#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 3.96 3.17 0.00 0.36 -4.66 105.19 108.02 1gh8 n GLY 2 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 5.88 -0.28 1.61 1.01 0.49 -4.63 116.67 120.76 1gh8 s ASP 3 Ca 0.00 0.20 -0.10 0.00 0.71 0.00 0.00 52.55 53.36 1gh8 s ASP 3 Cb 0.00 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.40 1gh8 s ASP 3 CO 0.00 -0.63 0.16 -0.69 0.21 0.00 0.00 175.17 174.21 1gh8 s VAL 4 N -2.47 4.97 -0.24 -1.27 1.01 -0.09 -2.29 120.40 120.02 1gh8 s VAL 4 Ca 0.47 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1gh8 s VAL 4 Cb -0.10 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1gh8 s VAL 4 CO 0.36 0.25 0.02 -0.69 0.00 0.00 0.00 175.10 175.05 1gh8 s VAL 5 N 1.71 3.82 0.07 2.92 1.01 0.35 -0.56 120.40 129.71 1gh8 s VAL 5 Ca 0.07 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1gh8 s VAL 5 Cb -0.16 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.37 1gh8 s VAL 5 CO 0.09 0.33 0.37 0.00 0.00 0.00 0.00 175.10 175.89 1gh8 s ALA 6 N 1.53 3.76 -0.06 5.51 0.00 -0.89 0.98 121.76 132.59 1gh8 s ALA 6 Ca 0.05 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1gh8 s ALA 6 Cb -0.15 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.75 1gh8 s ALA 6 CO 0.00 0.59 -0.21 0.99 0.00 0.00 0.00 175.76 177.13 1gh8 s THR 7 N -1.39 1.77 -0.29 0.00 2.01 -0.15 -0.02 115.64 117.57 1gh8 s THR 7 Ca 0.32 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1gh8 s THR 7 Cb -0.14 -1.52 0.08 0.00 0.01 0.00 0.00 72.50 70.94 1gh8 s THR 7 CO 0.18 0.50 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.97 1gh8 s ILE 8 N 0.08 1.88 -0.63 1.82 -1.09 -0.57 -2.92 121.20 119.76 1gh8 s ILE 8 Ca -0.08 -1.79 -0.18 0.00 -2.23 0.00 0.00 60.65 56.38 1gh8 s ILE 8 Cb -0.14 -2.24 0.12 0.00 -1.58 0.00 0.00 42.46 38.62 1gh8 s ILE 8 CO 0.04 -0.36 0.70 -0.54 -1.23 0.00 0.00 174.94 173.56 1gh8 s LYS 9 N 1.16 3.14 -0.07 2.79 -0.14 -1.22 -0.05 119.74 125.35 1gh8 s LYS 9 Ca 0.02 -1.55 -0.12 0.00 -1.36 0.00 0.00 55.97 52.96 1gh8 s LYS 9 Cb -0.19 -4.34 -0.05 0.00 -1.68 0.00 0.00 37.83 31.57 1gh8 s LYS 9 CO -0.09 -1.49 0.29 0.14 -0.76 0.00 0.00 175.35 173.44 1gh8 s VAL 10 N 2.20 5.25 -0.13 3.17 -7.23 -0.61 -0.02 120.40 123.03 1gh8 s VAL 10 Ca 0.12 0.57 -0.05 0.00 -1.81 0.00 0.00 61.98 60.81 1gh8 s VAL 10 Cb -0.22 -3.59 0.06 0.00 0.56 0.00 0.00 36.38 33.19 1gh8 s VAL 10 CO 0.03 0.56 0.27 0.00 -0.31 0.00 0.00 175.10 175.65 1gh8 s MET 11 N -0.81 0.17 0.07 4.82 0.23 -1.16 -0.47 119.30 122.14 1gh8 s MET 11 Ca 0.19 0.75 -0.31 0.00 -1.03 0.00 0.00 55.69 55.29 1gh8 s MET 11 Cb -0.14 -0.02 -0.07 0.00 -1.53 0.00 0.00 34.83 33.06 1gh8 s MET 11 CO 0.08 -0.27 1.48 -2.14 -2.03 0.00 0.00 175.02 172.15 1gh8 s PRO 12 N 2.29 4.26 0.46 3.16 0.02 -1.26 -2.32 135.00 141.62 1gh8 s PRO 12 Ca -0.00 2.13 0.14 0.00 0.02 0.00 