#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug8 n SER 2 N 0.00 0.65 -4.30 1.61 2.88 -1.26 -4.91 113.62 108.29 1ug8 n SER 2 Ca 0.00 0.93 -0.45 0.00 -1.33 0.00 0.00 58.87 58.02 1ug8 n SER 2 Cb 0.00 -1.31 -0.03 0.00 -0.75 0.00 0.00 64.21 62.12 1ug8 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug8 s SER 3 N -0.93 6.65 -0.10 -3.46 0.01 -1.26 -4.85 113.70 109.77 1ug8 s SER 3 Ca 0.67 -2.83 -0.07 0.00 1.31 0.00 0.00 55.95 55.02 1ug8 s SER 3 Cb -0.52 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 1ug8 s SER 3 CO 0.54 -0.51 -0.14 0.61 0.41 0.00 0.00 173.24 174.15 1ug8 n GLY 4 N 3.75 -0.74 0.40 3.44 0.00 -1.26 -1.85 105.19 108.92 1ug8 n GLY 4 Ca 0.15 -0.14 0.27 0.00 0.00 0.00 0.00 46.02 46.30 1ug8 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ug8 h SER 5 N -0.66 0.42 0.10 1.61 0.02 -2.01 0.22 113.55 113.25 1ug8 h SER 5 Ca 0.00 0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.88 1ug8 h SER 5 Cb 0.41 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1ug8 h SER 5 CO 0.00 -0.07 -1.02 -1.28 -1.14 0.00 0.00 176.83 173.32 1ug8 h SER 6 N 0.29 0.32 -0.49 3.07 0.87 -1.96 -3.30 113.55 112.35 1ug8 h SER 6 Ca 0.71 -0.87 0.14 0.00 -1.23 0.00 0.00 61.79 60.54 1ug8 h SER 6 Cb 1.86 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.69 1ug8 h SER 6 CO -0.45 1.45 0.62 1.23 -0.53 0.00 0.00 176.83 179.16 1ug8 h GLY 7 N -0.31 0.00 0.60 5.77 0.00 0.07 0.80 103.07 110.00 1ug8 h GLY 7 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1ug8 h GLY 7 CO 0.06 0.00 -0.15 -1.80 0.00 0.00 0.00 176.54 174.64 1ug8 h ASP 8 N 0.00 -0.37 1.27 0.19 1.82 -0.92 -2.94 116.42 115.47 1ug8 h ASP 8 Ca 0.23 -0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1ug8 h ASP 8 Cb 1.47 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1ug8 h ASP 8 CO -0.00 0.04 0.00 0.06 -1.61 0.00 0.00 179.24 177.72 1ug8 h GLN 9 N -0.84 0.00 -0.51 0.28 3.07 -0.93 -3.00 115.11 113.18 1ug8 h GLN 9 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.64 1ug8 h GLN 9 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.06 1ug8 h GLN 9 CO 0.07 0.00 0.09 -0.22 0.09 0.00 0.00 178.83 178.87 1ug8 h LYS 10 N 0.00 0.80 -0.06 0.06 3.64 0.59 0.22 116.57 121.83 1ug8 h LYS 10 Ca 0.00 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 1ug8 h LYS 10 Cb 0.63 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ug8 h LYS 10 CO 0.00 0.74 -0.22 0.87 -2.27 0.00 0.00 179.45 178.58 1ug8 h LYS 11 N 0.77 0.26 0.23 1.90 1.57 -1.37 -1.54 116.57 118.38 1ug8 h LYS 11 Ca 0.16 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ug8 h LYS 11 Cb 0.33 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1ug8 h LYS 11 CO 0.00 0.83 -0.20 0.35 -0.57 0.00 0.00 179.45 179.86 1ug8 h PHE 12 N -0.26 -0.52 -0.22 -1.35 3.04 -1.50 0.11 116.94 116.24 1ug8 h PHE 12 Ca -0.01 0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.98 1ug8 h PHE 12 Cb 0.85 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.53 1ug8 h PHE 