#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 4.62 -0.03 1.61 0.01 -1.26 -5.03 113.70 113.62 1ug8 s SER 2 Ca 0.00 -3.56 0.06 0.00 1.31 0.00 0.00 55.95 53.76 1ug8 s SER 2 Cb 0.00 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 1ug8 s SER 2 CO 0.00 -0.14 -0.21 -0.44 0.41 0.00 0.00 173.24 172.87 1ug8 s SER 3 N -1.04 2.45 -0.09 2.44 0.01 -1.26 -5.06 113.70 111.16 1ug8 s SER 3 Ca 0.22 -0.39 -0.08 0.00 1.31 0.00 0.00 55.95 57.02 1ug8 s SER 3 Cb -0.12 -0.39 -0.06 0.00 0.21 0.00 0.00 66.02 65.66 1ug8 s SER 3 CO -0.11 0.24 0.28 1.23 0.41 0.00 0.00 173.24 175.29 1ug8 h GLY 4 N 5.78 -0.13 -0.81 3.44 0.00 -1.97 0.88 103.07 110.26 1ug8 h GLY 4 Ca -0.37 0.05 0.40 0.00 0.00 0.00 0.00 47.33 47.41 1ug8 h GLY 4 CO 0.48 -0.05 0.95 0.23 0.00 0.00 0.00 176.54 178.15 1ug8 h SER 5 N -1.02 0.11 0.04 0.19 0.87 -2.01 0.13 113.55 111.85 1ug8 h SER 5 Ca -0.01 0.04 -0.32 0.00 -1.23 0.00 0.00 61.79 60.26 1ug8 h SER 5 Cb 0.24 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 1ug8 h SER 5 CO 0.02 -0.02 -1.80 -0.24 -0.53 0.00 0.00 176.83 174.26 1ug8 n SER 6 N -4.28 1.96 -0.13 6.23 2.88 -1.24 -4.11 113.62 114.94 1ug8 n SER 6 Ca 0.32 0.30 0.27 0.00 -1.33 0.00 0.00 58.87 58.43 1ug8 n SER 6 Cb 1.40 -0.86 0.63 0.00 -0.75 0.00 0.00 64.21 64.62 1ug8 n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ug8 h GLY 7 N -0.14 0.00 0.55 0.46 0.00 0.33 0.92 103.07 105.19 1ug8 h GLY 7 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1ug8 h GLY 7 CO -0.15 0.00 -0.26 -1.80 0.00 0.00 0.00 176.54 174.32 1ug8 h ASP 8 N 0.00 -0.63 0.62 0.19 3.58 -1.14 -2.86 116.42 116.19 1ug8 h ASP 8 Ca 0.40 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.83 1ug8 h ASP 8 Cb 2.14 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 43.34 1ug8 h ASP 8 CO -0.00 -0.31 -0.21 0.06 -2.88 0.00 0.00 179.24 175.89 1ug8 h GLN 9 N -1.01 0.00 -0.93 0.28 3.07 -1.04 -2.57 115.11 112.90 1ug8 h GLN 9 Ca -0.08 0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.75 1ug8 h GLN 9 Cb 0.57 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.06 1ug8 h GLN 9 CO 0.12 0.21 0.60 -0.22 0.09 0.00 0.00 178.83 179.64 1ug8 h LYS 10 N 0.00 0.95 -0.19 0.06 3.64 0.78 0.75 116.57 122.56 1ug8 h LYS 10 Ca -0.00 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.11 1ug8 h LYS 10 Cb 0.58 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1ug8 h LYS 10 CO 0.03 0.63 -0.72 0.87 -2.27 0.00 0.00 179.45 177.99 1ug8 h LYS 11 N 0.98 0.82 0.35 1.90 1.57 -1.22 -1.77 116.57 119.20 1ug8 h LYS 11 Ca 0.43 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1ug8 h LYS 11 Cb 0.34 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1ug8 h LYS 11 CO -0.19 1.24 -0.17 0.35 -0.57 0.00 0.00 179.45 180.11 1ug8 h PHE 12 N 0.58 -0.44 -0.15 -1.35 3.04 -1.01 -0.84 116.94 116.77 1ug8 h PHE 12 Ca -0.04 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.94 1ug8 h PHE 12 Cb 1.34 