#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 3.69 -5.12 0.00 0.32 -4.65 105.19 99.43 1gh8 n GLY 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 6.52 -0.51 1.61 1.01 -0.50 -4.84 116.67 119.97 1gh8 s ASP 3 Ca 0.00 0.62 -0.17 0.00 0.71 0.00 0.00 52.55 53.71 1gh8 s ASP 3 Cb 0.00 -2.25 0.08 0.00 1.01 0.00 0.00 42.92 41.76 1gh8 s ASP 3 CO 0.00 -0.04 0.52 -0.69 0.21 0.00 0.00 175.17 175.17 1gh8 s VAL 4 N 1.02 5.06 -0.31 -1.27 1.01 -0.24 -2.12 120.40 123.55 1gh8 s VAL 4 Ca 0.21 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1gh8 s VAL 4 Cb -0.15 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1gh8 s VAL 4 CO 0.08 -0.76 0.14 -0.69 0.00 0.00 0.00 175.10 173.88 1gh8 s VAL 5 N 2.10 4.44 0.40 2.92 1.01 -0.33 -1.71 120.40 129.23 1gh8 s VAL 5 Ca 0.08 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1gh8 s VAL 5 Cb -0.23 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1gh8 s VAL 5 CO 0.08 0.03 0.58 0.00 0.00 0.00 0.00 175.10 175.79 1gh8 s ALA 6 N 1.58 4.06 -0.06 5.51 0.00 -0.93 0.58 121.76 132.50 1gh8 s ALA 6 Ca 0.04 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 1gh8 s ALA 6 Cb -0.17 -1.87 0.04 0.00 0.00 0.00 0.00 23.12 21.11 1gh8 s ALA 6 CO 0.05 -0.24 0.14 0.99 0.00 0.00 0.00 175.76 176.71 1gh8 s THR 7 N -2.37 -0.07 -0.28 0.00 2.01 0.06 -1.06 115.64 113.92 1gh8 s THR 7 Ca 0.48 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1gh8 s THR 7 Cb -0.10 -0.24 0.07 0.00 0.01 0.00 0.00 72.50 72.24 1gh8 s THR 7 CO 0.34 0.08 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.66 1gh8 s ILE 8 N 1.30 2.13 -0.70 1.82 -1.09 -0.68 -3.12 121.20 120.87 1gh8 s ILE 8 Ca -0.08 -1.76 -0.16 0.00 -2.23 0.00 0.00 60.65 56.42 1gh8 s ILE 8 Cb -0.12 -2.33 0.15 0.00 -1.58 0.00 0.00 42.46 38.59 1gh8 s ILE 8 CO -0.06 -0.17 0.71 -0.54 -1.23 0.00 0.00 174.94 173.66 1gh8 s LYS 9 N 1.08 3.28 -0.05 2.79 -0.14 -1.22 -0.23 119.74 125.25 1gh8 s LYS 9 Ca -0.04 -1.88 -0.16 0.00 -1.36 0.00 0.00 55.97 52.53 1gh8 s LYS 9 Cb -0.20 -4.40 -0.05 0.00 -1.68 0.00 0.00 37.83 31.50 1gh8 s LYS 9 CO -0.06 -1.42 0.41 0.14 -0.76 0.00 0.00 175.35 173.67 1gh8 s VAL 10 N 1.48 5.11 -0.14 3.17 -7.23 -0.79 0.37 120.40 122.37 1gh8 s VAL 10 Ca 0.13 0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 61.09 1gh8 s VAL 10 Cb -0.19 -3.73 0.07 0.00 0.56 0.00 0.00 36.38 33.09 1gh8 s VAL 10 CO -0.02 0.48 0.28 0.00 -0.31 0.00 0.00 175.10 175.54 1gh8 s MET 11 N -0.39 0.18 -0.12 4.82 0.23 -1.07 -1.06 119.30 121.89 1gh8 s MET 11 Ca 0.23 0.76 -0.29 0.00 -1.03 0.00 0.00 55.69 55.36 1gh8 s MET 11 Cb -0.16 -0.05 -0.04 0.00 -1.53 0.00 0.00 34.83 33.06 1gh8 s MET 11 CO 0.11 -0.31 1.53 -2.14 -2.03 0.00 0.00 175.02 172.18 1gh8 s PRO 12 N 2.44 4.13 0.54 3.16 0.02 -1.26 -2.20 135.00 141.84 1gh8 s PRO 12 Ca 0.01 1.94 0.23 0.00 0.02 0.00 0.00 61.00 63.20 1gh8 s PRO 12 Cb -0.12 -3.93 1.41 0.00 0.02 0.00 0.00 34.50 31.88 1gh8 s PRO 12 CO -0.09 -0.88 2.07 0.93 -0.33 0.00 0.00 177.00 178.70 1gh8 h GLU 13 N 9.32 0.00 -7.03 5.54 4.39 -1.19 -3.43 114.58 122.18 1gh8 h GLU 13 Ca -0.34 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 58.90 1gh8 h GLU 13 Cb 1.