#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 3.93 -5.12 0.00 0.82 -4.74 105.19 100.09 1gh8 n GLY 2 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 6.03 -0.14 1.61 -4.77 0.03 -4.71 116.67 114.72 1gh8 s ASP 3 Ca 0.00 0.60 -0.05 0.00 -3.30 0.00 0.00 52.55 49.80 1gh8 s ASP 3 Cb 0.00 -1.90 -0.04 0.00 -1.09 0.00 0.00 42.92 39.89 1gh8 s ASP 3 CO 0.00 -0.63 0.05 -0.69 0.70 0.00 0.00 175.17 174.60 1gh8 s VAL 4 N -2.64 4.73 -0.15 2.11 1.01 0.28 -0.63 120.40 125.11 1gh8 s VAL 4 Ca 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1gh8 s VAL 4 Cb -0.10 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1gh8 s VAL 4 CO 0.41 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 175.21 1gh8 s VAL 5 N -0.27 1.62 0.39 2.92 1.01 0.60 -0.58 120.40 126.09 1gh8 s VAL 5 Ca 0.08 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1gh8 s VAL 5 Cb -0.12 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 1gh8 s VAL 5 CO 0.02 0.47 0.56 0.00 0.00 0.00 0.00 175.10 176.14 1gh8 s ALA 6 N 1.45 4.17 -0.01 5.51 0.00 -0.98 0.06 121.76 131.96 1gh8 s ALA 6 Ca 0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 1gh8 s ALA 6 Cb -0.13 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.21 1gh8 s ALA 6 CO -0.11 -0.22 0.03 0.99 0.00 0.00 0.00 175.76 176.46 1gh8 s THR 7 N -2.34 -0.02 -0.26 0.00 2.01 -1.16 -1.15 115.64 112.72 1gh8 s THR 7 Ca 0.49 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.57 1gh8 s THR 7 Cb -0.10 -0.06 0.07 0.00 0.01 0.00 0.00 72.50 72.42 1gh8 s THR 7 CO 0.33 0.03 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.65 1gh8 s ILE 8 N 0.39 1.55 -0.76 1.82 -1.09 -0.83 -3.22 121.20 119.06 1gh8 s ILE 8 Ca -0.03 -1.43 -0.17 0.00 -2.23 0.00 0.00 60.65 56.79 1gh8 s ILE 8 Cb -0.05 -1.92 0.16 0.00 -1.58 0.00 0.00 42.46 39.07 1gh8 s ILE 8 CO -0.01 -0.27 0.82 -0.54 -1.23 0.00 0.00 174.94 173.71 1gh8 s LYS 9 N 1.35 3.39 -0.07 2.79 -0.14 -1.22 0.06 119.74 125.91 1gh8 s LYS 9 Ca -0.01 -1.89 -0.15 0.00 -1.36 0.00 0.00 55.97 52.56 1gh8 s LYS 9 Cb -0.19 -4.49 -0.05 0.00 -1.68 0.00 0.00 37.83 31.42 1gh8 s LYS 9 CO -0.09 -1.49 0.39 0.14 -0.76 0.00 0.00 175.35 173.54 1gh8 s VAL 10 N 1.67 5.14 -0.10 3.17 -7.23 -0.43 0.00 120.40 122.62 1gh8 s VAL 10 Ca 0.18 0.79 -0.04 0.00 -1.81 0.00 0.00 61.98 61.10 1gh8 s VAL 10 Cb -0.15 -3.71 0.05 0.00 0.56 0.00 0.00 36.38 33.13 1gh8 s VAL 10 CO -0.04 0.48 0.21 0.00 -0.31 0.00 0.00 175.10 175.44 1gh8 s MET 11 N -0.32 0.13 -0.19 4.82 0.23 -1.16 -0.32 119.30 122.49 1gh8 s MET 11 Ca 0.23 0.57 -0.29 0.00 -1.03 0.00 0.00 55.69 55.17 1gh8 s MET 11 Cb -0.15 -0.14 -0.02 0.00 -1.53 0.00 0.00 34.83 32.98 1gh8 s MET 11 CO 0.10 -0.23 1.47 -2.14 -2.03 0.00 0.00 175.02 172.19 1gh8 s PRO 12 N 1.81 4.01 0.52 3.16 0.02 -1.26 -1.95 135.00 141.32 1gh8 s PRO 