#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 3.90 -5.12 0.00 0.85 -4.63 105.19 100.19 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 0.00 6.39 -0.21 1.61 1.01 0.00 -4.74 116.67 120.74 1gh8 s ASP 3 Ca 0.00 0.81 -0.10 0.00 0.71 0.00 0.00 52.55 53.97 1gh8 s ASP 3 Cb 0.00 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.70 1gh8 s ASP 3 CO 0.00 -0.34 0.12 -0.69 0.21 0.00 0.00 175.17 174.47 1gh8 s VAL 4 N -2.34 5.25 -0.16 -1.27 1.01 -0.44 -1.80 120.40 120.66 1gh8 s VAL 4 Ca 0.46 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1gh8 s VAL 4 Cb -0.10 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1gh8 s VAL 4 CO 0.35 0.42 -0.12 -0.69 0.00 0.00 0.00 175.10 175.06 1gh8 s VAL 5 N 0.54 1.47 0.52 2.92 1.01 -0.11 -0.87 120.40 125.89 1gh8 s VAL 5 Ca 0.07 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1gh8 s VAL 5 Cb -0.12 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1gh8 s VAL 5 CO -0.00 0.35 0.73 0.00 0.00 0.00 0.00 175.10 176.18 1gh8 s ALA 6 N 1.51 4.03 -0.06 5.51 0.00 -0.96 0.93 121.76 132.72 1gh8 s ALA 6 Ca 0.03 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 1gh8 s ALA 6 Cb -0.14 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.03 1gh8 s ALA 6 CO -0.10 -0.63 0.13 0.99 0.00 0.00 0.00 175.76 176.15 1gh8 s THR 7 N -2.66 -0.04 -0.27 0.00 2.01 -0.47 -1.12 115.64 113.09 1gh8 s THR 7 Ca 0.56 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.74 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 0.37 0.06 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.69 1gh8 s ILE 8 N 0.96 1.86 -0.70 1.82 -1.09 -0.46 -3.07 121.20 120.52 1gh8 s ILE 8 Ca -0.07 -1.59 -0.16 0.00 -2.23 0.00 0.00 60.65 56.59 1gh8 s ILE 8 Cb -0.10 -2.13 0.15 0.00 -1.58 0.00 0.00 42.46 38.81 1gh8 s ILE 8 CO -0.05 -0.20 0.73 -0.54 -1.23 0.00 0.00 174.94 173.65 1gh8 s LYS 9 N 1.21 3.30 -0.06 2.79 -0.14 -1.21 0.04 119.74 125.66 1gh8 s LYS 9 Ca -0.03 -1.88 -0.14 0.00 -1.36 0.00 0.00 55.97 52.57 1gh8 s LYS 9 Cb -0.19 -4.41 -0.05 0.00 -1.68 0.00 0.00 37.83 31.49 1gh8 s LYS 9 CO -0.07 -1.43 0.36 0.14 -0.76 0.00 0.00 175.35 173.58 1gh8 s VAL 10 N 1.52 5.17 -0.14 3.17 -7.23 -0.69 0.33 120.40 122.53 1gh8 s VAL 10 Ca 0.14 0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 60.97 1gh8 s VAL 10 Cb -0.18 -3.67 0.07 0.00 0.56 0.00 0.00 36.38 33.16 1gh8 s VAL 10 CO -0.02 0.51 0.28 -0.32 -0.31 0.00 0.00 175.10 175.25 1gh8 s MET 11 N -0.54 0.18 -0.15 4.82 0.00 -1.10 -0.71 119.30 121.79 1gh8 s MET 11 Ca 0.21 0.76 -0.29 0.00 0.00 0.00 0.00 55.69 56.37 1gh8 s MET 11 Cb -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 34.83 34.65 1gh8 s MET 11 CO 0.10 -0.27 1.45 -2.14 0.00 0.00 0.00 175.02 174.16 1gh8 s PRO 12 N 2.32 4.11 0.55 4.11 0.02 -1.26 -2.21 135.00 142.64 1gh8 s PRO 12 Ca -0.00 1.78 0.25 0.00 0.02 0.00 0.00 61.00 63.05 1gh8 s