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1gh8 h GLU 13 CO 0.97 0.00 0.36 -1.12 -1.16 0.00 0.00 179.01 178.05 1gh8 s SER 14 N -6.42 6.83 0.00 1.42 0.01 -1.26 -4.92 113.70 109.36 1gh8 s SER 14 Ca -0.05 1.79 0.07 0.00 1.31 0.00 0.00 55.95 59.07 1gh8 s SER 14 Cb 0.18 -2.55 0.33 0.00 0.21 0.00 0.00 66.02 64.19 1gh8 s SER 14 CO 0.67 -0.43 1.14 -0.81 0.41 0.00 0.00 173.24 174.22 1gh8 n PRO 15 N -0.52 0.06 -0.84 12.44 -0.04 -1.26 -2.50 135.00 142.33 1gh8 n PRO 15 Ca 0.07 0.28 -0.17 0.00 -0.04 0.00 0.00 63.50 63.64 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 -1.37 5.01 -4.57 3.54 9.92 -1.26 -4.87 116.55 122.95 1gh8 n ASP 16 Ca 0.03 -3.07 -0.24 0.00 -0.53 0.00 0.00 54.79 50.98 1gh8 n ASP 16 Cb 0.07 -0.86 -0.06 0.00 -0.64 0.00 0.00 41.12 39.62 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 -2.35 3.36 -0.47 2.53 0.11 -1.04 -4.88 120.40 117.67 1gh8 s VAL 17 Ca 0.35 -0.40 -0.27 0.00 -2.93 0.00 0.00 61.98 58.73 1gh8 s VAL 17 Cb 0.29 -3.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.16 1gh8 s VAL 17 CO 0.03 -0.73 1.89 -1.81 -3.33 0.00 0.00 175.10 171.15 1gh8 s ASP 18 N 8.25 5.47 0.07 3.54 1.01 -1.26 -4.87 116.67 128.88 1gh8 s ASP 18 Ca 0.75 0.87 -0.28 0.00 0.71 0.00 0.00 52.55 54.60 1gh8 s ASP 18 Cb -0.06 -2.52 -0.17 0.00 1.01 0.00 0.00 42.92 41.17 1gh8 s ASP 18 CO 0.05 -2.12 1.63 0.25 0.21 0.00 0.00 175.17 175.19 1gh8 h LEU 19 N 15.49 -0.38 -0.61 1.23 7.12 -1.92 0.35 115.31 136.59 1gh8 h LEU 19 Ca -0.29 -0.02 -0.14 0.00 0.13 0.00 0.00 57.88 57.56 1gh8 h LEU 19 Cb 1.18 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.40 1gh8 h LEU 19 CO 1.12 -0.24 -0.42 -0.08 -0.13 0.00 0.00 178.44 178.70 1gh8 h GLU 20 N -0.50 0.62 -0.24 1.25 4.81 -2.00 -0.85 114.58 117.68 1gh8 h GLU 20 Ca -0.05 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.74 1gh8 h GLU 20 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1gh8 h GLU 20 CO 0.08 0.92 -0.34 0.00 -0.73 0.00 0.00 179.01 178.94 1gh8 h ALA 21 N 1.03 0.96 -0.23 2.92 0.00 -1.95 -2.28 119.26 119.73 1gh8 h ALA 21 Ca 0.04 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1gh8 h ALA 21 Cb 0.