12 CO 0.13 -0.30 -0.01 0.97 -2.02 0.00 0.00 178.31 177.08 1ug8 h ILE 13 N -0.45 0.83 -0.25 1.41 6.09 -0.64 -1.79 117.51 122.71 1ug8 h ILE 13 Ca -0.01 -0.02 0.06 0.00 -1.37 0.00 0.00 64.86 63.52 1ug8 h ILE 13 Cb 0.41 0.77 -0.07 0.00 0.47 0.00 0.00 36.82 38.40 1ug8 h ILE 13 CO -0.03 0.01 -0.24 0.44 -3.07 0.00 0.00 178.15 175.26 1ug8 h ASP 14 N 0.06 -0.78 -1.02 2.19 5.19 -0.97 0.24 116.42 121.33 1ug8 h ASP 14 Ca 0.10 0.14 0.25 0.00 -0.62 0.00 0.00 57.03 56.90 1ug8 h ASP 14 Cb 0.14 0.37 -0.10 0.00 0.18 0.00 0.00 39.33 39.91 1ug8 h ASP 14 CO -0.19 -0.28 0.63 1.56 -3.12 0.00 0.00 179.24 177.85 1ug8 h GLN 15 N -0.25 0.50 -0.01 3.56 4.20 -0.15 0.11 115.11 123.07 1ug8 h GLN 15 Ca 0.14 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ug8 h GLN 15 Cb 0.46 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ug8 h GLN 15 CO -0.39 0.33 -0.00 0.28 -0.67 0.00 0.00 178.83 178.38 1ug8 h VAL 16 N 0.51 1.37 -1.00 -0.54 2.07 0.14 -3.16 116.25 115.65 1ug8 h VAL 16 Ca 0.60 -1.09 0.18 0.00 0.82 0.00 0.00 66.70 67.21 1ug8 h VAL 16 Cb 1.31 2.10 -0.18 0.00 -1.52 0.00 0.00 31.29 33.00 1ug8 h VAL 16 CO -0.36 0.28 -0.32 0.40 0.02 0.00 0.00 177.57 177.60 1ug8 h ILE 17 N -0.45 0.00 -0.51 4.57 1.08 0.19 0.84 117.51 123.24 1ug8 h ILE 17 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1ug8 h ILE 17 Cb 0.47 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.12 1ug8 h ILE 17 CO 0.00 0.00 -0.20 -0.33 -0.69 0.00 0.00 178.15 176.94 1ug8 h GLU 18 N -0.00 -0.08 -0.40 2.37 4.39 -1.38 0.48 114.58 119.97 1ug8 h GLU 18 Ca 0.42 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.20 1ug8 h GLU 18 Cb 0.67 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 1ug8 h GLU 18 CO -1.01 -0.05 -0.03 0.87 -1.16 0.00 0.00 179.01 177.63 1ug8 h LYS 19 N -0.08 0.07 0.62 2.33 1.57 0.64 0.59 116.57 122.32 1ug8 h LYS 19 Ca 0.24 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1ug8 h LYS 19 Cb 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1ug8 h LYS 19 CO -0.56 0.05 -0.39 0.82 -0.57 0.00 0.00 179.45 178.80 1ug8 h ILE 20 N 0.08 0.00 -0.97 1.86 2.04 0.53 0.76 117.51 121.81 1ug8 h ILE 20 Ca 0.20 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.24 1ug8 h ILE 20 Cb 0.28 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.18 1ug8 h ILE 20 CO -0.35 0.00 -0.26 -0.33 0.00 0.00 0.00 178.15 177.21 1ug8 h GLU 21 N -0.95 -0.00 -0.09 2.37 5.08 0.23 0.93 114.58 122.14 1ug8 h GLU 21 Ca -0.08 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ug8 h GLU 21 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1ug8 h GLU 21 CO 0.08 -0.00 -0.03 0.22 -1.00 0.00 0.00 179.01 178.28 1ug8 h ASP 22 N -0.00 -0.09 -0.67 1.42 3.58 -0.58 0.76 116.42 120.84 1ug8 h ASP 22 Ca 0.45 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.98 1ug8 h ASP 22 Cb 0.69 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 1ug8 h ASP 22 CO -1.00 -0.03 0.44 0.15 -2.88 0.00 0.00 179.24 175.92 1ug8 h PHE 23 N -0.00 0.72 -0.11 