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.96 1ug8 h PHE 12 CO 0.08 -0.17 -0.10 0.97 -2.02 0.00 0.00 178.31 177.08 1ug8 h ILE 13 N -0.66 0.71 -0.22 1.41 6.09 0.36 -1.87 117.51 123.31 1ug8 h ILE 13 Ca -0.05 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.50 1ug8 h ILE 13 Cb 0.47 0.71 -0.07 0.00 0.47 0.00 0.00 36.82 38.39 1ug8 h ILE 13 CO 0.08 0.00 -0.39 0.44 -3.07 0.00 0.00 178.15 175.21 1ug8 h ASP 14 N -0.10 -1.25 -1.02 2.19 3.32 -1.27 0.33 116.42 118.62 1ug8 h ASP 14 Ca 0.09 0.18 0.29 0.00 0.02 0.00 0.00 57.03 57.61 1ug8 h ASP 14 Cb 0.23 0.53 -0.13 0.00 0.22 0.00 0.00 39.33 40.18 1ug8 h ASP 14 CO -0.21 -0.39 0.60 1.56 -1.72 0.00 0.00 179.24 179.08 1ug8 h GLN 15 N -0.41 0.41 -0.08 3.56 4.20 -0.60 0.38 115.11 122.56 1ug8 h GLN 15 Ca 0.10 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1ug8 h GLN 15 Cb 0.59 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1ug8 h GLN 15 CO -0.45 0.27 -0.06 0.28 -0.67 0.00 0.00 178.83 178.21 1ug8 h VAL 16 N 0.42 1.34 -0.97 -0.54 2.07 0.21 -3.10 116.25 115.67 1ug8 h VAL 16 Ca 0.69 -1.13 0.20 0.00 0.82 0.00 0.00 66.70 67.29 1ug8 h VAL 16 Cb 1.53 1.91 -0.18 0.00 -1.52 0.00 0.00 31.29 33.02 1ug8 h VAL 16 CO -0.52 0.32 -0.21 0.40 0.02 0.00 0.00 177.57 177.58 1ug8 h ILE 17 N -0.20 0.03 -0.11 4.57 1.08 0.32 0.51 117.51 123.71 1ug8 h ILE 17 Ca 0.02 -0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 1ug8 h ILE 17 Cb 0.53 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 1ug8 h ILE 17 CO 0.02 0.00 -0.39 -0.33 -0.69 0.00 0.00 178.15 176.76 1ug8 h GLU 18 N 0.00 -0.46 -0.69 2.37 4.39 -1.33 0.51 114.58 119.37 1ug8 h GLU 18 Ca 0.48 0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.35 1ug8 h GLU 18 Cb 0.78 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 29.44 1ug8 h GLU 18 CO -0.99 -0.31 0.20 0.87 -1.16 0.00 0.00 179.01 177.62 1ug8 h LYS 19 N -0.48 0.32 0.49 2.33 1.57 -0.09 0.37 116.57 121.08 1ug8 h LYS 19 Ca 0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1ug8 h LYS 19 Cb 0.61 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1ug8 h LYS 19 CO -0.37 0.21 -0.30 0.82 -0.57 0.00 0.00 179.45 179.24 1ug8 h ILE 20 N 0.33 0.37 -0.02 1.86 2.04 0.67 0.83 117.51 123.60 1ug8 h ILE 20 Ca 0.38 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.27 1ug8 h ILE 20 Cb 0.58 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1ug8 h ILE 20 CO -0.43 0.00 -0.44 -0.33 0.00 0.00 0.00 178.15 176.95 1ug8 h GLU 21 N -0.76 -0.56 -0.75 2.37 5.08 0.12 0.72 114.58 120.80 1ug8 h GLU 21 Ca -0.06 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.51 1ug8 h GLU 21 Cb 0.62 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.88 1ug8 h GLU 21 CO 0.06 -0.37 0.17 0.22 -1.00 0.00 0.00 179.01 178.08 1ug8 h ASP 22 N -0.58 -0.01 -0.54 1.42 3.58 -0.18 0.92 116.42 121.03 1ug8 h ASP 22 Ca 0.05 0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 1ug8 h