#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 3.81 -5.12 0.00 0.15 -4.64 105.19 99.40 1gh8 n GLY 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 7.06 -0.47 1.61 -4.77 0.50 -4.65 116.67 115.95 1gh8 s ASP 3 Ca 0.00 1.27 -0.17 0.00 -3.30 0.00 0.00 52.55 50.35 1gh8 s ASP 3 Cb 0.00 -2.36 0.05 0.00 -1.09 0.00 0.00 42.92 39.52 1gh8 s ASP 3 CO 0.00 0.24 0.49 -0.69 0.70 0.00 0.00 175.17 175.91 1gh8 s VAL 4 N -1.17 5.06 -0.36 2.11 1.01 -0.18 -2.13 120.40 124.73 1gh8 s VAL 4 Ca 0.31 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1gh8 s VAL 4 Cb -0.19 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1gh8 s VAL 4 CO 0.20 -0.60 0.19 -0.69 0.00 0.00 0.00 175.10 174.19 1gh8 s VAL 5 N 2.16 4.51 0.36 2.92 1.01 0.30 -2.29 120.40 129.37 1gh8 s VAL 5 Ca 0.11 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1gh8 s VAL 5 Cb -0.20 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1gh8 s VAL 5 CO 0.11 -0.20 0.47 0.00 0.00 0.00 0.00 175.10 175.48 1gh8 s ALA 6 N 1.55 4.26 -0.07 5.51 0.00 -1.01 0.38 121.76 132.39 1gh8 s ALA 6 Ca 0.02 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 1gh8 s ALA 6 Cb -0.19 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.41 1gh8 s ALA 6 CO 0.06 -0.11 0.14 0.99 0.00 0.00 0.00 175.76 176.84 1gh8 s THR 7 N -2.26 -0.07 -0.27 0.00 2.01 0.18 -1.15 115.64 114.09 1gh8 s THR 7 Ca 0.48 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.70 1gh8 s THR 7 Cb -0.09 -0.24 0.07 0.00 0.01 0.00 0.00 72.50 72.25 1gh8 s THR 7 CO 0.31 0.08 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.63 1gh8 s ILE 8 N 1.27 1.97 -0.72 1.82 -1.09 -0.77 -3.14 121.20 120.54 1gh8 s ILE 8 Ca -0.08 -1.64 -0.16 0.00 -2.23 0.00 0.00 60.65 56.54 1gh8 s ILE 8 Cb -0.12 -2.20 0.16 0.00 -1.58 0.00 0.00 42.46 38.72 1gh8 s ILE 8 CO -0.06 -0.17 0.75 -0.54 -1.23 0.00 0.00 174.94 173.69 1gh8 s LYS 9 N 1.16 3.34 -0.03 2.79 -0.14 -1.22 -0.22 119.74 125.42 1gh8 s LYS 9 Ca -0.04 -1.93 -0.15 0.00 -1.36 0.00 0.00 55.97 52.49 1gh8 s LYS 9 Cb -0.19 -4.43 -0.05 0.00 -1.68 0.00 0.00 37.83 31.47 1gh8 s LYS 9 CO -0.06 -1.43 0.41 0.14 -0.76 0.00 0.00 175.35 173.64 1gh8 s VAL 10 N 1.43 5.08 -0.14 3.17 -7.23 -0.65 0.43 120.40 122.49 1gh8 s VAL 10 Ca 0.15 0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 61.10 1gh8 s VAL 10 Cb -0.17 -3.72 0.07 0.00 0.56 0.00 0.00 36.38 33.12 1gh8 s VAL 10 CO -0.03 0.53 0.28 0.00 -0.31 0.00 0.00 175.10 175.57 1gh8 s MET 11 N -0.72 0.17 -0.04 4.82 0.23 -1.13 -0.68 119.30 121.94 1gh8 s MET 11 Ca 0.23 0.75 -0.30 0.00 -1.03 0.00 0.00 55.69 55.35 1gh8 s MET 11 Cb -0.16 -0.05 -0.05 0.00 -1.53 0.00 0.00 34.83 33.04 1gh8 s MET 11 CO 0.12 -0.30 1.55 -2.14 -2.03 0.00 0.00 175.02 172.22 1gh8 s PRO 12 N 2.44 4.21 0.53 3.16 0.02 -1.26 -2.07 135.00 142.03 1gh8 s