#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 3.87 -5.12 0.00 0.14 -4.69 105.19 99.38 1gh8 n GLY 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 6.68 -0.37 1.61 -4.77 -0.01 -4.76 116.67 115.05 1gh8 s ASP 3 Ca 0.00 0.89 -0.16 0.00 -3.30 0.00 0.00 52.55 49.98 1gh8 s ASP 3 Cb 0.00 -2.22 0.00 0.00 -1.09 0.00 0.00 42.92 39.61 1gh8 s ASP 3 CO 0.00 0.07 0.40 -0.69 0.70 0.00 0.00 175.17 175.65 1gh8 s VAL 4 N -1.56 5.13 -0.23 2.11 1.01 -0.12 -1.99 120.40 124.74 1gh8 s VAL 4 Ca 0.39 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1gh8 s VAL 4 Cb -0.13 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1gh8 s VAL 4 CO 0.20 -0.22 0.00 -0.69 0.00 0.00 0.00 175.10 174.39 1gh8 s VAL 5 N 2.09 3.76 0.42 2.92 1.01 -0.28 -1.67 120.40 128.65 1gh8 s VAL 5 Ca 0.12 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1gh8 s VAL 5 Cb -0.17 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1gh8 s VAL 5 CO 0.12 0.40 0.60 0.00 0.00 0.00 0.00 175.10 176.22 1gh8 s ALA 6 N 1.46 4.03 -0.06 5.51 0.00 -0.95 0.11 121.76 131.85 1gh8 s ALA 6 Ca 0.05 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 1gh8 s ALA 6 Cb -0.15 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.10 1gh8 s ALA 6 CO -0.00 -0.29 0.13 0.99 0.00 0.00 0.00 175.76 176.59 1gh8 s THR 7 N -2.42 -0.05 -0.28 0.00 2.01 -0.33 -1.12 115.64 113.44 1gh8 s THR 7 Ca 0.49 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.70 1gh8 s THR 7 Cb -0.10 -0.22 0.07 0.00 0.01 0.00 0.00 72.50 72.26 1gh8 s THR 7 CO 0.35 0.08 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.68 1gh8 s ILE 8 N 1.16 2.02 -0.75 1.82 -1.09 -0.52 -2.98 121.20 120.85 1gh8 s ILE 8 Ca -0.09 -1.73 -0.17 0.00 -2.23 0.00 0.00 60.65 56.43 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 -0.06 -0.21 0.82 -0.54 -1.23 0.00 0.00 174.94 173.72 1gh8 s LYS 9 N 1.13 3.37 -0.05 2.79 -0.14 -1.21 -0.24 119.74 125.39 1gh8 s LYS 9 Ca -0.03 -1.85 -0.15 0.00 -1.36 0.00 0.00 55.97 52.59 1gh8 s LYS 9 Cb -0.19 -4.48 -0.05 0.00 -1.68 0.00 0.00 37.83 31.42 1gh8 s LYS 9 CO -0.07 -1.50 0.40 0.14 -0.76 0.00 0.00 175.35 173.56 1gh8 s VAL 10 N 1.75 5.11 -0.09 3.17 -7.23 -0.52 0.08 120.40 122.67 1gh8 s VAL 10 Ca 0.18 0.81 -0.04 0.00 -1.81 0.00 0.00 61.98 61.12 1gh8 s VAL 10 Cb -0.15 -3.72 0.05 0.00 0.56 0.00 0.00 36.38 33.12 1gh8 s VAL 10 CO -0.03 0.50 0.19 0.00 -0.31 0.00 0.00 175.10 175.45 1gh8 s MET 11 N -0.51 0.11 -0.05 4.82 0.23 -1.16 -0.45 119.30 122.30 1gh8 s MET 11 Ca 0.23 0.51 -0.30 0.00 -1.03 0.00 0.00 55.69 55.10 1gh8 s MET 11 Cb -0.16 -0.17 -0.04 0.00 -1.53 0.00 0.00 34.83 32.94 1gh8 s MET 11 CO 0.11 -0.22 1.29 -2.14 -2.03 0.00 0.00 175.02 172.04 1gh8 s PRO 12 N 1.65 4.31 0.42 3.16 0.02 -1.26 -1.93 135.00 141.37 1gh8 s PRO 12 Ca -0.05 1.79 0.11 0.00 0.02 0.00 