#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug8 s SER 2 N 0.00 5.68 0.00 1.61 1.04 -1.26 -4.01 113.70 116.77 1ug8 s SER 2 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1ug8 s SER 2 Cb 0.00 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1ug8 s SER 2 CO 0.00 -0.41 0.00 -1.20 0.98 0.00 0.00 173.24 172.61 1ug8 n SER 3 N -1.54 0.00 0.23 7.02 7.64 -1.26 -4.31 113.62 121.40 1ug8 n SER 3 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1ug8 n SER 3 Cb 0.59 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.70 1ug8 n SER 3 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ug8 h GLY 4 N 0.00 -1.07 -0.54 0.23 0.00 -1.99 0.23 103.07 99.93 1ug8 h GLY 4 Ca 0.00 0.54 0.05 0.00 0.00 0.00 0.00 47.33 47.92 1ug8 h GLY 4 CO 0.00 -0.33 -0.47 0.23 0.00 0.00 0.00 176.54 175.97 1ug8 h SER 5 N -0.86 -1.63 -0.30 0.19 0.87 -1.75 0.45 113.55 110.51 1ug8 h SER 5 Ca -0.03 0.23 0.07 0.00 -1.23 0.00 0.00 61.79 60.83 1ug8 h SER 5 Cb 0.78 0.69 -0.07 0.00 -0.44 0.00 0.00 62.40 63.37 1ug8 h SER 5 CO -0.12 -0.27 -0.19 0.28 -0.53 0.00 0.00 176.83 176.00 1ug8 h SER 6 N -0.19 -0.63 -0.92 6.23 0.02 -1.82 -1.46 113.55 114.78 1ug8 h SER 6 Ca 0.09 0.13 0.18 0.00 -0.84 0.00 0.00 61.79 61.35 1ug8 h SER 6 Cb 0.42 0.33 -0.17 0.00 0.14 0.00 0.00 62.40 63.12 1ug8 h SER 6 CO -0.61 -0.23 -0.27 1.23 -1.14 0.00 0.00 176.83 175.82 1ug8 h GLY 7 N -0.16 0.52 -0.29 -3.77 0.00 0.15 1.35 103.07 100.87 1ug8 h GLY 7 Ca 0.16 0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.96 1ug8 h GLY 7 CO -0.40 -0.32 -0.21 -0.55 0.00 0.00 0.00 176.54 175.06 1ug8 h ASP 8 N -0.01 -0.76 0.77 0.19 5.19 -0.03 1.47 116.42 123.25 1ug8 h ASP 8 Ca 0.42 0.20 -0.12 0.00 -0.62 0.00 0.00 57.03 56.91 1ug8 h ASP 8 Cb 0.66 0.44 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1ug8 h ASP 8 CO -0.95 -0.24 -0.57 1.56 -3.12 0.00 0.00 179.24 175.91 1ug8 h GLN 9 N -0.06 0.00 -0.47 3.56 7.50 0.22 -2.13 115.11 123.73 1ug8 h GLN 9 Ca 0.28 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.33 1ug8 h GLN 9 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1ug8 h GLN 9 CO -0.65 0.57 -0.09 -0.22 -1.50 0.00 0.00 178.83 176.95 1ug8 h LYS 10 N 0.00 0.88 -0.01 1.46 1.63 0.62 0.47 116.57 121.63 1ug8 h LYS 10 Ca -0.01 -0.33 -0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1ug8 h LYS 10 Cb 1.11 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1ug8 h LYS 10 CO 0.07 0.97 -0.00 0.87 -3.45 0.00 0.00 179.45 177.91 1ug8 h LYS 11 N 0.73 0.02 0.33 1.90 1.79 0.19 -0.33 116.57 121.19 1ug8 h LYS 11 Ca 0.12 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1ug8 h LYS 11 Cb 0.63 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 1ug8 h LYS 11 CO 0.04 0.37 -0.38 0.35 -1.08 0.00 0.00 179.45 178.75 1ug8 h PHE 12 N -0.34 -1.05 -0.72 -1.35 3.04 -1.32 0.21 116.94 115.42 1ug8 h PHE 12 Ca 0.00 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.06 1ug8 h PHE 12 Cb 0.36 0.42 -0.07 