PRO 12 Cb -0.12 -3.89 1.46 0.00 0.02 0.00 0.00 34.50 31.98 1gh8 s PRO 12 CO -0.09 -0.89 2.05 0.93 -0.33 0.00 0.00 177.00 178.67 1gh8 h GLU 13 N 9.15 0.00 -7.04 5.54 4.39 -1.26 -3.42 114.58 121.94 1gh8 h GLU 13 Ca -0.32 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.93 1gh8 h GLU 13 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1gh8 h GLU 13 CO 0.98 0.00 0.37 -1.12 -1.16 0.00 0.00 179.01 178.07 1gh8 s SER 14 N -6.18 6.70 0.00 1.42 0.01 -1.26 -4.92 113.70 109.46 1gh8 s SER 14 Ca -0.05 1.84 0.09 0.00 1.31 0.00 0.00 55.95 59.14 1gh8 s SER 14 Cb 0.18 -2.56 0.42 0.00 0.21 0.00 0.00 66.02 64.27 1gh8 s SER 14 CO 0.65 -0.53 1.22 -0.81 0.41 0.00 0.00 173.24 174.18 1gh8 n PRO 15 N -0.64 0.07 -0.95 12.44 -0.04 -1.26 -2.64 135.00 141.99 1gh8 n PRO 15 Ca 0.07 0.27 -0.20 0.00 -0.04 0.00 0.00 63.50 63.60 1gh8 n PRO 15 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.38 5.56 -4.56 3.54 8.00 -1.26 -4.89 116.55 121.55 1gh8 n ASP 16 Ca 0.03 -3.21 -0.23 0.00 0.71 0.00 0.00 54.79 52.09 1gh8 n ASP 16 Cb 0.09 -0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 40.22 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gh8 s VAL 17 N -2.77 3.35 -0.40 2.53 0.11 -1.08 -4.89 120.40 117.25 1gh8 s VAL 17 Ca 0.41 -0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 58.81 1gh8 s VAL 17 Cb 0.33 -3.90 -0.02 0.00 -1.53 0.00 0.00 36.38 31.26 1gh8 s VAL 17 CO 0.02 -0.70 1.82 -1.81 -3.33 0.00 0.00 175.10 171.11 1gh8 s ASP 18 N 8.40 5.71 0.07 3.54 1.01 -1.26 -4.86 116.67 129.27 1gh8 s ASP 18 Ca 0.75 1.06 -0.30 0.00 0.71 0.00 0.00 52.55 54.77 1gh8 s ASP 18 Cb -0.07 -2.53 -0.18 0.00 1.01 0.00 0.00 42.92 41.16 1gh8 s ASP 18 CO 0.05 -1.90 1.63 0.25 0.21 0.00 0.00 175.17 175.41 1gh8 h LEU 19 N 14.49 -0.55 -0.61 1.23 7.12 -1.92 0.36 115.31 135.43 1gh8 h LEU 19 Ca -0.31 0.01 -0.15 0.00 0.13 0.00 0.00 57.88 57.55 1gh8 h LEU 19 Cb 1.17 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.43 1gh8 h LEU 19 CO 1.08 -0.37 -0.56 1.05 -0.13 0.00 0.00 178.44 179.51 1gh8 h GLU 20 N -0.67 0.40 -0.29 1.25 9.09 -1.99 0.41 114.58 122.78 1gh8 h GLU 20 Ca -0.07 -0.25 -0.11 0.00 0.05 0.00 0.00 59.36 58.98 1gh8 h GLU 20 Cb 0.51 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.62 1gh8 h GLU 20 CO 0.11 0.85 -0.28 0.00 0.05 0.00 0.00 179.01 179.74 1gh8 h ALA 21 N 1.10 0.98 -0.34 1.06 0.00 -1.95 -1.90 119.26 118.21 1gh8 h ALA 21 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1gh8 h ALA 21 Cb 1.