0.28 3.57 0.30 -0.84 116.94 120.85 1ug8 h PHE 23 Ca 0.05 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.33 1ug8 h PHE 23 Cb 0.07 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.59 1ug8 h PHE 23 CO -0.15 0.40 -0.82 -0.07 -2.23 0.00 0.00 178.31 175.44 1ug8 h LEU 24 N 0.73 0.92 -0.75 0.59 3.38 0.14 -3.19 115.31 117.13 1ug8 h LEU 24 Ca 0.28 -0.66 0.07 0.00 0.09 0.00 0.00 57.88 57.66 1ug8 h LEU 24 Cb 0.18 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1ug8 h LEU 24 CO -0.08 1.44 0.43 1.56 0.09 0.00 0.00 178.44 181.88 1ug8 h GLN 25 N 0.48 0.76 -7.01 1.13 1.08 0.16 -3.41 115.11 108.29 1ug8 h GLN 25 Ca -0.07 -0.05 -0.52 0.00 -1.45 0.00 0.00 58.65 56.57 1ug8 h GLN 25 Cb 1.46 -0.17 0.08 0.00 -0.05 0.00 0.00 27.48 28.80 1ug8 h GLN 25 CO 0.17 0.50 0.51 0.45 -0.95 0.00 0.00 178.83 179.51 1ug8 s SER 26 N -5.64 6.02 -0.08 1.46 0.15 -0.43 -4.99 113.70 110.20 1ug8 s SER 26 Ca -0.13 2.41 -0.06 0.00 0.70 0.00 0.00 55.95 58.87 1ug8 s SER 26 Cb 0.17 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1ug8 s SER 26 CO 0.77 -1.03 -0.12 1.21 1.20 0.00 0.00 173.24 175.28 1ug8 n GLU 27 N -0.54 0.25 -0.32 5.44 0.00 -1.26 -4.39 120.64 119.82 1ug8 n GLU 27 Ca 0.08 0.33 0.20 0.00 0.00 0.00 0.00 57.16 57.77 1ug8 n GLU 27 Cb 0.47 -1.19 0.39 0.00 0.00 0.00 0.00 31.44 31.11 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1ug8 h GLU 28 N -0.53 0.09 -6.13 5.31 4.11 -1.95 -3.40 114.58 112.08 1ug8 h GLU 28 Ca 0.00 -0.01 -0.70 0.00 0.07 0.00 0.00 59.36 58.73 1ug8 h GLU 28 Cb 0.33 -0.02 0.08 0.00 0.50 0.00 0.00 28.75 29.64 1ug8 h GLU 28 CO 0.00 0.06 -0.06 1.63 0.07 0.00 0.00 179.01 180.71 1ug8 n LYS 29 N -5.31 0.43 -0.01 1.06 5.02 -1.26 -4.87 118.16 113.22 1ug8 n LYS 29 Ca 0.28 0.15 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 1ug8 n LYS 29 Cb 0.91 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 1ug8 n LYS 29 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ug8 n ARG 30 N 1.39 1.24 -3.84 1.97 0.00 -1.26 -4.95 116.66 111.20 1ug8 n ARG 30 Ca 0.17 0.01 -0.12 0.00 -0.00 0.00 0.00 57.85 57.92 1ug8 n ARG 30 Cb 0.20 -1.05 -0.10 0.00 0.00 0.00 0.00 32.46 31.52 1ug8 n ARG 30 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ug8 s SER 31 N -3.91 -0.03 0.08 6.15 1.04 -1.26 0.10 113.70 115.87 1ug8 s SER 31 Ca -0.02 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.33 1ug8 s SER 31 Cb 0.01 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1ug8 s SER 31 CO 0.06 -0.39 -0.10 -0.22 0.98 0.00 0.00 173.24 173.57 1ug8 s LEU 32 N -1.36 3.01 -0.14 2.42 2.96 0.16 -4.94 118.68 120.79 1ug8 s LEU 32 Ca -0.14 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1ug8 s LEU 32 Cb -0.07 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1ug8 s LEU 32 CO 0.02 0.21 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.46 1ug8 s GLU 33 N -1.97 2.69 0.52 1.98 2.02 -1.26 0.38 118.70 123.05 1ug8 s GLU 33 Ca 0.20 -0.73 0.09 0.00 0.02 0.00 0.00 54.97 54.55 1ug8 s GLU 33 Cb -0.11 -2.25 0.06 0.00 0.10 0.00 0.00 34.13 31.93 1ug8 s GLU 33 CO 0.12 -0.09 0.72 -0.51 0.02 0.00 0.00 175.26 175.52 1ug8 s LEU 34 N 1.03 3.30 0.41 1.80 1.43 -0.83 -5.03 118.68 120.79 1ug8 s LEU 34 Ca -0.03 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.25 1ug8 s LEU 34 Cb -0.15 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.95 1ug8 s LEU 34 CO -0.05 -1.14 0.84 -1.81 0.23 0.00 0.00 176.35 174.42 1ug8 s ASP 35 N -4.55 6.72 -0.16 2.29 1.01 -1.26 -4.62 116.67 116.10 1ug8 s ASP 35 Ca 0.59 1.39 -0.29 0.00 0.71 0.00 0.00 52.55 54.96 1ug8 s ASP 35 Cb -0.07 -2.43 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 1ug8 s ASP 35 CO 0.37 -0.36 1.27 -2.16 0.21 0.00 0.00 175.17 174.50 1ug8 s PRO 36 N -3.45 4.23 0.12 8.23 0.04 -1.26 -4.54 135.00 138.36 1ug8 s PRO 36 Ca 0.56 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 1ug8 s PRO 36 Cb -0.10 -3.77 0.02 0.00 0.04 0.00 0.00 34.50 30.70 1ug8 s PRO 36 CO 0.23 -0.71 0.16 0.00 0.04 0.00 0.00 177.00 176.72 1ug8 n THR 38 N -1.73 1.50 0.00 0.00 5.66 -1.26 -5.00 114.28 113.44 1ug8 n THR 38 Ca 0.03 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 1ug8 n THR 38 Cb 0.09 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 1ug8 n THR 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ug8 n GLY 39 N 1.61 1.72 0.25 1.09 0.00 -1.26 -5.01 105.19 103.59 1ug8 n GLY 39 Ca -0.22 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1ug8 n GLY 39 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ug8 h PHE 40 N 0.00 -0.62 -1.00 1.61 3.57 -2.00 -2.46 116.94 116.04 1ug8 h PHE 40 Ca 0.00 -0.01 0.37 0.00 3.53 0.00 0.00 57.97 61.86 1ug8 h PHE 40 Cb 0.00 0.22 -0.18 0.00 2.79 0.00 0.00 35.95 38.78 1ug8 h PHE 40 CO 0.00 -0.36 0.39 1.96 -2.23 0.00 0.00 178.31 178.06 1ug8 h GLN 41 N -0.61 0.03 0.00 1.11 4.20 -1.97 0.79 115.11 118.65 1ug8 h GLN 41 Ca -0.06 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ug8 h GLN 41 Cb 0.48 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1ug8 h GLN 41 CO 0.08 0.02 -0.19 0.00 -0.67 0.00 0.00 178.83 178.06 1ug8 h ARG 42 N 0.03 -0.30 -0.19 1.46 3.08 -1.88 0.20 114.38 116.77 1ug8 h ARG 42 Ca 0.77 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.89 1ug8 h ARG 42 Cb 1.90 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 32.01 1ug8 h ARG 42 CO -0.80 -0.20 0.18 1.57 -1.07 0.00 0.00 179.97 179.65 1ug8 h LYS 43 N -0.31 0.00 0.05 0.04 2.10 0.10 0.11 116.57 118.66 1ug8 h LYS 43 Ca 0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1ug8 h LYS 43 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1ug8 h LYS 43 CO -0.18 0.00 -0.02 -0.07 -2.00 0.00 0.00 179.45 177.18 1ug8 h LEU 44 N 0.00 -0.06 -0.14 7.07 3.38 0.31 0.04 115.31 125.92 1ug8 h LEU 44 Ca 0.09 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.56 1ug8 h LEU 44 Cb 0.46 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1ug8 h LEU 44 CO -0.00 0.55 -0.13 0.40 0.09 0.00 0.00 178.44 179.35 1ug8 h ILE 45 N -0.70 