0.00 2.56 0.00 0.00 35.95 39.22 1ug8 h PHE 12 CO 0.05 -0.52 0.35 0.97 -2.02 0.00 0.00 178.31 177.13 1ug8 h ILE 13 N -0.75 0.82 0.20 1.41 6.09 -0.94 -1.56 117.51 122.78 1ug8 h ILE 13 Ca -0.02 -0.20 0.01 0.00 -1.37 0.00 0.00 64.86 63.28 1ug8 h ILE 13 Cb 0.69 0.19 -0.03 0.00 0.47 0.00 0.00 36.82 38.14 1ug8 h ILE 13 CO -0.10 0.11 -0.30 0.44 -3.07 0.00 0.00 178.15 175.22 1ug8 h ASP 14 N 0.58 -0.85 -1.06 2.19 5.19 -0.39 0.56 116.42 122.63 1ug8 h ASP 14 Ca 0.36 0.09 0.31 0.00 -0.62 0.00 0.00 57.03 57.16 1ug8 h ASP 14 Cb 0.41 0.31 -0.12 0.00 0.18 0.00 0.00 39.33 40.10 1ug8 h ASP 14 CO -0.29 -0.41 0.65 0.06 -3.12 0.00 0.00 179.24 176.13 1ug8 h GLN 15 N -0.57 0.36 -0.10 3.56 3.07 0.35 0.46 115.11 122.23 1ug8 h GLN 15 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1ug8 h GLN 15 Cb 0.57 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 1ug8 h GLN 15 CO -0.13 0.24 -0.05 0.28 0.09 0.00 0.00 178.83 179.25 1ug8 h VAL 16 N 0.37 1.32 -0.89 1.86 2.07 -0.43 -3.08 116.25 117.47 1ug8 h VAL 16 Ca 0.69 -1.09 0.19 0.00 0.82 0.00 0.00 66.70 67.31 1ug8 h VAL 16 Cb 1.66 1.83 -0.17 0.00 -1.52 0.00 0.00 31.29 33.09 1ug8 h VAL 16 CO -0.45 0.31 -0.18 0.40 0.02 0.00 0.00 177.57 177.66 1ug8 h ILE 17 N -0.14 0.12 -0.43 4.57 1.08 0.20 0.67 117.51 123.58 1ug8 h ILE 17 Ca 0.02 -0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 1ug8 h ILE 17 Cb 0.51 0.11 -0.09 0.00 -3.07 0.00 0.00 36.82 34.28 1ug8 h ILE 17 CO 0.02 0.00 -0.16 -0.33 -0.69 0.00 0.00 178.15 176.99 1ug8 h GLU 18 N 0.01 -0.07 -0.46 2.37 4.39 -1.32 0.67 114.58 120.18 1ug8 h GLU 18 Ca 0.44 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.17 1ug8 h GLU 18 Cb 0.71 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1ug8 h GLU 18 CO -0.90 -0.04 0.26 0.87 -1.16 0.00 0.00 179.01 178.04 1ug8 h LYS 19 N -0.07 0.51 0.44 2.33 1.57 0.21 -1.71 116.57 119.86 1ug8 h LYS 19 Ca 0.21 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1ug8 h LYS 19 Cb 0.39 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ug8 h LYS 19 CO -0.48 0.34 -0.27 0.82 -0.57 0.00 0.00 179.45 179.29 1ug8 h ILE 20 N 0.53 0.00 -0.86 1.86 2.04 0.11 0.07 117.51 121.26 1ug8 h ILE 20 Ca 0.19 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 1ug8 h ILE 20 Cb 0.04 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.01 1ug8 h ILE 20 CO -0.10 0.00 -0.48 -0.62 0.00 0.00 0.00 178.15 176.95 1ug8 n GLU 21 N -4.00 -0.35 0.00 2.37 1.02 0.22 0.10 120.64 120.00 1ug8 n GLU 21 Ca -0.08 1.29 -0.11 0.00 -0.02 0.00 0.00 57.16 58.24 1ug8 n GLU 21 Cb 0.27 -1.91 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 1ug8 n GLU 21 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1ug8 h ASP 22 N 0.00 -1.13 -0.97 1.62 3.58 -1.20 0.95 116.42 119.26 1ug8 h ASP 22 Ca 0.16 0.16 0.17 0.00 0.42 0.00 0.00 57.03 57.94 1ug8 h ASP 22 Cb 0.37 0.47 -0.09 0.00 1.72 0.00 0.00 39.33 41.81 1ug8 h ASP 22 CO -0.81 -0.39 0.61 0.15 -2.88 0.00 0.00 179.24 