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1gh8 h ALA 21 CO 0.08 0.61 -0.15 1.25 0.00 0.00 0.00 179.25 181.05 1gh8 h LEU 22 N 0.44 0.36 -0.46 0.00 5.85 0.11 -2.36 115.31 119.25 1gh8 h LEU 22 Ca 0.05 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1gh8 h LEU 22 Cb 0.81 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1gh8 h LEU 22 CO 0.07 0.54 0.18 0.11 -0.34 0.00 0.00 178.44 178.99 1gh8 h LYS 23 N 0.35 0.35 -0.45 1.25 6.56 -0.57 0.54 116.57 124.61 1gh8 h LYS 23 Ca 0.07 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.57 1gh8 h LYS 23 Cb 0.47 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.04 1gh8 h LYS 23 CO 0.03 0.23 0.01 0.87 -2.06 0.00 0.00 179.45 178.52 1gh8 h LYS 24 N 0.36 0.79 -0.02 3.15 1.57 -1.33 -2.65 116.57 118.43 1gh8 h LYS 24 Ca 0.22 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1gh8 h LYS 24 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1gh8 h LYS 24 CO -0.21 0.84 -0.26 0.93 -0.57 0.00 0.00 179.45 180.18 1gh8 h GLU 25 N 0.63 0.03 -0.29 3.15 4.39 -0.86 -2.73 114.58 118.90 1gh8 h GLU 25 Ca 0.13 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1gh8 h GLU 25 Cb 0.49 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1gh8 h GLU 25 CO 0.02 0.29 0.18 0.82 -1.16 0.00 0.00 179.01 179.15 1gh8 h ILE 26 N 0.02 1.10 -0.68 3.13 2.04 0.41 -0.13 117.51 123.41 1gh8 h ILE 26 Ca 0.00 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1gh8 h ILE 26 Cb 0.47 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1gh8 h ILE 26 CO 0.03 0.09 0.27 1.56 0.00 0.00 0.00 178.15 180.11 1gh8 h GLN 27 N 0.37 0.99 0.00 2.37 4.20 -1.30 -1.72 115.11 120.02 1gh8 h GLN 27 Ca 0.10 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1gh8 h GLN 27 Cb 0.00 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1gh8 h GLN 27 CO -0.02 0.80 -0.09 1.05 -0.67 0.00 0.00 178.83 179.90 1gh8 h GLU 28 N 0.97 0.00 0.00 1.46 -0.00 -1.30 -3.10 114.58 112.61 1gh8 h GLU 28 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.59 1gh8 h GLU 28 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.93 1gh8 h GLU 28 CO -0.02 0.09 -0.62 2.89 -0.00 0.00 0.00 179.01 181.36 1gh8 n ARG 29 N -3.14 0.21 -1.81 1.06 1.85 -0.09 -4.89 116.66 109.84 1gh8 n ARG 29 Ca 0.03 0.05 -0.41 0.00 -1.00 0.00 0.00 57.85 56.52 1gh8 n ARG 29 Cb 0.51 -1.62 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 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 -3.12 2.12 0.15 8.89 -1.09 -0.69 -4.78 121.20 122.69 1gh8 s ILE 30 Ca 0.07 0.11 -0.34 0.00 -2.23 0.00 0.00 60.65 58.27 1gh8 s ILE 30 Cb 0.15 -3.07 -0.14 0.00 -1.58 0.00 0.00 42.46 37.82 1gh8 s ILE 30 CO 0.72 0.02 1.61 -0.81 -1.23 0.00 0.00 174.94 175.25 1gh8 n PRO 31 N 1.56 2.23 0.00 2.79 -0.04 -1.26 -4.82 135.00 135.46 1gh8 n PRO 31 Ca 0.05 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1gh8 n PRO 31 Cb 0.38 -2.59 0.03 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.65 0.03 -0.06 0.54 1.02 -1.26 -2.98 120.64 121.57 1gh8 n GLU 32 Ca 0.17 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 1gh8 n GLU 32 Cb 0.30 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.15 0.00 0.00 0.62 0.00 -1.80 -3.47 103.07 98.57 