ASP 22 Cb 0.66 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 1ug8 h ASP 22 CO -0.34 -0.06 0.19 0.15 -2.88 0.00 0.00 179.24 176.31 1ug8 h PHE 23 N 0.25 0.85 -0.20 0.28 3.57 0.73 -2.21 116.94 120.20 1ug8 h PHE 23 Ca 0.43 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.79 1ug8 h PHE 23 Cb 0.75 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1ug8 h PHE 23 CO -0.27 0.71 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.27 1ug8 h LEU 24 N 0.74 0.34 0.44 0.59 3.38 0.35 -2.98 115.31 118.17 1ug8 h LEU 24 Ca 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ug8 h LEU 24 Cb 0.24 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ug8 h LEU 24 CO -0.01 0.54 -0.24 1.56 0.09 0.00 0.00 178.44 180.38 1ug8 h GLN 25 N 0.32 -0.61 -6.89 1.13 1.08 0.13 -3.43 115.11 106.85 1ug8 h GLN 25 Ca 0.06 0.04 -0.57 0.00 -1.45 0.00 0.00 58.65 56.73 1ug8 h GLN 25 Cb 0.50 0.14 0.15 0.00 -0.05 0.00 0.00 27.48 28.22 1ug8 h GLN 25 CO 0.03 -0.41 0.31 0.45 -0.95 0.00 0.00 178.83 178.27 1ug8 n SER 26 N -5.37 1.57 -0.04 1.46 2.88 -0.90 -4.97 113.62 108.25 1ug8 n SER 26 Ca -0.11 0.90 -0.03 0.00 -1.33 0.00 0.00 58.87 58.31 1ug8 n SER 26 Cb 0.28 -1.46 -0.01 0.00 -0.75 0.00 0.00 64.21 62.27 1ug8 n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ug8 n GLU 27 N -0.87 0.22 -0.33 -1.46 1.02 -1.26 -4.40 120.64 113.56 1ug8 n GLU 27 Ca 0.12 0.31 0.18 0.00 -0.02 0.00 0.00 57.16 57.76 1ug8 n GLU 27 Cb 0.45 -1.13 0.36 0.00 -0.02 0.00 0.00 31.44 31.10 1ug8 n GLU 27 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ug8 h GLU 28 N -0.47 0.04 -6.01 3.49 5.08 -1.96 -3.40 114.58 111.36 1ug8 h GLU 28 Ca 0.00 -0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.61 1ug8 h GLU 28 Cb 0.29 -0.01 0.07 0.00 0.50 0.00 0.00 28.75 29.60 1ug8 h GLU 28 CO 0.00 0.03 -0.11 1.63 -1.00 0.00 0.00 179.01 179.56 1ug8 n LYS 29 N -5.39 0.02 -0.01 2.33 5.02 -1.26 -4.86 118.16 114.01 1ug8 n LYS 29 Ca 0.26 0.01 -0.02 0.00 -2.02 0.00 0.00 58.31 56.55 1ug8 n LYS 29 Cb 0.87 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 34.51 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 1.36 0.62 -3.78 1.97 3.00 -1.26 -4.94 116.66 113.62 1ug8 n ARG 30 Ca 0.19 0.01 -0.13 0.00 -0.00 0.00 0.00 57.85 57.93 1ug8 n ARG 30 Cb 0.13 -1.05 -0.12 0.00 0.00 0.00 0.00 32.46 31.42 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 -4.10 -0.22 0.16 6.15 1.04 -1.26 -0.76 113.70 114.72 1ug8 s SER 31 Ca -0.03 0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.88 1ug8 s SER 31 Cb 0.01 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1ug8 s SER 31 CO 0.06 -0.10 0.17 -0.22 0.98 0.00 0.00 173.24 174.14 1ug8 s LEU 32 N 0.44 3.94 -0.13 2.42 2.96 0.28 -4.92 118.68 123.66 1ug8 s LEU 32 Ca -0.03 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1ug8 s LEU 32 Cb -0.04 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1ug8 s LEU 32 CO -0.02 0.06 