175.92 1ug8 h PHE 23 N -0.44 0.97 -0.08 0.28 3.57 0.21 0.36 116.94 121.81 1ug8 h PHE 23 Ca 0.09 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 1ug8 h PHE 23 Cb 0.58 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1ug8 h PHE 23 CO -0.44 0.28 -0.62 -0.07 -2.23 0.00 0.00 178.31 175.23 1ug8 h LEU 24 N 0.75 0.33 0.15 0.59 3.38 0.29 -3.20 115.31 117.60 1ug8 h LEU 24 Ca 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1ug8 h LEU 24 Cb 0.82 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1ug8 h LEU 24 CO -0.29 0.87 -0.07 1.56 0.09 0.00 0.00 178.44 180.60 1ug8 h GLN 25 N 0.21 -0.19 -6.71 1.13 1.08 0.47 -3.43 115.11 107.67 1ug8 h GLN 25 Ca -0.01 0.01 -0.58 0.00 -1.45 0.00 0.00 58.65 56.63 1ug8 h GLN 25 Cb 1.14 0.04 0.12 0.00 -0.05 0.00 0.00 27.48 28.74 1ug8 h GLN 25 CO 0.10 0.02 0.34 0.45 -0.95 0.00 0.00 178.83 178.79 1ug8 n SER 26 N -5.10 2.01 -0.03 1.46 2.88 0.09 -4.92 113.62 110.01 1ug8 n SER 26 Ca -0.09 1.11 -0.19 0.00 -1.33 0.00 0.00 58.87 58.38 1ug8 n SER 26 Cb 0.17 -1.42 -0.14 0.00 -0.75 0.00 0.00 64.21 62.07 1ug8 n SER 26 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ug8 n GLU 27 N 0.25 0.72 -0.06 -1.46 0.00 -1.26 -4.33 120.64 114.50 1ug8 n GLU 27 Ca 0.07 0.23 -0.12 0.00 0.00 0.00 0.00 57.16 57.35 1ug8 n GLU 27 Cb 0.38 -1.67 -0.05 0.00 0.00 0.00 0.00 31.44 30.09 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1ug8 h GLU 28 N 0.05 0.35 -5.98 3.44 4.81 -1.94 -3.44 114.58 111.86 1ug8 h GLU 28 Ca -0.45 -0.11 -0.75 0.00 -0.13 0.00 0.00 59.36 57.92 1ug8 h GLU 28 Cb 2.01 -0.03 0.07 0.00 0.63 0.00 0.00 28.75 31.43 1ug8 h GLU 28 CO 0.05 0.56 -0.12 1.63 -0.73 0.00 0.00 179.01 180.39 1ug8 n LYS 29 N -4.69 0.00 -0.01 1.92 5.02 -1.26 -4.86 118.16 114.28 1ug8 n LYS 29 Ca -0.04 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.23 1ug8 n LYS 29 Cb 0.23 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1ug8 n LYS 29 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ug8 n ARG 30 N 1.34 0.73 -3.72 1.97 5.12 -1.26 -4.92 116.66 115.91 1ug8 n ARG 30 Ca 0.19 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.99 1ug8 n ARG 30 Cb 0.13 -1.05 -0.14 0.00 -1.16 0.00 0.00 32.46 30.25 1ug8 n ARG 30 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ug8 s SER 31 N -4.05 -0.06 0.11 0.55 1.04 -1.26 -0.95 113.70 109.07 1ug8 s SER 31 Ca -0.03 0.43 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 1ug8 s SER 31 Cb 0.01 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1ug8 s SER 31 CO 0.06 -0.17 0.32 -0.22 0.98 0.00 0.00 173.24 174.21 1ug8 s LEU 32 N 1.41 4.30 -0.12 2.42 2.96 0.15 -4.91 118.68 124.89 1ug8 s LEU 32 Ca -0.07 0.51 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1ug8 s LEU 32 Cb -0.11 -3.15 0.01 0.00 0.50 0.00 0.00 46.19 43.44 1ug8 s LEU 32 CO -0.07 0.11 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.25 1ug8 s GLU 33 N -2.51 2.79 0.53 1.98 2.02 -1.26 0.35 118.70 122.59 1ug8 