#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 3.98 -5.12 0.00 0.13 -4.52 105.19 99.66 1gh8 n GLY 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 5.41 -0.30 1.61 1.11 0.38 -4.72 116.67 120.16 1gh8 s ASP 3 Ca 0.00 -0.08 -0.09 0.00 0.18 0.00 0.00 52.55 52.56 1gh8 s ASP 3 Cb 0.00 -0.89 -0.01 0.00 1.07 0.00 0.00 42.92 43.10 1gh8 s ASP 3 CO 0.00 -1.02 0.13 -0.69 1.18 0.00 0.00 175.17 174.77 1gh8 s VAL 4 N -2.65 4.46 -0.28 -1.27 1.01 0.06 -2.20 120.40 119.53 1gh8 s VAL 4 Ca 0.56 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 1gh8 s VAL 4 Cb -0.10 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1gh8 s VAL 4 CO 0.37 0.12 0.08 -0.69 0.00 0.00 0.00 175.10 174.99 1gh8 s VAL 5 N 1.60 4.18 0.42 2.92 1.01 -0.07 -0.97 120.40 129.49 1gh8 s VAL 5 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1gh8 s VAL 5 Cb -0.17 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1gh8 s VAL 5 CO 0.05 0.20 0.65 0.00 0.00 0.00 0.00 175.10 176.00 1gh8 s ALA 6 N 1.56 3.67 -0.06 5.51 0.00 -0.87 0.15 121.76 131.74 1gh8 s ALA 6 Ca 0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1gh8 s ALA 6 Cb -0.16 -2.20 0.04 0.00 0.00 0.00 0.00 23.12 20.79 1gh8 s ALA 6 CO 0.03 -0.26 0.13 0.99 0.00 0.00 0.00 175.76 176.66 1gh8 s THR 7 N -2.51 -0.05 -0.29 0.00 2.01 0.07 -0.78 115.64 114.10 1gh8 s THR 7 Ca 0.45 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.65 1gh8 s THR 7 Cb -0.10 -0.22 0.08 0.00 0.01 0.00 0.00 72.50 72.27 1gh8 s THR 7 CO 0.38 0.07 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.71 1gh8 s ILE 8 N 1.05 2.19 -0.82 1.82 -1.09 -0.42 -3.01 121.20 120.92 1gh8 s ILE 8 Ca -0.08 -1.90 -0.17 0.00 -2.23 0.00 0.00 60.65 56.26 1gh8 s ILE 8 Cb -0.11 -2.42 0.15 0.00 -1.58 0.00 0.00 42.46 38.50 1gh8 s ILE 8 CO -0.05 -0.26 0.93 -0.54 -1.23 0.00 0.00 174.94 173.79 1gh8 s LYS 9 N 1.03 3.47 -0.01 2.79 -0.14 -1.21 -0.26 119.74 125.41 1gh8 s LYS 9 Ca -0.01 -1.85 -0.16 0.00 -1.36 0.00 0.00 55.97 52.59 1gh8 s LYS 9 Cb -0.20 -4.62 -0.06 0.00 -1.68 0.00 0.00 37.83 31.28 1gh8 s LYS 9 CO -0.06 -1.59 0.44 0.14 -0.76 0.00 0.00 175.35 173.53 1gh8 s VAL 10 N 1.98 5.01 -0.12 3.17 -7.23 -0.60 -0.01 120.40 122.60 1gh8 s VAL 10 Ca 0.24 0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 61.28 1gh8 s VAL 10 Cb -0.11 -3.76 0.06 0.00 0.56 0.00 0.00 36.38 33.14 1gh8 s VAL 10 CO -0.06 0.53 0.23 -0.32 -0.31 0.00 0.00 175.10 175.17 1gh8 s MET 11 N -0.77 0.12 -0.08 4.82 0.00 -1.15 -0.55 119.30 121.69 1gh8 s MET 11 Ca 0.25 0.65 -0.30 0.00 0.00 0.00 0.00 55.69 56.29 1gh8 s MET 11 Cb -0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 34.83 34.41 1gh8 s MET 11 CO 0.14 -0.33 1.54 -2.14 0.00 0.00 0.00 175.02 174.23 1gh8 s PRO 12 N 2.38 4.20 0.52 4.11 0.02 -1.26 -2.01 135.00 142.95 1gh8 s PRO 12 Ca 0.02 2.04 0.20 0.00 0.02 0.00 0.00 61.00 63.29 1gh8 s PRO 12 Cb -0.12 -3.91 1.30 0.00 0.02 0.00 0.00 34.50 31.79 1gh8 s PRO 12 CO -0.08 -0.80 2.07 0.93 -0.33 0.00 0.00 177.00 178.79 1gh8 h GLU 13 N 9.11 0.04 -7.11 5.54 5.08 -1.08 -3.43 114.58 122.72 1gh8 h GLU 13 Ca -0.36 -0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.54 1gh8 h GLU 