12 Ca -0.03 1.69 0.24 0.00 0.02 0.00 0.00 61.00 62.91 1gh8 s PRO 12 Cb -0.11 -3.92 1.37 0.00 0.02 0.00 0.00 34.50 31.85 1gh8 s PRO 12 CO -0.07 -1.02 2.00 0.93 -0.33 0.00 0.00 177.00 178.51 1gh8 h GLU 13 N 9.55 0.02 -7.21 5.54 4.39 -0.96 -3.42 114.58 122.49 1gh8 h GLU 13 Ca -0.31 -0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.90 1gh8 h GLU 13 Cb 1.13 -0.01 0.04 0.00 -0.10 0.00 0.00 28.75 29.82 1gh8 h GLU 13 CO 0.99 0.02 0.38 0.45 -1.16 0.00 0.00 179.01 179.69 1gh8 s SER 14 N -6.26 6.28 0.00 1.42 0.15 -1.26 -4.93 113.70 109.10 1gh8 s SER 14 Ca -0.05 1.64 0.19 0.00 0.70 0.00 0.00 55.95 58.43 1gh8 s SER 14 Cb 0.20 -2.51 1.14 0.00 -1.71 0.00 0.00 66.02 63.13 1gh8 s SER 14 CO 0.73 -0.82 1.56 -2.65 1.20 0.00 0.00 173.24 173.26 1gh8 n PRO 15 N -1.86 0.56 -1.17 5.44 -0.02 -1.26 -3.35 135.00 133.33 1gh8 n PRO 15 Ca 0.07 0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.33 1gh8 n PRO 15 Cb 0.54 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.54 1gh8 n PRO 15 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1gh8 n ASP 16 N -1.05 6.76 -4.44 2.55 -0.08 -1.26 -4.89 116.55 114.14 1gh8 n ASP 16 Ca 0.14 -3.27 -0.24 0.00 -1.51 0.00 0.00 54.79 49.90 1gh8 n ASP 16 Cb 0.08 -1.09 -0.09 0.00 2.34 0.00 0.00 41.12 42.36 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1gh8 n VAL 17 N 0.20 0.94 -1.99 5.18 0.31 -1.21 -4.87 118.33 116.89 1gh8 n VAL 17 Ca 0.42 -0.96 -0.39 0.00 -0.01 0.00 0.00 64.34 63.40 1gh8 n VAL 17 Cb 0.57 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 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 7.33 5.30 0.06 4.52 1.11 -1.26 -4.86 116.67 128.87 1gh8 s ASP 18 Ca 0.74 0.59 -0.27 0.00 0.18 0.00 0.00 52.55 53.78 1gh8 s ASP 18 Cb -0.00 -2.53 -0.17 0.00 1.07 0.00 0.00 42.92 41.29 1gh8 s ASP 18 CO 0.17 -2.30 1.59 0.25 1.18 0.00 0.00 175.17 176.06 1gh8 h LEU 19 N 16.23 -0.37 -0.69 1.23 7.12 -1.93 0.22 115.31 137.13 1gh8 h LEU 19 Ca -0.27 -0.04 -0.13 0.00 0.13 0.00 0.00 57.88 57.57 1gh8 h LEU 19 Cb 1.17 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.39 1gh8 h LEU 19 CO 1.18 -0.20 -0.43 -0.08 -0.13 0.00 0.00 178.44 178.78 1gh8 h GLU 20 N -0.51 0.51 -0.32 1.25 4.81 -1.99 -0.38 114.58 117.95 1gh8 h GLU 20 Ca -0.04 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 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 0.07 0.85 -0.31 0.00 -0.73 0.00 0.00 179.01 178.89 1gh8 h ALA 21 N 1.12 0.86 -0.29 2.92 0.00 -1.95 -2.28 119.26 119.64 1gh8 h ALA 21 Ca 0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1gh8 h ALA 21 Cb 0.93 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1gh8 h ALA 21 CO 0.08 0.63 -0.07 1.25 0.00 0.00 0.00 179.25 181.14 1gh8 h LEU 22 N 0.58 0.45 -0.37 0.00 5.85 -0.15 -2.25 115.31 119.42 1gh8 h LEU 22 Ca 0.07 