0.00 61.00 63.29 1gh8 s PRO 12 Cb -0.12 -3.45 1.09 0.00 0.02 0.00 0.00 34.50 32.04 1gh8 s PRO 12 CO -0.09 -0.58 2.06 0.93 -0.33 0.00 0.00 177.00 178.99 1gh8 h GLU 13 N 7.59 0.27 -6.98 5.54 4.39 -1.08 -3.43 114.58 120.89 1gh8 h GLU 13 Ca -0.41 -0.02 -0.47 0.00 0.34 0.00 0.00 59.36 58.81 1gh8 h GLU 13 Cb 1.20 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1gh8 h GLU 13 CO 0.90 0.18 0.38 -1.12 -1.16 0.00 0.00 179.01 178.19 1gh8 s SER 14 N -6.66 6.90 0.00 1.42 0.01 -1.26 -4.92 113.70 109.19 1gh8 s SER 14 Ca -0.07 1.90 0.07 0.00 1.31 0.00 0.00 55.95 59.16 1gh8 s SER 14 Cb 0.18 -2.57 0.33 0.00 0.21 0.00 0.00 66.02 64.17 1gh8 s SER 14 CO 0.72 -0.39 1.11 -0.81 0.41 0.00 0.00 173.24 174.28 1gh8 n PRO 15 N -0.13 0.07 -0.98 12.44 -0.04 -1.26 -2.52 135.00 142.57 1gh8 n PRO 15 Ca 0.05 0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 63.57 1gh8 n PRO 15 Cb 0.51 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1gh8 n PRO 15 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1gh8 n ASP 16 N -1.35 6.44 -4.57 3.54 2.03 -1.26 -4.88 116.55 116.50 1gh8 n ASP 16 Ca 0.03 -3.23 -0.25 0.00 0.52 0.00 0.00 54.79 51.86 1gh8 n ASP 16 Cb 0.06 -1.00 -0.06 0.00 -0.72 0.00 0.00 41.12 39.40 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 -2.87 3.40 -0.75 5.18 0.11 -1.05 -4.89 120.40 119.54 1gh8 s VAL 17 Ca 0.39 -0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 58.69 1gh8 s VAL 17 Cb 0.31 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 31.05 1gh8 s VAL 17 CO 0.00 -0.79 1.71 -1.81 -3.33 0.00 0.00 175.10 170.88 1gh8 s ASP 18 N 7.83 5.56 0.19 3.54 1.01 -1.26 -4.80 116.67 128.74 1gh8 s ASP 18 Ca 0.73 -0.26 -0.10 0.00 0.71 0.00 0.00 52.55 53.63 1gh8 s ASP 18 Cb -0.05 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 41.43 1gh8 s ASP 18 CO 0.07 -2.25 1.73 0.17 0.21 0.00 0.00 175.17 175.09 1gh8 h LEU 19 N 15.64 0.95 -0.63 1.23 8.10 -1.90 0.28 115.31 138.99 1gh8 h LEU 19 Ca -0.13 -0.20 -0.14 0.00 0.11 0.00 0.00 57.88 57.52 1gh8 h LEU 19 Cb 1.09 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 41.05 1gh8 h LEU 19 CO 1.25 0.90 -0.43 -0.08 -4.11 0.00 0.00 178.44 175.97 1gh8 h GLU 20 N 0.96 0.59 -0.29 0.17 4.57 -1.99 0.42 114.58 119.01 1gh8 h GLU 20 Ca 0.22 -0.31 -0.15 0.00 -1.18 0.00 0.00 59.36 57.94 1gh8 h GLU 20 Cb 0.27 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1gh8 h GLU 20 CO -0.01 0.91 -0.42 0.00 -1.18 0.00 0.00 179.01 178.31 1gh8 h ALA 21 N 1.05 0.73 0.00 2.92 0.00 -1.92 -2.43 119.26 119.61 1gh8 h ALA 21 Ca 0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1gh8 h ALA 21 Cb 0.