#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 3.92 3.03 0.00 0.97 -4.66 105.19 108.45 1gh8 n GLY 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 6.32 -0.26 1.61 1.11 0.07 -4.76 116.67 120.76 1gh8 s ASP 3 Ca 0.00 0.67 -0.11 0.00 0.18 0.00 0.00 52.55 53.29 1gh8 s ASP 3 Cb 0.00 -2.13 -0.05 0.00 1.07 0.00 0.00 42.92 41.81 1gh8 s ASP 3 CO 0.00 -0.37 0.21 -0.69 1.18 0.00 0.00 175.17 175.50 1gh8 s VAL 4 N -2.41 5.31 -0.16 -1.27 1.01 -0.66 -2.15 120.40 120.06 1gh8 s VAL 4 Ca 0.43 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1gh8 s VAL 4 Cb -0.10 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1gh8 s VAL 4 CO 0.38 0.27 -0.21 -0.69 0.00 0.00 0.00 175.10 174.85 1gh8 s VAL 5 N 1.54 2.08 0.48 2.92 1.01 -0.58 -1.10 120.40 126.77 1gh8 s VAL 5 Ca 0.09 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1gh8 s VAL 5 Cb -0.15 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1gh8 s VAL 5 CO 0.09 0.54 0.68 0.00 0.00 0.00 0.00 175.10 176.41 1gh8 s ALA 6 N 1.05 4.04 -0.05 5.51 0.00 -0.94 0.95 121.76 132.32 1gh8 s ALA 6 Ca -0.01 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 1gh8 s ALA 6 Cb -0.14 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.05 1gh8 s ALA 6 CO -0.07 -0.50 0.13 0.99 0.00 0.00 0.00 175.76 176.30 1gh8 s THR 7 N -2.57 -0.03 -0.26 0.00 2.01 -0.31 -1.44 115.64 113.03 1gh8 s THR 7 Ca 0.54 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.66 1gh8 s THR 7 Cb -0.10 -0.20 0.07 0.00 0.01 0.00 0.00 72.50 72.28 1gh8 s THR 7 CO 0.36 0.05 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.71 1gh8 s ILE 8 N 0.77 1.46 -0.69 1.82 -1.09 -0.86 -2.90 121.20 119.71 1gh8 s ILE 8 Ca -0.06 -1.39 -0.17 0.00 -2.23 0.00 0.00 60.65 56.80 1gh8 s ILE 8 Cb -0.08 -1.87 0.14 0.00 -1.58 0.00 0.00 42.46 39.08 1gh8 s ILE 8 CO -0.04 -0.30 0.75 -0.54 -1.23 0.00 0.00 174.94 173.58 1gh8 s LYS 9 N 1.39 3.26 -0.07 2.79 -0.14 -1.21 -0.26 119.74 125.49 1gh8 s LYS 9 Ca 0.00 -1.74 -0.15 0.00 -1.36 0.00 0.00 55.97 52.72 1gh8 s LYS 9 Cb -0.18 -4.41 -0.05 0.00 -1.68 0.00 0.00 37.83 31.51 1gh8 s LYS 9 CO -0.10 -1.48 0.37 0.14 -0.76 0.00 0.00 175.35 173.52 1gh8 s VAL 10 N 1.86 5.16 -0.16 3.17 -7.23 -0.71 0.05 120.40 122.55 1gh8 s VAL 10 Ca 0.15 0.74 -0.05 0.00 -1.81 0.00 0.00 61.98 61.01 1gh8 s VAL 10 Cb -0.19 -3.69 0.08 0.00 0.56 0.00 0.00 36.38 33.14 1gh8 s VAL 10 CO -0.00 0.49 0.29 -0.32 -0.31 0.00 0.00 175.10 175.24 1gh8 s MET 11 N -0.38 0.19 -0.08 4.82 0.00 -1.17 -0.67 119.30 122.02 1gh8 s MET 11 Ca 0.22 0.71 -0.30 0.00 0.00 0.00 0.00 55.69 56.32 1gh8 s MET 11 Cb -0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 34.83 34.48 1gh8 s MET 11 CO 0.10 -0.35 1.52 -2.14 0.00 0.00 0.00 175.02 174.14 1gh8 s PRO 12 N 2.45 4.20 0.54 4.11 0.02 -1.26 -2.31 135.00 142.75 1gh8 s PRO 12 Ca 0.02 2.01 0.22 0.00 0.02 0.00 0.00 61.00 63.28 1gh8 s PRO 12 Cb -0.13 -3.88 1.41 0.00 0.02 0.00 0.00 34.50 31.91 1gh8 s PRO 12 CO -0.10 -0.78 2.09 0.93 -0.33 0.00 0.00 177.00 178.81 1gh8 h GLU 13 N 8.99 0.00 -7.08 5.54 5.08 -1.14 -3.43 114.58 122.54 1gh8 h GLU 13 Ca -0.35 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.55 1gh8 h GLU 13 Cb 1.