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1gh8 h ALA 21 CO 0.10 0.60 -0.11 1.25 0.00 0.00 0.00 179.25 181.08 1gh8 h LEU 22 N 0.51 0.56 -0.46 0.00 5.85 0.12 -1.78 115.31 120.11 1gh8 h LEU 22 Ca 0.07 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1gh8 h LEU 22 Cb 0.74 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1gh8 h LEU 22 CO 0.06 0.71 0.17 0.11 -0.34 0.00 0.00 178.44 179.15 1gh8 h LYS 23 N 0.53 0.34 -0.37 1.25 6.56 -0.15 0.58 116.57 125.31 1gh8 h LYS 23 Ca 0.10 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.60 1gh8 h LYS 23 Cb 0.51 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1gh8 h LYS 23 CO 0.03 0.22 -0.01 0.87 -2.06 0.00 0.00 179.45 178.50 1gh8 h LYS 24 N 0.35 0.67 0.00 3.15 1.57 -1.07 -2.83 116.57 118.40 1gh8 h LYS 24 Ca 0.22 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1gh8 h LYS 24 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1gh8 h LYS 24 CO -0.21 0.78 -0.27 0.93 -0.57 0.00 0.00 179.45 180.11 1gh8 h GLU 25 N 0.49 0.00 -0.56 3.15 5.08 -0.71 -2.92 114.58 119.11 1gh8 h GLU 25 Ca 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1gh8 h GLU 25 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1gh8 h GLU 25 CO 0.02 0.27 0.23 0.82 -1.00 0.00 0.00 179.01 179.35 1gh8 h ILE 26 N 0.00 1.22 -0.64 3.13 2.04 0.40 -1.56 117.51 122.10 1gh8 h ILE 26 Ca -0.00 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1gh8 h ILE 26 Cb 0.58 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1gh8 h ILE 26 CO 0.03 0.26 0.27 1.56 0.00 0.00 0.00 178.15 180.27 1gh8 h GLN 27 N 0.76 0.93 0.00 2.37 4.20 -1.43 -0.76 115.11 121.18 1gh8 h GLN 27 Ca 0.19 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1gh8 h GLN 27 Cb 0.18 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1gh8 h GLN 27 CO -0.02 0.75 -0.23 1.05 -0.67 0.00 0.00 178.83 179.72 1gh8 h GLU 28 N 0.92 0.00 0.00 1.46 -0.00 -1.51 -3.11 114.58 112.34 1gh8 h GLU 28 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.58 1gh8 h GLU 28 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.91 1gh8 h GLU 28 CO -0.02 0.23 -0.63 2.89 -0.00 0.00 0.00 179.01 181.47 1gh8 n ARG 29 N -3.21 0.12 -1.85 1.06 1.85 -0.61 -4.92 116.66 109.10 1gh8 n ARG 29 Ca 0.02 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.48 1gh8 n ARG 29 Cb 0.56 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 30.40 1gh8 n ARG 29 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1gh8 s ILE 30 N -3.07 2.17 -0.33 8.89 -1.09 -0.34 -4.79 121.20 122.64 1gh8 s ILE 30 Ca 0.09 0.16 -0.39 0.00 -2.23 0.00 0.00 60.65 58.28 1gh8 s ILE 30 Cb 0.16 -3.10 -0.15 0.00 -1.58 0.00 0.00 42.46 37.79 1gh8 s ILE 30 CO 0.73 0.04 1.93 -0.81 -1.23 0.00 0.00 174.94 175.59 1gh8 n PRO 31 N 0.76 0.99 0.00 2.79 -0.04 -1.26 -4.77 135.00 133.47 1gh8 n PRO 31 Ca 0.02 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1gh8 n PRO 31 Cb 0.39 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 6.48 0.00 0.05 0.54 1.02 -1.26 -2.36 120.64 125.10 1gh8 n GLU 32 Ca 0.34 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.27 1gh8 n GLU 32 Cb 0.14 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 29.95 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 0.37 0.00 