PRO 12 Ca 0.01 2.09 0.23 0.00 0.02 0.00 0.00 61.00 63.36 1gh8 s PRO 12 Cb -0.12 -3.81 1.38 0.00 0.02 0.00 0.00 34.50 31.97 1gh8 s PRO 12 CO -0.09 -0.75 2.04 0.93 -0.33 0.00 0.00 177.00 178.80 1gh8 h GLU 13 N 8.81 0.00 -7.10 5.54 4.39 -1.06 -3.43 114.58 121.74 1gh8 h GLU 13 Ca -0.38 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.86 1gh8 h GLU 13 Cb 1.17 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1gh8 h GLU 13 CO 0.94 0.00 0.37 -1.54 -1.16 0.00 0.00 179.01 177.62 1gh8 s SER 14 N -6.40 6.48 0.00 1.42 1.04 -1.26 -4.92 113.70 110.06 1gh8 s SER 14 Ca -0.05 1.80 0.12 0.00 0.48 0.00 0.00 55.95 58.30 1gh8 s SER 14 Cb 0.19 -2.54 0.58 0.00 0.10 0.00 0.00 66.02 64.34 1gh8 s SER 14 CO 0.70 -0.68 1.30 -0.81 0.98 0.00 0.00 173.24 174.72 1gh8 n PRO 15 N -1.08 0.14 -0.87 4.02 -0.04 -1.26 -2.62 135.00 133.28 1gh8 n PRO 15 Ca 0.08 0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 63.56 1gh8 n PRO 15 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.32 4.79 -4.57 3.54 8.00 -1.26 -4.88 116.55 120.86 1gh8 n ASP 16 Ca 0.05 -3.12 -0.23 0.00 0.71 0.00 0.00 54.79 52.20 1gh8 n ASP 16 Cb 0.10 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.30 1gh8 n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gh8 s VAL 17 N -2.46 3.34 -0.43 2.53 0.11 -1.08 -4.89 120.40 117.53 1gh8 s VAL 17 Ca 0.38 -0.38 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1gh8 s VAL 17 Cb 0.31 -3.92 -0.01 0.00 -1.53 0.00 0.00 36.38 31.22 1gh8 s VAL 17 CO 0.04 -0.69 1.73 -1.81 -3.33 0.00 0.00 175.10 171.04 1gh8 s ASP 18 N 8.33 5.81 0.07 3.54 1.01 -1.26 -4.80 116.67 129.37 1gh8 s ASP 18 Ca 0.75 0.91 -0.23 0.00 0.71 0.00 0.00 52.55 54.69 1gh8 s ASP 18 Cb -0.07 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.19 1gh8 s ASP 18 CO 0.05 -1.84 1.64 0.25 0.21 0.00 0.00 175.17 175.49 1gh8 h LEU 19 N 14.14 0.05 -0.62 1.23 6.46 -1.90 0.29 115.31 134.95 1gh8 h LEU 19 Ca -0.30 -0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 57.22 1gh8 h LEU 19 Cb 1.15 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1gh8 h LEU 19 CO 1.10 0.14 -0.31 -0.08 -0.62 0.00 0.00 178.44 178.67 1gh8 h GLU 20 N -0.05 0.75 -0.13 1.25 4.81 -2.00 -1.51 114.58 117.70 1gh8 h GLU 20 Ca 0.01 -0.34 -0.14 0.00 -0.13 0.00 0.00 59.36 58.76 1gh8 h GLU 20 Cb 0.11 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1gh8 h GLU 20 CO -0.00 0.96 -0.53 0.00 -0.73 0.00 0.00 179.01 178.70 1gh8 h ALA 21 N 1.02 0.85 -0.18 2.92 0.00 -1.94 -2.70 119.26 119.24 1gh8 h ALA 21 Ca 0.07 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1gh8 h ALA 21 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1gh8 h ALA 21 CO 0.07 0.68 -0.17 1.25 0.00 0.00 0.00 179.25 181.08 1gh8 h LEU 22 N 0.28 0.28 -0.59 0.00 5.85 -0.09 -2.51 115.31 118.53 1gh8 h LEU 