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1gh8 h GLU 13 CO 0.95 0.00 0.36 -1.12 -1.00 0.00 0.00 179.01 178.21 1gh8 s SER 14 N -6.52 6.60 0.00 1.42 0.01 -1.26 -4.93 113.70 109.03 1gh8 s SER 14 Ca -0.05 1.79 0.09 0.00 1.31 0.00 0.00 55.95 59.09 1gh8 s SER 14 Cb 0.18 -2.55 0.43 0.00 0.21 0.00 0.00 66.02 64.29 1gh8 s SER 14 CO 0.67 -0.60 1.25 -0.81 0.41 0.00 0.00 173.24 174.16 1gh8 n PRO 15 N -0.92 0.05 -0.90 12.44 -0.04 -1.26 -2.71 135.00 141.66 1gh8 n PRO 15 Ca 0.08 0.28 -0.19 0.00 -0.04 0.00 0.00 63.50 63.64 1gh8 n PRO 15 Cb 0.53 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.41 5.60 -4.57 3.54 2.03 -1.26 -4.88 116.55 115.61 1gh8 n ASP 16 Ca 0.03 -3.14 -0.24 0.00 0.52 0.00 0.00 54.79 51.96 1gh8 n ASP 16 Cb 0.10 -0.92 -0.06 0.00 -0.72 0.00 0.00 41.12 39.51 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 -2.56 3.39 -0.48 5.18 0.11 -1.10 -4.89 120.40 120.05 1gh8 s VAL 17 Ca 0.37 -0.47 -0.27 0.00 -2.93 0.00 0.00 61.98 58.68 1gh8 s VAL 17 Cb 0.30 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.07 1gh8 s VAL 17 CO 0.02 -0.77 1.80 -1.81 -3.33 0.00 0.00 175.10 171.01 1gh8 s ASP 18 N 7.95 5.61 0.07 3.54 1.01 -1.26 -4.84 116.67 128.75 1gh8 s ASP 18 Ca 0.73 0.78 -0.27 0.00 0.71 0.00 0.00 52.55 54.51 1gh8 s ASP 18 Cb -0.05 -2.53 -0.17 0.00 1.01 0.00 0.00 42.92 41.18 1gh8 s ASP 18 CO 0.06 -2.03 1.66 0.25 0.21 0.00 0.00 175.17 175.32 1gh8 h LEU 19 N 14.96 -0.28 -0.63 1.23 6.46 -1.91 0.24 115.31 135.37 1gh8 h LEU 19 Ca -0.29 -0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.30 1gh8 h LEU 19 Cb 1.16 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1gh8 h LEU 19 CO 1.13 -0.17 -0.54 1.05 -0.62 0.00 0.00 178.44 179.29 1gh8 h GLU 20 N -0.37 0.41 -0.29 1.25 4.11 -1.99 -0.03 114.58 117.67 1gh8 h GLU 20 Ca -0.03 -0.25 -0.11 0.00 0.07 0.00 0.00 59.36 59.04 1gh8 h GLU 20 Cb 0.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1gh8 h GLU 20 CO 0.06 0.84 -0.28 0.00 0.07 0.00 0.00 179.01 179.69 1gh8 h ALA 21 N 1.11 0.98 -0.23 1.06 0.00 -1.94 -1.97 119.26 118.26 1gh8 h ALA 21 Ca 0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1gh8 h ALA 21 Cb 1.