0.00 61.00 62.87 1gh8 s PRO 12 Cb -0.11 -3.60 0.96 0.00 0.02 0.00 0.00 34.50 31.77 1gh8 s PRO 12 CO -0.07 -0.53 2.02 0.93 -0.33 0.00 0.00 177.00 179.02 1gh8 h GLU 13 N 7.73 0.46 -7.19 5.54 5.08 -1.10 -3.43 114.58 121.66 1gh8 h GLU 13 Ca -0.35 -0.03 -0.48 0.00 -1.00 0.00 0.00 59.36 57.51 1gh8 h GLU 13 Cb 1.16 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 30.34 1gh8 h GLU 13 CO 0.90 0.30 0.38 -1.12 -1.00 0.00 0.00 179.01 178.47 1gh8 s SER 14 N -6.45 6.39 0.00 1.42 0.01 -1.26 -4.93 113.70 108.88 1gh8 s SER 14 Ca -0.08 1.65 0.15 0.00 1.31 0.00 0.00 55.95 58.98 1gh8 s SER 14 Cb 0.19 -2.52 0.81 0.00 0.21 0.00 0.00 66.02 64.71 1gh8 s SER 14 CO 0.74 -0.75 1.37 -0.81 0.41 0.00 0.00 173.24 174.20 1gh8 n PRO 15 N -1.69 0.32 -1.17 12.44 -0.04 -1.26 -3.24 135.00 140.36 1gh8 n PRO 15 Ca 0.07 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 1gh8 n PRO 15 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.17 6.57 -4.19 3.54 8.00 -1.26 -4.88 116.55 123.15 1gh8 n ASP 16 Ca 0.09 -3.18 -0.30 0.00 0.71 0.00 0.00 54.79 52.11 1gh8 n ASP 16 Cb 0.09 -1.12 -0.09 0.00 -0.02 0.00 0.00 41.12 39.98 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1gh8 n VAL 17 N 0.47 0.94 -2.14 2.53 0.31 -1.20 -4.86 118.33 114.38 1gh8 n VAL 17 Ca 0.40 -0.92 -0.32 0.00 -0.01 0.00 0.00 64.34 63.49 1gh8 n VAL 17 Cb 0.57 -2.11 -0.04 0.00 -0.91 0.00 0.00 33.84 31.35 1gh8 n VAL 17 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1gh8 s ASP 18 N 6.95 5.40 0.17 4.52 1.11 -1.26 -4.81 116.67 128.75 1gh8 s ASP 18 Ca 0.71 -0.57 -0.11 0.00 0.18 0.00 0.00 52.55 52.75 1gh8 s ASP 18 Cb 0.04 -2.56 0.07 0.00 1.07 0.00 0.00 42.92 41.55 1gh8 s ASP 18 CO 0.19 -2.46 1.70 0.17 1.18 0.00 0.00 175.17 175.95 1gh8 h LEU 19 N 16.68 0.87 -0.54 1.23 8.10 -1.89 0.34 115.31 140.10 1gh8 h LEU 19 Ca 0.02 -0.20 -0.13 0.00 0.11 0.00 0.00 57.88 57.68 1gh8 h LEU 19 Cb 1.04 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 41.02 1gh8 h LEU 19 CO 1.24 0.84 -0.24 -0.08 -4.11 0.00 0.00 178.44 176.10 1gh8 h GLU 20 N 0.85 0.92 -0.19 0.17 4.81 -1.99 0.26 114.58 119.41 1gh8 h GLU 20 Ca 0.19 -0.40 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 1gh8 h GLU 20 Cb 0.28 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1gh8 h GLU 20 CO -0.01 1.05 -0.58 0.00 -0.73 0.00 0.00 179.01 178.75 1gh8 h ALA 21 N 0.93 0.64 0.00 2.92 0.00 -1.92 -2.79 119.26 119.04 1gh8 h ALA 21 Ca 0.10 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1gh8 h ALA 21 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1gh8 h ALA 21 CO 0.07 0.69 -0.34 1.25 0.00 0.00 0.00 179.25 180.92 1gh8 h LEU 22 N 0.45 0.00 -0.78 0.00 6.46 0.05 -2.82 115.31 118.67 1gh8 h LEU 22 Ca 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1gh8 h LEU 22 Cb 1.14 