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 -4.68 0.00 -4.33 4.70 -1.04 -1.16 -4.78 114.28 102.99 1gh8 n THR 34 Ca -0.06 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.78 1gh8 n THR 34 Cb 0.22 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.63 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 3.62 1.44 0.43 -2.82 -1.05 -1.26 -4.82 118.70 114.23 1gh8 s GLU 35 Ca 0.00 -1.78 -0.07 0.00 -0.15 0.00 0.00 54.97 52.97 1gh8 s GLU 35 Cb 0.00 -0.32 0.10 0.00 -0.44 0.00 0.00 34.13 33.47 1gh8 s GLU 35 CO 0.00 -0.29 0.48 1.47 0.95 0.00 0.00 175.26 177.87 1gh8 n LEU 36 N -0.49 0.00 0.00 1.83 -0.00 -1.26 -3.09 117.00 113.99 1gh8 n LEU 36 Ca -0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 56.01 55.49 1gh8 n LEU 36 Cb 0.66 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 1gh8 n LEU 36 CO 0.38 -1.14 0.00 1.57 -0.00 0.00 0.00 177.39 178.20 1gh8 n HIS 37 N -3.04 0.00 -3.64 1.47 -0.00 0.23 -3.28 115.22 106.96 1gh8 n HIS 37 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.74 1gh8 n HIS 37 Cb 0.23 0.12 -0.07 0.00 -0.00 0.00 0.00 29.99 30.27 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 -0.45 0.55 0.35 1.57 2.47 -1.23 -4.97 119.74 118.02 1gh8 s LYS 38 Ca 0.00 0.97 -0.02 0.00 -1.56 0.00 0.00 55.97 55.36 1gh8 s LYS 38 Cb 0.00 0.14 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1gh8 s LYS 38 CO 0.00 -0.12 0.59 0.42 0.16 0.00 0.00 175.35 176.40 1gh8 s ILE 39 N 1.57 5.05 -0.12 5.43 1.01 -1.25 -2.35 121.20 130.54 1gh8 s ILE 39 Ca -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1gh8 s ILE 39 Cb -0.05 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1gh8 s ILE 39 CO -0.18 -0.53 -0.17 -1.81 0.00 0.00 0.00 174.94 172.25 1gh8 s ASP 40 N -3.76 2.69 -1.31 3.58 1.11 -0.46 -4.85 116.67 113.67 1gh8 s ASP 40 Ca 0.42 -0.49 -0.12 0.00 0.18 0.00 0.00 52.55 52.54 1gh8 s ASP 40 Cb -0.10 -1.22 0.13 0.00 1.07 0.00 0.00 42.92 42.80 1gh8 s ASP 40 CO 0.35 0.03 1.86 -0.62 1.18 0.00 0.00 175.17 177.98 1gh8 n GLU 41 N 4.22 3.39 -3.82 8.23 1.02 -1.26 -0.96 120.64 131.45 1gh8 n GLU 41 Ca -0.19 -3.37 -0.36 0.00 -0.02 0.00 0.00 57.16 53.21 1gh8 n GLU 41 Cb 0.51 -3.06 -0.07 0.00 -0.02 0.00 0.00 31.44 28.80 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 1.47 3.74 0.47 3.49 2.02 -0.42 -4.94 118.70 124.52 1gh8 s GLU 42 Ca 0.43 -0.17 -0.08 0.00 0.02 0.00 0.00 54.97 55.17 1gh8 s GLU 42 Cb 0.08 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.98 1gh8 s GLU 42 CO -0.01 0.59 0.80 -1.25 0.02 0.00 0.00 175.26 175.41 1gh8 s PRO 43 N -0.47 3.63 0.00 0.39 0.04 -1.26 0.14 135.00 137.46 1gh8 s PRO 43 Ca 0.12 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1gh8 s PRO 43 Cb -0.12 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1gh8 s PRO 43 CO 0.02 -0.18 0.00 -0.89 0.04 0.00 0.00 177.00 175.99 1gh8 n ILE 44 N -1.95 0.00 0.00 0.56 2.08 -0.02 -4.72 119.36 115.31 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 0.55 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.23 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 -1.73 0.00 0.08 -1.39 0.00 -1.14 -4.88 120.51 111.45 1gh8 n ALA 45 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1gh8 n ALA 45 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1gh8 n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1gh8 h PHE 46 N 0.00 0.31 0.00 0.00 -0.00 -2.02 -3.39 116.94 111.85 1gh8 h PHE 46 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.97 57.85 1gh8 h PHE 46 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 35.89 1gh8 h PHE 46 CO 0.00 0.77 0.00 0.41 -0.00 0.00 0.00 178.31 179.49 1gh8 n GLY 47 N 0.21 -0.21 3.44 6.09 0.00 -1.26 -5.06 105.19 108.40 1gh8 n GLY 47 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 4.79 -0.13 0.99 1.43 -1.26 -4.96 118.68 119.54 1gh8 s LEU 48 Ca 0.00 -1.01 -0.17 0.00 -1.03 0.00 0.00 54.13 51.92 1gh8 s LEU 48 Cb 0.00 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1gh8 s LEU 48 CO 0.00 -1.17 0.44 -0.69 0.23 0.00 0.00 176.35 175.16 1gh8 s VAL 49 N 3.26 5.21 0.32 -1.59 1.01 -1.26 -0.84 120.40 126.52 1gh8 s VAL 49 Ca 0.18 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1gh8 s VAL 49 Cb -0.19 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1gh8 s VAL 49 CO 0.11 0.34 0.52 0.00 0.00 0.00 0.00 175.10 176.07 1gh8 s ALA 50 N 0.59 3.72 -0.20 5.51 0.00 0.36 -4.79 121.76 126.96 1gh8 s ALA 50 Ca 0.24 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1gh8 s ALA 50 Cb -0.15 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1gh8 s ALA 50 CO 0.09 0.05 -0.15 -0.51 0.00 0.00 0.00 175.76 175.24 1gh8 s LEU 51 N -4.17 2.44 -0.90 0.00 1.02 -0.22 -1.30 118.68 115.55 1gh8 s LEU 51 Ca 0.40 -0.65 -0.19 0.00 0.02 0.00 0.00 54.13 53.70 1gh8 s LEU 51 Cb -0.10 -1.55 0.13 0.00 0.02 0.00 0.00 46.19 44.69 1gh8 s LEU 51 CO 0.35 -0.02 1.10 0.20 0.02 0.00 0.00 176.35 177.99 1gh8 s ASN 52 N 1.32 6.58 -0.60 2.29 0.02 -0.13 -1.88 114.94 122.54 1gh8 s ASN 52 Ca 0.04 -1.95 -0.23 0.00 -1.02 0.00 0.00 52.86 49.70 1gh8 s ASN 52 Cb -0.14 -2.40 0.05 0.00 0.02 0.00 0.00 41.25 38.79 1gh8 s ASN 52 CO -0.10 -1.09 0.95 -0.69 0.02 0.00 0.00 177.10 176.19 1gh8 s VAL 53 N 2.77 4.35 0.65 1.60 1.01 0.67 -1.36 120.40 130.09 1gh8 s VAL 53 Ca 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1gh8 s VAL 53 Cb -0.06 -4.60 0.02 0.00 0.00 0.00 0.00 36.38 31.74 1gh8 s VAL 53 CO -0.07 -1.27 0.98 -0.04 0.00 0.00 0.00 175.10 174.69 1gh8 s MET 54 N 4.03 2.70 -0.01 2.72 -1.94 -0.99 -1.69 119.30 124.13 1gh8 s MET 54 Ca 0.27 0.03 0.00 0.00 -1.71 0.00 0.00 55.69 54.28 1gh8 s MET 54 Cb -0.14 -2.19 0.01 0.00 2.01 0.00 0.00 34.83 34.52 1gh8 s MET 54 CO 0.15 -0.92 0.01 