0.64 -0.96 1.22 2.04 0.57 0.64 117.51 120.97 1ug8 h ILE 45 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1ug8 h ILE 45 Cb 0.60 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1ug8 h ILE 45 CO 0.01 0.00 0.59 1.88 0.00 0.00 0.00 178.15 180.63 1ug8 h TYR 46 N -0.15 1.25 -0.52 1.37 0.05 -1.10 0.57 116.97 118.44 1ug8 h TYR 46 Ca 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 1ug8 h TYR 46 Cb 0.29 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1ug8 h TYR 46 CO -0.25 0.82 0.06 1.96 -1.05 0.00 0.00 178.16 179.70 1ug8 h GLN 47 N 1.32 0.87 0.48 4.88 1.08 0.05 0.31 115.11 124.10 1ug8 h GLN 47 Ca 0.35 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1ug8 h GLN 47 Cb -0.08 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 1ug8 h GLN 47 CO -0.07 0.87 -0.23 1.15 -0.95 0.00 0.00 178.83 179.60 1ug8 h THR 48 N 0.75 0.03 -0.04 -0.54 2.02 0.80 -3.00 112.91 112.93 1ug8 h THR 48 Ca 0.15 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1ug8 h THR 48 Cb 0.44 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1ug8 h THR 48 CO 0.01 0.01 0.30 -0.07 0.37 0.00 0.00 175.52 176.15 1ug8 h LEU 49 N -1.16 0.00 -1.16 2.58 3.38 0.07 1.53 115.31 120.55 1ug8 h LEU 49 Ca -0.07 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ug8 h LEU 49 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1ug8 h LEU 49 CO 0.11 0.00 0.58 -1.28 0.09 0.00 0.00 178.44 177.94 1ug8 h SER 50 N 0.00 0.89 0.00 -0.43 0.87 -0.78 0.45 113.55 114.55 1ug8 h SER 50 Ca 0.02 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1ug8 h SER 50 Cb 0.63 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1ug8 h SER 50 CO -0.00 0.57 -1.58 -2.67 -0.53 0.00 0.00 176.83 172.61 1ug8 n TRP 51 N -4.49 0.00 0.07 2.24 4.27 0.73 -3.75 117.44 116.51 1ug8 n TRP 51 Ca 0.14 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.78 1ug8 n TRP 51 Cb 0.21 -0.41 0.41 0.00 -1.36 0.00 0.00 31.31 30.16 1ug8 n TRP 51 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1ug8 h LYS 52 N 0.00 0.38 -1.14 -2.67 1.57 0.20 -3.37 116.57 111.54 1ug8 h LYS 52 Ca -0.23 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.33 1ug8 h LYS 52 Cb 1.48 -0.07 -0.19 0.00 0.08 0.00 0.00 32.23 33.54 1ug8 h LYS 52 CO 0.00 0.36 -0.52 0.71 -0.57 0.00 0.00 179.45 179.43 1ug8 s TYR 53 N -5.08 -1.40 -0.02 -1.35 2.02 0.16 -4.95 117.35 106.72 1ug8 s TYR 53 Ca -0.07 -0.52 -0.22 0.00 -0.37 0.00 0.00 57.07 55.89 1ug8 s TYR 53 Cb 0.16 0.20 -0.22 0.00 -0.40 0.00 0.00 41.96 41.70 1ug8 s TYR 53 CO 0.73 -1.21 1.10 -1.00 -1.57 0.00 0.00 175.55 173.60 1ug8 h PRO 54 N 5.58 0.28 -4.35 -1.71 0.13 -1.63 -3.41 132.00 126.89 1ug8 h PRO 54 Ca 0.07 -0.28 -0.50 0.00 -0.87 0.00 0.00 66.00 64.42 1ug8 h PRO 54 Cb 1.11 0.07 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 1ug8 h PRO 54 CO 0.06 0.96 -0.80 -1.59 -0.23 0.00 0.00 178.00 176.40 1ug8 s LYS 55 N -3.32 1.50 0.00 0.86 -2.85 -1.26 -4.78 119.74 109.89 1ug8 s LYS 55 Ca -0.15 