13 Cb 1.16 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1gh8 h GLU 13 CO 0.96 0.03 0.37 0.45 -1.00 0.00 0.00 179.01 179.81 1gh8 s SER 14 N -6.63 6.54 0.00 1.42 0.15 -1.26 -4.92 113.70 109.00 1gh8 s SER 14 Ca -0.05 1.75 0.10 0.00 0.70 0.00 0.00 55.95 58.45 1gh8 s SER 14 Cb 0.18 -2.54 0.55 0.00 -1.71 0.00 0.00 66.02 62.51 1gh8 s SER 14 CO 0.70 -0.64 1.19 -0.81 1.20 0.00 0.00 173.24 174.88 1gh8 n PRO 15 N -1.13 0.19 -1.12 5.44 -0.04 -1.26 -3.06 135.00 134.03 1gh8 n PRO 15 Ca 0.08 0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 63.45 1gh8 n PRO 15 Cb 0.53 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.21 6.72 -4.39 3.54 2.03 -1.26 -4.88 116.55 117.09 1gh8 n ASP 16 Ca 0.06 -3.24 -0.26 0.00 0.52 0.00 0.00 54.79 51.87 1gh8 n ASP 16 Cb 0.07 -1.08 -0.09 0.00 -0.72 0.00 0.00 41.12 39.30 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1gh8 n VAL 17 N 0.22 0.99 -1.95 5.18 0.31 -1.17 -4.87 118.33 117.04 1gh8 n VAL 17 Ca 0.40 -1.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.34 1gh8 n VAL 17 Cb 0.58 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 1gh8 n VAL 17 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1gh8 s ASP 18 N 7.20 5.16 0.07 4.52 1.47 -1.26 -4.85 116.67 128.98 1gh8 s ASP 18 Ca 0.73 0.55 -0.26 0.00 1.18 0.00 0.00 52.55 54.75 1gh8 s ASP 18 Cb 0.00 -2.52 -0.17 0.00 -0.34 0.00 0.00 42.92 39.90 1gh8 s ASP 18 CO 0.18 -2.42 1.62 0.25 0.68 0.00 0.00 175.17 175.48 1gh8 h LEU 19 N 16.82 -0.20 -0.59 2.11 5.85 -1.92 0.18 115.31 137.57 1gh8 h LEU 19 Ca -0.26 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.25 1gh8 h LEU 19 Cb 1.18 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1gh8 h LEU 19 CO 1.19 -0.07 -0.58 1.05 -0.34 0.00 0.00 178.44 179.69 1gh8 h GLU 20 N -0.31 0.40 -0.32 1.25 4.11 -1.99 -0.14 114.58 117.58 1gh8 h GLU 20 Ca -0.02 -0.26 -0.11 0.00 0.07 0.00 0.00 59.36 59.03 1gh8 h GLU 20 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1gh8 h GLU 20 CO 0.04 0.86 -0.26 0.00 0.07 0.00 0.00 179.01 179.73 1gh8 h ALA 21 N 1.08 0.96 -0.33 1.06 0.00 -1.94 -1.97 119.26 118.11 1gh8 h ALA 21 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1gh8 h ALA 21 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1gh8 h ALA 21 CO 0.10 0.61 -0.06 1.25 0.00 0.00 0.00 179.25 181.15 1gh8 h LEU 22 N 0.55 0.52 -0.37 0.00 5.85 -0.26 -2.20 115.31 119.40 1gh8 h LEU 22 Ca 0.08 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1gh8 h LEU 22 Cb 0.73 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1gh8 h LEU 22 CO 0.06 0.63 0.08 0.11 -0.34 0.00 0.00 178.44 178.97 1gh8 h LYS 23 N 0.51 0.20 -0.39 1.25 6.56 -0.27 0.38 116.57 124.81 1gh8 h LYS 23 Ca 0.10 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 1gh8 h LYS 23 Cb 0.42 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 1gh8 h LYS 23 CO 0.02 0.13 0.06 0.87 -2.06 0.00 0.00 179.45 178.47 1gh8 h LYS 24 N 0.20 0.66 0.00 3.15 1.57 -1.13 -2.66 116.57 118.36 1gh8 h LYS 24 Ca 0.18 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1gh8 h LYS 24 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1gh8 h LYS 24 CO -0.23 