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.02 1gh8 h LEU 22 CO 0.11 0.34 0.49 0.11 -0.62 0.00 0.00 178.44 178.87 1gh8 h LYS 23 N 0.00 0.93 -0.39 1.25 1.57 -0.20 0.46 116.57 120.19 1gh8 h LYS 23 Ca -0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1gh8 h LYS 23 Cb 0.65 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1gh8 h LYS 23 CO 0.04 0.61 0.01 0.87 -0.57 0.00 0.00 179.45 180.42 1gh8 h LYS 24 N 0.95 0.68 -0.02 3.15 1.57 -1.48 -2.57 116.57 118.85 1gh8 h LYS 24 Ca 0.31 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1gh8 h LYS 24 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1gh8 h LYS 24 CO -0.12 0.77 -0.28 0.93 -0.57 0.00 0.00 179.45 180.18 1gh8 h GLU 25 N 0.50 0.04 -0.28 3.15 4.39 -1.25 -2.81 114.58 118.32 1gh8 h GLU 25 Ca 0.11 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1gh8 h GLU 25 Cb 0.46 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1gh8 h GLU 25 CO 0.02 0.32 0.17 0.82 -1.16 0.00 0.00 179.01 179.18 1gh8 h ILE 26 N 0.04 1.09 -0.37 3.13 2.04 0.28 0.10 117.51 123.82 1gh8 h ILE 26 Ca 0.00 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1gh8 h ILE 26 Cb 0.51 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1gh8 h ILE 26 CO 0.04 0.09 -0.03 1.56 0.00 0.00 0.00 178.15 179.81 1gh8 h GLN 27 N 0.36 0.60 0.00 2.37 1.08 -1.24 -1.25 115.11 117.02 1gh8 h GLN 27 Ca 0.10 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1gh8 h GLN 27 Cb 0.00 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1gh8 h GLN 27 CO -0.02 0.64 -0.07 1.05 -0.95 0.00 0.00 178.83 179.49 1gh8 h GLU 28 N 0.57 0.00 0.00 1.46 4.11 -1.29 -3.07 114.58 116.36 1gh8 h GLU 28 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1gh8 h GLU 28 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1gh8 h GLU 28 CO 0.02 0.07 -0.71 2.89 0.07 0.00 0.00 179.01 181.34 1gh8 n ARG 29 N -3.13 0.22 -1.77 1.06 1.85 -0.01 -4.92 116.66 109.96 1gh8 n ARG 29 Ca 0.03 0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.50 1gh8 n ARG 29 Cb 0.49 -1.61 -0.00 0.00 -1.05 0.00 0.00 32.46 30.28 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 -1.91 1.73 -1.68 8.89 2.08 -0.53 -4.78 119.36 123.17 1gh8 n ILE 30 Ca 0.03 -0.43 -0.54 0.00 0.56 0.00 0.00 62.75 62.37 1gh8 n ILE 30 Cb 0.41 -1.98 -0.06 0.00 -0.75 0.00 0.00 39.64 37.26 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 0.91 1.53 0.00 0.38 -0.04 -1.26 -4.79 135.00 131.73 1gh8 n PRO 31 Ca 0.03 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1gh8 n PRO 31 Cb 0.38 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1gh8 n PRO 31 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1gh8 n GLU 32 N 6.08 0.00 0.13 0.54 0.00 -1.26 -2.27 120.64 123.86 1gh8 n GLU 32 Ca 0.26 0.06 -0.24 0.00 0.00 0.00 0.00 57.16 57.24 1gh8 n GLU 32 Cb 0.20 