s GLU 33 Ca 0.38 -0.77 0.08 0.00 0.02 0.00 0.00 54.97 54.68 1ug8 s GLU 33 Cb -0.12 -2.24 0.05 0.00 0.10 0.00 0.00 34.13 31.92 1ug8 s GLU 33 CO 0.24 0.02 0.62 -0.51 0.02 0.00 0.00 175.26 175.65 1ug8 s LEU 34 N 0.75 3.11 0.62 1.80 1.43 -0.76 -5.01 118.68 120.61 1ug8 s LEU 34 Ca -0.10 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 51.98 1ug8 s LEU 34 Cb -0.16 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1ug8 s LEU 34 CO 0.01 -1.13 1.05 1.51 0.23 0.00 0.00 176.35 178.02 1ug8 s ASP 35 N -4.46 5.75 -0.34 2.29 -4.77 -1.26 -4.46 116.67 109.42 1ug8 s ASP 35 Ca 0.52 1.73 -0.29 0.00 -3.30 0.00 0.00 52.55 51.21 1ug8 s ASP 35 Cb -0.05 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1ug8 s ASP 35 CO 0.32 -1.19 1.37 -2.16 0.70 0.00 0.00 175.17 174.21 1ug8 s PRO 36 N -4.39 3.77 0.75 2.11 0.04 -1.26 -4.15 135.00 131.87 1ug8 s PRO 36 Ca 0.61 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1ug8 s PRO 36 Cb -0.15 -3.95 0.04 0.00 0.04 0.00 0.00 34.50 30.49 1ug8 s PRO 36 CO 0.42 -1.31 1.08 0.00 0.04 0.00 0.00 177.00 177.24 1ug8 n THR 38 N -3.28 1.06 0.00 0.00 5.66 -1.26 -4.93 114.28 111.53 1ug8 n THR 38 Ca 0.07 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 1ug8 n THR 38 Cb 0.55 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 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 1.46 -1.41 0.41 1.09 0.00 -1.26 -4.98 105.19 100.50 1ug8 n GLY 39 Ca -0.14 0.47 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.43 -0.57 1.61 3.57 -2.00 -0.46 116.94 117.66 1ug8 h PHE 40 Ca 0.00 0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.68 1ug8 h PHE 40 Cb 0.00 0.70 -0.11 0.00 2.79 0.00 0.00 35.95 39.34 1ug8 h PHE 40 CO 0.00 -0.44 -0.39 1.96 -2.23 0.00 0.00 178.31 177.22 1ug8 h GLN 41 N -0.25 -0.20 -0.88 1.11 1.08 -1.97 0.26 115.11 114.27 1ug8 h GLN 41 Ca 0.16 0.01 0.22 0.00 -1.45 0.00 0.00 58.65 57.59 1ug8 h GLN 41 Cb 0.56 0.04 -0.16 0.00 -0.05 0.00 0.00 27.48 27.88 1ug8 h GLN 41 CO -0.69 -0.13 0.05 -0.09 -0.95 0.00 0.00 178.83 177.02 1ug8 h ARG 42 N -0.20 0.08 -0.68 1.46 2.43 -1.46 1.54 114.38 117.55 1ug8 h ARG 42 Ca 0.20 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1ug8 h ARG 42 Cb 0.56 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1ug8 h ARG 42 CO -0.68 0.05 0.33 0.87 -1.51 0.00 0.00 179.97 179.04 1ug8 h LYS 43 N 0.08 0.96 0.80 0.20 1.57 0.06 -2.13 116.57 118.11 1ug8 h LYS 43 Ca 0.51 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1ug8 h LYS 43 Cb 1.00 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1ug8 h LYS 43 CO -0.77 0.74 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.34 1ug8 h LEU 44 N 0.96 -1.08 -0.43 2.94 3.38 0.35 0.44 115.31 121.88 1ug8 h LEU 44 Ca 0.24 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.31 1ug8 h LEU 44 Cb 0.09 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1ug8 h LEU 44 CO -0.03 -0.71 -0.53 0.40 0.09 0.00 0.00 178.44 177.66 1ug8 h