22 Ca 0.01 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1gh8 h LEU 22 Cb 1.03 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1gh8 h LEU 22 CO 0.09 0.48 0.35 0.11 -0.34 0.00 0.00 178.44 179.13 1gh8 h LYS 23 N 0.27 0.67 -0.50 1.25 1.57 -0.94 0.41 116.57 119.31 1gh8 h LYS 23 Ca 0.05 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1gh8 h LYS 23 Cb 0.47 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1gh8 h LYS 23 CO 0.03 0.45 0.06 0.87 -0.57 0.00 0.00 179.45 180.28 1gh8 h LYS 24 N 0.69 0.84 -0.14 3.15 1.57 -1.41 -2.53 116.57 118.74 1gh8 h LYS 24 Ca 0.24 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1gh8 h LYS 24 Cb 0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1gh8 h LYS 24 CO -0.11 0.85 -0.21 0.93 -0.57 0.00 0.00 179.45 180.33 1gh8 h GLU 25 N 0.71 0.23 -0.54 3.15 5.08 -0.97 -2.77 114.58 119.47 1gh8 h GLU 25 Ca 0.15 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1gh8 h GLU 25 Cb 0.43 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1gh8 h GLU 25 CO 0.01 0.44 0.32 0.82 -1.00 0.00 0.00 179.01 179.61 1gh8 h ILE 26 N 0.22 1.16 -0.97 3.13 2.04 0.21 0.03 117.51 123.32 1gh8 h ILE 26 Ca 0.04 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1gh8 h ILE 26 Cb 0.50 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1gh8 h ILE 26 CO 0.03 0.17 0.65 1.56 0.00 0.00 0.00 178.15 180.56 1gh8 h GLN 27 N 0.72 1.28 0.00 2.37 1.08 -1.19 0.59 115.11 119.96 1gh8 h GLN 27 Ca 0.19 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.25 1gh8 h GLN 27 Cb -0.01 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.12 1gh8 h GLN 27 CO -0.04 0.85 -0.32 0.93 -0.95 0.00 0.00 178.83 179.30 1gh8 h GLU 28 N 1.32 0.00 0.00 1.46 5.08 -1.34 -3.12 114.58 117.98 1gh8 h GLU 28 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1gh8 h GLU 28 Cb -0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1gh8 h GLU 28 CO -0.08 0.32 -0.78 2.89 -1.00 0.00 0.00 179.01 180.36 1gh8 n ARG 29 N -3.34 0.25 -1.73 2.33 1.85 -0.05 -4.93 116.66 111.03 1gh8 n ARG 29 Ca 0.01 0.04 -0.42 0.00 -1.00 0.00 0.00 57.85 56.47 1gh8 n ARG 29 Cb 0.54 -1.62 -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 -1.96 1.56 -1.69 8.89 2.08 0.11 -4.75 119.36 123.60 1gh8 n ILE 30 Ca 0.03 -0.39 -0.61 0.00 0.56 0.00 0.00 62.75 62.35 1gh8 n ILE 30 Cb 0.42 -1.82 -0.08 0.00 -0.75 0.00 0.00 39.64 37.41 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 1.21 0.74 0.00 0.38 -0.04 -1.26 -4.76 135.00 131.27 1gh8 n PRO 31 Ca 0.06 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1gh8 n PRO 31 Cb 0.37 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 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 5.22 0.00 0.01 0.54 1.02 -1.26 -1.91 120.64 124.27 1gh8 n GLU 32 Ca 0.30 0.20 -0.20 0.00 -0.02 