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1gh8 h ALA 21 CO 0.08 0.66 -0.24 -0.07 0.00 0.00 0.00 179.25 179.69 1gh8 h LEU 22 N 0.57 0.00 -0.67 0.00 3.38 0.06 -2.92 115.31 115.74 1gh8 h LEU 22 Ca 0.04 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1gh8 h LEU 22 Cb 0.96 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1gh8 h LEU 22 CO 0.09 0.24 0.36 0.11 0.09 0.00 0.00 178.44 179.32 1gh8 h LYS 23 N 0.00 0.64 -0.33 1.13 6.56 0.33 0.48 116.57 125.38 1gh8 h LYS 23 Ca -0.00 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.50 1gh8 h LYS 23 Cb 0.59 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1gh8 h LYS 23 CO 0.03 0.42 0.01 0.87 -2.06 0.00 0.00 179.45 178.72 1gh8 h LYS 24 N 0.65 0.57 0.00 3.15 1.57 -1.53 -2.67 116.57 118.31 1gh8 h LYS 24 Ca 0.31 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1gh8 h LYS 24 Cb 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1gh8 h LYS 24 CO -0.20 0.69 -0.21 0.93 -0.57 0.00 0.00 179.45 180.09 1gh8 h GLU 25 N 0.38 0.00 -0.04 3.15 5.08 -1.34 -2.88 114.58 118.93 1gh8 h GLU 25 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1gh8 h GLU 25 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1gh8 h GLU 25 CO 0.01 0.21 0.02 0.82 -1.00 0.00 0.00 179.01 179.08 1gh8 h ILE 26 N 0.00 1.02 -0.21 3.13 2.04 0.29 -0.59 117.51 123.18 1gh8 h ILE 26 Ca -0.00 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1gh8 h ILE 26 Cb 0.41 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1gh8 h ILE 26 CO 0.03 0.02 -0.13 1.56 0.00 0.00 0.00 178.15 179.62 1gh8 h GLN 27 N 0.04 0.34 0.00 2.37 1.08 -1.40 -1.52 115.11 116.02 1gh8 h GLN 27 Ca 0.01 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1gh8 h GLN 27 Cb 0.00 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1gh8 h GLN 27 CO -0.00 0.47 -0.11 1.05 -0.95 0.00 0.00 178.83 179.30 1gh8 h GLU 28 N 0.32 0.00 0.00 1.46 4.11 -1.39 -3.04 114.58 116.03 1gh8 h GLU 28 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1gh8 h GLU 28 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1gh8 h GLU 28 CO 0.03 0.11 -0.64 2.89 0.07 0.00 0.00 179.01 181.47 1gh8 n ARG 29 N -3.15 0.13 -1.75 1.06 1.85 -0.26 -4.93 116.66 109.60 1gh8 n ARG 29 Ca 0.02 0.02 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 1gh8 n ARG 29 Cb 0.50 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 30.34 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 -1.74 1.68 -1.65 8.89 2.08 -0.63 -4.69 119.36 123.30 1gh8 n ILE 30 Ca 0.04 -0.42 -0.51 0.00 0.56 0.00 0.00 62.75 62.42 1gh8 n ILE 30 Cb 0.38 -1.89 -0.06 0.00 -0.75 0.00 0.00 39.64 37.32 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 1.00 1.75 0.00 0.38 -0.04 -1.26 -4.77 135.00 132.06 1gh8 n PRO 31 Ca 0.04 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1gh8 n PRO 31 Cb 0.38 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 6.64 0.00 0.04 0.54 1.02 -1.26 -2.52 120.64 125.10 1gh8 n GLU 32 Ca 0.27 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.19 1gh8 n GLU 32 