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1gh8 h ALA 21 CO 0.09 0.60 -0.19 1.25 0.00 0.00 0.00 179.25 181.01 1gh8 h LEU 22 N 0.50 0.39 -0.50 0.00 5.85 -0.13 -2.34 115.31 119.09 1gh8 h LEU 22 Ca 0.07 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1gh8 h LEU 22 Cb 0.75 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1gh8 h LEU 22 CO 0.06 0.59 0.20 0.11 -0.34 0.00 0.00 178.44 179.06 1gh8 h LYS 23 N 0.36 0.38 -0.39 1.25 6.56 -0.24 0.47 116.57 124.96 1gh8 h LYS 23 Ca 0.06 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.57 1gh8 h LYS 23 Cb 0.54 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1gh8 h LYS 23 CO 0.04 0.25 0.00 0.87 -2.06 0.00 0.00 179.45 178.55 1gh8 h LYS 24 N 0.39 0.69 0.00 3.15 1.57 -1.18 -2.72 116.57 118.47 1gh8 h LYS 24 Ca 0.23 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1gh8 h LYS 24 Cb 0.22 -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 -0.25 0.93 -0.57 0.00 0.00 179.45 180.13 1gh8 h GLU 25 N 0.52 0.00 -0.31 3.15 4.39 -0.86 -2.90 114.58 118.57 1gh8 h GLU 25 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1gh8 h GLU 25 Cb 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1gh8 h GLU 25 CO 0.02 0.25 0.16 0.82 -1.16 0.00 0.00 179.01 179.10 1gh8 h ILE 26 N 0.00 1.14 -0.41 3.13 2.04 0.24 -1.13 117.51 122.52 1gh8 h ILE 26 Ca -0.00 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1gh8 h ILE 26 Cb 0.50 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1gh8 h ILE 26 CO 0.03 0.14 0.04 1.56 0.00 0.00 0.00 178.15 179.92 1gh8 h GLN 27 N 0.38 0.63 0.00 2.37 1.08 -1.40 -0.04 115.11 118.12 1gh8 h GLN 27 Ca 0.11 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1gh8 h GLN 27 Cb 0.08 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1gh8 h GLN 27 CO -0.02 0.62 -0.13 1.05 -0.95 0.00 0.00 178.83 179.40 1gh8 h GLU 28 N 0.60 0.00 0.00 1.46 -0.00 -1.46 -3.02 114.58 112.16 1gh8 h GLU 28 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.49 1gh8 h GLU 28 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 1gh8 h GLU 28 CO 0.01 0.13 -0.77 2.89 -0.00 0.00 0.00 179.01 181.26 1gh8 n ARG 29 N -3.17 0.31 -1.75 1.06 1.85 -0.45 -4.92 116.66 109.59 1gh8 n ARG 29 Ca 0.02 0.06 -0.42 0.00 -1.00 0.00 0.00 57.85 56.52 1gh8 n ARG 29 Cb 0.51 -1.67 -0.01 0.00 -1.05 0.00 0.00 32.46 30.24 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 -2.10 1.66 -1.63 8.89 2.08 -0.09 -4.69 119.36 123.47 1gh8 n ILE 30 Ca 0.03 -0.41 -0.54 0.00 0.56 0.00 0.00 62.75 62.39 1gh8 n ILE 30 Cb 0.45 -1.89 -0.07 0.00 -0.75 0.00 0.00 39.64 37.38 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 1.04 1.35 0.00 0.38 -0.04 -1.26 -4.78 135.00 131.69 1gh8 n PRO 31 Ca 0.04 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1gh8 n PRO 31 Cb 0.37 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 6.47 0.00 -0.06 0.54 1.02 -1.26 -2.78 120.64 124.57 1gh8 n GLU 32 Ca 0.30 0.10 -0.05 0.00 -0.02 0.00 0.00 57.16 57.49 1gh8 n GLU 32 Cb 0.19 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.00 0.00 0.62 0.00 -1.80 -3.48 103.07 