0.14 -0.01 0.00 0.00 175.02 174.39 1gh8 s VAL 55 N -3.14 -0.03 -0.41 -6.03 -7.23 -0.22 0.77 120.40 104.10 1gh8 s VAL 55 Ca 0.56 0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.67 1gh8 s VAL 55 Cb -0.11 -0.04 0.02 0.00 0.56 0.00 0.00 36.38 36.81 1gh8 s VAL 55 CO 0.46 0.04 0.43 -0.69 -0.31 0.00 0.00 175.10 175.04 1gh8 s VAL 56 N 0.52 5.10 0.03 1.32 1.01 -1.18 -2.18 120.40 125.02 1gh8 s VAL 56 Ca -0.04 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1gh8 s VAL 56 Cb -0.06 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1gh8 s VAL 56 CO -0.01 -0.39 -0.14 0.68 0.00 0.00 0.00 175.10 175.24 1gh8 s VAL 57 N 2.12 1.07 0.13 2.92 -7.23 -0.69 -4.38 120.40 114.33 1gh8 s VAL 57 Ca 0.12 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1gh8 s VAL 57 Cb -0.17 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.81 1gh8 s VAL 57 CO 0.13 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 1gh8 n GLY 58 N 2.06 -1.78 0.01 2.32 0.00 -1.26 -1.08 105.19 105.47 1gh8 n GLY 58 Ca -0.17 0.55 0.14 0.00 0.00 0.00 0.00 46.02 46.54 1gh8 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gh8 n ASP 59 N -2.69 0.08 -2.75 1.61 8.00 -1.26 -4.79 116.55 114.75 1gh8 n ASP 59 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1gh8 n ASP 59 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gh8 n ALA 60 N -1.31 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.07 1gh8 n ALA 60 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1gh8 n ALA 60 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.02 0.00 0.28 -1.26 -5.00 120.64 114.64 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 -0.15 0.00 -1.84 0.00 -1.26 -3.75 105.19 98.19 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 0.37 -0.90 0.00 -0.02 0.00 -1.26 -2.22 105.19 101.17 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 -1.38 0.26 0.21 2.61 -2.24 -1.25 -2.50 114.28 109.99 1gh8 n THR 64 Ca 0.06 0.06 0.18 0.00 -2.27 0.00 0.00 64.05 62.08 1gh8 n THR 64 Cb 0.15 -0.71 0.82 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.28 -0.78 -0.00 -1.78 0.20 114.58 111.94 1gh8 h GLU 65 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 59.36 59.44 1gh8 h GLU 65 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 1gh8 h GLU 65 CO 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 179.01 179.23 1gh8 h ALA 66 N 1.56 2.16 0.65 1.06 0.00 -1.82 -2.10 119.26 120.78 1gh8 h ALA 66 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1gh8 h ALA 66 Cb 0.72 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1gh8 h ALA 66 CO -0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 179.25 178.57 1gh8 h ALA 67 N 1.83 -0.88 -0.62 0.00 0.00 -1.24 0.13 119.26 118.48 1gh8 h ALA 67 Ca 0.13 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1gh8 h ALA 67 Cb 0.56 