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.51 1ug8 s LYS 55 Cb 0.02 -1.38 0.00 0.00 -2.06 0.00 0.00 37.83 34.42 1ug8 s LYS 55 CO 0.77 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.54 1ug8 n GLY 56 N 4.23 2.56 3.30 0.59 0.00 -1.26 -5.03 105.19 109.58 1ug8 n GLY 56 Ca -0.20 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 1ug8 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ug8 s ILE 57 N 0.00 1.13 -0.20 -0.61 -5.25 -1.26 -1.53 121.20 113.47 1ug8 s ILE 57 Ca 0.00 -2.05 -0.01 0.00 -0.99 0.00 0.00 60.65 57.60 1ug8 s ILE 57 Cb 0.00 -2.15 0.06 0.00 2.95 0.00 0.00 42.46 43.32 1ug8 s ILE 57 CO 0.00 -0.49 -0.02 -2.28 -1.79 0.00 0.00 174.94 170.36 1ug8 s HIS 58 N -3.36 1.73 -0.23 1.37 2.46 -0.56 -4.82 115.29 111.89 1ug8 s HIS 58 Ca 0.24 -1.28 -0.10 0.00 0.47 0.00 0.00 55.06 54.39 1ug8 s HIS 58 Cb 0.04 -1.31 -0.05 0.00 -0.13 0.00 0.00 32.58 31.13 1ug8 s HIS 58 CO 0.06 -0.68 0.16 0.08 -2.47 0.00 0.00 174.74 171.88 1ug8 s VAL 59 N 1.62 5.37 0.14 0.89 1.01 -1.26 -0.46 120.40 127.71 1ug8 s VAL 59 Ca -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 1ug8 s VAL 59 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1ug8 s VAL 59 CO -0.07 0.37 0.11 -1.83 0.00 0.00 0.00 175.10 173.68 1ug8 s GLU 60 N 0.84 0.97 -0.50 2.72 4.04 0.62 -4.96 118.70 122.44 1ug8 s GLU 60 Ca 0.08 -1.37 -0.16 0.00 0.04 0.00 0.00 54.97 53.56 1ug8 s GLU 60 Cb -0.13 0.27 0.09 0.00 0.02 0.00 0.00 34.13 34.39 1ug8 s GLU 60 CO 0.03 -0.29 0.45 0.99 -1.84 0.00 0.00 175.26 174.59 1ug8 s THR 61 N -4.03 5.20 -0.15 1.83 2.01 -1.26 -0.02 115.64 119.23 1ug8 s THR 61 Ca 0.22 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 60.93 1ug8 s THR 61 Cb 0.07 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1ug8 s THR 61 CO 0.01 -0.70 0.16 -0.76 -0.69 0.00 0.00 174.62 172.63 1ug8 s LEU 62 N 1.69 4.32 -0.09 4.42 1.43 -0.82 -4.84 118.68 124.79 1ug8 s LEU 62 Ca 0.04 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1ug8 s LEU 62 Cb -0.26 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1ug8 s LEU 62 CO 0.06 0.31 -0.17 -0.70 0.23 0.00 0.00 176.35 176.07 1ug8 s GLU 63 N -0.46 2.34 0.00 1.70 2.12 -1.26 -0.43 118.70 122.71 1ug8 s GLU 63 Ca 0.13 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1ug8 s GLU 63 Cb -0.12 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.39 1ug8 s GLU 63 CO 0.02 0.05 0.00 0.25 -0.54 0.00 0.00 175.26 175.04 1ug8 n THR 64 N 3.85 0.00 -0.05 -1.70 -2.24 -1.24 -4.81 114.28 108.09 1ug8 n THR 64 Ca -0.20 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1ug8 n THR 64 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1ug8 n THR 64 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ug8 n ASP 65 N 0.00 1.22 -0.00 3.42 2.03 -1.26 -3.76 116.55 118.20 1ug8 n ASP 65 Ca 0.00 0.43 -0.22 0.00 0.52 0.00 0.00 54.79 55.53 1ug8 n ASP 65 Cb 0.00 -0.73 -0.14 0.00 -0.72 0.00 0.00 41.12 39.54 1ug8 n ASP 65 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1ug8 h LYS 66 N -0.66 