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1gh8 h LEU 22 Cb 0.82 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1gh8 h LEU 22 CO 0.07 0.57 0.16 0.11 -0.34 0.00 0.00 178.44 179.01 1gh8 h LYS 23 N 0.44 0.32 -0.53 1.25 6.56 -0.50 0.32 116.57 124.44 1gh8 h LYS 23 Ca 0.09 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.59 1gh8 h LYS 23 Cb 0.41 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.98 1gh8 h LYS 23 CO 0.02 0.21 0.05 0.87 -2.06 0.00 0.00 179.45 178.54 1gh8 h LYS 24 N 0.33 0.90 -0.10 3.15 1.57 -1.19 -2.63 116.57 118.61 1gh8 h LYS 24 Ca 0.17 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1gh8 h LYS 24 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1gh8 h LYS 24 CO -0.14 0.89 -0.24 0.93 -0.57 0.00 0.00 179.45 180.32 1gh8 h GLU 25 N 0.77 0.16 -0.49 3.15 5.08 -0.86 -2.84 114.58 119.56 1gh8 h GLU 25 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1gh8 h GLU 25 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1gh8 h GLU 25 CO 0.02 0.40 0.28 0.82 -1.00 0.00 0.00 179.01 179.52 1gh8 h ILE 26 N 0.15 1.16 -0.77 3.13 2.04 -0.01 -0.48 117.51 122.73 1gh8 h ILE 26 Ca 0.03 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1gh8 h ILE 26 Cb 0.51 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1gh8 h ILE 26 CO 0.04 0.17 0.42 1.56 0.00 0.00 0.00 178.15 180.34 1gh8 h GLN 27 N 0.65 1.07 0.00 2.37 4.20 -1.29 -1.68 115.11 120.43 1gh8 h GLN 27 Ca 0.17 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1gh8 h GLN 27 Cb 0.03 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1gh8 h GLN 27 CO -0.03 0.79 -0.16 0.93 -0.67 0.00 0.00 178.83 179.69 1gh8 h GLU 28 N 1.08 0.00 0.00 1.46 4.39 -1.36 -3.14 114.58 117.01 1gh8 h GLU 28 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1gh8 h GLU 28 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1gh8 h GLU 28 CO -0.04 0.16 -0.70 2.89 -1.16 0.00 0.00 179.01 180.15 1gh8 n ARG 29 N -3.19 0.22 -1.77 2.33 1.85 -0.23 -4.93 116.66 110.94 1gh8 n ARG 29 Ca 0.02 0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.50 1gh8 n ARG 29 Cb 0.51 -1.61 -0.00 0.00 -1.05 0.00 0.00 32.46 30.30 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 -1.92 1.72 -1.67 8.89 2.08 -0.69 -4.78 119.36 122.99 1gh8 n ILE 30 Ca 0.03 -0.43 -0.51 0.00 0.56 0.00 0.00 62.75 62.40 1gh8 n ILE 30 Cb 0.41 -1.97 -0.06 0.00 -0.75 0.00 0.00 39.64 37.27 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 0.93 1.70 0.00 0.38 -0.04 -1.26 -4.80 135.00 131.91 1gh8 n PRO 31 Ca 0.03 0.62 0.01 0.00 -0.04 0.00 0.00 63.50 64.12 1gh8 n PRO 31 Cb 0.38 -2.37 0.08 0.00 -0.04 0.00 0.00 33.50 31.55 1gh8 n PRO 31 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gh8 n GLU 32 N 4.93 0.11 -0.03 0.54 2.13 -1.26 -3.39 120.64 123.68 1gh8 n GLU 32 Ca 