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.28 1ug8 s GLU 33 N -3.14 2.62 0.44 1.98 2.02 -1.26 0.21 118.70 121.57 1ug8 s GLU 33 Ca 0.32 -0.70 0.08 0.00 0.02 0.00 0.00 54.97 54.69 1ug8 s GLU 33 Cb -0.10 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 31.96 1ug8 s GLU 33 CO 0.25 -0.07 0.60 -0.51 0.02 0.00 0.00 175.26 175.54 1ug8 s LEU 34 N 1.00 3.56 0.50 1.80 1.43 -0.16 -5.01 118.68 121.80 1ug8 s LEU 34 Ca -0.05 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 1ug8 s LEU 34 Cb -0.15 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 43.51 1ug8 s LEU 34 CO -0.04 -0.85 1.00 1.51 0.23 0.00 0.00 176.35 178.20 1ug8 s ASP 35 N -4.40 6.52 -0.21 2.29 1.47 -1.26 -4.26 116.67 116.82 1ug8 s ASP 35 Ca 0.56 1.72 -0.29 0.00 1.18 0.00 0.00 52.55 55.71 1ug8 s ASP 35 Cb -0.09 -2.53 -0.01 0.00 -0.34 0.00 0.00 42.92 39.95 1ug8 s ASP 35 CO 0.34 -0.66 1.30 -2.16 0.68 0.00 0.00 175.17 174.67 1ug8 s PRO 36 N -3.65 4.10 0.53 2.11 0.04 -1.26 -4.29 135.00 132.58 1ug8 s PRO 36 Ca 0.62 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 1ug8 s PRO 36 Cb -0.12 -3.82 -0.06 0.00 0.04 0.00 0.00 34.50 30.55 1ug8 s PRO 36 CO 0.25 -0.88 0.93 0.00 0.04 0.00 0.00 177.00 177.34 1ug8 h THR 38 N 0.39 0.70 0.00 0.00 1.03 -1.96 -3.46 112.91 109.62 1ug8 h THR 38 Ca -0.46 -1.58 0.00 0.00 -0.01 0.00 0.00 66.41 64.36 1ug8 h THR 38 Cb 1.19 2.04 0.00 0.00 -1.07 0.00 0.00 68.15 70.31 1ug8 h THR 38 CO 0.62 0.34 0.00 0.61 -0.01 0.00 0.00 175.52 177.08 1ug8 n GLY 39 N 0.59 0.70 0.32 2.99 0.00 -1.26 -4.99 105.19 103.54 1ug8 n GLY 39 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.99 -0.90 1.61 3.57 -2.01 -1.76 116.94 116.46 1ug8 h PHE 40 Ca 0.00 0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.74 1ug8 h PHE 40 Cb 0.00 0.41 -0.12 0.00 2.79 0.00 0.00 35.95 39.03 1ug8 h PHE 40 CO 0.00 -0.41 0.41 1.96 -2.23 0.00 0.00 178.31 178.04 1ug8 h GLN 41 N -0.55 0.41 -0.43 1.11 7.50 -1.95 0.58 115.11 121.78 1ug8 h GLN 41 Ca -0.02 -0.02 0.09 0.00 0.50 0.00 0.00 58.65 59.20 1ug8 h GLN 41 Cb 0.53 -0.09 -0.09 0.00 0.05 0.00 0.00 27.48 27.87 1ug8 h GLN 41 CO -0.15 0.27 -0.26 -0.09 -1.50 0.00 0.00 178.83 177.10 1ug8 h ARG 42 N 0.43 -0.17 -0.92 1.46 2.43 -1.68 0.24 114.38 116.16 1ug8 h ARG 42 Ca 0.56 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.79 1ug8 h ARG 42 Cb 1.05 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 1ug8 h ARG 42 CO -0.51 -0.12 0.59 0.87 -1.51 0.00 0.00 179.97 179.29 1ug8 h LYS 43 N -0.18 1.08 -0.01 0.20 1.57 -0.28 -2.14 116.57 116.81 1ug8 h LYS 43 Ca 0.20 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1ug8 h LYS 43 Cb 0.50 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1ug8 h LYS 43 CO -0.54 0.71 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.66 1ug8 h LEU 44 N 1.11 -0.98 -0.22 2.94 3.38 0.10 0.81 115.31 122.46 1ug8 h LEU 44 Ca 0.39 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.52 