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 29.98 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1gh8 h GLY 33 N 0.00 0.56 0.00 -1.84 0.00 -1.87 -3.49 103.07 96.44 1gh8 h GLY 33 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 47.33 45.89 1gh8 h GLY 33 CO 0.00 1.26 0.00 2.41 0.00 0.00 0.00 176.54 180.21 1gh8 n THR 34 N -3.67 0.00 -4.37 4.70 -1.04 -0.96 -4.77 114.28 104.16 1gh8 n THR 34 Ca -0.19 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.64 1gh8 n THR 34 Cb 1.10 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.50 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 2.78 1.51 0.81 -2.82 2.02 -1.26 -4.85 118.70 116.88 1gh8 s GLU 35 Ca 0.00 -1.83 -0.14 0.00 0.02 0.00 0.00 54.97 53.03 1gh8 s GLU 35 Cb 0.00 -0.50 0.19 0.00 0.10 0.00 0.00 34.13 33.92 1gh8 s GLU 35 CO 0.00 -0.25 0.89 1.47 0.02 0.00 0.00 175.26 177.39 1gh8 n LEU 36 N -0.56 0.00 0.00 1.80 -0.00 -1.26 -2.75 117.00 114.23 1gh8 n LEU 36 Ca -0.01 -0.97 0.00 0.00 -0.00 0.00 0.00 56.01 55.03 1gh8 n LEU 36 Cb 0.66 -0.74 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1gh8 n LEU 36 CO 0.39 -1.51 0.00 1.57 -0.00 0.00 0.00 177.39 177.84 1gh8 n HIS 37 N -3.78 0.00 -3.64 1.47 -0.00 0.19 -3.28 115.22 106.18 1gh8 n HIS 37 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.79 1gh8 n HIS 37 Cb 0.43 0.10 -0.07 0.00 -0.00 0.00 0.00 29.99 30.45 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 -0.36 0.55 0.37 1.57 2.47 -1.23 -4.97 119.74 118.14 1gh8 s LYS 38 Ca 0.00 0.94 0.00 0.00 -1.56 0.00 0.00 55.97 55.35 1gh8 s LYS 38 Cb 0.00 0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 1gh8 s LYS 38 CO 0.00 -0.11 0.58 0.42 0.16 0.00 0.00 175.35 176.39 1gh8 s ILE 39 N 1.45 4.86 -0.11 5.43 1.01 -1.25 -2.18 121.20 130.40 1gh8 s ILE 39 Ca -0.09 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1gh8 s ILE 39 Cb -0.04 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1gh8 s ILE 39 CO -0.17 -0.51 -0.11 -0.62 0.00 0.00 0.00 174.94 173.52 1gh8 s ASP 40 N -4.08 2.29 -1.32 3.58 -1.08 -0.63 -4.85 116.67 110.59 1gh8 s ASP 40 Ca 0.42 -0.37 -0.13 0.00 -0.52 0.00 0.00 52.55 51.94 1gh8 s ASP 40 Cb -0.10 -0.97 0.11 0.00 -1.46 0.00 0.00 42.92 40.50 1gh8 s ASP 40 CO 0.36 -0.05 1.86 -0.62 0.52 0.00 0.00 175.17 177.24 1gh8 n GLU 41 N 4.59 3.26 -3.91 4.34 1.02 -1.26 -1.11 120.64 127.57 1gh8 n GLU 41 Ca -0.16 -3.27 -0.36 0.00 -0.02 0.00 0.00 57.16 53.34 1gh8 n GLU 41 Cb 0.50 -3.17 -0.07 0.00 -0.02 0.00 0.00 31.44 28.68 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 2.21 3.65 0.41 3.49 2.02 -0.19 -4.94 118.70 125.36 1gh8 s GLU 42 Ca 0.45 -0.21 -0.10 0.00 0.02 0.00 0.00 54.97 55.14 1gh8 s GLU 42 Cb 0.07 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 31.03 1gh8 s GLU 42 CO -0.01 0.58 0.77 -1.25 0.02 0.00 0.00 175.26 175.37 1gh8 s PRO 43 N -0.48 3.74 0.00 0.39 0.04 -1.26 0.15 135.00 137.58 1gh8 s PRO 43 Ca 0.11 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1gh8 s PRO 43 Cb -0.12 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1gh8 s PRO 43 CO 0.02 -0.06 0.00 -0.89 0.04 0.00 0.00 177.00 176.11 1gh8 n ILE 44 N -1.43 0.00 0.00 0.56 2.08 0.24 -4.74 119.36 116.07 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 -1.77 0.00 0.06 -1.39 0.00 -1.13 -4.88 120.51 111.40 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 0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 0.40 0.00 0.00 -0.00 -2.03 -3.38 116.94 111.93 1gh8 h PHE 46 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.97 57.84 1gh8 h PHE 46 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 35.87 1gh8 h PHE 46 CO 0.00 0.76 0.00 0.41 -0.00 0.00 0.00 178.31 179.48 1gh8 n GLY 47 N 0.07 -0.42 3.43 6.09 0.00 -1.26 -5.06 105.19 108.05 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 4.80 -0.15 0.99 1.43 -1.26 -4.87 118.68 119.63 1gh8 s LEU 48 Ca 0.00 -1.03 -0.17 0.00 -1.03 0.00 0.00 54.13 51.90 1gh8 s LEU 48 Cb 0.00 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1gh8 s LEU 48 CO 0.00 -1.18 0.42 -0.69 0.23 0.00 0.00 176.35 175.13 1gh8 s VAL 49 N 3.28 5.21 0.35 -1.59 1.01 -1.26 -0.59 120.40 126.80 1gh8 s VAL 49 Ca 0.18 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1gh8 s VAL 49 Cb -0.19 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1gh8 s VAL 49 CO 0.10 0.32 0.54 0.00 0.00 0.00 0.00 175.10 176.06 1gh8 s ALA 50 N 0.77 3.77 -0.18 5.51 0.00 0.41 -4.70 121.76 127.33 1gh8 s ALA 50 Ca 0.23 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1gh8 s ALA 50 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.95 1gh8 s ALA 50 CO 0.08 -0.05 -0.20 -0.51 0.00 0.00 0.00 175.76 175.09 1gh8 s LEU 51 N -4.31 2.11 -0.89 0.00 1.02 0.41 -1.02 118.68 116.00 1gh8 s LEU 51 Ca 0.41 -0.64 -0.19 0.00 0.02 0.00 0.00 54.13 53.72 1gh8 s LEU 51 Cb -0.10 -1.46 0.13 0.00 0.02 0.00 0.00 46.19 44.78 1gh8 s LEU 51 CO 0.35 -0.00 1.09 0.20 0.02 0.00 0.00 176.35 178.01 1gh8 s ASN 52 N 1.30 6.57 -0.57 2.29 0.02 -0.27 -1.44 114.94 122.84 1gh8 s ASN 52 Ca 0.05 -1.93 -0.23 0.00 -1.02 0.00 0.00 52.86 49.73 1gh8 s ASN 52 Cb -0.13 -2.39 0.05 0.00 0.02 0.00 0.00 41.25 38.79 1gh8 s ASN 52 CO -0.13 -1.10 0.91 -0.69 0.02 0.00 0.00 177.10 176.12 1gh8 s VAL 53 N 2.78 4.43 0.58 1.60 1.01 0.67 -1.60 120.40 129.87 1gh8 s VAL 53 Ca 0.31 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1gh8 s VAL 53 Cb -0.07 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1gh8 s VAL 53 CO -0.07 -1.15 0.89 -0.04 0.00 0.00 0.00 175.10 174.73 1gh8 s MET 54 N 3.83 2.98 -0.01 2.72 -1.94 -0.93 -1.43 119.30 124.52 1gh8 s MET 