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1gh8 h ALA 67 CO -0.00 -1.00 0.41 0.93 0.00 0.00 0.00 179.25 179.59 1gh8 h GLU 68 N -0.88 0.68 0.11 0.00 5.08 -1.58 -0.87 114.58 117.11 1gh8 h GLU 68 Ca -0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1gh8 h GLU 68 Cb 0.68 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1gh8 h GLU 68 CO 0.14 0.45 -0.05 1.49 -1.00 0.00 0.00 179.01 180.04 1gh8 h GLU 69 N 0.70 -0.14 0.00 2.33 4.81 -0.87 -1.73 114.58 119.69 1gh8 h GLU 69 Ca 0.25 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1gh8 h GLU 69 Cb 0.13 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1gh8 h GLU 69 CO -0.07 -0.03 0.00 0.66 -0.73 0.00 0.00 179.01 178.84 1gh8 h SER 70 N -0.21 0.00 0.62 1.04 4.64 -0.06 -1.50 113.55 118.08 1gh8 h SER 70 Ca -0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1gh8 h SER 70 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1gh8 h SER 70 CO 0.02 0.00 -0.73 -0.07 -0.87 0.00 0.00 176.83 175.18 1gh8 h LEU 71 N 0.00 0.11 -0.05 5.97 -0.00 -0.27 0.56 115.31 121.62 1gh8 h LEU 71 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1gh8 h LEU 71 Cb 0.18 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1gh8 h LEU 71 CO 0.00 0.80 0.00 -1.54 -0.00 0.00 0.00 178.44 177.70 1gh8 n SER 72 N -3.72 0.03 -0.99 -0.43 3.41 -0.56 -2.71 113.62 108.65 1gh8 n SER 72 Ca -0.02 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.09 1gh8 n SER 72 Cb 0.71 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1gh8 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gh8 n GLY 73 N -0.76 0.74 0.00 5.00 0.00 -1.06 -5.13 105.19 103.99 1gh8 n GLY 73 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.15 0.00 -1.53 -0.61 0.13 0.19 -4.79 119.36 112.91 1gh8 n ILE 74 Ca -0.09 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.22 1gh8 n ILE 74 Cb 0.80 -1.32 -0.10 0.00 -0.84 0.00 0.00 39.64 38.18 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 -1.26 0.50 0.14 9.51 4.71 -1.26 -4.77 120.64 128.21 1gh8 n GLU 75 Ca 0.00 -0.10 0.04 0.00 -0.01 0.00 0.00 57.16 57.09 1gh8 n GLU 75 Cb 0.00 -2.52 0.45 0.00 -1.01 0.00 0.00 31.44 28.36 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 16.31 0.22 1.05 0.62 0.00 -1.97 -2.76 103.07 116.54 1gh8 h GLY 76 Ca -0.12 -0.12 -0.33 0.00 0.00 0.00 0.00 47.33 46.77 1gh8 h GLY 76 CO 1.27 0.11 -1.66 -2.08 0.00 0.00 0.00 176.54 174.18 1gh8 h VAL 77 N 0.20 1.01 -3.14 4.60 2.07 -1.94 -3.41 116.25 115.64 1gh8 h VAL 77 Ca 0.05 -2.65 -0.75 0.00 0.82 0.00 0.00 66.70 64.17 1gh8 h VAL 77 Cb 0.25 2.72 -0.23 0.00 -1.52 0.00 0.00 31.29 32.51 1gh8 h VAL 77 CO 0.01 0.82 0.52 -0.44 0.02 0.00 0.00 177.57 178.50 1gh8 s SER 78 N -7.04 6.82 0.17 0.57 0.01 -1.04 -0.54 113.70 112.64 1gh8 s SER 78 Ca -0.12 -2.62 -0.30 0.00 1.31 0.00 0.00 55.95 54.22 1gh8 s SER 78 Cb 0.06 -2.29 