Cb 0.25 -1.44 -0.14 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.33 0.00 0.62 0.00 -1.81 -3.47 103.07 98.75 1gh8 h GLY 33 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1gh8 h GLY 33 CO 0.00 0.75 0.00 2.41 0.00 0.00 0.00 176.54 179.70 1gh8 n THR 34 N -3.99 0.00 -4.32 4.70 -1.04 -1.05 -4.76 114.28 103.83 1gh8 n THR 34 Ca -0.20 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.65 1gh8 n THR 34 Cb 0.89 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.29 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 4.97 1.38 0.97 -2.82 8.01 -1.26 -4.88 118.70 125.06 1gh8 s GLU 35 Ca 0.00 -1.73 -0.16 0.00 0.01 0.00 0.00 54.97 53.09 1gh8 s GLU 35 Cb 0.00 -0.36 0.23 0.00 -4.31 0.00 0.00 34.13 29.69 1gh8 s GLU 35 CO 0.00 -0.24 1.11 1.47 0.01 0.00 0.00 175.26 177.61 1gh8 n LEU 36 N -0.44 0.00 0.00 1.80 -0.00 -1.26 -2.14 117.00 114.96 1gh8 n LEU 36 Ca -0.02 -1.20 0.00 0.00 -0.00 0.00 0.00 56.01 54.79 1gh8 n LEU 36 Cb 0.66 -0.91 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 1gh8 n LEU 36 CO 0.37 -1.63 0.00 1.57 -0.00 0.00 0.00 177.39 177.70 1gh8 n HIS 37 N -4.04 0.00 -3.64 1.47 -0.00 0.22 -3.18 115.22 106.06 1gh8 n HIS 37 Ca 0.14 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.78 1gh8 n HIS 37 Cb 0.52 0.07 -0.07 0.00 -0.00 0.00 0.00 29.99 30.51 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 -0.25 0.67 0.32 1.57 -0.14 -1.21 -4.95 119.74 115.75 1gh8 s LYS 38 Ca 0.00 1.04 -0.01 0.00 -1.36 0.00 0.00 55.97 55.65 1gh8 s LYS 38 Cb 0.00 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.31 1gh8 s LYS 38 CO 0.00 -0.12 0.54 0.42 -0.76 0.00 0.00 175.35 175.43 1gh8 s ILE 39 N 1.20 5.09 -0.16 2.17 1.01 -1.25 -1.44 121.20 127.83 1gh8 s ILE 39 Ca -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1gh8 s ILE 39 Cb -0.05 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1gh8 s ILE 39 CO -0.13 -0.48 -0.17 -1.81 0.00 0.00 0.00 174.94 172.35 1gh8 s ASP 40 N -3.75 2.84 -1.36 3.58 1.11 -0.18 -4.84 116.67 114.07 1gh8 s ASP 40 Ca 0.41 -0.54 -0.10 0.00 0.18 0.00 0.00 52.55 52.50 1gh8 s ASP 40 Cb -0.10 -1.29 0.11 0.00 1.07 0.00 0.00 42.92 42.71 1gh8 s ASP 40 CO 0.34 -0.02 2.13 -0.62 1.18 0.00 0.00 175.17 178.18 1gh8 n GLU 41 N 4.63 3.58 -3.87 8.23 1.02 -1.26 -0.76 120.64 132.20 1gh8 n GLU 41 Ca -0.19 -3.18 -0.32 0.00 -0.02 0.00 0.00 57.16 53.46 1gh8 n GLU 41 Cb 0.50 -2.96 -0.04 0.00 -0.02 0.00 0.00 31.44 28.92 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 0.99 3.47 0.33 3.49 8.01 -0.35 -4.93 118.70 129.73 1gh8 s GLU 42 Ca 0.46 -0.34 -0.00 0.00 0.01 0.00 0.00 54.97 55.10 1gh8 s GLU 42 Cb 0.13 -3.03 -0.04 0.00 -4.31 0.00 0.00 34.13 26.88 1gh8 s GLU 42 CO -0.04 0.61 0.54 -1.25 0.01 0.00 0.00 175.26 175.13 1gh8 s PRO 43 N -2.36 3.50 0.00 0.39 0.04 -1.26 0.20 135.00 135.51 1gh8 s PRO 43 Ca 