0.00 0.00 57.16 57.44 1gh8 n GLU 32 Cb 0.07 -1.53 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.26 0.00 0.62 0.00 -1.69 -3.47 103.07 98.79 1gh8 h GLY 33 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1gh8 h GLY 33 CO 0.00 0.58 0.00 2.41 0.00 0.00 0.00 176.54 179.53 1gh8 n THR 34 N -4.12 0.00 -4.28 4.70 -1.04 -0.80 -4.75 114.28 103.98 1gh8 n THR 34 Ca -0.19 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.65 1gh8 n THR 34 Cb 0.81 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.23 1gh8 n THR 34 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1gh8 s GLU 35 N 4.34 1.57 0.64 -2.82 -1.05 -1.26 -4.73 118.70 115.39 1gh8 s GLU 35 Ca 0.00 -1.89 -0.11 0.00 -0.15 0.00 0.00 54.97 52.82 1gh8 s GLU 35 Cb 0.00 0.18 0.15 0.00 -0.44 0.00 0.00 34.13 34.03 1gh8 s GLU 35 CO 0.00 -0.53 0.70 1.47 0.95 0.00 0.00 175.26 177.85 1gh8 n LEU 36 N -0.53 0.00 0.01 1.83 -0.00 -1.26 -3.51 117.00 113.55 1gh8 n LEU 36 Ca 0.04 -0.76 0.00 0.00 -0.00 0.00 0.00 56.01 55.29 1gh8 n LEU 36 Cb 0.64 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1gh8 n LEU 36 CO 0.33 -1.38 0.00 1.57 -0.00 0.00 0.00 177.39 177.91 1gh8 n HIS 37 N -3.49 -0.17 -3.65 1.47 -0.00 0.29 -3.35 115.22 106.32 1gh8 n HIS 37 Ca 0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 57.72 57.82 1gh8 n HIS 37 Cb 0.34 0.29 -0.05 0.00 -0.00 0.00 0.00 29.99 30.57 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 -1.11 0.57 0.35 1.57 -0.14 -1.24 -4.94 119.74 114.80 1gh8 s LYS 38 Ca 0.00 1.40 -0.03 0.00 -1.36 0.00 0.00 55.97 55.97 1gh8 s LYS 38 Cb 0.00 0.74 -0.04 0.00 -1.68 0.00 0.00 37.83 36.85 1gh8 s LYS 38 CO 0.00 -0.20 0.61 0.42 -0.76 0.00 0.00 175.35 175.42 1gh8 s ILE 39 N 2.72 5.02 -0.11 2.17 1.01 -1.25 -2.41 121.20 128.35 1gh8 s ILE 39 Ca -0.06 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1gh8 s ILE 39 Cb -0.11 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1gh8 s ILE 39 CO -0.19 -0.51 -0.11 -0.62 0.00 0.00 0.00 174.94 173.51 1gh8 s ASP 40 N -3.64 2.21 -1.35 3.58 2.15 -0.67 -4.85 116.67 114.10 1gh8 s ASP 40 Ca 0.44 -0.36 -0.12 0.00 0.43 0.00 0.00 52.55 52.94 1gh8 s ASP 40 Cb -0.10 -0.94 0.11 0.00 -0.30 0.00 0.00 42.92 41.69 1gh8 s ASP 40 CO 0.35 -0.04 2.00 -0.62 -0.17 0.00 0.00 175.17 176.69 1gh8 n GLU 41 N 4.48 3.28 -3.68 4.34 1.02 -1.26 -1.11 120.64 127.71 1gh8 n GLU 41 Ca -0.17 -3.15 -0.37 0.00 -0.02 0.00 0.00 57.16 53.46 1gh8 n GLU 41 Cb 0.51 -3.10 -0.07 0.00 -0.02 0.00 0.00 31.44 28.76 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 1.71 3.89 0.45 3.49 2.02 -0.23 -4.92 118.70 125.11 1gh8 s GLU 42 Ca 0.43 0.04 -0.08 0.00 0.02 0.00 0.00 54.97 55.39 1gh8 s GLU 42 Cb 0.11 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 1gh8 s GLU 42 CO -0.03 0.54 0.78 -1.25 0.02 0.00 0.00 175.26 