0.22 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.03 1gh8 n GLU 32 Cb 0.23 -1.35 -0.00 0.00 0.27 0.00 0.00 31.44 30.58 1gh8 n GLU 32 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1gh8 h GLY 33 N 0.60 0.00 0.00 8.31 0.00 -1.84 -3.47 103.07 106.67 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 -3.53 0.00 -4.18 4.70 -1.04 -1.22 -4.83 114.28 104.18 1gh8 n THR 34 Ca -0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.89 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 4.14 1.04 0.27 -2.82 2.02 -1.26 -4.91 118.70 117.18 1gh8 s GLU 35 Ca 0.00 -1.51 -0.04 0.00 0.02 0.00 0.00 54.97 53.43 1gh8 s GLU 35 Cb 0.00 0.17 0.06 0.00 0.10 0.00 0.00 34.13 34.47 1gh8 s GLU 35 CO 0.00 -0.28 0.30 1.47 0.02 0.00 0.00 175.26 176.77 1gh8 n LEU 36 N -0.17 0.00 0.00 1.80 -0.00 -1.26 -2.12 117.00 115.25 1gh8 n LEU 36 Ca -0.03 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.65 1gh8 n LEU 36 Cb 0.64 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 1gh8 n LEU 36 CO 0.32 -0.96 0.00 1.57 -0.00 0.00 0.00 177.39 178.32 1gh8 n HIS 37 N -2.71 0.00 -3.64 1.47 -0.00 0.16 -3.17 115.22 107.34 1gh8 n HIS 37 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.71 1gh8 n HIS 37 Cb 0.14 0.03 -0.07 0.00 -0.00 0.00 0.00 29.99 30.10 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 -0.12 0.56 0.39 1.57 2.47 -1.24 -4.97 119.74 118.40 1gh8 s LYS 38 Ca 0.00 0.94 -0.02 0.00 -1.56 0.00 0.00 55.97 55.33 1gh8 s LYS 38 Cb 0.00 0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.46 1gh8 s LYS 38 CO 0.00 -0.11 0.62 0.42 0.16 0.00 0.00 175.35 176.44 1gh8 s ILE 39 N 1.39 5.04 -0.16 5.43 1.01 -1.25 -2.46 121.20 130.20 1gh8 s ILE 39 Ca -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 1gh8 s ILE 39 Cb -0.04 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1gh8 s ILE 39 CO -0.16 -0.63 -0.08 -0.62 0.00 0.00 0.00 174.94 173.44 1gh8 s ASP 40 N -4.00 2.76 -1.39 3.58 2.15 -0.57 -4.84 116.67 114.36 1gh8 s ASP 40 Ca 0.43 -0.59 -0.14 0.00 0.43 0.00 0.00 52.55 52.67 1gh8 s ASP 40 Cb -0.10 -1.00 0.07 0.00 -0.30 0.00 0.00 42.92 41.59 1gh8 s ASP 40 CO 0.38 -0.14 2.04 -1.84 -0.17 0.00 0.00 175.17 175.44 1gh8 n GLU 41 N 4.84 3.06 -3.64 4.34 0.28 -1.26 -0.81 120.64 127.45 1gh8 n GLU 41 Ca -0.13 -2.94 -0.37 0.00 -0.16 0.00 0.00 57.16 53.56 1gh8 n GLU 41 Cb 0.48 -3.27 -0.07 0.00 1.43 0.00 0.00 31.44 30.02 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 2.92 3.96 0.43 3.44 2.02 0.45 -4.92 118.70 127.00 1gh8 s GLU 42 Ca 0.47 0.07 -0.11 0.00 0.02 0.00 0.00 54.97 55.42 1gh8 s GLU 42 Cb 0.10 -3.32 -0.06 0.00 0.10 0.00 0.00 34.13 30.95 1gh8 s GLU 42 CO -0.04 0.49 0.80 -1.25 0.02 0.00 0.00 175.26 175.28 1gh8 s PRO 43 N -0.28 3.77 0.00 0.39 0.04 -1.26 0.16 135.00 137.82 1gh8 s PRO 43 Ca 0.17 