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 1gh8 s SER 78 CO 0.84 -0.72 1.07 0.21 0.41 0.00 0.00 173.24 175.05 1gh8 s ASN 79 N 2.62 7.32 0.04 2.44 3.04 -0.93 -4.38 114.94 125.09 1gh8 s ASN 79 Ca 0.27 2.03 -0.00 0.00 0.04 0.00 0.00 52.86 55.20 1gh8 s ASN 79 Cb -0.07 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 1gh8 s ASN 79 CO -0.08 -0.19 0.17 -0.63 -3.04 0.00 0.00 177.10 173.33 1gh8 s ILE 80 N -0.20 5.18 -1.35 -5.21 1.01 -1.26 -2.60 121.20 116.76 1gh8 s ILE 80 Ca 0.49 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 1gh8 s ILE 80 Cb -0.28 -3.48 0.12 0.00 0.01 0.00 0.00 42.46 38.83 1gh8 s ILE 80 CO 0.34 0.20 2.02 1.21 0.00 0.00 0.00 174.94 178.71 1gh8 n GLU 81 N 0.57 3.35 -1.29 2.79 4.07 0.16 -4.83 120.64 125.47 1gh8 n GLU 81 Ca -0.08 -3.18 -0.33 0.00 -0.06 0.00 0.00 57.16 53.51 1gh8 n GLU 81 Cb 0.52 -3.05 -0.06 0.00 -0.06 0.00 0.00 31.44 28.79 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 3.95 4.10 -0.48 6.31 0.31 -1.26 -3.40 118.33 127.87 1gh8 n VAL 82 Ca 0.45 -2.46 0.00 0.00 -0.01 0.00 0.00 64.34 62.31 1gh8 n VAL 82 Cb 0.37 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 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 3.23 0.00 -2.99 2.52 -1.04 -1.26 -5.07 114.28 109.67 1gh8 n THR 83 Ca 0.71 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 62.13 1gh8 n THR 83 Cb 0.37 1.48 -0.05 0.00 -1.82 0.00 0.00 70.33 70.31 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 -0.09 7.10 0.08 8.00 1.11 -1.18 -5.02 116.67 126.67 1gh8 s ASP 84 Ca 0.00 1.32 -0.14 0.00 0.18 0.00 0.00 52.55 53.92 1gh8 s ASP 84 Cb 0.00 -2.45 0.02 0.00 1.07 0.00 0.00 42.92 41.56 1gh8 s ASP 84 CO 0.00 -0.09 0.32 0.54 1.18 0.00 0.00 175.17 177.12 1gh8 s VAL 85 N 0.54 0.09 -0.44 -1.27 0.11 -1.26 -0.76 120.40 117.40 1gh8 s VAL 85 Ca 0.39 -0.76 0.05 0.00 -2.93 0.00 0.00 61.98 58.74 1gh8 s VAL 85 Cb -0.19 -1.13 0.17 0.00 -1.53 0.00 0.00 36.38 33.71 1gh8 s VAL 85 CO 0.21 -0.42 0.48 -0.13 -3.33 0.00 0.00 175.10 171.91 1gh8 s ARG 86 N -3.34 0.92 -1.22 1.54 0.52 0.20 -4.93 118.95 112.64 1gh8 s ARG 86 Ca 0.00 -1.54 -0.20 0.00 -0.52 0.00 0.00 55.73 53.48 1gh8 s ARG 86 Cb 0.02 -0.82 0.04 0.00 0.52 0.00 0.00 34.95 34.70 1gh8 s ARG 86 CO -0.08 -1.34 1.72 1.03 0.02 0.00 0.00 175.30 176.65 1gh8 s ARG 87 N 0.57 3.65 -1.18 3.54 3.00 -1.26 -1.19 118.95 126.08 1gh8 s ARG 87 Ca 0.29 -1.65 -0.20 0.00 0.00 0.00 0.00 55.73 54.17 1gh8 s ARG 87 Cb -0.01 -5.45 0.07 0.00 0.00 0.00 0.00 34.95 29.56 1gh8 s ARG 87 CO -0.12 -2.54 1.60 -0.51 0.00 0.00 0.00 175.30 173.73 1gh8 s LEU 88 N 5.56 3.80 0.00 2.53 1.02 -0.90 -4.99 118.68 125.69 1gh8 s LEU 88 Ca 0.55 -2.08 0.27 0.00 0.02 0.00 0.00 54.13 52.89 1gh8 s LEU 88 Cb 0.02 -2.56 0.73 0.00 0.02 0.00 0.00 46.19 44.40 1gh8 s LEU 88 CO 0.05 -1.28 1.56 1.15 0.02 0.00 0.00 176.35 177.86