54 Ca 0.27 -0.00 0.00 0.00 -1.71 0.00 0.00 55.69 54.25 1gh8 s MET 54 Cb -0.14 -2.29 0.01 0.00 2.01 0.00 0.00 34.83 34.42 1gh8 s MET 54 CO 0.17 -0.65 0.00 0.14 -0.01 0.00 0.00 175.02 174.67 1gh8 s VAL 55 N -2.96 0.05 -0.35 -6.03 -7.23 -0.28 0.53 120.40 104.14 1gh8 s VAL 55 Ca 0.53 0.04 -0.16 0.00 -1.81 0.00 0.00 61.98 60.58 1gh8 s VAL 55 Cb -0.10 -0.10 -0.01 0.00 0.56 0.00 0.00 36.38 36.73 1gh8 s VAL 55 CO 0.45 0.05 0.43 -0.69 -0.31 0.00 0.00 175.10 175.03 1gh8 s VAL 56 N 0.39 5.10 0.06 1.32 1.01 -1.11 -2.25 120.40 124.92 1gh8 s VAL 56 Ca -0.03 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1gh8 s VAL 56 Cb -0.05 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1gh8 s VAL 56 CO -0.01 -0.16 -0.14 0.68 0.00 0.00 0.00 175.10 175.47 1gh8 s VAL 57 N 2.18 1.14 0.07 2.92 -7.23 -0.67 -4.21 120.40 114.59 1gh8 s VAL 57 Ca 0.15 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1gh8 s VAL 57 Cb -0.16 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1gh8 s VAL 57 CO 0.12 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1gh8 n GLY 58 N 1.48 -1.90 0.01 2.32 0.00 -1.26 -0.95 105.19 104.89 1gh8 n GLY 58 Ca -0.20 0.55 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 1.22 0.00 0.00 0.00 173.32 174.54 1gh8 n ASP 59 N -2.34 0.05 -2.71 1.61 8.00 -1.26 -4.79 116.55 115.12 1gh8 n ASP 59 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1gh8 n ASP 59 Cb 0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.35 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.03 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 -0.03 0.00 0.28 -1.26 -5.01 120.64 114.62 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 0.16 0.00 -1.84 0.00 -1.26 -3.85 105.19 98.41 1gh8 n GLY 62 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.35 -0.64 0.00 -0.02 0.00 -1.26 -2.39 105.19 101.24 1gh8 n GLY 63 Ca 0.01 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.14 0.22 0.22 2.61 -2.24 -1.25 -2.98 114.28 109.72 1gh8 n THR 64 Ca 0.09 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 62.11 1gh8 n THR 64 Cb 0.09 -0.70 0.84 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.17 -0.78 4.11 -1.82 -0.44 114.58 115.47 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 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1gh8 h GLU 65 CO 0.00 0.00 0.19 0.00 0.07 0.00 0.00 179.01 179.27 1gh8 h ALA 66 N 1.63 1.80 -0.09 1.06 0.00 -1.83 -1.92 119.26 119.92 1gh8 h ALA 66 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gh8 h ALA 66 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1gh8 h ALA 66 CO -0.00 -0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.01 1gh8 h ALA 67 N 1.78 0.10 -0.72 0.00 0.00 -1.36 0.33 119.26 119.40 1gh8 h ALA 67 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1gh8 