0.71 -0.28 0.93 -0.57 0.00 0.00 179.45 180.02 1gh8 h GLU 25 N 0.50 0.00 -0.23 3.15 4.39 -0.85 -2.94 114.58 118.59 1gh8 h GLU 25 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1gh8 h GLU 25 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1gh8 h GLU 25 CO 0.01 0.28 0.13 0.82 -1.16 0.00 0.00 179.01 179.09 1gh8 h ILE 26 N 0.00 1.11 -0.26 3.13 2.04 0.10 -0.80 117.51 122.82 1gh8 h ILE 26 Ca -0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1gh8 h ILE 26 Cb 0.53 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1gh8 h ILE 26 CO 0.04 0.11 -0.02 1.56 0.00 0.00 0.00 178.15 179.83 1gh8 h GLN 27 N 0.27 0.39 0.00 2.37 1.08 -1.36 -0.07 115.11 117.80 1gh8 h GLN 27 Ca 0.08 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1gh8 h GLN 27 Cb 0.05 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1gh8 h GLN 27 CO -0.01 0.44 -0.27 0.93 -0.95 0.00 0.00 178.83 178.97 1gh8 h GLU 28 N 0.38 0.00 0.00 1.46 5.08 -1.41 -3.07 114.58 117.03 1gh8 h GLU 28 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1gh8 h GLU 28 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1gh8 h GLU 28 CO 0.01 0.27 -0.87 2.89 -1.00 0.00 0.00 179.01 180.31 1gh8 n ARG 29 N -3.29 0.29 -1.76 2.33 1.85 -0.34 -4.94 116.66 110.80 1gh8 n ARG 29 Ca 0.01 0.03 -0.41 0.00 -1.00 0.00 0.00 57.85 56.49 1gh8 n ARG 29 Cb 0.53 -1.63 0.01 0.00 -1.05 0.00 0.00 32.46 30.32 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 -2.01 2.36 -1.54 8.89 2.08 -0.12 -4.76 119.36 124.25 1gh8 n ILE 30 Ca 0.02 -0.50 -0.51 0.00 0.56 0.00 0.00 62.75 62.32 1gh8 n ILE 30 Cb 0.44 -1.87 -0.07 0.00 -0.75 0.00 0.00 39.64 37.39 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 0.17 1.29 0.00 0.38 -0.04 -1.26 -4.79 135.00 130.75 1gh8 n PRO 31 Ca 0.03 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1gh8 n PRO 31 Cb 0.40 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 7.43 0.00 0.08 0.54 1.02 -1.26 -2.16 120.64 126.29 1gh8 n GLU 32 Ca 0.35 0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 57.38 1gh8 n GLU 32 Cb 0.22 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.37 0.00 0.62 0.00 -1.83 -3.47 103.07 98.75 1gh8 h GLY 33 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1gh8 h GLY 33 CO 0.00 0.82 0.00 2.41 0.00 0.00 0.00 176.54 179.77 1gh8 n THR 34 N -3.53 0.00 -4.22 4.70 -1.04 -0.92 -4.72 114.28 104.55 1gh8 n THR 34 Ca -0.16 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.72 1gh8 n THR 34 Cb 1.05 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.46 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 4.91 1.12 0.55 -2.82 2.02 -1.26 -4.90 118.70 118.32 1gh8 s GLU 35 Ca 0.00 -1.55 -0.09 0.00 0.02 0.00 0.00 54.97 53.34 1gh8 s GLU 35 Cb 0.00 -0.08 0.13 0.00 0.10 0.00 0.00 34.13 34.29 1gh8 s GLU 35 CO 0.00 -0.22 0.64 1.47 0.02 0.00 0.00 175.26 177.17 1gh8 n LEU 36 N -0.24 0.00 0.00 1.80 -0.00 -1.26 -2.20 117.00 115.10 1gh8 n LEU 36 Ca -0.04 -0.69 0.00 0.00 -0.00 0.00 0.00 56.01 55.28 1gh8 n LEU 36 Cb 0.64 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 1gh8 n LEU 36 CO 0.33 -1.22 0.00 1.57 -0.00 0.00 0.00 177.39 178.07 1gh8 n HIS 