0.62 0.00 -1.83 -3.48 103.07 98.75 1gh8 h GLY 33 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1gh8 h GLY 33 CO 0.00 0.82 0.00 2.41 0.00 0.00 0.00 176.54 179.77 1gh8 n THR 34 N -3.94 0.00 -4.29 4.70 -1.04 -0.99 -4.74 114.28 103.98 1gh8 n THR 34 Ca -0.20 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.66 1gh8 n THR 34 Cb 0.92 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.33 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 4.90 1.36 0.64 -2.82 -1.05 -1.26 -4.88 118.70 115.60 1gh8 s GLU 35 Ca 0.00 -1.73 -0.11 0.00 -0.15 0.00 0.00 54.97 52.98 1gh8 s GLU 35 Cb 0.00 -0.15 0.15 0.00 -0.44 0.00 0.00 34.13 33.70 1gh8 s GLU 35 CO 0.00 -0.31 0.75 1.47 0.95 0.00 0.00 175.26 178.12 1gh8 n LEU 36 N -0.42 0.00 0.00 1.83 -0.00 -1.26 -2.71 117.00 114.44 1gh8 n LEU 36 Ca 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 56.01 55.20 1gh8 n LEU 36 Cb 0.66 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1gh8 n LEU 36 CO 0.36 -1.30 0.00 1.57 -0.00 0.00 0.00 177.39 178.03 1gh8 n HIS 37 N -3.40 0.00 -3.64 1.47 -0.00 0.21 -3.23 115.22 106.64 1gh8 n HIS 37 Ca 0.10 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.23 1gh8 n HIS 37 Cb 0.35 0.14 -0.07 0.00 -0.12 0.00 0.00 29.99 30.30 1gh8 n HIS 37 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1gh8 s LYS 38 N -0.53 0.56 0.30 1.57 2.47 -1.24 -4.97 119.74 117.91 1gh8 s LYS 38 Ca 0.00 1.00 -0.03 0.00 -1.56 0.00 0.00 55.97 55.38 1gh8 s LYS 38 Cb 0.00 0.16 -0.05 0.00 -1.46 0.00 0.00 37.83 36.48 1gh8 s LYS 38 CO 0.00 -0.12 0.54 0.42 0.16 0.00 0.00 175.35 176.35 1gh8 s ILE 39 N 1.60 5.06 -0.17 5.43 1.01 -1.25 -2.23 121.20 130.65 1gh8 s ILE 39 Ca -0.09 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1gh8 s ILE 39 Cb -0.05 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1gh8 s ILE 39 CO -0.18 -0.37 -0.17 -1.81 0.00 0.00 0.00 174.94 172.41 1gh8 s ASP 40 N -3.36 3.42 -1.32 3.58 1.11 -0.31 -4.85 116.67 114.94 1gh8 s ASP 40 Ca 0.43 -0.55 -0.09 0.00 0.18 0.00 0.00 52.55 52.51 1gh8 s ASP 40 Cb -0.10 -1.53 0.14 0.00 1.07 0.00 0.00 42.92 42.50 1gh8 s ASP 40 CO 0.31 0.05 2.05 -1.84 1.18 0.00 0.00 175.17 176.92 1gh8 n GLU 41 N 4.32 3.75 -3.91 8.23 0.28 -1.26 -0.99 120.64 131.05 1gh8 n GLU 41 Ca -0.20 -3.37 -0.32 0.00 -0.16 0.00 0.00 57.16 53.11 1gh8 n GLU 41 Cb 0.51 -2.89 -0.04 0.00 1.43 0.00 0.00 31.44 30.44 1gh8 n GLU 41 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1gh8 s GLU 42 N 0.40 3.44 0.39 3.44 8.01 -0.62 -4.92 118.70 128.84 1gh8 s GLU 42 Ca 0.44 -0.39 -0.01 0.00 0.01 0.00 0.00 54.97 55.02 1gh8 s GLU 42 Cb 0.12 -3.06 -0.03 0.00 -4.31 0.00 0.00 34.13 26.85 1gh8 s GLU 42 CO -0.03 0.63 0.62 -1.25 0.01 0.00 0.00 175.26 175.25 1gh8 s PRO 43 N -2.29 3.45 0.00 0.39 0.04 -1.26 0.16 135.00 135.48 1gh8 s PRO 43 Ca 0.32 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1gh8 