ILE 45 N -1.14 0.00 -0.23 1.22 2.04 -0.78 0.24 117.51 118.85 1ug8 h ILE 45 Ca -0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1ug8 h ILE 45 Cb 0.90 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1ug8 h ILE 45 CO 0.14 0.00 -0.22 1.88 0.00 0.00 0.00 178.15 179.95 1ug8 h TYR 46 N -0.35 -0.59 -0.46 1.37 0.05 -1.28 0.59 116.97 116.30 1ug8 h TYR 46 Ca 0.07 0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.98 1ug8 h TYR 46 Cb 0.55 0.29 -0.10 0.00 1.01 0.00 0.00 36.73 38.49 1ug8 h TYR 46 CO -0.74 -0.30 -0.35 1.96 -1.05 0.00 0.00 178.16 177.68 1ug8 h GLN 47 N -0.23 -0.23 0.17 4.88 4.20 0.13 0.81 115.11 124.84 1ug8 h GLN 47 Ca 0.13 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1ug8 h GLN 47 Cb 0.44 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ug8 h GLN 47 CO -0.37 -0.15 -0.11 1.15 -0.67 0.00 0.00 178.83 178.68 1ug8 h THR 48 N -0.23 0.00 -0.79 -0.54 2.02 0.11 -1.51 112.91 111.97 1ug8 h THR 48 Ca 0.19 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.59 1ug8 h THR 48 Cb 0.55 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1ug8 h THR 48 CO -0.59 0.00 0.87 -0.07 0.37 0.00 0.00 175.52 176.10 1ug8 h LEU 49 N -0.26 0.00 -0.96 2.58 3.38 -0.61 1.85 115.31 121.28 1ug8 h LEU 49 Ca -0.02 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1ug8 h LEU 49 Cb 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 1ug8 h LEU 49 CO 0.02 0.00 0.59 -1.28 0.09 0.00 0.00 178.44 177.85 1ug8 h SER 50 N 0.00 0.84 0.00 -0.43 0.87 0.17 0.61 113.55 115.61 1ug8 h SER 50 Ca 0.37 0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.82 1ug8 h SER 50 Cb 2.11 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.93 1ug8 h SER 50 CO -0.00 0.43 -1.64 -2.67 -0.53 0.00 0.00 176.83 172.42 1ug8 n TRP 51 N -4.68 0.00 0.04 2.24 4.27 0.31 -3.68 117.44 115.95 1ug8 n TRP 51 Ca 0.18 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.83 1ug8 n TRP 51 Cb 0.37 -0.45 0.43 0.00 -1.36 0.00 0.00 31.31 30.29 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 0.45 -0.91 -2.67 1.57 0.24 -3.38 116.57 111.88 1ug8 h LYS 52 Ca -0.25 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1ug8 h LYS 52 Cb 1.53 -0.09 -0.17 0.00 0.08 0.00 0.00 32.23 33.58 1ug8 h LYS 52 CO 0.00 0.35 -0.43 0.71 -0.57 0.00 0.00 179.45 179.51 1ug8 s TYR 53 N -5.29 -1.51 0.14 -1.35 2.02 0.21 -4.94 117.35 106.62 1ug8 s TYR 53 Ca -0.07 -0.22 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1ug8 s TYR 53 Cb 0.17 0.29 -0.07 0.00 -0.40 0.00 0.00 41.96 41.95 1ug8 s TYR 53 CO 0.73 -1.12 1.33 -1.00 -1.57 0.00 0.00 175.55 173.92 1ug8 h PRO 54 N 5.66 0.46 -3.27 -1.71 0.13 -1.60 -3.41 132.00 128.26 1ug8 h PRO 54 Ca 0.05 -0.45 -0.50 0.00 -0.87 0.00 0.00 66.00 64.23 1ug8 h PRO 54 Cb 1.14 0.12 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 1ug8 h PRO 54 CO 0.03 1.10 -0.76 -1.59 -0.23 0.00 0.00 178.00 176.55 1ug8 s LYS 55 N -3.41 0.37 0.00 0.86 -2.85 -1.26 -4.87 119.74 