175.32 1gh8 s PRO 43 N -0.41 3.64 0.00 0.39 0.04 -1.26 0.14 135.00 137.54 1gh8 s PRO 43 Ca 0.16 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1gh8 s PRO 43 Cb -0.13 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1gh8 s PRO 43 CO 0.05 -0.14 0.00 -0.89 0.04 0.00 0.00 177.00 176.06 1gh8 n ILE 44 N -1.86 0.00 0.00 0.56 2.08 0.16 -4.74 119.36 115.56 1gh8 n ILE 44 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1gh8 n ILE 44 Cb 0.55 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 -1.65 0.00 0.08 -1.39 0.00 -1.14 -4.88 120.51 111.52 1gh8 n ALA 45 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1gh8 n ALA 45 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 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 0.32 0.00 0.00 -0.00 -2.03 -3.38 116.94 111.85 1gh8 h PHE 46 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.97 57.86 1gh8 h PHE 46 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 35.89 1gh8 h PHE 46 CO 0.00 0.73 0.00 0.41 -0.00 0.00 0.00 178.31 179.45 1gh8 n GLY 47 N 0.09 -0.31 3.44 6.09 0.00 -1.26 -5.05 105.19 108.18 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 4.75 -0.14 0.99 1.43 -1.26 -4.93 118.68 119.51 1gh8 s LEU 48 Ca 0.00 -1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 51.89 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 -1.23 0.43 -0.69 0.23 0.00 0.00 176.35 175.09 1gh8 s VAL 49 N 3.40 5.21 0.26 -1.59 1.01 -1.26 -0.67 120.40 126.76 1gh8 s VAL 49 Ca 0.19 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 1gh8 s VAL 49 Cb -0.19 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1gh8 s VAL 49 CO 0.10 0.32 0.46 0.00 0.00 0.00 0.00 175.10 175.98 1gh8 s ALA 50 N 0.76 3.77 -0.20 5.51 0.00 0.38 -4.75 121.76 127.22 1gh8 s ALA 50 Ca 0.23 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 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 0.25 -0.12 -0.51 0.00 0.00 0.00 175.76 175.47 1gh8 s LEU 51 N -3.70 2.53 -0.90 0.00 1.02 0.15 -1.07 118.68 116.71 1gh8 s LEU 51 Ca 0.39 -0.52 -0.19 0.00 0.02 0.00 0.00 54.13 53.84 1gh8 s LEU 51 Cb -0.10 -1.62 0.13 0.00 0.02 0.00 0.00 46.19 44.62 1gh8 s LEU 51 CO 0.31 -0.01 1.09 0.20 0.02 0.00 0.00 176.35 177.96 1gh8 s ASN 52 N 1.39 6.59 -0.62 2.29 0.02 -0.27 -1.63 114.94 122.71 1gh8 s ASN 52 Ca 0.05 -1.97 -0.23 0.00 -1.02 0.00 0.00 52.86 49.69 1gh8 s ASN 52 Cb -0.14 -2.39 0.06 0.00 0.02 0.00 0.00 41.25 38.80 1gh8 s ASN 52 CO -0.08 -1.08 0.95 -0.69 0.02 0.00 0.00 177.10 176.23 1gh8 s VAL 53 N 2.72 4.34 0.66 1.60 1.01 0.69 -1.67 120.40 129.76 1gh8 s VAL 53 Ca 0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1gh8 s VAL 53 Cb -0.06 -4.62 0.03 0.00 0.00 0.00 0.00 36.38 31.73 1gh8 s VAL 53 CO -0.08 -1.32 0.99 -0.04 0.00 0.00 0.00 175.10 174.65 1gh8 s MET 54 N 