37 N -3.24 0.00 -3.64 1.47 -0.00 0.18 -3.21 115.22 106.78 1gh8 n HIS 37 Ca 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.74 1gh8 n HIS 37 Cb 0.30 0.09 -0.07 0.00 -0.00 0.00 0.00 29.99 30.31 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 -0.32 0.55 0.29 1.57 2.47 -1.22 -4.97 119.74 118.11 1gh8 s LYS 38 Ca 0.00 0.86 -0.02 0.00 -1.56 0.00 0.00 55.97 55.25 1gh8 s LYS 38 Cb 0.00 0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1gh8 s LYS 38 CO 0.00 -0.10 0.52 0.42 0.16 0.00 0.00 175.35 176.35 1gh8 s ILE 39 N 1.15 5.08 -0.17 5.43 1.01 -1.25 -1.95 121.20 130.50 1gh8 s ILE 39 Ca -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1gh8 s ILE 39 Cb -0.04 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1gh8 s ILE 39 CO -0.13 -0.36 -0.16 -1.81 0.00 0.00 0.00 174.94 172.47 1gh8 s ASP 40 N -3.42 2.96 -1.36 3.58 1.01 -0.29 -4.85 116.67 114.32 1gh8 s ASP 40 Ca 0.42 -0.61 -0.14 0.00 0.71 0.00 0.00 52.55 52.93 1gh8 s ASP 40 Cb -0.10 -1.30 0.09 0.00 1.01 0.00 0.00 42.92 42.61 1gh8 s ASP 40 CO 0.32 -0.05 1.95 -1.84 0.21 0.00 0.00 175.17 175.76 1gh8 n GLU 41 N 4.70 3.16 -3.63 8.23 0.28 -1.26 -0.59 120.64 131.53 1gh8 n GLU 41 Ca -0.18 -3.10 -0.36 0.00 -0.16 0.00 0.00 57.16 53.35 1gh8 n GLU 41 Cb 0.49 -3.23 -0.07 0.00 1.43 0.00 0.00 31.44 30.07 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 2.61 4.06 0.43 3.44 2.02 0.43 -4.92 118.70 126.77 1gh8 s GLU 42 Ca 0.46 0.02 -0.11 0.00 0.02 0.00 0.00 54.97 55.37 1gh8 s GLU 42 Cb 0.09 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 1gh8 s GLU 42 CO -0.02 0.40 0.80 -1.25 0.02 0.00 0.00 175.26 175.21 1gh8 s PRO 43 N 0.01 3.78 0.00 0.39 0.04 -1.26 0.17 135.00 138.12 1gh8 s PRO 43 Ca 0.15 0.52 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 0.04 -0.09 0.00 -0.89 0.04 0.00 0.00 177.00 176.10 1gh8 n ILE 44 N -1.43 0.00 0.00 0.56 2.08 -0.14 -4.72 119.36 115.70 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 -0.26 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 -1.68 0.00 0.18 -1.39 0.00 -1.06 -4.88 120.51 111.69 1gh8 n ALA 45 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1gh8 n ALA 45 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.27 0.00 0.00 0.00 -1.00 -2.04 -3.38 116.94 110.25 1gh8 h PHE 46 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 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 0.39 0.00 0.41 -1.61 0.00 0.00 178.31 177.50 1gh8 n GLY 47 N 0.20 0.70 3.43 -1.45 0.00 -1.26 -5.06 105.19 101.76 1gh8 n GLY 47 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 4.93 -0.10 0.99 1.43 -1.26 -4.91 118.68 119.75 1gh8 s LEU 48 Ca 0.00 -1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 51.87 1gh8 s LEU 48 Cb 0.00 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 1gh8 s LEU 48 CO 0.00 -1.12 0.41 -0.69 0.23 0.00 0.00 176.35 175.19 1gh8 s VAL 49 N 3.06 5.19 0.20 -1.59 1.01 -1.26 -0.96 120.40 126.05 1gh8 s VAL 49 Ca 0.17 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 1gh8 s VAL 49 Cb -0.20 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1gh8 s VAL 49 CO 0.10 0.40 0.41 0.00 0.00 0.00 0.00 175.10 176.01 