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1gh8 s PRO 43 Cb -0.13 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1gh8 s PRO 43 CO 0.05 -0.10 0.00 -0.89 0.04 0.00 0.00 177.00 176.11 1gh8 n ILE 44 N -1.47 0.00 0.00 0.56 2.08 0.07 -4.73 119.36 115.87 1gh8 n ILE 44 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1gh8 n ILE 44 Cb 0.54 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 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 -1.68 0.00 0.23 -1.39 0.00 -1.10 -4.87 120.51 111.70 1gh8 n ALA 45 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1gh8 n ALA 45 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.39 0.00 0.00 0.00 0.04 -2.04 -3.38 116.94 111.17 1gh8 h PHE 46 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1gh8 h PHE 46 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1gh8 h PHE 46 CO 0.00 0.18 0.00 0.41 -0.60 0.00 0.00 178.31 178.30 1gh8 n GLY 47 N 0.27 0.86 3.44 -1.45 0.00 -1.26 -5.06 105.19 101.99 1gh8 n GLY 47 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 4.92 -0.15 0.99 1.43 -1.26 -4.91 118.68 119.70 1gh8 s LEU 48 Ca 0.00 -0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 51.95 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 -1.04 0.41 -0.69 0.23 0.00 0.00 176.35 175.26 1gh8 s VAL 49 N 2.94 5.22 0.16 -1.59 1.01 -1.26 -0.75 120.40 126.13 1gh8 s VAL 49 Ca 0.17 0.80 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 1gh8 s VAL 49 Cb -0.19 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1gh8 s VAL 49 CO 0.11 0.33 0.38 0.00 0.00 0.00 0.00 175.10 175.92 1gh8 s ALA 50 N 0.71 3.81 -0.19 5.51 0.00 0.42 -4.71 121.76 127.32 1gh8 s ALA 50 Ca 0.22 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 1gh8 s ALA 50 Cb -0.14 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1gh8 s ALA 50 CO 0.08 0.58 -0.11 -0.51 0.00 0.00 0.00 175.76 175.80 1gh8 s LEU 51 N -2.92 2.59 -0.85 0.00 1.43 0.57 -0.42 118.68 119.08 1gh8 s LEU 51 Ca 0.40 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 1gh8 s LEU 51 Cb -0.12 -1.63 0.13 0.00 0.03 0.00 0.00 46.19 44.60 1gh8 s LEU 51 CO 0.27 0.01 1.04 0.20 0.23 0.00 0.00 176.35 178.10 1gh8 s ASN 52 N 1.27 6.53 -0.60 2.29 0.02 0.01 -1.31 114.94 123.16 1gh8 s ASN 52 Ca 0.03 -1.89 -0.23 0.00 -1.02 0.00 0.00 52.86 49.76 1gh8 s ASN 52 Cb -0.14 -2.38 0.05 0.00 0.02 0.00 0.00 41.25 38.80 1gh8 s ASN 52 CO -0.05 -1.09 0.93 -0.69 0.02 0.00 0.00 177.10 176.22 1gh8 s VAL 53 N 2.70 4.38 0.63 1.60 1.01 0.11 -1.51 120.40 129.33 1gh8 s VAL 53 Ca 0.28 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1gh8 s VAL 53 Cb -0.09 -4.59 0.01 0.00 0.00 0.00 0.00 36.38 31.72 1gh8 s VAL 53 CO -0.05 -1.25 0.96 -0.04 0.00 0.00 0.00 175.10 174.72 1gh8 s MET 54 N 3.94 2.87 -0.01 2.72 -1.94 -1.03 -1.97 