0.34 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1gh8 s PRO 43 Cb -0.13 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1gh8 s PRO 43 CO 0.25 0.17 0.00 -0.89 0.04 0.00 0.00 177.00 176.57 1gh8 n ILE 44 N -1.63 0.00 0.00 0.56 2.08 0.30 -4.71 119.36 115.96 1gh8 n ILE 44 Ca -0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.27 1gh8 n ILE 44 Cb 0.56 -0.25 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 -1.22 0.00 0.13 -1.39 0.00 -1.14 -4.88 120.51 112.00 1gh8 n ALA 45 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1gh8 n ALA 45 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 0.02 0.00 0.00 -1.00 -2.03 -3.38 116.94 110.54 1gh8 h PHE 46 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 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 0.62 0.00 0.41 -1.61 0.00 0.00 178.31 177.73 1gh8 n GLY 47 N 0.23 -0.04 3.45 -1.45 0.00 -1.26 -5.06 105.19 101.06 1gh8 n GLY 47 Ca -0.01 0.00 -0.43 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 4.53 -0.15 0.99 1.02 -1.26 -4.91 118.68 118.91 1gh8 s LEU 48 Ca 0.00 -0.97 -0.18 0.00 0.02 0.00 0.00 54.13 53.00 1gh8 s LEU 48 Cb 0.00 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.72 1gh8 s LEU 48 CO 0.00 -1.33 0.48 -0.69 0.02 0.00 0.00 176.35 174.83 1gh8 s VAL 49 N 3.76 5.16 0.04 -1.59 1.01 -1.26 -0.54 120.40 126.98 1gh8 s VAL 49 Ca 0.21 0.94 -0.09 0.00 0.00 0.00 0.00 61.98 63.04 1gh8 s VAL 49 Cb -0.18 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1gh8 s VAL 49 CO 0.11 0.27 0.35 0.00 0.00 0.00 0.00 175.10 175.83 1gh8 s ALA 50 N 0.99 3.77 -0.29 5.51 0.00 0.53 -4.71 121.76 127.56 1gh8 s ALA 50 Ca 0.25 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 1gh8 s ALA 50 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 1gh8 s ALA 50 CO 0.10 0.59 0.10 -0.51 0.00 0.00 0.00 175.76 176.04 1gh8 s LEU 51 N -1.76 3.81 -0.83 0.00 1.43 0.38 -1.21 118.68 120.50 1gh8 s LEU 51 Ca 0.30 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 1gh8 s LEU 51 Cb -0.14 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.25 1gh8 s LEU 51 CO 0.17 -0.14 1.05 0.20 0.23 0.00 0.00 176.35 177.86 1gh8 s ASN 52 N 1.58 6.47 -0.54 2.29 0.02 0.06 -1.57 114.94 123.25 1gh8 s ASN 52 Ca 0.05 -1.72 -0.24 0.00 -1.02 0.00 0.00 52.86 49.92 1gh8 s ASN 52 Cb -0.16 -2.40 0.04 0.00 0.02 0.00 0.00 41.25 38.75 1gh8 s ASN 52 CO 0.04 -1.17 0.95 -0.69 0.02 0.00 0.00 177.10 176.26 1gh8 s VAL 53 N 3.04 4.38 0.59 1.60 1.01 0.92 -1.01 120.40 130.94 1gh8 s VAL 53 Ca 0.28 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 1gh8 s VAL 53 Cb -0.09 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 1gh8 s VAL 53 CO -0.03 -1.10 0.93 -0.04 0.00 0.00 0.00 175.10 174.86 1gh8 s MET 54 N 3.97 3.15 0.00 2.72 -1.94 -0.52 -1.51 119.30 125.17 1gh8 s MET 54 Ca 0.31 0.23 -0.00 