h ALA 67 Cb 0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1gh8 h ALA 67 CO -0.00 -0.42 0.39 1.05 0.00 0.00 0.00 179.25 180.27 1gh8 h GLU 68 N 0.09 1.00 -0.50 0.00 4.11 -1.56 0.41 114.58 118.15 1gh8 h GLU 68 Ca 0.03 -0.12 0.07 0.00 0.07 0.00 0.00 59.36 59.41 1gh8 h GLU 68 Cb 0.00 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.00 1gh8 h GLU 68 CO -0.02 0.76 0.18 1.49 0.07 0.00 0.00 179.01 181.48 1gh8 h GLU 69 N 0.99 0.34 0.00 1.06 4.22 -1.03 0.37 114.58 120.53 1gh8 h GLU 69 Ca 0.25 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.63 1gh8 h GLU 69 Cb 0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1gh8 h GLU 69 CO -0.04 0.23 -0.18 0.66 -2.18 0.00 0.00 179.01 177.50 1gh8 h SER 70 N 0.35 0.00 0.66 1.04 4.64 0.06 -2.62 113.55 117.68 1gh8 h SER 70 Ca 0.24 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.42 1gh8 h SER 70 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1gh8 h SER 70 CO -0.24 0.18 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.15 1gh8 h LEU 71 N 0.00 0.02 -0.36 5.97 -0.00 0.18 0.52 115.31 121.64 1gh8 h LEU 71 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1gh8 h LEU 71 Cb 0.56 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1gh8 h LEU 71 CO 0.02 0.69 0.00 -1.54 -0.00 0.00 0.00 178.44 177.62 1gh8 n SER 72 N -3.74 0.18 -0.98 -0.43 3.41 0.37 -2.58 113.62 109.86 1gh8 n SER 72 Ca -0.01 0.57 -0.01 0.00 -0.26 0.00 0.00 58.87 59.15 1gh8 n SER 72 Cb 0.67 -0.60 -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 -0.95 0.74 0.00 5.00 0.00 -1.05 -5.12 105.19 103.81 1gh8 n GLY 73 Ca 0.01 -0.25 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 0.18 -4.77 119.36 112.90 1gh8 n ILE 74 Ca -0.09 0.00 -0.22 0.00 -1.10 0.00 0.00 62.75 61.35 1gh8 n ILE 74 Cb 0.79 -1.33 -0.13 0.00 -0.84 0.00 0.00 39.64 38.13 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 -0.84 0.36 0.29 9.51 4.71 -1.26 -4.73 120.64 128.67 1gh8 n GLU 75 Ca 0.00 -0.36 0.13 0.00 -0.01 0.00 0.00 57.16 56.92 1gh8 n GLU 75 Cb 0.00 -2.48 0.84 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 17.04 0.00 0.92 0.62 0.00 -1.96 -2.07 103.07 117.62 1gh8 h GLY 76 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.97 1gh8 h GLY 76 CO 1.29 0.00 -1.77 -0.24 0.00 0.00 0.00 176.54 175.82 1gh8 h VAL 77 N 0.00 0.89 -3.30 4.60 3.04 -1.95 -3.42 116.25 116.11 1gh8 h VAL 77 Ca -0.00 -2.55 -0.75 0.00 -1.01 0.00 0.00 66.70 62.38 1gh8 h VAL 77 Cb 0.04 2.65 -0.23 0.00 -2.01 0.00 0.00 31.29 31.74 1gh8 h VAL 77 CO 0.00 0.83 0.37 -0.44 -1.01 0.00 0.00 177.57 177.32 1gh8 s SER 78 N -7.02 6.72 0.04 3.17 0.01 -0.78 -0.41 113.70 115.44 1gh8 s SER 78 Ca -0.15 -2.47 -0.30 0.00 1.31 0.00 0.00 55.95 54.34 1gh8 s SER 78 Cb 0.06 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1gh8 