119.30 123.88 1gh8 s MET 54 Ca 0.26 0.12 0.01 0.00 -1.71 0.00 0.00 55.69 54.37 1gh8 s MET 54 Cb -0.15 -2.20 0.01 0.00 2.01 0.00 0.00 34.83 34.50 1gh8 s MET 54 CO 0.15 -0.82 -0.02 0.14 -0.01 0.00 0.00 175.02 174.46 1gh8 s VAL 55 N -3.11 0.22 -0.62 -6.03 -7.23 -0.30 0.39 120.40 103.72 1gh8 s VAL 55 Ca 0.55 -0.06 -0.19 0.00 -1.81 0.00 0.00 61.98 60.47 1gh8 s VAL 55 Cb -0.11 -0.22 0.11 0.00 0.56 0.00 0.00 36.38 36.72 1gh8 s VAL 55 CO 0.47 0.09 0.74 -0.69 -0.31 0.00 0.00 175.10 175.40 1gh8 s VAL 56 N 0.26 4.82 -0.01 1.32 1.01 -0.90 -2.31 120.40 124.59 1gh8 s VAL 56 Ca -0.02 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1gh8 s VAL 56 Cb -0.05 -4.52 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 1gh8 s VAL 56 CO -0.01 -1.16 -0.12 0.68 0.00 0.00 0.00 175.10 174.49 1gh8 s VAL 57 N 2.66 0.98 0.04 2.92 -7.23 0.25 -4.14 120.40 115.88 1gh8 s VAL 57 Ca 0.13 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1gh8 s VAL 57 Cb -0.22 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1gh8 s VAL 57 CO 0.05 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1gh8 n GLY 58 N 2.79 -1.17 0.02 2.32 0.00 -1.26 -0.55 105.19 107.33 1gh8 n GLY 58 Ca -0.14 0.46 0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.83 0.21 0.00 1.61 8.00 -1.26 -4.76 116.55 117.52 1gh8 n ASP 59 Ca 0.00 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1gh8 n ASP 59 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -1.56 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 111.82 1gh8 n ALA 60 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1gh8 n ALA 60 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -5.01 120.64 114.64 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 -0.18 0.04 -1.84 0.00 -1.26 -3.71 105.19 98.24 1gh8 n GLY 62 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.11 0.00 -0.02 0.00 -1.26 -2.19 105.19 100.97 1gh8 n GLY 63 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.74 0.23 0.22 2.61 -2.24 -1.24 -2.87 114.28 109.25 1gh8 n THR 64 Ca 0.03 0.06 0.18 0.00 -2.27 0.00 0.00 64.05 62.05 1gh8 n THR 64 Cb 0.20 -0.70 0.84 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.15 -0.78 4.11 -1.77 0.02 114.58 116.02 1gh8 h GLU 65 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 1gh8 h GLU 65 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 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 1.61 1.72 0.66 1.06 0.00 -1.81 -2.08 119.26 120.42 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 0.65 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1gh8 h ALA 66 CO -0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 179.25 178.68 1gh8 h ALA 67 N 1.78 -0.89 -0.48 0.00 0.00 -1.27 0.21 119.26 118.61 1gh8 h ALA 67 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1gh8 