0.00 -1.71 0.00 0.00 55.69 54.52 1gh8 s MET 54 Cb -0.12 -2.23 -0.00 0.00 2.01 0.00 0.00 34.83 34.49 1gh8 s MET 54 CO 0.20 -0.62 0.00 0.14 -0.01 0.00 0.00 175.02 174.73 1gh8 s VAL 55 N -3.02 0.01 -0.60 -6.03 -7.23 0.97 0.73 120.40 105.23 1gh8 s VAL 55 Ca 0.53 -0.11 -0.21 0.00 -1.81 0.00 0.00 61.98 60.38 1gh8 s VAL 55 Cb -0.11 -0.05 0.08 0.00 0.56 0.00 0.00 36.38 36.86 1gh8 s VAL 55 CO 0.47 -0.06 0.82 -0.69 -0.31 0.00 0.00 175.10 175.34 1gh8 s VAL 56 N -0.18 4.58 -0.00 1.32 1.01 -0.91 -2.09 120.40 124.13 1gh8 s VAL 56 Ca -0.02 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1gh8 s VAL 56 Cb -0.01 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 1gh8 s VAL 56 CO -0.00 -1.21 -0.13 0.68 0.00 0.00 0.00 175.10 174.44 1gh8 s VAL 57 N 3.38 1.04 0.04 2.92 -7.23 0.28 -4.18 120.40 116.64 1gh8 s VAL 57 Ca 0.18 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 1gh8 s VAL 57 Cb -0.19 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 35.87 1gh8 s VAL 57 CO 0.10 0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1gh8 n GLY 58 N 2.62 -1.51 0.02 2.32 0.00 -1.26 -0.91 105.19 106.47 1gh8 n GLY 58 Ca -0.15 0.61 0.14 0.00 0.00 0.00 0.00 46.02 46.62 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 -2.94 0.13 -1.33 1.61 2.03 -1.26 -4.79 116.55 110.00 1gh8 n ASP 59 Ca 0.00 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1gh8 n ASP 59 Cb 0.00 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 -1.33 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.14 1gh8 n ALA 60 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1gh8 n ALA 60 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -5.01 120.64 114.64 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 -0.19 0.00 -1.84 0.00 -1.26 -3.75 105.19 98.15 1gh8 n GLY 62 Ca 0.00 -0.03 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 0.39 -0.83 0.00 -0.02 0.00 -1.26 -2.18 105.19 101.28 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 -1.34 0.22 0.20 2.61 -2.24 -1.25 -2.64 114.28 109.84 1gh8 n THR 64 Ca 0.06 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.08 1gh8 n THR 64 Cb 0.13 -0.69 0.81 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.77 0.11 114.58 115.95 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 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1gh8 h GLU 65 CO 0.00 0.00 0.23 0.00 0.07 0.00 0.00 179.01 179.31 1gh8 h ALA 66 N 1.57 2.22 0.48 1.06 0.00 -1.82 -1.76 119.26 121.01 1gh8 h ALA 66 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1gh8 h ALA 66 Cb 0.