03 -3.24 4.60 2.07 -1.95 -3.41 116.25 115.62 1gh8 h VAL 77 Ca 0.05 -2.69 -0.75 0.00 0.82 0.00 0.00 66.70 64.14 1gh8 h VAL 77 Cb 0.40 2.70 -0.22 0.00 -1.52 0.00 0.00 31.29 32.65 1gh8 h VAL 77 CO 0.02 0.81 0.40 -0.55 0.02 0.00 0.00 177.57 178.27 1gh8 s SER 78 N -6.97 6.71 0.11 0.57 0.15 -1.12 -0.48 113.70 112.66 1gh8 s SER 78 Ca -0.11 -2.42 -0.30 0.00 0.70 0.00 0.00 55.95 53.82 1gh8 s SER 78 Cb 0.07 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1gh8 s SER 78 CO 0.84 -0.78 1.06 0.21 1.20 0.00 0.00 173.24 175.78 1gh8 s ASN 79 N 2.77 7.31 0.05 5.45 3.04 -0.96 -4.40 114.94 128.20 1gh8 s ASN 79 Ca 0.24 1.93 0.00 0.00 0.04 0.00 0.00 52.86 55.07 1gh8 s ASN 79 Cb -0.08 -2.59 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 1gh8 s ASN 79 CO -0.09 -0.24 0.17 -0.63 -3.04 0.00 0.00 177.10 173.27 1gh8 s ILE 80 N 0.30 5.14 -1.33 -5.21 1.01 -1.26 -2.84 121.20 117.00 1gh8 s ILE 80 Ca 0.51 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 1gh8 s ILE 80 Cb -0.26 -3.48 0.12 0.00 0.01 0.00 0.00 42.46 38.85 1gh8 s ILE 80 CO 0.31 0.17 1.94 1.21 0.00 0.00 0.00 174.94 178.57 1gh8 n GLU 81 N 0.46 3.35 -1.04 2.79 4.07 0.12 -4.82 120.64 125.56 1gh8 n GLU 81 Ca -0.07 -3.26 -0.14 0.00 -0.06 0.00 0.00 57.16 53.62 1gh8 n GLU 81 Cb 0.51 -3.08 -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 4.14 3.11 -0.65 6.31 0.31 -1.26 -3.37 118.33 126.92 1gh8 n VAL 82 Ca 0.44 -1.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.14 1gh8 n VAL 82 Cb 0.38 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 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 2.52 0.21 -3.08 2.52 -1.04 -1.26 -5.06 114.28 109.09 1gh8 n THR 83 Ca 0.46 -0.28 -0.39 0.00 -2.04 0.00 0.00 64.05 61.79 1gh8 n THR 83 Cb 0.86 1.16 -0.06 0.00 -1.82 0.00 0.00 70.33 70.47 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 -0.21 7.25 0.02 8.00 2.15 -1.18 -5.02 116.67 127.67 1gh8 s ASP 84 Ca 0.00 1.48 -0.12 0.00 0.43 0.00 0.00 52.55 54.34 1gh8 s ASP 84 Cb 0.00 -2.44 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 1gh8 s ASP 84 CO 0.00 0.20 0.25 0.54 -0.17 0.00 0.00 175.17 175.99 1gh8 s VAL 85 N -0.94 0.08 -0.31 1.11 0.11 -1.26 -1.14 120.40 118.05 1gh8 s VAL 85 Ca 0.34 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.73 1gh8 s VAL 85 Cb -0.21 -0.73 0.15 0.00 -1.53 0.00 0.00 36.38 34.06 1gh8 s VAL 85 CO 0.23 -0.37 0.38 -0.60 -3.33 0.00 0.00 175.10 171.41 1gh8 s ARG 86 N -1.94 0.44 -0.46 1.54 3.52 0.22 -4.91 118.95 117.36 1gh8 s ARG 86 Ca -0.10 -0.10 -0.26 0.00 -0.13 0.00 0.00 55.73 55.14 1gh8 s ARG 86 Cb -0.04 -0.44 0.03 0.00 -1.56 0.00 0.00 34.95 32.94 1gh8 s ARG 86 CO -0.00 -1.06 0.95 1.03 -0.81 0.00 0.00 175.30 175.41 1gh8 s ARG 87 N 2.31 3.57 -1.08 5.12 1.81 -1.26 -0.31 118.95 129.09 1gh8 s ARG 87 Ca 0.11 0.22 -0.20 0.00 -1.72 0.00 0.00 55.73 54.14 1gh8 s ARG 87 Cb -0.13 -3.92 0.08 0.00 -0.45 0.00 0.00 34.95 30.53 1gh8 s ARG 87 CO -0.26 -1.24 1.45 -0.51 -0.68 0.00 0.00 175.30 174.06 1gh8 s LEU 88 N 3.84 4.05 0.00 2.53 1.43 0.52 -4.96 118.68 126.09 1gh8 s LEU 88 Ca 0.38 -1.96 0.26 0.00 -1.03 0.00 0.00 54.13 51.79 1gh8 s LEU 88 Cb -0.10 -2.52 0.73 0.00 0.03 0.00 0.00 46.19 44.33 1gh8 s LEU 88 CO 0.27 -1.26 1.56 0.80 0.23 0.00 0.00 176.35 177.95