s SER 78 CO 0.83 -0.75 1.11 0.21 0.41 0.00 0.00 173.24 175.05 1gh8 s ASN 79 N 2.69 7.19 0.06 2.44 3.04 -0.81 -4.46 114.94 125.09 1gh8 s ASN 79 Ca 0.23 1.87 0.00 0.00 0.04 0.00 0.00 52.86 55.01 1gh8 s ASN 79 Cb -0.08 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 1gh8 s ASN 79 CO -0.09 -0.39 0.17 -0.63 -3.04 0.00 0.00 177.10 173.13 1gh8 s ILE 80 N 1.04 5.18 -1.34 -5.21 1.09 -1.26 -3.00 121.20 117.71 1gh8 s ILE 80 Ca 0.56 -0.46 -0.12 0.00 -1.10 0.00 0.00 60.65 59.54 1gh8 s ILE 80 Cb -0.26 -3.51 0.12 0.00 -1.06 0.00 0.00 42.46 37.75 1gh8 s ILE 80 CO 0.29 0.16 1.97 1.21 -0.10 0.00 0.00 174.94 178.46 1gh8 n GLU 81 N 0.41 3.32 -1.02 2.79 2.13 0.11 -4.81 120.64 123.57 1gh8 n GLU 81 Ca -0.06 -3.22 -0.13 0.00 0.66 0.00 0.00 57.16 54.41 1gh8 n GLU 81 Cb 0.51 -3.08 -0.16 0.00 0.27 0.00 0.00 31.44 28.97 1gh8 n GLU 81 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1gh8 n VAL 82 N 4.16 3.04 -0.64 6.31 0.31 -1.26 -3.35 118.33 126.90 1gh8 n VAL 82 Ca 0.44 -1.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.21 1gh8 n VAL 82 Cb 0.38 -2.01 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 2.49 0.20 -3.06 2.52 -1.04 -1.26 -5.06 114.28 109.07 1gh8 n THR 83 Ca 0.44 -0.28 -0.39 0.00 -2.04 0.00 0.00 64.05 61.78 1gh8 n THR 83 Cb 0.89 1.17 -0.06 0.00 -1.82 0.00 0.00 70.33 70.52 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 -0.20 7.29 0.12 8.00 -1.08 -1.16 -5.02 116.67 124.61 1gh8 s ASP 84 Ca 0.00 1.53 -0.10 0.00 -0.52 0.00 0.00 52.55 53.46 1gh8 s ASP 84 Cb 0.00 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1gh8 s ASP 84 CO 0.00 0.22 0.26 0.54 0.52 0.00 0.00 175.17 176.71 1gh8 s VAL 85 N -1.07 0.11 -0.40 1.11 0.11 -1.26 -1.19 120.40 117.81 1gh8 s VAL 85 Ca 0.34 -1.11 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1gh8 s VAL 85 Cb -0.22 -1.43 0.16 0.00 -1.53 0.00 0.00 36.38 33.37 1gh8 s VAL 85 CO 0.24 -0.50 0.45 -0.13 -3.33 0.00 0.00 175.10 171.83 1gh8 s ARG 86 N -3.87 0.76 -1.06 1.54 0.52 0.30 -4.87 118.95 112.27 1gh8 s ARG 86 Ca 0.07 -1.01 -0.22 0.00 -0.52 0.00 0.00 55.73 54.05 1gh8 s ARG 86 Cb 0.04 -0.64 0.03 0.00 0.52 0.00 0.00 34.95 34.90 1gh8 s ARG 86 CO -0.08 -1.24 1.59 1.03 0.02 0.00 0.00 175.30 176.62 1gh8 s ARG 87 N 1.20 3.45 -1.23 3.54 1.81 -1.26 -1.13 118.95 125.34 1gh8 s ARG 87 Ca 0.21 -1.14 -0.19 0.00 -1.72 0.00 0.00 55.73 52.89 1gh8 s ARG 87 Cb -0.10 -5.34 0.08 0.00 -0.45 0.00 0.00 34.95 29.14 1gh8 s ARG 87 CO -0.05 -2.47 1.64 -0.51 -0.68 0.00 0.00 175.30 173.22 1gh8 s LEU 88 N 5.88 3.91 0.00 2.53 1.02 -0.84 -4.99 118.68 126.18 1gh8 s LEU 88 Ca 0.52 -2.28 0.27 0.00 0.02 0.00 0.00 54.13 52.66 1gh8 s LEU 88 Cb -0.00 -2.56 0.90 0.00 0.02 0.00 0.00 46.19 44.55 1gh8 s LEU 88 CO -0.05 -1.20 1.66 0.80 0.02 0.00 0.00 176.35 177.58