1ug8 h LEU 44 Cb 0.09 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1ug8 h LEU 44 CO -0.15 -0.39 -0.54 0.40 0.09 0.00 0.00 178.44 177.86 1ug8 h ILE 45 N -0.47 0.01 -0.88 1.22 2.04 -0.40 0.56 117.51 119.59 1ug8 h ILE 45 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.04 1ug8 h ILE 45 Cb 0.56 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 1ug8 h ILE 45 CO -0.27 0.00 0.57 1.88 0.00 0.00 0.00 178.15 180.32 1ug8 h TYR 46 N -0.52 0.88 -0.15 1.37 0.05 -0.93 0.36 116.97 118.04 1ug8 h TYR 46 Ca 0.05 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1ug8 h TYR 46 Cb 0.66 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1ug8 h TYR 46 CO -0.62 0.38 0.07 1.96 -1.05 0.00 0.00 178.16 178.90 1ug8 h GLN 47 N 0.80 0.21 0.62 4.88 4.20 0.34 0.34 115.11 126.50 1ug8 h GLN 47 Ca 0.42 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.07 1ug8 h GLN 47 Cb 0.52 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1ug8 h GLN 47 CO -0.18 0.26 -0.30 1.15 -0.67 0.00 0.00 178.83 179.09 1ug8 h THR 48 N 0.11 0.08 -0.21 -0.54 2.02 0.10 -2.72 112.91 111.76 1ug8 h THR 48 Ca 0.05 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 66.91 1ug8 h THR 48 Cb 0.12 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1ug8 h THR 48 CO -0.01 0.01 0.50 -0.07 0.37 0.00 0.00 175.52 176.33 1ug8 h LEU 49 N -1.19 0.00 -0.86 2.58 3.38 -0.36 1.68 115.31 120.54 1ug8 h LEU 49 Ca -0.09 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1ug8 h LEU 49 Cb 0.66 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1ug8 h LEU 49 CO 0.14 0.00 0.50 -1.28 0.09 0.00 0.00 178.44 177.89 1ug8 h SER 50 N 0.00 0.73 0.00 -0.43 0.87 -0.58 0.38 113.55 114.52 1ug8 h SER 50 Ca 0.10 0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.53 1ug8 h SER 50 Cb 1.10 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1ug8 h SER 50 CO -0.00 0.41 -1.66 -2.67 -0.53 0.00 0.00 176.83 172.38 1ug8 n TRP 51 N -4.72 0.00 -0.22 2.24 4.27 0.12 -3.61 117.44 115.52 1ug8 n TRP 51 Ca 0.15 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.76 1ug8 n TRP 51 Cb 0.29 -0.47 0.24 0.00 -1.36 0.00 0.00 31.31 30.01 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 1.00 -1.10 -2.67 1.57 0.23 -3.37 116.57 112.22 1ug8 h LYS 52 Ca -0.26 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.27 1ug8 h LYS 52 Cb 1.56 -0.22 -0.18 0.00 0.08 0.00 0.00 32.23 33.46 1ug8 h LYS 52 CO 0.00 0.66 -0.53 0.66 -0.57 0.00 0.00 179.45 179.67 1ug8 n TYR 53 N -4.42 -3.62 -0.02 -1.35 4.01 0.13 -4.95 117.16 106.94 1ug8 n TYR 53 Ca 0.08 -1.51 -0.16 0.00 -0.16 0.00 0.00 57.90 56.15 1ug8 n TYR 53 Cb 0.04 1.39 -0.10 0.00 -0.31 0.00 0.00 39.34 40.36 1ug8 n TYR 53 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ug8 h PRO 54 N 5.04 0.35 -4.17 -0.72 0.13 -1.57 -3.42 132.00 127.64 1ug8 h PRO 54 Ca 0.08 -0.33 -0.52 0.00 -0.87 0.00 0.00 66.00 64.35 1ug8 h PRO 54 Cb 1.09 