h ALA 67 Cb 0.42 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1gh8 h ALA 67 CO -0.00 -0.96 0.32 0.93 0.00 0.00 0.00 179.25 179.54 1gh8 h GLU 68 N -0.97 0.51 0.14 0.00 5.08 -1.59 -0.96 114.58 116.80 1gh8 h GLU 68 Ca -0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1gh8 h GLU 68 Cb 0.70 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1gh8 h GLU 68 CO 0.15 0.34 -0.07 0.93 -1.00 0.00 0.00 179.01 179.36 1gh8 h GLU 69 N 0.52 -0.18 0.00 2.33 5.08 -0.92 -2.02 114.58 119.38 1gh8 h GLU 69 Ca 0.20 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1gh8 h GLU 69 Cb 0.13 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1gh8 h GLU 69 CO -0.05 -0.03 0.00 1.03 -1.00 0.00 0.00 179.01 178.96 1gh8 h SER 70 N -0.30 0.00 0.69 1.42 0.87 0.09 -1.40 113.55 114.91 1gh8 h SER 70 Ca -0.02 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.41 1gh8 h SER 70 Cb 0.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1gh8 h SER 70 CO 0.03 0.00 -0.63 -0.07 -0.53 0.00 0.00 176.83 175.63 1gh8 h LEU 71 N 0.00 0.00 -0.81 2.23 -0.00 -0.46 0.67 115.31 116.94 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1gh8 h LEU 71 CO 0.00 0.63 0.00 -0.24 -0.00 0.00 0.00 178.44 178.83 1gh8 n SER 72 N -3.72 0.45 -1.13 -0.43 2.88 -0.53 -2.92 113.62 108.22 1gh8 n SER 72 Ca -0.01 0.66 -0.02 0.00 -1.33 0.00 0.00 58.87 58.17 1gh8 n SER 72 Cb 0.64 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.75 0.73 0.00 0.46 0.00 -1.02 -5.13 105.19 99.48 1gh8 n GLY 73 Ca 0.01 -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 0.23 -4.77 119.36 115.93 1gh8 n ILE 74 Ca -0.11 0.00 -0.28 0.00 -2.50 0.00 0.00 62.75 59.86 1gh8 n ILE 74 Cb 0.86 -1.32 -0.10 0.00 0.54 0.00 0.00 39.64 39.61 1gh8 n ILE 74 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1gh8 n GLU 75 N -0.57 0.49 0.19 9.51 0.00 -1.26 -4.76 120.64 124.24 1gh8 n GLU 75 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 57.16 56.99 1gh8 n GLU 75 Cb 0.00 -2.65 0.60 0.00 0.00 0.00 0.00 31.44 29.39 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1gh8 h GLY 76 N 17.26 0.12 1.20 -1.84 0.00 -1.97 -2.33 103.07 115.51 1gh8 h GLY 76 Ca -0.08 -0.04 -0.30 0.00 0.00 0.00 0.00 47.33 46.90 1gh8 h GLY 76 CO 1.25 0.04 -1.56 -2.08 0.00 0.00 0.00 176.54 174.20 1gh8 h VAL 77 N 0.11 1.11 -3.21 4.60 2.07 -1.94 -3.41 116.25 115.57 1gh8 h VAL 77 Ca 0.04 -2.78 -0.75 0.00 0.82 0.00 0.00 66.70 64.03 1gh8 h VAL 77 Cb 0.03 2.71 -0.23 0.00 -1.52 0.00 0.00 31.29 32.28 1gh8 h VAL 77 CO -0.01 0.79 0.45 -0.44 0.02 0.00 0.00 177.57 178.39 1gh8 s SER 78 N -6.87 6.77 0.05 0.57 0.01 -0.88 -0.20 113.70 113.15 1gh8 s SER 78 Ca -0.09 -2.54 -0.30 0.00 1.31 0.00 0.00 55.95 54.33 1gh8 s SER 78 Cb 0.07 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 