0.25 -0.59 -0.67 2.10 -2.04 -3.35 116.57 111.61 1ug8 h LYS 66 Ca 0.00 -0.42 -0.07 0.00 -2.00 0.00 0.00 60.65 58.16 1ug8 h LYS 66 Cb 0.42 0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 1ug8 h LYS 66 CO 0.00 1.20 0.10 0.87 -2.00 0.00 0.00 179.45 179.62 1ug8 h LYS 67 N -0.03 0.95 0.00 0.07 1.57 -1.97 -3.48 116.57 113.67 1ug8 h LYS 67 Ca -0.41 -0.23 0.17 0.00 -1.87 0.00 0.00 60.65 58.30 1ug8 h LYS 67 Cb 1.97 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 34.11 1ug8 h LYS 67 CO 0.06 0.88 -0.22 0.39 -0.57 0.00 0.00 179.45 179.99 1ug8 n GLU 68 N -4.23 -1.23 -1.60 3.15 1.02 -1.25 -4.39 120.64 112.11 1ug8 n GLU 68 Ca 0.04 0.81 -0.47 0.00 -0.02 0.00 0.00 57.16 57.52 1ug8 n GLU 68 Cb 0.27 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1ug8 n GLU 68 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ug8 n ARG 69 N -2.19 1.92 -3.67 3.49 0.63 -1.23 -3.61 116.66 112.00 1ug8 n ARG 69 Ca 0.00 0.63 -0.15 0.00 -0.92 0.00 0.00 57.85 57.41 1ug8 n ARG 69 Cb 0.28 -2.81 -0.08 0.00 0.45 0.00 0.00 32.46 30.30 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1ug8 s HIS 70 N 6.13 -0.47 0.15 -0.14 -3.43 0.42 -4.77 115.29 113.19 1ug8 s HIS 70 Ca 0.99 0.96 -0.31 0.00 -0.80 0.00 0.00 55.06 55.89 1ug8 s HIS 70 Cb -0.60 0.23 -0.10 0.00 -1.43 0.00 0.00 32.58 30.67 1ug8 s HIS 70 CO 0.45 -0.41 1.60 0.42 -2.00 0.00 0.00 174.74 174.81 1ug8 s ILE 71 N -0.66 2.62 0.05 -5.38 1.01 -1.26 -1.94 121.20 115.63 1ug8 s ILE 71 Ca -0.08 0.40 0.05 0.00 0.00 0.00 0.00 60.65 61.02 1ug8 s ILE 71 Cb -0.03 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 1ug8 s ILE 71 CO 0.05 0.03 -0.14 -0.69 0.00 0.00 0.00 174.94 174.18 1ug8 s VAL 72 N 1.39 1.08 0.14 2.92 1.01 0.97 -1.97 120.40 125.94 1ug8 s VAL 72 Ca 0.71 -1.12 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1ug8 s VAL 72 Cb -0.44 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1ug8 s VAL 72 CO 0.32 -0.11 -0.18 -0.63 0.00 0.00 0.00 175.10 174.50 1ug8 s ILE 73 N -1.04 2.79 0.08 2.22 1.09 0.16 -0.27 121.20 126.23 1ug8 s ILE 73 Ca -0.00 -1.64 0.01 0.00 -1.10 0.00 0.00 60.65 57.92 1ug8 s ILE 73 Cb -0.09 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.97 1ug8 s ILE 73 CO 0.02 0.02 -0.06 -0.55 -0.10 0.00 0.00 174.94 174.27 1ug8 s SER 74 N -2.36 0.96 -0.09 3.58 0.15 0.40 0.37 113.70 116.71 1ug8 s SER 74 Ca 0.19 -0.97 -0.30 0.00 0.70 0.00 0.00 55.95 55.57 1ug8 s SER 74 Cb -0.10 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1ug8 s SER 74 CO 0.11 -0.48 1.04 -0.54 1.20 0.00 0.00 173.24 174.57 1ug8 s LYS 75 N -3.70 4.42 0.27 5.44 3.01 0.11 -1.49 119.74 127.80 1ug8 s LYS 75 Ca 0.09 1.45 0.08 0.00 -1.01 0.00 0.00 55.97 56.58 1ug8 s LYS 75 Cb 0.05 -3.54 -0.06 0.00 -1.01 0.00 0.00 37.83 33.28 1ug8 s LYS 75 CO -0.06 -0.32 -0.10 0.08 0.51 0.00 0.00 175.35 175.46 1ug8 s VAL 76 N 1.97 1.87 0.06 3.17 1.01 -0.58 -4.85 120.40 123.04 1ug8 s VAL 76 Ca 0.50 -2.20 0.01 0.00 0.00 0.00 0.00 61.98 60.30 1ug8 s VAL 76 Cb -0.20 