0.09 -0.37 0.00 0.13 0.00 0.00 31.00 31.94 1ug8 h PRO 54 CO 0.04 1.01 -0.80 -1.59 -0.23 0.00 0.00 178.00 176.43 1ug8 s LYS 55 N -3.35 1.43 0.00 0.86 -2.85 -1.26 -4.78 119.74 109.79 1ug8 s LYS 55 Ca -0.14 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 54.62 1ug8 s LYS 55 Cb 0.03 -1.52 0.00 0.00 -2.06 0.00 0.00 37.83 34.28 1ug8 s LYS 55 CO 0.79 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 176.38 1ug8 n GLY 56 N 4.95 1.69 3.27 0.59 0.00 -1.26 -5.05 105.19 109.38 1ug8 n GLY 56 Ca -0.12 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 1.05 -0.20 -0.61 -5.25 -1.26 -1.22 121.20 113.71 1ug8 s ILE 57 Ca 0.00 -2.04 0.00 0.00 -0.99 0.00 0.00 60.65 57.63 1ug8 s ILE 57 Cb 0.00 -2.01 0.05 0.00 2.95 0.00 0.00 42.46 43.45 1ug8 s ILE 57 CO 0.00 -0.61 -0.08 -2.28 -1.79 0.00 0.00 174.94 170.18 1ug8 s HIS 58 N -3.41 2.21 -0.20 1.37 2.46 -0.63 -4.83 115.29 112.25 1ug8 s HIS 58 Ca 0.20 -1.48 -0.16 0.00 0.47 0.00 0.00 55.06 54.10 1ug8 s HIS 58 Cb 0.04 -1.53 -0.04 0.00 -0.13 0.00 0.00 32.58 30.92 1ug8 s HIS 58 CO 0.03 -0.71 0.40 0.08 -2.47 0.00 0.00 174.74 172.06 1ug8 s VAL 59 N 1.46 5.20 0.09 0.89 1.01 -1.26 -0.87 120.40 126.93 1ug8 s VAL 59 Ca -0.02 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.73 1ug8 s VAL 59 Cb -0.16 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ug8 s VAL 59 CO -0.08 0.25 -0.15 -1.83 0.00 0.00 0.00 175.10 173.30 1ug8 s GLU 60 N 1.29 0.93 -0.41 2.72 1.03 0.20 -4.95 118.70 119.51 1ug8 s GLU 60 Ca 0.19 -1.09 -0.10 0.00 0.03 0.00 0.00 54.97 54.00 1ug8 s GLU 60 Cb -0.15 -0.90 0.07 0.00 -0.80 0.00 0.00 34.13 32.35 1ug8 s GLU 60 CO 0.08 0.19 0.25 0.99 -1.33 0.00 0.00 175.26 175.44 1ug8 s THR 61 N -1.63 4.31 -0.07 1.83 2.01 -1.26 0.67 115.64 121.50 1ug8 s THR 61 Ca 0.03 -1.29 -0.07 0.00 0.31 0.00 0.00 61.69 60.68 1ug8 s THR 61 Cb -0.08 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1ug8 s THR 61 CO 0.03 -0.46 0.18 -0.76 -0.69 0.00 0.00 174.62 172.92 1ug8 s LEU 62 N 1.45 4.39 -0.07 4.42 1.43 -0.28 -4.85 118.68 125.17 1ug8 s LEU 62 Ca 0.03 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1ug8 s LEU 62 Cb -0.22 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1ug8 s LEU 62 CO 0.03 0.36 -0.19 -0.70 0.23 0.00 0.00 176.35 176.08 1ug8 s GLU 63 N -1.29 2.30 0.00 1.70 2.12 -1.25 0.55 118.70 122.83 1ug8 s GLU 63 Ca 0.19 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1ug8 s GLU 63 Cb -0.13 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1ug8 s GLU 63 CO 0.09 0.15 0.00 0.25 -0.54 0.00 0.00 175.26 175.21 1ug8 n THR 64 N 3.51 0.00 -0.05 -1.70 -2.24 -1.23 -4.83 114.28 107.73 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 1.23 -0.06 3.42 2.03 -1.26 -4.00 116.55 117.91 1ug8 n ASP 65 Ca 0.00 0.44 -0.17 0.00 0.52 0.00 0.00 54.79 55.57 1ug8 n ASP 65 Cb 0.00 -0.73 -0.13 0.00 -0.72 0.00 0.00 41.12 39.54 1ug8 n ASP 65 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ug8 