s PRO 43 Cb -0.13 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1gh8 s PRO 43 CO 0.24 0.01 0.00 -0.89 0.04 0.00 0.00 177.00 176.41 1gh8 n ILE 44 N -1.94 0.00 0.00 0.56 2.08 0.10 -4.70 119.36 115.46 1gh8 n ILE 44 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1gh8 n ILE 44 Cb 0.56 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.25 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 -1.57 0.00 0.16 -1.39 0.00 -1.13 -4.88 120.51 111.69 1gh8 n ALA 45 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1gh8 n ALA 45 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.12 0.00 0.00 0.00 -1.00 -2.03 -3.38 116.94 110.41 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 0.52 0.00 0.41 -1.61 0.00 0.00 178.31 177.63 1gh8 n GLY 47 N 0.24 0.21 3.47 -1.45 0.00 -1.26 -5.06 105.19 101.33 1gh8 n GLY 47 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 4.71 -0.09 0.99 1.43 -1.26 -4.97 118.68 119.48 1gh8 s LEU 48 Ca 0.00 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 1gh8 s LEU 48 Cb 0.00 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 1gh8 s LEU 48 CO 0.00 -0.96 0.44 -0.69 0.23 0.00 0.00 176.35 175.38 1gh8 s VAL 49 N 2.96 5.16 0.37 -1.59 1.01 -1.26 -0.72 120.40 126.33 1gh8 s VAL 49 Ca 0.20 0.89 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1gh8 s VAL 49 Cb -0.17 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1gh8 s VAL 49 CO 0.14 0.39 0.55 0.00 0.00 0.00 0.00 175.10 176.19 1gh8 s ALA 50 N 0.23 3.90 -0.21 5.51 0.00 0.43 -4.75 121.76 126.87 1gh8 s ALA 50 Ca 0.24 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1gh8 s ALA 50 Cb -0.15 -1.95 0.04 0.00 0.00 0.00 0.00 23.12 21.05 1gh8 s ALA 50 CO 0.10 -0.14 -0.16 -0.51 0.00 0.00 0.00 175.76 175.06 1gh8 s LEU 51 N -4.33 2.57 -0.90 0.00 1.02 0.11 -1.59 118.68 115.55 1gh8 s LEU 51 Ca 0.44 -0.92 -0.19 0.00 0.02 0.00 0.00 54.13 53.48 1gh8 s LEU 51 Cb -0.10 -1.47 0.13 0.00 0.02 0.00 0.00 46.19 44.77 1gh8 s LEU 51 CO 0.35 -0.08 1.10 0.20 0.02 0.00 0.00 176.35 177.94 1gh8 s ASN 52 N 1.24 6.58 -0.55 2.29 0.02 -0.16 -1.70 114.94 122.66 1gh8 s ASN 52 Ca -0.00 -1.96 -0.24 0.00 -1.02 0.00 0.00 52.86 49.64 1gh8 s ASN 52 Cb -0.16 -2.40 0.04 0.00 0.02 0.00 0.00 41.25 38.76 1gh8 s ASN 52 CO -0.10 -1.09 0.91 -0.69 0.02 0.00 0.00 177.10 176.15 1gh8 s VAL 53 N 2.76 4.44 0.63 1.60 1.01 0.11 -1.17 120.40 129.78 1gh8 s VAL 53 Ca 0.31 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1gh8 s VAL 53 Cb -0.06 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 31.82 1gh8 s VAL 53 CO -0.08 -1.09 0.96 -0.04 0.00 0.00 0.00 175.10 174.86 1gh8 s MET 54 N 3.81 2.82 -0.01 2.72 -1.94 -0.95 -1.35 119.30 124.41 1gh8 s MET 54 Ca 0.29 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.35 1gh8 s MET 54 Cb -0.13 -2.20 0.01 0.00 2.01 0.00 0.00 34.83 34.51 1gh8 s MET 54 CO 