98.41 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 -4.69 0.00 -4.29 4.70 -1.04 -1.12 -4.84 114.28 103.00 1gh8 n THR 34 Ca -0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 1gh8 n THR 34 Cb 0.19 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.60 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 4.48 1.37 0.93 -2.82 2.02 -1.26 -4.87 118.70 118.55 1gh8 s GLU 35 Ca 0.00 -1.73 -0.16 0.00 0.02 0.00 0.00 54.97 53.10 1gh8 s GLU 35 Cb 0.00 -0.15 0.22 0.00 0.10 0.00 0.00 34.13 34.31 1gh8 s GLU 35 CO 0.00 -0.32 1.04 1.47 0.02 0.00 0.00 175.26 177.47 1gh8 n LEU 36 N -0.42 0.00 0.00 1.80 -0.00 -1.26 -3.01 117.00 114.10 1gh8 n LEU 36 Ca 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 56.01 54.89 1gh8 n LEU 36 Cb 0.66 -0.86 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 1gh8 n LEU 36 CO 0.36 -1.62 0.00 1.57 -0.00 0.00 0.00 177.39 177.70 1gh8 n HIS 37 N -4.00 0.00 -3.64 1.47 -0.00 0.13 -3.34 115.22 105.84 1gh8 n HIS 37 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.80 1gh8 n HIS 37 Cb 0.49 0.08 -0.07 0.00 -0.00 0.00 0.00 29.99 30.50 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 -0.30 0.55 0.34 1.57 2.47 -1.21 -4.97 119.74 118.19 1gh8 s LYS 38 Ca 0.00 0.92 -0.02 0.00 -1.56 0.00 0.00 55.97 55.30 1gh8 s LYS 38 Cb 0.00 0.12 -0.04 0.00 -1.46 0.00 0.00 37.83 36.45 1gh8 s LYS 38 CO 0.00 -0.11 0.58 0.42 0.16 0.00 0.00 175.35 176.40 1gh8 s ILE 39 N 1.38 5.05 -0.17 5.43 1.01 -1.26 -2.17 121.20 130.48 1gh8 s ILE 39 Ca -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1gh8 s ILE 39 Cb -0.04 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1gh8 s ILE 39 CO -0.16 -0.51 -0.12 -0.62 0.00 0.00 0.00 174.94 173.54 1gh8 s ASP 40 N -3.71 3.00 -1.39 3.58 -1.08 -0.45 -4.85 116.67 111.78 1gh8 s ASP 40 Ca 0.42 -0.67 -0.13 0.00 -0.52 0.00 0.00 52.55 51.65 1gh8 s ASP 40 Cb -0.10 -1.18 0.08 0.00 -1.46 0.00 0.00 42.92 40.26 1gh8 s ASP 40 CO 0.35 -0.10 2.08 -0.62 0.52 0.00 0.00 175.17 177.40 1gh8 n GLU 41 N 4.74 3.10 -3.58 4.34 1.02 -1.26 -0.78 120.64 128.22 1gh8 n GLU 41 Ca -0.16 -2.93 -0.37 0.00 -0.02 0.00 0.00 57.16 53.69 1gh8 n GLU 41 Cb 0.48 -3.20 -0.06 0.00 -0.02 0.00 0.00 31.44 28.64 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 2.46 3.97 0.44 3.49 2.02 0.10 -4.91 118.70 126.26 1gh8 s GLU 42 Ca 0.45 0.19 -0.09 0.00 0.02 0.00 0.00 54.97 55.54 1gh8 s GLU 42 Cb 0.12 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 1gh8 s GLU 42 CO -0.05 0.52 0.79 -1.25 0.02 0.00 0.00 175.26 175.28 1gh8 s PRO 43 N -0.41 3.69 0.00 0.39 0.04 -1.26 0.14 135.00 137.59 1gh8 s PRO 43 Ca 0.19 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1gh8 s PRO 43 Cb -0.14 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1gh8 s PRO 43 CO 0.08 -0.12 0.00 -0.89 0.04 0.00 