1gh8 s ALA 50 N 0.22 3.79 -0.19 5.51 0.00 0.44 -4.70 121.76 126.84 1gh8 s ALA 50 Ca 0.23 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 1gh8 s ALA 50 Cb -0.15 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 20.92 1gh8 s ALA 50 CO 0.09 0.45 -0.15 -0.51 0.00 0.00 0.00 175.76 175.64 1gh8 s LEU 51 N -3.24 2.38 -0.82 0.00 1.43 0.29 -0.43 118.68 118.29 1gh8 s LEU 51 Ca 0.40 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 1gh8 s LEU 51 Cb -0.11 -1.56 0.11 0.00 0.03 0.00 0.00 46.19 44.66 1gh8 s LEU 51 CO 0.28 0.01 1.03 0.20 0.23 0.00 0.00 176.35 178.11 1gh8 s ASN 52 N 1.27 6.45 -0.56 2.29 0.02 0.24 -1.55 114.94 123.10 1gh8 s ASN 52 Ca 0.04 -1.69 -0.24 0.00 -1.02 0.00 0.00 52.86 49.95 1gh8 s ASN 52 Cb -0.14 -2.39 0.04 0.00 0.02 0.00 0.00 41.25 38.78 1gh8 s ASN 52 CO -0.08 -1.17 0.96 -0.69 0.02 0.00 0.00 177.10 176.13 1gh8 s VAL 53 N 3.06 4.36 0.51 1.60 1.01 0.64 -1.13 120.40 130.44 1gh8 s VAL 53 Ca 0.27 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 1gh8 s VAL 53 Cb -0.10 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1gh8 s VAL 53 CO -0.02 -1.14 0.82 -0.04 0.00 0.00 0.00 175.10 174.71 1gh8 s MET 54 N 4.02 3.48 0.00 2.72 -1.94 -0.82 -1.30 119.30 125.46 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 -2.34 -0.00 0.00 2.01 0.00 0.00 34.83 34.38 1gh8 s MET 54 CO 0.19 -0.29 -0.01 0.14 -0.01 0.00 0.00 175.02 175.04 1gh8 s VAL 55 N -2.81 0.10 -0.61 -6.03 -7.23 0.04 0.50 120.40 104.36 1gh8 s VAL 55 Ca 0.49 -0.12 -0.20 0.00 -1.81 0.00 0.00 61.98 60.34 1gh8 s VAL 55 Cb -0.10 -0.11 0.09 0.00 0.56 0.00 0.00 36.38 36.82 1gh8 s VAL 55 CO 0.46 -0.01 0.79 -0.69 -0.31 0.00 0.00 175.10 175.34 1gh8 s VAL 56 N -0.13 4.65 -0.01 1.32 1.01 -0.93 -2.04 120.40 124.26 1gh8 s VAL 56 Ca -0.01 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1gh8 s VAL 56 Cb -0.01 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 1gh8 s VAL 56 CO -0.00 -1.24 -0.12 0.68 0.00 0.00 0.00 175.10 174.42 1gh8 s VAL 57 N 3.15 0.97 0.03 2.92 -7.23 -0.15 -4.23 120.40 115.87 1gh8 s VAL 57 Ca 0.15 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 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 0.08 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 1gh8 n GLY 58 N 2.88 -1.58 0.04 2.32 0.00 -1.26 -0.76 105.19 106.83 1gh8 n GLY 58 Ca -0.15 0.62 0.15 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.79 0.19 0.00 1.61 9.92 -1.26 -4.77 116.55 119.45 1gh8 n ASP 59 Ca 0.00 -0.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 1gh8 n ASP 59 Cb 0.00 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 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 -1.16 0.00 -3.00 2.24 0.00 -1.26 -5.11 120.51 112.22 1gh8 n ALA 60 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1gh8 n ALA 60 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.67 0.04 -1.84 0.00 -1.26 -3.68 105.19 97.78 1gh8 n GLY 62 Ca 0.00 -0.01 0.08 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 0.46 -1.09 0.00 -0.02 0.00 -1.26 -2.12 105.19 101.16 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 -1.71 0.24 0.20 2.61 -2.24 -1.24 -2.82 