0.18 -0.84 -0.01 0.14 -0.01 0.00 0.00 175.02 174.49 1gh8 s VAL 55 N -3.11 0.12 -0.45 -6.03 -7.23 -0.27 0.68 120.40 104.10 1gh8 s VAL 55 Ca 0.56 -0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 60.53 1gh8 s VAL 55 Cb -0.11 -0.14 0.04 0.00 0.56 0.00 0.00 36.38 36.73 1gh8 s VAL 55 CO 0.47 0.06 0.55 -0.69 -0.31 0.00 0.00 175.10 175.18 1gh8 s VAL 56 N 0.31 4.96 -0.03 1.32 1.01 -1.10 -2.26 120.40 124.60 1gh8 s VAL 56 Ca -0.03 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1gh8 s VAL 56 Cb -0.05 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1gh8 s VAL 56 CO -0.01 -0.60 -0.19 0.68 0.00 0.00 0.00 175.10 174.99 1gh8 s VAL 57 N 2.46 1.50 0.20 2.92 -7.23 -0.04 -4.29 120.40 115.91 1gh8 s VAL 57 Ca 0.16 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1gh8 s VAL 57 Cb -0.17 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1gh8 s VAL 57 CO 0.14 0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 1gh8 n GLY 58 N 2.83 -1.45 0.14 2.32 0.00 -1.26 -1.32 105.19 106.45 1gh8 n GLY 58 Ca -0.16 0.44 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1gh8 n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gh8 h ASP 59 N 0.00 0.00 0.00 1.61 3.58 -2.00 -3.45 116.42 116.17 1gh8 h ASP 59 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1gh8 h ASP 59 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1gh8 h ASP 59 CO 0.00 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.37 1gh8 n ALA 60 N -1.90 0.00 -3.00 -0.78 0.00 -1.26 -5.11 120.51 108.46 1gh8 n ALA 60 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1gh8 n ALA 60 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -5.00 120.64 114.63 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 0.02 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 0.06 0.00 -1.84 0.00 -1.26 -3.85 105.19 98.30 1gh8 n GLY 62 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.36 -0.58 0.00 -0.02 0.00 -1.26 -2.45 105.19 101.23 1gh8 n GLY 63 Ca 0.01 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.06 0.22 0.21 2.61 -2.24 -1.25 -2.91 114.28 109.85 1gh8 n THR 64 Ca 0.11 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.13 1gh8 n THR 64 Cb 0.07 -0.69 0.83 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.16 -0.78 4.11 -1.83 -0.12 114.58 115.79 1gh8 h GLU 65 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 1gh8 h GLU 65 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 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 1.59 1.78 0.62 1.06 0.00 -1.84 -2.10 119.26 120.38 1gh8 h ALA 66 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gh8 h ALA 66 Cb 0.68 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1gh8 h ALA 66 CO -0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 179.25 178.68 1gh8 h ALA 67 N 1.79 -0.84 -0.47 0.00 0.00 -1.30 0.15 119.26 118.59 