0.00 177.00 176.11 1gh8 n ILE 44 N -1.69 0.00 0.00 0.56 2.08 -0.03 -4.73 119.36 115.55 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 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.17 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 0.13 -1.39 0.00 -1.10 -4.88 120.51 111.70 1gh8 n ALA 45 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 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 0.27 0.00 0.00 0.00 177.50 177.77 1gh8 h PHE 46 N -0.04 0.06 0.00 0.00 -0.00 -2.03 -3.38 116.94 111.55 1gh8 h PHE 46 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 1gh8 h PHE 46 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 35.94 1gh8 h PHE 46 CO 0.00 0.64 0.00 0.41 -0.00 0.00 0.00 178.31 179.36 1gh8 n GLY 47 N 0.21 0.13 3.44 6.09 0.00 -1.26 -5.06 105.19 108.76 1gh8 n GLY 47 Ca -0.01 0.00 -0.44 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 4.76 -0.12 0.99 1.43 -1.26 -4.96 118.68 119.51 1gh8 s LEU 48 Ca 0.00 -0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 1gh8 s LEU 48 Cb 0.00 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1gh8 s LEU 48 CO 0.00 -1.15 0.41 -0.69 0.23 0.00 0.00 176.35 175.16 1gh8 s VAL 49 N 3.25 5.20 0.15 -1.59 1.01 -1.26 -0.85 120.40 126.31 1gh8 s VAL 49 Ca 0.19 0.82 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 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 0.38 0.36 0.00 0.00 0.00 0.00 175.10 175.96 1gh8 s ALA 50 N 0.36 3.82 -0.23 5.51 0.00 0.38 -4.74 121.76 126.86 1gh8 s ALA 50 Ca 0.23 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1gh8 s ALA 50 Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1gh8 s ALA 50 CO 0.09 0.65 -0.06 -0.51 0.00 0.00 0.00 175.76 175.92 1gh8 s LEU 51 N -2.75 2.97 -0.85 0.00 1.43 0.16 -0.72 118.68 118.92 1gh8 s LEU 51 Ca 0.40 -0.62 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 1gh8 s LEU 51 Cb -0.12 -1.69 0.12 0.00 0.03 0.00 0.00 46.19 44.53 1gh8 s LEU 51 CO 0.26 -0.07 1.05 0.20 0.23 0.00 0.00 176.35 178.02 1gh8 s ASN 52 N 1.40 6.50 -0.63 2.29 0.01 0.04 -1.73 114.94 122.83 1gh8 s ASN 52 Ca 0.03 -1.80 -0.23 0.00 -0.71 0.00 0.00 52.86 50.15 1gh8 s ASN 52 Cb -0.15 -2.39 0.06 0.00 0.41 0.00 0.00 41.25 39.17 1gh8 s ASN 52 CO -0.05 -1.13 0.98 -0.69 -1.51 0.00 0.00 177.10 174.70 1gh8 s VAL 53 N 2.91 4.30 0.60 1.60 1.01 0.64 -1.33 120.40 130.12 1gh8 s VAL 53 Ca 0.29 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1gh8 s VAL 53 Cb -0.09 -4.65 -0.00 0.00 0.00 0.00 0.00 36.38 31.64 1gh8 s VAL 53 CO -0.04 -1.36 0.94 -0.04 0.00 0.00 0.00 175.10 174.59 1gh8 s MET 54 N 4.15 3.06 -0.01 2.72 -1.94 -0.92 -2.03 119.30 124.33 1gh8 s MET 54 Ca 0.26 0.19 0.01 0.00 -1.71 0.00 0.00 55.69 54.44 1gh8 s MET 54 Cb -0.15 -2.22 0.01 0.00 2.01 0.00 0.00 34.83 34.48 1gh8 s MET 54 CO 0.14 -0.69 -0.01 0.14 -0.01 0.00 0.00 175.02 174.59 1gh8 s VAL 55 N -3.05 0.17 -0.33 -6.03 -7.23 -0.52 0.23 120.40 103.64 1gh8 s VAL 55 Ca 0.54 -0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 60.51 1gh8 s VAL 55 Cb -0.11 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 1gh8 s VAL 55 CO 0.47 0.08 0.46 -0.69 -0.31 0.00 0.00 175.10 175.11 1gh8 s VAL 56 N 0.28 5.08 0.06 1.32 1.01 -1.17 -2.22 120.40 124.76 1gh8 s VAL 56 Ca -0.02 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1gh8 s VAL 56 Cb -0.05 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1gh8 s VAL 56 CO -0.01 -0.10 -0.14 0.68 0.00 0.00 0.00 175.10 175.53 1gh8 s VAL 57 N 2.25 1.13 0.00 2.92 -7.23 -0.26 -4.25 120.40 114.97 1gh8 s VAL 57 Ca 0.17 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1gh8 s VAL 57 Cb -0.16 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1gh8 s VAL 57 CO 0.12 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1gh8 n GLY 58 N 1.51 -1.98 0.06 2.32 0.00 -1.26 -1.65 105.19 104.19 1gh8 n GLY 58 Ca -0.20 0.57 0.15 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 -1.80 0.20 -3.63 1.61 9.92 -1.26 -4.81 116.55 116.78 1gh8 n ASP 59 Ca 0.00 -0.69 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 1gh8 n ASP 59 Cb 0.00 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 1gh8 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh8 n ALA 60 N -0.99 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.39 1gh8 n ALA 60 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1gh8 n ALA 60 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.04 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 0.33 0.00 -1.84 0.00 -1.26 -3.85 105.19 98.57 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 0.32 -0.67 0.00 -0.02 0.00 -1.26 -2.38 105.19 101.18 1gh8 n GLY 63 Ca 0.02 -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 -1.17 0.18 0.17 2.61 -2.24 -1.25 -2.59 114.28 109.99 1gh8 n THR 64 Ca 0.09 0.04 0.19 0.00 -2.27 0.00 0.00 64.05 62.10 1gh8 n THR 64 Cb 0.09 -0.68 0.80 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.13 -0.78 4.11 -1.82 -0.03 114.58 115.93 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 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1gh8 h GLU 65 CO 0.00 0.00 0.16 0.00 0.07 0.00 0.00 179.01 179.24 1gh8 h ALA 66 N 1.60 1.70 0.47 1.06 0.00 -1.83 -1.84 119.26 120.42 1gh8 h ALA 66 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1gh8 h ALA 66 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1gh8 h ALA 66 CO -0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 179.25 178.80 1gh8 h ALA 67 N 1.81 -0.63 -0.45 0.00 0.00 -1.27 0.64 119.26 119.35 1gh8 h ALA 67 Ca 0.06 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1gh8 h ALA 67 Cb 0.38 