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1gh8 h ALA 66 CO -0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 179.25 178.64 1gh8 h ALA 67 N 1.83 -0.65 -0.55 0.00 0.00 -1.24 0.12 119.26 118.77 1gh8 h ALA 67 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1gh8 h ALA 67 Cb 0.59 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1gh8 h ALA 67 CO -0.00 -0.82 0.36 0.93 0.00 0.00 0.00 179.25 179.72 1gh8 h GLU 68 N -0.73 0.63 0.03 0.00 5.08 -1.55 -1.19 114.58 116.86 1gh8 h GLU 68 Ca -0.07 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1gh8 h GLU 68 Cb 0.54 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1gh8 h GLU 68 CO 0.11 0.42 -0.02 1.49 -1.00 0.00 0.00 179.01 180.01 1gh8 h GLU 69 N 0.65 -0.04 0.00 2.33 4.81 -0.86 -1.67 114.58 119.80 1gh8 h GLU 69 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1gh8 h GLU 69 Cb 0.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1gh8 h GLU 69 CO -0.06 0.06 0.00 1.03 -0.73 0.00 0.00 179.01 179.32 1gh8 h SER 70 N -0.14 0.00 0.76 1.04 0.87 -0.07 -0.91 113.55 115.11 1gh8 h SER 70 Ca -0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 1gh8 h SER 70 Cb 0.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1gh8 h SER 70 CO 0.01 0.00 -0.67 -0.07 -0.53 0.00 0.00 176.83 175.56 1gh8 h LEU 71 N 0.00 0.00 -0.37 2.23 -0.00 -0.29 0.52 115.31 117.41 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 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1gh8 h LEU 71 CO 0.00 0.67 0.00 -1.54 -0.00 0.00 0.00 178.44 177.57 1gh8 n SER 72 N -3.65 0.21 -1.05 -0.43 3.41 -0.34 -2.74 113.62 109.03 1gh8 n SER 72 Ca -0.01 0.57 -0.02 0.00 -0.26 0.00 0.00 58.87 59.16 1gh8 n SER 72 Cb 0.68 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.77 0.74 0.00 5.00 0.00 -1.05 -5.13 105.19 103.97 1gh8 n GLY 73 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.17 0.00 -1.53 -0.61 0.13 0.18 -4.78 119.36 112.93 1gh8 n ILE 74 Ca -0.10 0.00 -0.33 0.00 -1.10 0.00 0.00 62.75 61.22 1gh8 n ILE 74 Cb 0.82 -1.28 -0.10 0.00 -0.84 0.00 0.00 39.64 38.25 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 -0.92 0.50 0.24 9.51 -0.58 -1.26 -4.75 120.64 123.38 1gh8 n GLU 75 Ca 0.00 -0.12 0.14 0.00 -0.42 0.00 0.00 57.16 56.76 1gh8 n GLU 75 Cb 0.00 -2.55 0.80 0.00 -0.57 0.00 0.00 31.44 29.12 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1gh8 h GLY 76 N 16.53 0.00 0.75 0.62 0.00 -1.97 -2.20 103.07 116.80 1gh8 h GLY 76 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.87 1gh8 h GLY 76 CO 1.27 0.00 -1.89 -0.24 0.00 0.00 0.00 176.54 175.68 1gh8 h VAL 77 N 0.00 0.73 -3.20 4.60 3.04 -1.95 -3.43 116.25 116.05 1gh8 h VAL 77 Ca 0.04 -2.45 -0.74 0.00 -1.01 0.00 0.00 66.70 62.54 1gh8 h VAL 77 Cb 0.21 2.55 -0.22 0.00 -2.01 0.00 0.00 31.29 31.82 1gh8 h VAL 77 CO -0.00 0.83 0.27 -0.55 -1.01 0.00 0.00 177.57 177.11 1gh8 s SER 78 N -6.93 6.55 0.06 3.17 0.15 -0.83 -0.36 113.70 115.51 1gh8 s SER 78 Ca -0.18 -2.18 -0.30 0.00 0.70 0.00 0.00 55.95 53.99 1gh8 s SER 78 Cb 0.07 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 1gh8 