1gh8 h ALA 67 Ca 0.08 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1gh8 h ALA 67 Cb 0.44 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1gh8 h ALA 67 CO -0.00 -0.93 0.31 0.93 0.00 0.00 0.00 179.25 179.56 1gh8 h GLU 68 N -0.91 0.50 0.09 0.00 5.08 -1.59 -1.23 114.58 116.53 1gh8 h GLU 68 Ca -0.09 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1gh8 h GLU 68 Cb 0.67 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1gh8 h GLU 68 CO 0.14 0.33 -0.05 0.93 -1.00 0.00 0.00 179.01 179.37 1gh8 h GLU 69 N 0.52 -0.12 0.00 2.33 4.39 -0.92 -1.74 114.58 119.03 1gh8 h GLU 69 Ca 0.19 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1gh8 h GLU 69 Cb 0.10 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1gh8 h GLU 69 CO -0.05 0.01 0.00 1.03 -1.16 0.00 0.00 179.01 178.84 1gh8 h SER 70 N -0.22 0.00 0.70 1.42 0.87 -0.01 -0.93 113.55 115.38 1gh8 h SER 70 Ca -0.01 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 1gh8 h SER 70 Cb 0.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1gh8 h SER 70 CO 0.02 0.00 -0.66 -0.07 -0.53 0.00 0.00 176.83 175.59 1gh8 h LEU 71 N 0.00 0.00 -0.17 2.23 -0.00 -0.34 0.54 115.31 117.57 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 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1gh8 h LEU 71 CO 0.00 0.66 0.00 -0.24 -0.00 0.00 0.00 178.44 178.86 1gh8 n SER 72 N -3.71 0.10 -0.87 -0.43 2.88 -0.35 -2.75 113.62 108.48 1gh8 n SER 72 Ca -0.01 0.53 -0.01 0.00 -1.33 0.00 0.00 58.87 58.05 1gh8 n SER 72 Cb 0.66 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.74 0.75 0.00 0.46 0.00 -1.04 -5.13 105.19 99.49 1gh8 n GLY 73 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.11 0.00 -1.53 -0.61 0.13 0.19 -4.78 119.36 112.86 1gh8 n ILE 74 Ca -0.07 0.00 -0.24 0.00 -1.10 0.00 0.00 62.75 61.34 1gh8 n ILE 74 Cb 0.75 -1.33 -0.12 0.00 -0.84 0.00 0.00 39.64 38.09 1gh8 n ILE 74 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1gh8 n GLU 75 N -1.13 0.40 0.26 9.51 4.71 -1.26 -4.74 120.64 128.40 1gh8 n GLU 75 Ca 0.00 -0.31 0.14 0.00 -0.01 0.00 0.00 57.16 56.98 1gh8 n GLU 75 Cb 0.00 -2.53 0.84 0.00 -1.01 0.00 0.00 31.44 28.74 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 17.07 0.00 0.67 0.62 0.00 -1.96 -2.05 103.07 117.41 1gh8 h GLY 76 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.95 1gh8 h GLY 76 CO 1.27 0.00 -1.79 -0.24 0.00 0.00 0.00 176.54 175.79 1gh8 h VAL 77 N 0.00 0.80 -3.22 4.60 3.04 -1.94 -3.41 116.25 116.12 1gh8 h VAL 77 Ca 0.02 -2.40 -0.76 0.00 -1.01 0.00 0.00 66.70 62.56 1gh8 h VAL 77 Cb 0.13 2.61 -0.23 0.00 -2.01 0.00 0.00 31.29 31.78 1gh8 h VAL 77 CO -0.00 0.83 0.47 -0.44 -1.01 0.00 0.00 177.57 177.42 1gh8 s SER 78 N -7.12 6.82 0.16 3.17 0.01 -0.77 -0.64 113.70 115.32 1gh8 s SER 78 Ca -0.20 -2.63 -0.30 0.00 1.31 0.00 0.00 55.95 54.12 1gh8 s SER 78 Cb 0.06 -2.28 