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1gh8 h ALA 67 CO -0.00 -0.80 0.30 0.93 0.00 0.00 0.00 179.25 179.68 1gh8 h GLU 68 N -0.75 0.44 0.23 0.00 5.08 -1.53 -0.18 114.58 117.86 1gh8 h GLU 68 Ca -0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1gh8 h GLU 68 Cb 0.54 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1gh8 h GLU 68 CO 0.11 0.29 -0.11 1.49 -1.00 0.00 0.00 179.01 179.79 1gh8 h GLU 69 N 0.45 -0.30 0.00 2.33 4.81 -0.96 -1.91 114.58 119.00 1gh8 h GLU 69 Ca 0.19 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1gh8 h GLU 69 Cb 0.18 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1gh8 h GLU 69 CO -0.05 -0.11 0.00 0.66 -0.73 0.00 0.00 179.01 178.79 1gh8 h SER 70 N -0.44 0.00 0.41 1.04 4.64 -0.12 -1.25 113.55 117.83 1gh8 h SER 70 Ca -0.03 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.12 1gh8 h SER 70 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1gh8 h SER 70 CO 0.05 0.00 -0.70 -0.07 -0.87 0.00 0.00 176.83 175.24 1gh8 h LEU 71 N 0.00 0.30 -0.07 5.97 3.38 -0.26 0.46 115.31 125.09 1gh8 h LEU 71 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1gh8 h LEU 71 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1gh8 h LEU 71 CO 0.00 0.90 0.00 -0.24 0.09 0.00 0.00 178.44 179.19 1gh8 n SER 72 N -3.80 0.04 -1.12 -0.43 2.88 -0.47 -2.41 113.62 108.30 1gh8 n SER 72 Ca -0.03 0.51 -0.02 0.00 -1.33 0.00 0.00 58.87 58.01 1gh8 n SER 72 Cb 0.69 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.93 0.73 0.00 0.46 0.00 -1.08 -5.13 105.19 99.25 1gh8 n GLY 73 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.52 -0.61 3.06 0.16 -4.81 119.36 115.83 1gh8 n ILE 74 Ca -0.11 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.74 1gh8 n ILE 74 Cb 0.86 -1.36 -0.08 0.00 0.54 0.00 0.00 39.64 39.61 1gh8 n ILE 74 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1gh8 n GLU 75 N -0.88 0.70 0.10 9.51 4.71 -1.26 -4.79 120.64 128.73 1gh8 n GLU 75 Ca 0.00 0.04 0.01 0.00 -0.01 0.00 0.00 57.16 57.20 1gh8 n GLU 75 Cb 0.00 -2.66 0.33 0.00 -1.01 0.00 0.00 31.44 28.11 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 16.08 0.29 1.04 0.62 0.00 -1.97 -3.02 103.07 116.11 1gh8 h GLY 76 Ca -0.18 -0.20 -0.32 0.00 0.00 0.00 0.00 47.33 46.63 1gh8 h GLY 76 CO 1.22 0.18 -1.68 -2.08 0.00 0.00 0.00 176.54 174.19 1gh8 h VAL 77 N 0.25 0.98 -3.17 4.60 2.07 -1.95 -3.42 116.25 115.61 1gh8 h VAL 77 Ca 0.05 -2.65 -0.74 0.00 0.82 0.00 0.00 66.70 64.17 1gh8 h VAL 77 Cb 0.49 2.66 -0.22 0.00 -1.52 0.00 0.00 31.29 32.70 1gh8 h VAL 77 CO 0.03 0.80 0.32 -0.55 0.02 0.00 0.00 177.57 178.19 1gh8 s SER 78 N -6.91 6.59 0.05 0.57 0.15 -1.14 -0.46 113.70 112.54 1gh8 s SER 78 Ca -0.12 -2.21 -0.30 0.00 0.70 0.00 0.00 55.95 54.02 1gh8 s SER 78 Cb 0.07 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 