114.28 109.32 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 0.19 -0.70 0.82 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.32 -0.78 4.11 -1.75 0.37 114.58 116.21 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 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1gh8 h GLU 65 CO 0.00 0.00 0.27 0.00 0.07 0.00 0.00 179.01 179.35 1gh8 h ALA 66 N 1.56 2.16 0.74 1.06 0.00 -1.81 -1.94 119.26 121.03 1gh8 h ALA 66 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1gh8 h ALA 66 Cb 0.74 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1gh8 h ALA 66 CO -0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 179.25 178.46 1gh8 h ALA 67 N 1.77 -0.99 -0.47 0.00 0.00 -1.20 0.86 119.26 119.22 1gh8 h ALA 67 Ca 0.15 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1gh8 h ALA 67 Cb 0.69 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1gh8 h ALA 67 CO -0.00 -1.03 0.31 0.93 0.00 0.00 0.00 179.25 179.46 1gh8 h GLU 68 N -1.04 0.51 0.21 0.00 4.39 -1.57 -0.86 114.58 116.23 1gh8 h GLU 68 Ca -0.10 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1gh8 h GLU 68 Cb 0.77 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1gh8 h GLU 68 CO 0.17 0.34 -0.10 1.49 -1.16 0.00 0.00 179.01 179.74 1gh8 h GLU 69 N 0.53 -0.27 0.00 2.33 4.81 -0.90 -1.87 114.58 119.20 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 0.11 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1gh8 h GLU 69 CO -0.05 -0.15 -0.01 1.03 -0.73 0.00 0.00 179.01 179.11 1gh8 h SER 70 N -0.33 0.00 0.89 1.04 0.87 -0.18 -1.55 113.55 114.29 1gh8 h SER 70 Ca -0.03 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1gh8 h SER 70 Cb 0.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1gh8 h SER 70 CO 0.05 0.01 -0.39 -0.07 -0.53 0.00 0.00 176.83 175.89 1gh8 h LEU 71 N 0.00 0.00 -1.62 2.23 -0.00 -0.35 0.67 115.31 116.24 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1gh8 h LEU 71 CO 0.00 0.39 0.00 0.77 -0.00 0.00 0.00 178.44 179.60 1gh8 h SER 72 N 0.00 0.00 -0.03 -0.43 4.64 -0.95 -3.13 113.55 113.64 1gh8 h SER 72 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1gh8 h SER 72 Cb 0.94 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.79 1gh8 h SER 72 CO 0.05 0.00 -0.61 0.61 -0.87 0.00 0.00 176.83 176.01 1gh8 n GLY 73 N -0.65 0.93 0.00 -0.77 0.00 -0.99 -5.13 105.19 98.58 1gh8 n GLY 73 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 0.00 -1.50 -0.61 3.06 0.23 -4.73 119.36 115.78 1gh8 n ILE 74 Ca -0.12 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 59.97 1gh8 n ILE 74 Cb 0.88 -1.31 -0.12 0.00 0.54 0.00 0.00 39.64 39.63 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 -0.25 0.27 0.28 9.51 0.28 -1.26 -4.72 120.64 124.76 1gh8 n GLU 75 Ca 0.00 -0.59 0.13 0.00 -0.16 0.00 0.00 57.16 56.54 1gh8 n GLU 75 Cb 0.00 -2.59 0.83 0.00 1.43 0.00 0.00 31.44 31.11 1gh8 n GLU 75 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1gh8 h GLY 76 N 17.60 0.00 1.20 -1.84 0.00 -1.97 -1.85 103.07 116.21 1gh8 h GLY 76 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.04 1gh8 h GLY 76 CO 1.22 0.00 -1.56 -0.24 0.00 0.00 0.00 