4.03 2.59 -0.03 2.72 -1.94 -1.01 -1.84 119.30 123.81 1gh8 s MET 54 Ca 0.25 -0.02 -0.00 0.00 -1.71 0.00 0.00 55.69 54.21 1gh8 s MET 54 Cb -0.15 -2.18 0.03 0.00 2.01 0.00 0.00 34.83 34.54 1gh8 s MET 54 CO 0.14 -1.00 0.02 0.14 -0.01 0.00 0.00 175.02 174.31 1gh8 s VAL 55 N -3.18 0.06 -0.46 -6.03 -7.23 -0.30 0.10 120.40 103.37 1gh8 s VAL 55 Ca 0.57 0.21 -0.16 0.00 -1.81 0.00 0.00 61.98 60.80 1gh8 s VAL 55 Cb -0.11 -0.21 0.05 0.00 0.56 0.00 0.00 36.38 36.67 1gh8 s VAL 55 CO 0.46 0.15 0.40 0.54 -0.31 0.00 0.00 175.10 176.34 1gh8 s VAL 56 N 1.42 5.19 0.31 1.32 0.11 -1.21 -2.41 120.40 125.13 1gh8 s VAL 56 Ca -0.04 -0.84 0.06 0.00 -2.93 0.00 0.00 61.98 58.23 1gh8 s VAL 56 Cb -0.13 -4.09 -0.06 0.00 -1.53 0.00 0.00 36.38 30.57 1gh8 s VAL 56 CO -0.03 -0.52 -0.03 0.68 -3.33 0.00 0.00 175.10 171.87 1gh8 s VAL 57 N 1.81 1.64 0.03 2.04 -7.23 -0.97 -4.62 120.40 113.10 1gh8 s VAL 57 Ca 0.06 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1gh8 s VAL 57 Cb -0.22 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1gh8 s VAL 57 CO 0.09 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1gh8 n GLY 58 N -0.67 -1.80 0.01 2.32 0.00 -1.26 -1.01 105.19 102.78 1gh8 n GLY 58 Ca -0.05 0.64 0.15 0.00 0.00 0.00 0.00 46.02 46.76 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 -2.36 0.04 -2.73 1.61 2.03 -1.26 -4.78 116.55 109.09 1gh8 n ASP 59 Ca 0.00 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1gh8 n ASP 59 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -1.27 0.00 -3.00 -1.67 0.00 -1.26 -5.11 120.51 108.20 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 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -5.00 120.64 114.63 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 0.13 0.00 -1.84 0.00 -1.26 -3.82 105.19 98.41 1gh8 n GLY 62 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 0.33 -0.71 0.00 -0.02 0.00 -1.26 -2.25 105.19 101.29 1gh8 n GLY 63 Ca 0.01 -0.08 0.10 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 -1.21 0.42 0.24 2.61 -2.24 -1.25 -1.98 114.28 110.87 1gh8 n THR 64 Ca 0.08 0.10 0.18 0.00 -2.27 0.00 0.00 64.05 62.15 1gh8 n THR 64 Cb 0.10 -0.75 0.88 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 -0.12 -0.78 4.11 -1.79 0.07 114.58 116.06 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 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 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 1.66 1.64 0.57 1.06 0.00 -1.80 -1.97 119.26 120.42 1gh8 h ALA 66 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gh8 h ALA 66 Cb 0.53 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1gh8 h ALA 66 CO -0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 179.25 178.75 1gh8 h ALA 67 N 1.79 -0.77 -0.54 0.00 0.00 -1.25 0.12 119.26 118.61 1gh8 