1gh8 s SER 78 CO 0.83 -0.84 1.08 0.21 1.20 0.00 0.00 173.24 175.71 1gh8 s ASN 79 N 2.97 7.25 0.04 5.45 3.04 -0.98 -4.44 114.94 128.28 1gh8 s ASN 79 Ca 0.21 1.84 -0.00 0.00 0.04 0.00 0.00 52.86 54.95 1gh8 s ASN 79 Cb -0.12 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.97 1gh8 s ASN 79 CO -0.06 -0.33 0.17 -0.63 -3.04 0.00 0.00 177.10 173.21 1gh8 s ILE 80 N 0.87 5.18 -1.35 -5.21 1.09 -1.26 -3.03 121.20 117.50 1gh8 s ILE 80 Ca 0.54 -0.41 -0.11 0.00 -1.10 0.00 0.00 60.65 59.57 1gh8 s ILE 80 Cb -0.25 -3.49 0.12 0.00 -1.06 0.00 0.00 42.46 37.78 1gh8 s ILE 80 CO 0.29 0.20 2.01 1.21 -0.10 0.00 0.00 174.94 178.55 1gh8 n GLU 81 N 0.55 3.32 -0.73 2.79 4.07 0.11 -4.80 120.64 125.95 1gh8 n GLU 81 Ca -0.08 -3.17 -0.06 0.00 -0.06 0.00 0.00 57.16 53.80 1gh8 n GLU 81 Cb 0.52 -3.07 -0.08 0.00 -0.06 0.00 0.00 31.44 28.74 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 4.06 2.44 -0.62 6.31 0.31 -1.26 -3.15 118.33 126.42 1gh8 n VAL 82 Ca 0.45 -0.96 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1gh8 n VAL 82 Cb 0.37 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 1.98 0.38 -3.11 2.52 -1.04 -1.26 -5.04 114.28 108.70 1gh8 n THR 83 Ca 0.20 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.05 61.46 1gh8 n THR 83 Cb 0.69 0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 69.96 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 -0.38 7.07 0.16 8.00 -1.08 -1.14 -5.02 116.67 124.28 1gh8 s ASP 84 Ca 0.00 1.41 -0.10 0.00 -0.52 0.00 0.00 52.55 53.35 1gh8 s ASP 84 Cb 0.00 -2.42 -0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1gh8 s ASP 84 CO 0.00 0.06 0.30 0.54 0.52 0.00 0.00 175.17 176.59 1gh8 s VAL 85 N -1.47 0.07 -0.35 1.11 0.11 -1.26 -1.16 120.40 117.45 1gh8 s VAL 85 Ca 0.41 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 1gh8 s VAL 85 Cb -0.17 -1.77 0.15 0.00 -1.53 0.00 0.00 36.38 33.06 1gh8 s VAL 85 CO 0.21 -0.31 0.38 -0.13 -3.33 0.00 0.00 175.10 171.92 1gh8 s ARG 86 N -3.95 0.56 -0.99 1.54 0.52 0.27 -4.82 118.95 112.08 1gh8 s ARG 86 Ca 0.15 -0.56 -0.23 0.00 -0.52 0.00 0.00 55.73 54.57 1gh8 s ARG 86 Cb 0.03 -0.60 0.03 0.00 0.52 0.00 0.00 34.95 34.93 1gh8 s ARG 86 CO -0.01 -1.14 1.55 1.03 0.02 0.00 0.00 175.30 176.74 1gh8 s ARG 87 N 1.78 3.38 -1.25 3.54 1.81 -1.26 -1.52 118.95 125.42 1gh8 s ARG 87 Ca 0.14 -0.94 -0.18 0.00 -1.72 0.00 0.00 55.73 53.03 1gh8 s ARG 87 Cb -0.14 -5.29 0.08 0.00 -0.45 0.00 0.00 34.95 29.16 1gh8 s ARG 87 CO -0.13 -2.45 1.65 -0.51 -0.68 0.00 0.00 175.30 173.19 1gh8 s LEU 88 N 6.02 3.98 0.00 2.53 1.02 -0.92 -5.00 118.68 126.32 1gh8 s LEU 88 Ca 0.51 -2.39 0.27 0.00 0.02 0.00 0.00 54.13 52.54 1gh8 s LEU 88 Cb -0.01 -2.55 0.80 0.00 0.02 0.00 0.00 46.19 44.45 1gh8 s LEU 88 CO -0.08 -1.15 1.60 0.23 0.02 0.00 0.00 176.35 176.97