n LYS 66 N -3.83 0.69 0.06 -0.67 2.85 -1.26 -4.16 118.16 111.84 1ug8 n LYS 66 Ca -0.06 0.19 0.01 0.00 -1.05 0.00 0.00 58.31 57.40 1ug8 n LYS 66 Cb 0.22 -1.62 0.35 0.00 -0.65 0.00 0.00 35.03 33.33 1ug8 n LYS 66 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1ug8 h LYS 67 N 0.03 0.39 0.00 -1.58 1.57 -1.97 -3.47 116.57 111.53 1ug8 h LYS 67 Ca -0.49 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1ug8 h LYS 67 Cb 2.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1ug8 h LYS 67 CO 0.01 0.45 0.00 -0.85 -0.57 0.00 0.00 179.45 178.49 1ug8 n GLU 68 N -4.29 0.00 -1.55 3.15 0.28 -1.26 -3.63 120.64 113.33 1ug8 n GLU 68 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.87 1ug8 n GLU 68 Cb 0.24 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.02 1ug8 n GLU 68 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1ug8 n ARG 69 N -0.26 0.47 -4.56 3.44 0.63 -1.23 -3.55 116.66 111.61 1ug8 n ARG 69 Ca 0.00 -0.80 -0.30 0.00 -0.92 0.00 0.00 57.85 55.83 1ug8 n ARG 69 Cb 0.00 -3.41 -0.12 0.00 0.45 0.00 0.00 32.46 29.38 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 13.32 2.53 0.32 -0.14 -3.43 0.19 -4.46 115.29 123.62 1ug8 s HIS 70 Ca 0.96 -0.27 -0.28 0.00 -0.80 0.00 0.00 55.06 54.68 1ug8 s HIS 70 Cb -0.21 -1.42 -0.09 0.00 -1.43 0.00 0.00 32.58 29.43 1ug8 s HIS 70 CO 0.14 0.29 1.08 0.42 -2.00 0.00 0.00 174.74 174.67 1ug8 s ILE 71 N -0.99 3.55 -0.01 -5.38 1.01 -1.26 -1.13 121.20 117.00 1ug8 s ILE 71 Ca 0.15 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1ug8 s ILE 71 Cb -0.10 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.50 1ug8 s ILE 71 CO 0.06 0.26 -0.01 -0.69 0.00 0.00 0.00 174.94 174.56 1ug8 s VAL 72 N -1.31 0.16 0.06 2.92 1.01 0.21 -0.99 120.40 122.46 1ug8 s VAL 72 Ca 0.48 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.49 1ug8 s VAL 72 Cb -0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1ug8 s VAL 72 CO 0.37 0.09 -0.01 -0.63 0.00 0.00 0.00 175.10 174.92 1ug8 s ILE 73 N 0.41 4.01 0.08 2.22 1.09 0.13 0.63 121.20 129.77 1ug8 s ILE 73 Ca -0.04 -0.87 0.02 0.00 -1.10 0.00 0.00 60.65 58.66 1ug8 s ILE 73 Cb -0.06 -2.87 -0.04 0.00 -1.06 0.00 0.00 42.46 38.43 1ug8 s ILE 73 CO -0.01 0.21 -0.07 -0.55 -0.10 0.00 0.00 174.94 174.43 1ug8 s SER 74 N -2.03 1.00 -0.10 3.58 0.15 -0.05 0.99 113.70 117.25 1ug8 s SER 74 Ca 0.23 -0.88 -0.29 0.00 0.70 0.00 0.00 55.95 55.71 1ug8 s SER 74 Cb -0.12 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1ug8 s SER 74 CO 0.15 -0.41 0.98 -0.54 1.20 0.00 0.00 173.24 174.62 1ug8 s LYS 75 N -3.24 4.42 0.22 5.44 3.01 0.06 -1.61 119.74 128.04 1ug8 s LYS 75 Ca 0.06 1.34 0.11 0.00 -1.01 0.00 0.00 55.97 56.46 1ug8 s LYS 75 Cb 0.01 -3.53 -0.05 0.00 -1.01 0.00 0.00 37.83 33.25 1ug8 s LYS 75 CO -0.04 -0.28 -0.21 0.08 0.51 0.00 0.00 175.35 175.41 1ug8 s VAL 76 N 1.89 2.25 0.00 3.17 1.01 -0.36 -4.84 120.40 123.52 1ug8 s