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 1gh8 s SER 78 CO 0.79 -0.70 1.03 0.21 0.41 0.00 0.00 173.24 174.97 1gh8 s ASN 79 N 2.56 7.40 0.02 2.44 3.04 -0.94 -4.36 114.94 125.11 1gh8 s ASN 79 Ca 0.26 1.95 -0.01 0.00 0.04 0.00 0.00 52.86 55.11 1gh8 s ASN 79 Cb -0.08 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 1gh8 s ASN 79 CO -0.08 -0.12 0.16 -0.63 -3.04 0.00 0.00 177.10 173.39 1gh8 s ILE 80 N -0.23 5.18 -1.33 -5.21 1.01 -1.26 -2.69 121.20 116.66 1gh8 s ILE 80 Ca 0.48 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.66 1gh8 s ILE 80 Cb -0.27 -3.45 0.12 0.00 0.01 0.00 0.00 42.46 38.87 1gh8 s ILE 80 CO 0.32 0.25 1.96 1.21 0.00 0.00 0.00 174.94 178.68 1gh8 n GLU 81 N 0.72 3.35 -1.10 2.79 4.07 0.15 -4.82 120.64 125.79 1gh8 n GLU 81 Ca -0.09 -3.24 -0.19 0.00 -0.06 0.00 0.00 57.16 53.58 1gh8 n GLU 81 Cb 0.52 -3.07 -0.13 0.00 -0.06 0.00 0.00 31.44 28.70 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 4.09 3.32 -0.64 6.31 0.31 -1.26 -3.36 118.33 127.09 1gh8 n VAL 82 Ca 0.44 -1.83 0.00 0.00 -0.01 0.00 0.00 64.34 62.93 1gh8 n VAL 82 Cb 0.38 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 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 2.63 0.16 -3.04 2.52 -1.04 -1.26 -5.06 114.28 109.19 1gh8 n THR 83 Ca 0.51 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.05 61.87 1gh8 n THR 83 Cb 0.75 1.26 -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 -1.81 -0.64 0.00 0.00 175.07 172.62 1gh8 s ASP 84 N -0.16 7.30 0.07 8.00 1.11 -1.17 -5.02 116.67 126.79 1gh8 s ASP 84 Ca 0.00 1.56 -0.11 0.00 0.18 0.00 0.00 52.55 54.19 1gh8 s ASP 84 Cb 0.00 -2.47 0.01 0.00 1.07 0.00 0.00 42.92 41.53 1gh8 s ASP 84 CO 0.00 0.19 0.23 0.54 1.18 0.00 0.00 175.17 177.32 1gh8 s VAL 85 N -1.20 0.12 -0.37 -1.27 0.11 -1.26 -1.36 120.40 115.16 1gh8 s VAL 85 Ca 0.36 -0.95 0.03 0.00 -2.93 0.00 0.00 61.98 58.49 1gh8 s VAL 85 Cb -0.22 -1.13 0.16 0.00 -1.53 0.00 0.00 36.38 33.66 1gh8 s VAL 85 CO 0.24 -0.52 0.40 -0.13 -3.33 0.00 0.00 175.10 171.76 1gh8 s ARG 86 N -3.27 0.65 -1.02 1.54 0.52 0.26 -4.88 118.95 112.75 1gh8 s ARG 86 Ca 0.00 -0.78 -0.23 0.00 -0.52 0.00 0.00 55.73 54.21 1gh8 s ARG 86 Cb 0.02 -0.64 0.05 0.00 0.52 0.00 0.00 34.95 34.90 1gh8 s ARG 86 CO -0.08 -1.19 1.45 1.03 0.02 0.00 0.00 175.30 176.53 1gh8 s ARG 87 N 1.50 3.60 -1.02 3.54 1.81 -1.26 -0.93 118.95 126.18 1gh8 s ARG 87 Ca 0.17 -1.15 -0.22 0.00 -1.72 0.00 0.00 55.73 52.80 1gh8 s ARG 87 Cb -0.14 -5.35 0.06 0.00 -0.45 0.00 0.00 34.95 29.07 1gh8 s ARG 87 CO -0.05 -2.20 1.41 -0.51 -0.68 0.00 0.00 175.30 173.28 1gh8 s LEU 88 N 4.91 3.74 0.00 2.53 1.43 -0.74 -5.00 118.68 125.54 1gh8 s LEU 88 Ca 0.46 -1.57 0.26 0.00 -1.03 0.00 0.00 54.13 52.25 1gh8 s LEU 88 Cb -0.00 -2.55 0.71 0.00 0.03 0.00 0.00 46.19 44.39 1gh8 s LEU 88 CO -0.10 -1.43 1.55 1.15 0.23 0.00 0.00 176.35 177.75