h ALA 67 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1gh8 h ALA 67 Cb 0.38 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1gh8 h ALA 67 CO -0.00 -0.90 0.36 0.93 0.00 0.00 0.00 179.25 179.63 1gh8 h GLU 68 N -0.82 0.63 0.09 0.00 5.08 -1.56 -1.11 114.58 116.89 1gh8 h GLU 68 Ca -0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1gh8 h GLU 68 Cb 0.61 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1gh8 h GLU 68 CO 0.13 0.42 -0.05 0.93 -1.00 0.00 0.00 179.01 179.44 1gh8 h GLU 69 N 0.65 -0.12 0.00 2.33 5.08 -0.96 -1.79 114.58 119.77 1gh8 h GLU 69 Ca 0.21 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1gh8 h GLU 69 Cb 0.04 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1gh8 h GLU 69 CO -0.05 -0.04 -0.02 0.66 -1.00 0.00 0.00 179.01 178.56 1gh8 h SER 70 N -0.17 0.00 0.76 1.42 4.64 -0.14 -1.63 113.55 118.42 1gh8 h SER 70 Ca -0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1gh8 h SER 70 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1gh8 h SER 70 CO 0.02 0.02 -0.45 -0.07 -0.87 0.00 0.00 176.83 175.48 1gh8 h LEU 71 N 0.00 0.00 -1.00 5.97 -0.00 -0.34 0.79 115.31 120.73 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 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1gh8 h LEU 71 CO 0.00 0.45 0.00 -1.54 -0.00 0.00 0.00 178.44 177.35 1gh8 n SER 72 N -3.63 0.57 -0.95 -0.43 3.41 -0.61 -3.06 113.62 108.91 1gh8 n SER 72 Ca -0.01 0.70 -0.01 0.00 -0.26 0.00 0.00 58.87 59.29 1gh8 n SER 72 Cb 0.54 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 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 -0.68 0.74 0.00 5.00 0.00 -0.96 -5.13 105.19 104.16 1gh8 n GLY 73 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.14 0.00 -1.54 -0.61 3.06 0.27 -4.75 119.36 115.93 1gh8 n ILE 74 Ca -0.09 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 59.99 1gh8 n ILE 74 Cb 0.78 -1.32 -0.13 0.00 0.54 0.00 0.00 39.64 39.51 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 -0.49 0.35 0.28 9.51 0.28 -1.26 -4.73 120.64 124.58 1gh8 n GLU 75 Ca 0.00 -0.51 0.16 0.00 -0.16 0.00 0.00 57.16 56.65 1gh8 n GLU 75 Cb 0.00 -2.65 0.92 0.00 1.43 0.00 0.00 31.44 31.14 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 18.08 0.00 1.03 -1.84 0.00 -1.96 -1.47 103.07 116.91 1gh8 h GLY 76 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.02 1gh8 h GLY 76 CO 1.25 0.00 -1.69 -0.24 0.00 0.00 0.00 176.54 175.86 1gh8 h VAL 77 N 0.00 0.96 -3.22 4.60 3.04 -1.95 -3.42 116.25 116.26 1gh8 h VAL 77 Ca 0.02 -2.66 -0.75 0.00 -1.01 0.00 0.00 66.70 62.31 1gh8 h VAL 77 Cb 0.13 2.63 -0.22 0.00 -2.01 0.00 0.00 31.29 31.82 1gh8 h VAL 77 CO -0.00 0.78 0.39 -0.44 -1.01 0.00 0.00 177.57 177.29 1gh8 s SER 78 N -6.83 6.69 0.06 3.17 0.01 -0.55 -0.34 113.70 115.91 1gh8 s SER 78 Ca -0.12 -2.39 -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 0.83 -0.79 1.16 0.21 0.41 0.00 0.00 173.24 175.06 1gh8 s ASN 79 N 2.80 7.13 0.05 2.44 3.04 -0.88 -4.38 114.94 125.14 1gh8 s ASN 79 Ca 0.24 1.97 -0.00 0.00 0.04 0.00 0.00 52.86 55.10 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 -0.43 0.18 -0.63 -3.04 0.00 0.00 177.10 173.10 1gh8 s ILE 80 N 1.00 5.25 -1.36 -5.21 1.09 -1.26 -2.85 121.20 117.85 1gh8 s ILE 80 Ca 0.57 -0.40 -0.11 0.00 -1.10 0.00 0.00 60.65 59.61 1gh8 s ILE 80 Cb -0.28 -3.53 0.11 0.00 -1.06 0.00 0.00 42.46 37.69 1gh8 s ILE 80 CO 0.29 0.18 2.08 1.21 -0.10 0.00 0.00 174.94 178.60 1gh8 n GLU 81 N 0.47 3.41 -1.29 2.79 2.13 0.17 -4.83 120.64 123.49 1gh8 n GLU 81 Ca -0.07 -3.13 -0.35 0.00 0.66 0.00 0.00 57.16 54.27 1gh8 n GLU 81 Cb 0.51 -3.03 -0.05 0.00 0.27 0.00 0.00 31.44 29.14 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 3.87 4.15 -0.38 6.31 0.31 -1.26 -3.38 118.33 127.95 1gh8 n VAL 82 Ca 0.47 -2.48 0.00 0.00 -0.01 0.00 0.00 64.34 62.32 1gh8 n VAL 82 Cb 0.36 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.80 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 3.32 0.00 -2.93 2.52 -1.04 -1.26 -5.06 114.28 109.83 1gh8 n THR 83 Ca 0.72 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.05 62.13 1gh8 n THR 83 Cb 0.34 1.38 -0.04 0.00 -1.82 0.00 0.00 70.33 70.19 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 -0.15 6.93 -0.12 8.00 1.11 -1.19 -5.03 116.67 126.22 1gh8 s ASP 84 Ca 0.00 1.14 -0.10 0.00 0.18 0.00 0.00 52.55 53.77 1gh8 s ASP 84 Cb 0.00 -2.44 0.04 0.00 1.07 0.00 0.00 42.92 41.59 1gh8 s ASP 84 CO 0.00 -0.35 0.32 0.54 1.18 0.00 0.00 175.17 176.86 1gh8 s VAL 85 N 1.97 -0.01 -0.42 -1.27 0.11 -1.26 -0.64 120.40 118.88 1gh8 s VAL 85 Ca 0.37 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.48 1gh8 s VAL 85 Cb -0.17 -0.46 0.15 0.00 -1.53 0.00 0.00 36.38 34.37 1gh8 s VAL 85 CO 0.13 0.02 0.26 -0.13 -3.33 0.00 0.00 175.10 172.05 1gh8 s ARG 86 N 0.56 1.04 -1.22 1.54 3.00 0.16 -4.98 118.95 119.06 1gh8 s ARG 86 Ca -0.03 -1.88 -0.18 0.00 0.00 0.00 0.00 55.73 53.64 1gh8 s ARG 86 Cb -0.05 -1.88 0.09 0.00 0.00 0.00 0.00 34.95 33.12 1gh8 s ARG 86 CO -0.03 -1.23 1.60 1.03 0.00 0.00 0.00 175.30 176.67 1gh8 s ARG 87 N 0.43 3.92 -0.98 3.54 0.52 -1.26 -0.54 118.95 124.58 1gh8 s ARG 87 Ca 0.21 -1.96 -0.22 0.00 -0.52 0.00 0.00 55.73 53.24 1gh8 s ARG 87 Cb -0.17 -5.38 0.07 0.00 0.52 0.00 0.00 34.95 29.99 1gh8 s ARG 87 CO -0.04 -2.13 1.34 -0.51 0.02 0.00 0.00 175.30 173.98 1gh8 s LEU 88 N 3.75 3.96 0.00 2.53 1.43 -0.90 -4.98 118.68 124.46 1gh8 s LEU 88 Ca 0.49 -1.59 0.26 0.00 -1.03 0.00 0.00 54.13 52.27 1gh8 s LEU 88 Cb 0.02 -2.52 0.69 0.00 0.03 0.00 0.00 46.19 44.41 1gh8 s LEU 88 CO 0.03 -1.39 1.54 1.15 0.23 0.00 0.00 176.35 177.91