176.54 175.96 1gh8 h VAL 77 N 0.00 1.10 -3.23 4.60 3.04 -1.94 -3.41 116.25 116.41 1gh8 h VAL 77 Ca -0.00 -2.79 -0.75 0.00 -1.01 0.00 0.00 66.70 62.15 1gh8 h VAL 77 Cb 0.02 2.69 -0.22 0.00 -2.01 0.00 0.00 31.29 31.76 1gh8 h VAL 77 CO 0.00 0.78 0.41 -0.44 -1.01 0.00 0.00 177.57 177.31 1gh8 s SER 78 N -6.81 6.71 0.03 3.17 0.01 -0.70 -0.37 113.70 115.74 1gh8 s SER 78 Ca -0.09 -2.42 -0.30 0.00 1.31 0.00 0.00 55.95 54.45 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 -0.78 1.24 0.21 0.41 0.00 0.00 173.24 175.16 1gh8 s ASN 79 N 2.78 7.02 0.05 2.44 3.04 -0.85 -4.31 114.94 125.10 1gh8 s ASN 79 Ca 0.24 2.02 0.00 0.00 0.04 0.00 0.00 52.86 55.16 1gh8 s ASN 79 Cb -0.08 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.02 1gh8 s ASN 79 CO -0.09 -0.54 0.18 -0.63 -3.04 0.00 0.00 177.10 172.97 1gh8 s ILE 80 N 1.48 5.22 -1.33 -5.21 1.09 -1.26 -2.95 121.20 118.23 1gh8 s ILE 80 Ca 0.59 -0.43 -0.12 0.00 -1.10 0.00 0.00 60.65 59.60 1gh8 s ILE 80 Cb -0.29 -3.52 0.12 0.00 -1.06 0.00 0.00 42.46 37.71 1gh8 s ILE 80 CO 0.27 0.17 1.93 1.21 -0.10 0.00 0.00 174.94 178.43 1gh8 n GLU 81 N 0.44 3.31 -0.92 2.79 4.07 0.99 -4.81 120.64 126.52 1gh8 n GLU 81 Ca -0.07 -3.24 -0.10 0.00 -0.06 0.00 0.00 57.16 53.69 1gh8 n GLU 81 Cb 0.51 -3.10 -0.14 0.00 -0.06 0.00 0.00 31.44 28.65 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 4.28 2.82 -0.65 6.31 0.31 -1.26 -3.33 118.33 126.80 1gh8 n VAL 82 Ca 0.44 -1.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 1gh8 n VAL 82 Cb 0.39 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 2.37 0.25 -3.05 2.52 -1.04 -1.26 -5.06 114.28 109.00 1gh8 n THR 83 Ca 0.36 -0.30 -0.39 0.00 -2.04 0.00 0.00 64.05 61.68 1gh8 n THR 83 Cb 0.85 1.05 -0.06 0.00 -1.82 0.00 0.00 70.33 70.36 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 7.23 0.20 8.00 -1.08 -1.16 -5.02 116.67 124.59 1gh8 s ASP 84 Ca 0.00 1.46 -0.09 0.00 -0.52 0.00 0.00 52.55 53.40 1gh8 s ASP 84 Cb 0.00 -2.45 -0.01 0.00 -1.46 0.00 0.00 42.92 39.00 1gh8 s ASP 84 CO 0.00 0.14 0.34 0.54 0.52 0.00 0.00 175.17 176.71 1gh8 s VAL 85 N -0.63 0.03 -0.23 1.11 0.11 -1.26 -0.75 120.40 118.77 1gh8 s VAL 85 Ca 0.35 -1.48 -0.03 0.00 -2.93 0.00 0.00 61.98 57.89 1gh8 s VAL 85 Cb -0.21 -2.09 0.11 0.00 -1.53 0.00 0.00 36.38 32.66 1gh8 s VAL 85 CO 0.23 -0.12 0.28 -0.13 -3.33 0.00 0.00 175.10 172.02 1gh8 s ARG 86 N -4.02 0.26 -1.28 1.54 1.81 0.41 -4.86 118.95 112.82 1gh8 s ARG 86 Ca 0.23 0.20 -0.17 0.00 -1.72 0.00 0.00 55.73 54.27 1gh8 s ARG 86 Cb 0.02 -0.90 0.10 0.00 -0.45 0.00 0.00 34.95 33.72 1gh8 s ARG 86 CO 0.06 -0.74 1.67 0.54 -0.68 0.00 0.00 175.30 176.14 1gh8 n ARG 87 N 5.33 3.24 -2.63 3.54 5.12 -1.26 -0.89 116.66 129.11 1gh8 n ARG 87 Ca -0.04 -3.43 -0.42 0.00 -1.93 0.00 0.00 57.85 52.03 1gh8 n ARG 87 Cb 0.49 -3.36 -0.02 0.00 -1.16 0.00 0.00 32.46 28.41 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 3.42 3.86 0.00 0.55 1.02 -0.93 -4.95 118.68 121.65 1gh8 s LEU 88 Ca 0.51 -1.91 0.27 0.00 0.02 0.00 0.00 54.13 53.02 1gh8 s LEU 88 Cb 0.02 -2.54 0.89 0.00 0.02 0.00 0.00 46.19 44.58 1gh8 s LEU 88 CO 0.06 -1.31 1.66 0.23 0.02 0.00 0.00 176.35 177.00