VAL 76 Ca 0.47 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 60.32 1ug8 s VAL 76 Cb -0.18 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1ug8 s VAL 76 CO 0.18 -0.28 0.71 -0.67 0.00 0.00 0.00 175.10 175.04 1ug8 n ASP 77 N -0.06 -0.13 0.00 3.32 2.03 -1.26 -4.59 116.55 115.86 1ug8 n ASP 77 Ca -0.10 -1.41 0.00 0.00 0.52 0.00 0.00 54.79 53.80 1ug8 n ASP 77 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1ug8 n ASP 77 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ug8 n GLU 78 N 0.03 0.00 -0.34 -0.67 -0.58 -1.26 0.19 120.64 118.00 1ug8 n GLU 78 Ca -0.05 0.48 0.16 0.00 -0.42 0.00 0.00 57.16 57.34 1ug8 n GLU 78 Cb 0.61 -1.41 0.32 0.00 -0.57 0.00 0.00 31.44 30.38 1ug8 n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ug8 h GLU 79 N 0.00 0.01 0.59 3.49 4.39 -1.95 0.05 114.58 121.17 1ug8 h GLU 79 Ca 0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ug8 h GLU 79 Cb 0.00 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1ug8 h GLU 79 CO 0.00 0.01 -0.28 1.49 -1.16 0.00 0.00 179.01 179.07 1ug8 h GLU 80 N 0.01 -0.76 -7.23 2.33 4.81 -1.90 -3.45 114.58 108.40 1ug8 h GLU 80 Ca 0.62 0.05 -0.51 0.00 -0.13 0.00 0.00 59.36 59.39 1ug8 h GLU 80 Cb 1.33 0.17 0.20 0.00 0.63 0.00 0.00 28.75 31.08 1ug8 h GLU 80 CO -0.91 -0.51 0.15 -2.13 -0.73 0.00 0.00 179.01 174.89 1ug8 n ARG 81 N -4.70 -0.73 -0.01 1.92 0.63 0.50 -4.94 116.66 109.32 1ug8 n ARG 81 Ca -0.10 -0.15 -0.13 0.00 -0.92 0.00 0.00 57.85 56.55 1ug8 n ARG 81 Cb 0.31 -2.33 -0.09 0.00 0.45 0.00 0.00 32.46 30.81 1ug8 n ARG 81 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1ug8 h SER 82 N -2.00 0.07 0.00 6.15 0.02 -1.86 -3.45 113.55 112.48 1ug8 h SER 82 Ca -0.46 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1ug8 h SER 82 Cb 1.28 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1ug8 h SER 82 CO 0.42 0.42 0.00 0.61 -1.14 0.00 0.00 176.83 177.14 1ug8 n GLY 83 N -0.10 1.72 3.76 -3.77 0.00 -1.26 -4.64 105.19 100.90 1ug8 n GLY 83 Ca -0.08 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 -0.62 0.07 1.61 0.04 -1.26 -4.95 135.00 129.89 1ug8 s PRO 84 Ca 0.00 -0.37 -0.37 0.00 0.04 0.00 0.00 61.00 60.31 1ug8 s PRO 84 Cb 0.00 -1.69 -0.19 0.00 0.04 0.00 0.00 34.50 32.65 1ug8 s PRO 84 CO 0.00 -3.26 1.56 1.03 0.04 0.00 0.00 177.00 176.36 1ug8 h SER 85 N -2.25 -1.22 -0.56 6.66 0.87 -2.04 -3.05 113.55 111.96 1ug8 h SER 85 Ca -0.43 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.26 1ug8 h SER 85 Cb 1.25 0.35 -0.10 0.00 -0.44 0.00 0.00 62.40 63.46 1ug8 h SER 85 CO 0.30 -0.76 -0.51 -1.28 -0.53 0.00 0.00 176.83 174.05 1ug8 h SER 86 N -1.22 -1.74 0.00 6.23 0.87 -1.94 -3.53 113.55 112.22 1ug8 h SER 86 Ca -0.11 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1ug8 h SER 86 Cb 0.97 0.75 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 1ug8 h SER 86 CO 0.12 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 176.68