108.58 1ug8 s LYS 55 Ca -0.06 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 1ug8 s LYS 55 Cb 0.09 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.96 1ug8 s LYS 55 CO 0.87 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 176.02 1ug8 n GLY 56 N 5.15 0.36 2.49 0.59 0.00 -1.26 -5.02 105.19 107.49 1ug8 n GLY 56 Ca -0.08 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1ug8 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ug8 n ILE 57 N 0.00 0.00 -3.72 -0.61 -0.00 -1.26 -0.86 119.36 112.90 1ug8 n ILE 57 Ca 0.00 -1.73 -0.24 0.00 -0.00 0.00 0.00 62.75 60.78 1ug8 n ILE 57 Cb 0.00 0.54 -0.17 0.00 -0.00 0.00 0.00 39.64 40.01 1ug8 n ILE 57 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1ug8 s HIS 58 N -2.57 0.60 -0.05 4.28 5.65 -0.33 -4.71 115.29 118.16 1ug8 s HIS 58 Ca 0.11 -0.30 -0.19 0.00 0.25 0.00 0.00 55.06 54.93 1ug8 s HIS 58 Cb 0.01 -0.80 -0.05 0.00 -1.18 0.00 0.00 32.58 30.56 1ug8 s HIS 58 CO 0.08 -0.41 0.52 0.08 -0.65 0.00 0.00 174.74 174.36 1ug8 s VAL 59 N 2.00 5.04 0.03 0.89 1.01 -1.26 -0.51 120.40 127.59 1ug8 s VAL 59 Ca 0.03 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1ug8 s VAL 59 Cb -0.14 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1ug8 s VAL 59 CO -0.06 0.41 -0.00 -1.83 0.00 0.00 0.00 175.10 173.62 1ug8 s GLU 60 N -0.04 0.45 -0.39 2.72 -1.05 0.21 -4.97 118.70 115.62 1ug8 s GLU 60 Ca 0.28 -0.81 -0.05 0.00 -0.15 0.00 0.00 54.97 54.24 1ug8 s GLU 60 Cb -0.17 0.16 0.08 0.00 -0.44 0.00 0.00 34.13 33.77 1ug8 s GLU 60 CO 0.14 -0.09 0.18 0.99 0.95 0.00 0.00 175.26 177.44 1ug8 s THR 61 N -2.36 3.63 0.20 1.83 2.01 -1.26 0.71 115.64 120.39 1ug8 s THR 61 Ca -0.07 -1.63 0.06 0.00 0.31 0.00 0.00 61.69 60.36 1ug8 s THR 61 Cb -0.03 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1ug8 s THR 61 CO -0.04 -0.49 0.14 -0.76 -0.69 0.00 0.00 174.62 172.79 1ug8 s LEU 62 N 1.29 3.75 -0.01 4.42 1.43 -0.39 -4.86 118.68 124.31 1ug8 s LEU 62 Ca 0.03 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 1ug8 s LEU 62 Cb -0.22 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1ug8 s LEU 62 CO -0.01 0.03 -0.20 -0.70 0.23 0.00 0.00 176.35 175.70 1ug8 s GLU 63 N -3.39 1.59 0.02 1.70 -6.30 -1.26 0.12 118.70 111.19 1ug8 s GLU 63 Ca 0.31 -0.72 0.05 0.00 -2.50 0.00 0.00 54.97 52.11 1ug8 s GLU 63 Cb -0.09 -1.55 -0.02 0.00 0.00 0.00 0.00 34.13 32.47 1ug8 s GLU 63 CO 0.23 0.42 -0.15 0.95 0.02 0.00 0.00 175.26 176.74 1ug8 s THR 64 N -0.48 1.17 0.44 -1.70 -4.23 -1.22 -4.86 115.64 104.76 1ug8 s THR 64 Ca 0.08 -0.87 0.12 0.00 -1.18 0.00 0.00 61.69 59.84 1ug8 s THR 64 Cb -0.08 -1.03 0.30 0.00 1.34 0.00 0.00 72.50 73.04 1ug8 s THR 64 CO -0.01 0.15 2.02 -0.78 -0.54 0.00 0.00 174.62 175.47 1ug8 h ASP 65 N 5.26 0.36 0.00 3.99 3.58 -2.01 -0.96 116.42 126.64 1ug8 h ASP 65 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1ug8 h ASP 65 Cb 1.17 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1ug8 h