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1ug8 s VAL 76 CO 0.19 -0.36 -0.06 -0.62 0.00 0.00 0.00 175.10 174.25 1ug8 s ASP 77 N -3.45 0.76 0.02 3.32 2.15 -1.26 -4.60 116.67 113.60 1ug8 s ASP 77 Ca 0.28 -0.76 -0.17 0.00 0.43 0.00 0.00 52.55 52.33 1ug8 s ASP 77 Cb 0.01 0.10 -0.10 0.00 -0.30 0.00 0.00 42.92 42.63 1ug8 s ASP 77 CO 0.12 -0.38 1.06 -0.33 -0.17 0.00 0.00 175.17 175.47 1ug8 h GLU 78 N 3.81 -0.60 -0.65 4.34 5.08 -1.94 -2.08 114.58 122.54 1ug8 h GLU 78 Ca -0.35 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1ug8 h GLU 78 Cb 1.18 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 30.47 1ug8 h GLU 78 CO 0.53 -0.40 -0.55 0.93 -1.00 0.00 0.00 179.01 178.51 1ug8 h GLU 79 N -0.73 -0.20 -0.25 2.33 4.39 -1.98 -1.91 114.58 116.23 1ug8 h GLU 79 Ca -0.06 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1ug8 h GLU 79 Cb 0.48 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1ug8 h GLU 79 CO 0.10 -0.14 -0.21 1.49 -1.16 0.00 0.00 179.01 179.09 1ug8 h GLU 80 N -0.21 -0.08 -7.05 2.33 4.57 -1.99 -3.40 114.58 108.74 1ug8 h GLU 80 Ca 0.11 0.01 -0.54 0.00 -1.18 0.00 0.00 59.36 57.76 1ug8 h GLU 80 Cb 0.49 0.02 0.19 0.00 -0.16 0.00 0.00 28.75 29.29 1ug8 h GLU 80 CO -0.73 -0.05 0.07 0.54 -1.18 0.00 0.00 179.01 177.66 1ug8 n ARG 81 N -3.76 0.07 -0.08 1.92 1.74 -0.72 -4.96 116.66 110.87 1ug8 n ARG 81 Ca -0.00 0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 1ug8 n ARG 81 Cb 0.11 -2.25 -0.12 0.00 -1.02 0.00 0.00 32.46 29.19 1ug8 n ARG 81 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1ug8 h SER 82 N -1.01 0.08 -5.00 0.55 0.02 -1.79 -3.46 113.55 102.94 1ug8 h SER 82 Ca -0.45 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 59.89 1ug8 h SER 82 Cb 1.30 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1ug8 h SER 82 CO 0.43 1.53 0.00 0.61 -1.14 0.00 0.00 176.83 178.26 1ug8 n GLY 83 N 1.53 2.88 3.80 -3.77 0.00 -1.26 -5.07 105.19 103.31 1ug8 n GLY 83 Ca -0.31 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 1ug8 n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug8 s PRO 84 N -3.27 3.50 -0.08 1.61 0.04 -1.26 -5.00 135.00 130.53 1ug8 s PRO 84 Ca 0.00 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 1ug8 s PRO 84 Cb 0.00 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 1ug8 s PRO 84 CO 0.00 -0.67 0.60 1.03 0.04 0.00 0.00 177.00 178.01 1ug8 h SER 85 N 0.76 -0.11 0.12 6.66 0.87 -2.08 -3.38 113.55 116.40 1ug8 h SER 85 Ca -0.47 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 59.68 1ug8 h SER 85 Cb 1.22 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1ug8 h SER 85 CO 0.58 0.53 -0.06 -1.28 -0.53 0.00 0.00 176.83 176.08 1ug8 h SER 86 N -0.95 -0.14 0.00 6.23 0.87 -2.06 -3.57 113.55 113.93 1ug8 h SER 86 Ca -0.01 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1ug8 h SER 86 Cb 0.50 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1ug8 h SER 86 CO 0.02 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.40