1gh8 s SER 78 CO 0.84 -0.74 1.15 0.21 0.41 0.00 0.00 173.24 175.11 1gh8 s ASN 79 N 2.66 7.15 0.07 2.44 3.04 -0.82 -4.39 114.94 125.08 1gh8 s ASN 79 Ca 0.25 1.93 0.01 0.00 0.04 0.00 0.00 52.86 55.09 1gh8 s ASN 79 Cb -0.08 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 37.02 1gh8 s ASN 79 CO -0.09 -0.42 0.18 -0.63 -3.04 0.00 0.00 177.10 173.10 1gh8 s ILE 80 N 1.05 5.19 -1.34 -5.21 1.09 -1.26 -3.00 121.20 117.72 1gh8 s ILE 80 Ca 0.57 -0.48 -0.11 0.00 -1.10 0.00 0.00 60.65 59.52 1gh8 s ILE 80 Cb -0.27 -3.53 0.12 0.00 -1.06 0.00 0.00 42.46 37.72 1gh8 s ILE 80 CO 0.29 0.13 1.98 1.21 -0.10 0.00 0.00 174.94 178.45 1gh8 n GLU 81 N 0.32 3.34 -1.06 2.79 2.13 0.10 -4.82 120.64 123.44 1gh8 n GLU 81 Ca -0.06 -3.21 -0.15 0.00 0.66 0.00 0.00 57.16 54.40 1gh8 n GLU 81 Cb 0.51 -3.07 -0.15 0.00 0.27 0.00 0.00 31.44 29.00 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 4.08 3.12 -0.70 6.31 0.31 -1.26 -3.37 118.33 126.82 1gh8 n VAL 82 Ca 0.44 -1.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.07 1gh8 n VAL 82 Cb 0.38 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 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 2.42 0.37 -2.99 2.52 -1.04 -1.26 -5.06 114.28 109.25 1gh8 n THR 83 Ca 0.46 -0.38 -0.34 0.00 -2.04 0.00 0.00 64.05 61.75 1gh8 n THR 83 Cb 0.85 0.79 -0.06 0.00 -1.82 0.00 0.00 70.33 70.09 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 -0.42 6.94 -0.11 8.00 1.11 -1.20 -5.03 116.67 125.96 1gh8 s ASP 84 Ca 0.01 1.50 -0.09 0.00 0.18 0.00 0.00 52.55 54.14 1gh8 s ASP 84 Cb 0.00 -2.46 0.03 0.00 1.07 0.00 0.00 42.92 41.57 1gh8 s ASP 84 CO 0.00 -0.20 0.28 -0.69 1.18 0.00 0.00 175.17 175.74 1gh8 s VAL 85 N -1.93 -0.00 -0.41 -1.27 1.01 -1.26 -2.97 120.40 113.57 1gh8 s VAL 85 Ca 0.54 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1gh8 s VAL 85 Cb -0.12 -0.40 0.17 0.00 0.00 0.00 0.00 36.38 36.03 1gh8 s VAL 85 CO 0.17 0.00 0.47 -0.60 0.00 0.00 0.00 175.10 175.14 1gh8 s ARG 86 N 0.25 0.78 -0.52 2.72 3.52 0.11 -4.95 118.95 120.85 1gh8 s ARG 86 Ca -0.01 -1.00 -0.27 0.00 -0.13 0.00 0.00 55.73 54.33 1gh8 s ARG 86 Cb -0.03 -0.59 0.03 0.00 -1.56 0.00 0.00 34.95 32.80 1gh8 s ARG 86 CO -0.00 -1.25 1.07 1.03 -0.81 0.00 0.00 175.30 175.33 1gh8 s ARG 87 N 1.19 3.53 -1.07 5.12 3.00 -1.26 -0.29 118.95 129.17 1gh8 s ARG 87 Ca 0.21 0.19 -0.19 0.00 0.00 0.00 0.00 55.73 55.95 1gh8 s ARG 87 Cb -0.08 -3.98 0.10 0.00 0.00 0.00 0.00 34.95 30.99 1gh8 s ARG 87 CO -0.06 -1.46 1.39 -0.51 0.00 0.00 0.00 175.30 174.65 1gh8 s LEU 88 N 4.35 4.34 0.00 2.53 1.43 0.19 -4.93 118.68 126.59 1gh8 s LEU 88 Ca 0.40 -2.07 0.27 0.00 -1.03 0.00 0.00 54.13 51.70 1gh8 s LEU 88 Cb -0.09 -2.49 0.74 0.00 0.03 0.00 0.00 46.19 44.38 1gh8 s LEU 88 CO 0.26 -1.18 1.57 1.15 0.23 0.00 0.00 176.35 178.38