s SER 78 CO 0.80 -0.84 1.10 0.21 1.20 0.00 0.00 173.24 175.71 1gh8 s ASN 79 N 2.98 7.22 -0.10 5.45 3.04 -0.98 -4.44 114.94 128.10 1gh8 s ASN 79 Ca 0.19 1.90 -0.06 0.00 0.04 0.00 0.00 52.86 54.93 1gh8 s ASN 79 Cb -0.13 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.96 1gh8 s ASN 79 CO -0.05 -0.35 0.14 -0.63 -3.04 0.00 0.00 177.10 173.17 1gh8 s ILE 80 N 0.85 5.46 -1.32 -5.21 1.01 -1.26 -3.00 121.20 117.72 1gh8 s ILE 80 Ca 0.55 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 61.21 1gh8 s ILE 80 Cb -0.26 -3.40 0.11 0.00 0.01 0.00 0.00 42.46 38.92 1gh8 s ILE 80 CO 0.29 0.58 1.86 -0.62 0.00 0.00 0.00 174.94 177.05 1gh8 n GLU 81 N 1.83 3.26 -1.13 2.79 1.02 0.98 -4.82 120.64 124.58 1gh8 n GLU 81 Ca -0.19 -3.27 -0.18 0.00 -0.02 0.00 0.00 57.16 53.50 1gh8 n GLU 81 Cb 0.55 -3.17 -0.13 0.00 -0.02 0.00 0.00 31.44 28.66 1gh8 n GLU 81 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1gh8 n VAL 82 N 4.71 3.28 -0.64 2.62 0.31 -1.26 -3.38 118.33 123.96 1gh8 n VAL 82 Ca 0.45 -1.90 0.00 0.00 -0.01 0.00 0.00 64.34 62.88 1gh8 n VAL 82 Cb 0.40 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 2.43 0.25 -3.07 2.52 -1.04 -1.26 -5.05 114.28 109.06 1gh8 n THR 83 Ca 0.49 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.05 61.81 1gh8 n THR 83 Cb 0.76 1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 70.28 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 -0.25 7.24 0.13 8.00 2.15 -1.15 -5.01 116.67 127.77 1gh8 s ASP 84 Ca 0.00 1.51 -0.10 0.00 0.43 0.00 0.00 52.55 54.39 1gh8 s ASP 84 Cb 0.00 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1gh8 s ASP 84 CO 0.00 0.18 0.27 0.54 -0.17 0.00 0.00 175.17 175.98 1gh8 s VAL 85 N -1.24 0.10 -0.21 1.11 0.11 -1.26 -0.97 120.40 118.03 1gh8 s VAL 85 Ca 0.36 -1.17 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1gh8 s VAL 85 Cb -0.21 -1.53 0.11 0.00 -1.53 0.00 0.00 36.38 33.22 1gh8 s VAL 85 CO 0.23 -0.45 0.27 -0.13 -3.33 0.00 0.00 175.10 171.70 1gh8 s ARG 86 N -3.90 0.24 -1.22 1.54 0.52 0.28 -4.84 118.95 111.57 1gh8 s ARG 86 Ca 0.10 0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 55.49 1gh8 s ARG 86 Cb 0.04 -0.95 0.17 0.00 0.52 0.00 0.00 34.95 34.73 1gh8 s ARG 86 CO -0.06 -0.64 1.48 0.54 0.02 0.00 0.00 175.30 176.63 1gh8 n ARG 87 N 5.33 3.37 -2.73 3.54 5.12 -1.26 -0.50 116.66 129.54 1gh8 n ARG 87 Ca -0.05 -3.80 -0.42 0.00 -1.93 0.00 0.00 57.85 51.64 1gh8 n ARG 87 Cb 0.50 -3.06 -0.02 0.00 -1.16 0.00 0.00 32.46 28.71 1gh8 n ARG 87 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1gh8 s LEU 88 N 1.63 4.23 0.00 0.55 1.43 -0.97 -5.02 118.68 120.52 1gh8 s LEU 88 Ca 0.43 -1.87 0.27 0.00 -1.03 0.00 0.00 54.13 51.93 1gh8 s LEU 88 Cb -0.02 -2.49 0.76 0.00 0.03 0.00 0.00 46.19 44.47 1gh8 s LEU 88 CO 0.01 -1.26 1.58 0.23 0.23 0.00 0.00 176.35 177.14