ASP 65 CO 0.46 0.24 0.00 2.29 -2.88 0.00 0.00 179.24 179.34 1ug8 n LYS 66 N -4.47 0.00 -0.00 0.28 2.85 -1.26 -4.62 118.16 110.94 1ug8 n LYS 66 Ca 0.06 0.62 -0.00 0.00 -1.05 0.00 0.00 58.31 57.94 1ug8 n LYS 66 Cb 0.25 -1.28 -0.00 0.00 -0.65 0.00 0.00 35.03 33.35 1ug8 n LYS 66 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1ug8 n LYS 67 N -1.86 0.01 -3.66 -1.58 4.01 -1.14 -5.16 118.16 108.78 1ug8 n LYS 67 Ca 0.00 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1ug8 n LYS 67 Cb 0.00 -0.35 0.00 0.00 -0.51 0.00 0.00 35.03 34.17 1ug8 n LYS 67 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ug8 n GLU 68 N -2.56 -1.01 -1.11 1.97 1.02 -0.38 -4.89 120.64 113.68 1ug8 n GLU 68 Ca -0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1ug8 n GLU 68 Cb 0.01 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.44 1ug8 n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ug8 n ARG 69 N 0.00 0.00 -3.60 3.49 1.74 -1.26 -3.37 116.66 113.67 1ug8 n ARG 69 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1ug8 n ARG 69 Cb 0.00 -0.88 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1ug8 s HIS 70 N -1.70 -0.46 0.30 -1.55 -3.43 0.33 -4.57 115.29 104.22 1ug8 s HIS 70 Ca 0.51 0.94 -0.28 0.00 -0.80 0.00 0.00 55.06 55.42 1ug8 s HIS 70 Cb -0.46 0.40 -0.09 0.00 -1.43 0.00 0.00 32.58 31.00 1ug8 s HIS 70 CO 0.57 -0.33 1.09 0.42 -2.00 0.00 0.00 174.74 174.50 1ug8 s ILE 71 N -0.54 3.51 -0.01 -5.38 1.01 -1.26 -1.27 121.20 117.27 1ug8 s ILE 71 Ca -0.01 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1ug8 s ILE 71 Cb -0.02 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1ug8 s ILE 71 CO -0.01 0.30 -0.01 -0.69 0.00 0.00 0.00 174.94 174.54 1ug8 s VAL 72 N -1.25 0.10 0.14 2.92 1.01 0.22 -1.82 120.40 121.72 1ug8 s VAL 72 Ca 0.47 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.51 1ug8 s VAL 72 Cb -0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1ug8 s VAL 72 CO 0.39 0.06 0.01 -0.63 0.00 0.00 0.00 175.10 174.93 1ug8 s ILE 73 N 0.27 3.91 0.08 2.22 1.09 0.16 0.65 121.20 129.58 1ug8 s ILE 73 Ca -0.02 -1.20 0.01 0.00 -1.10 0.00 0.00 60.65 58.34 1ug8 s ILE 73 Cb -0.04 -2.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.40 1ug8 s ILE 73 CO -0.01 -0.01 -0.06 -0.55 -0.10 0.00 0.00 174.94 174.22 1ug8 s SER 74 N -2.67 0.98 -0.09 3.58 0.15 0.33 0.29 113.70 116.29 1ug8 s SER 74 Ca 0.27 -0.98 -0.29 0.00 0.70 0.00 0.00 55.95 55.65 1ug8 s SER 74 Cb -0.10 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.30 1ug8 s SER 74 CO 0.19 -0.48 0.95 -0.54 1.20 0.00 0.00 173.24 174.56 1ug8 s LYS 75 N -3.72 4.44 0.24 5.44 1.02 -0.13 -1.19 119.74 125.84 1ug8 s LYS 75 Ca 0.10 1.31 0.06 0.00 0.02 0.00 0.00 55.97 57.45 1ug8 s LYS 75 Cb 0.05 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 1ug8 s LYS 75 CO -0.06 -0.23 -0.07 0.08 -0.92 0.00 0.00 175.35 174.15 1ug8 s VAL 76 N 1.71 1.51 0.02 3.17 1.01 -0.04 -4.81 120.40 122.97 1ug8 s VAL 76 Ca 0.47 -2.13 -0.27 0.00 0.00 0.00 0.00 61.98 60.05 1ug8 s VAL 76 Cb -0.19 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 33.99 1ug8 s VAL 76 CO 0.19 -0.42 0.62 -0.62 0.00 0.00 0.00 175.10 174.88 1ug8 s ASP 77 N -3.36 -0.59 -0.03 3.32 2.15 -1.26 -4.51 116.67 112.40 1ug8 s ASP 77 Ca 0.26 0.44 -0.11 0.00 0.43 0.00 0.00 52.55 53.57 1ug8 s ASP 77 Cb 0.03 0.54 -0.06 0.00 -0.30 0.00 0.00 42.92 43.13 1ug8 s ASP 77 CO 0.09 -0.71 0.55 -0.33 -0.17 0.00 0.00 175.17 174.59 1ug8 h GLU 78 N 2.75 -0.37 -0.96 4.34 5.08 -1.94 -2.79 114.58 120.69 1ug8 h GLU 78 Ca -0.29 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1ug8 h GLU 78 Cb 1.19 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.41 1ug8 h GLU 78 CO 0.39 -0.25 -0.56 0.93 -1.00 0.00 0.00 179.01 178.52 1ug8 h GLU 79 N -0.84 -0.03 -0.34 2.33 4.39 -2.00 0.41 114.58 118.50 1ug8 h GLU 79 Ca -0.04 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.71 1ug8 h GLU 79 Cb 0.30 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 1ug8 h GLU 79 CO 0.07 -0.02 -0.52 1.49 -1.16 0.00 0.00 179.01 178.87 1ug8 h GLU 80 N -0.03 -0.41 -6.08 2.33 4.81 -1.99 -3.39 114.58 109.82 1ug8 h GLU 80 Ca 0.18 0.03 -0.68 0.00 -0.13 0.00 0.00 59.36 58.76 1ug8 h GLU 80 Cb 0.45 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1ug8 h GLU 80 CO -0.92 -0.27 1.23 -2.13 -0.73 0.00 0.00 179.01 176.19 1ug8 n ARG 81 N -5.40 1.32 -0.01 1.92 0.63 0.13 -4.80 116.66 110.46 1ug8 n ARG 81 Ca -0.03 0.43 0.05 0.00 -0.92 0.00 0.00 57.85 57.37 1ug8 n ARG 81 Cb 0.36 -2.42 0.43 0.00 0.45 0.00 0.00 32.46 31.27 1ug8 n ARG 81 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ug8 h SER 82 N 10.56 0.46 0.00 6.15 4.64 -1.80 -3.47 113.55 130.09 1ug8 h SER 82 Ca -0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ug8 h SER 82 Cb 1.31 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ug8 h SER 82 CO 0.99 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.89 1ug8 n GLY 83 N -1.48 0.32 3.81 -0.77 0.00 -1.26 -5.03 105.19 100.77 1ug8 n GLY 83 Ca 0.04 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.84 2.12 0.06 1.61 0.04 -1.26 -4.99 135.00 131.74 1ug8 s PRO 84 Ca 0.00 0.65 -0.23 0.00 0.04 0.00 0.00 61.00 61.46 1ug8 s PRO 84 Cb 0.00 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 1ug8 s PRO 84 CO 0.00 -1.60 1.36 0.77 0.04 0.00 0.00 177.00 177.57 1ug8 h SER 85 N -1.07 -0.94 -0.76 6.66 0.02 -2.05 -2.93 113.55 112.47 1ug8 h SER 85 Ca -0.47 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 60.63 1ug8 h SER 85 Cb 1.27 0.32 -0.09 0.00 0.14 0.00 0.00 62.40 64.04 1ug8 h SER 85 CO 0.59 -0.42 -0.45 -0.24 -1.14 0.00 0.00 176.83 175.18 1ug8 n SER 86 N -4.39 -0.81 0.00 3.07 2.88 -1.26 -5.21 113.62 107.90 1ug8 n SER 86 Ca -0.07 1.57 0.00 0.00 -1.33 0.00 0.00 58.87 59.04 1ug8 n SER 86 Cb 0.29 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1ug8 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42