#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 -6.68 -4.81 1.61 2.88 -1.26 -5.03 113.62 100.34 1ug8 n SER 2 Ca 0.00 0.90 -0.24 0.00 -1.33 0.00 0.00 58.87 58.20 1ug8 n SER 2 Cb 0.00 -3.45 -0.05 0.00 -0.75 0.00 0.00 64.21 59.96 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 -0.77 5.50 0.00 -3.46 0.01 -1.26 -5.04 113.70 108.68 1ug8 s SER 3 Ca 0.00 -0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 1ug8 s SER 3 Cb 0.00 -1.41 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 1ug8 s SER 3 CO 0.00 0.02 0.72 1.23 0.41 0.00 0.00 173.24 175.62 1ug8 h GLY 4 N 2.01 -0.09 -0.32 3.44 0.00 -1.98 -1.96 103.07 104.17 1ug8 h GLY 4 Ca -0.48 0.04 0.04 0.00 0.00 0.00 0.00 47.33 46.92 1ug8 h GLY 4 CO 0.62 -0.03 -0.38 1.76 0.00 0.00 0.00 176.54 178.50 1ug8 h SER 5 N -0.12 -1.30 -0.98 0.19 0.02 -1.97 0.81 113.55 110.20 1ug8 h SER 5 Ca -0.01 0.17 0.12 0.00 -0.84 0.00 0.00 61.79 61.23 1ug8 h SER 5 Cb 0.07 0.53 -0.14 0.00 0.14 0.00 0.00 62.40 63.01 1ug8 h SER 5 CO 0.02 -0.26 -0.50 -1.28 -1.14 0.00 0.00 176.83 173.66 1ug8 h SER 6 N -0.25 -1.85 -0.35 3.07 0.87 -1.98 0.88 113.55 113.94 1ug8 h SER 6 Ca 0.05 0.32 0.03 0.00 -1.23 0.00 0.00 61.79 60.97 1ug8 h SER 6 Cb 0.39 0.87 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 1ug8 h SER 6 CO -0.43 -0.26 0.14 1.23 -0.53 0.00 0.00 176.83 176.98 1ug8 h GLY 7 N -0.01 0.45 0.46 5.77 0.00 -0.38 0.49 103.07 109.84 1ug8 h GLY 7 Ca 0.24 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1ug8 h GLY 7 CO -0.95 0.05 -0.31 -0.55 0.00 0.00 0.00 176.54 174.78 1ug8 h ASP 8 N 0.30 -0.90 0.47 0.19 3.32 0.49 0.12 116.42 120.42 1ug8 h ASP 8 Ca 0.15 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1ug8 h ASP 8 Cb 0.11 0.34 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1ug8 h ASP 8 CO -0.14 -0.40 0.00 1.56 -1.72 0.00 0.00 179.24 178.54 1ug8 h GLN 9 N -0.54 0.00 -0.30 3.56 1.08 0.87 -1.34 115.11 118.45 1ug8 h GLN 9 Ca 0.03 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1ug8 h GLN 9 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1ug8 h GLN 9 CO -0.18 0.00 -0.25 -0.22 -0.95 0.00 0.00 178.83 177.23 1ug8 h LYS 10 N 0.00 0.59 -0.00 1.46 3.64 0.26 0.11 116.57 122.62 1ug8 h LYS 10 Ca 0.00 -0.23 -0.25 0.00 -1.27 0.00 0.00 60.65 58.91 1ug8 h LYS 10 Cb 0.24 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1ug8 h LYS 10 CO 0.00 0.78 -0.99 0.87 -2.27 0.00 0.00 179.45 177.85 1ug8 h LYS 11 N 0.51 0.57 0.15 1.90 1.57 -0.37 -2.11 116.57 118.78 1ug8 h LYS 11 Ca 0.07 -0.60 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 1ug8 h LYS 11 Cb 0.70 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1ug8 h LYS 11 CO 0.05 1.22 -0.07 0.35 -0.57 0.00 0.00 179.45 180.43 1ug8 h PHE 12 N 0.32 -0.18 0.27 -1.35 3.04 -1.20 -1.44 116.94 116.40 1ug8 h PHE 12 Ca -0.10 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.84 1ug8 h PHE 12 Cb 1.63 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 40.19 1ug8 h PHE 12 CO 0.08 0.07 -0.20 0.97 -2.02 0.00 0.00 178.31 177.21 1ug8 h ILE 13 N -0.43 0.57 -0.57 1.41 6.09 -0.88 -2.11 117.51 121.60 1ug8 h ILE 13 Ca -0.02 0.00 0.10 0.00 -1.37 0.00 0.00 64.86 63.57 1ug8 h ILE 13 Cb 0.34 0.57 -0.11 0.00 0.47 0.00 0.00 36.82 38.09 1ug8 h ILE 13 CO 0.03 0.00 -0.35 -0.78 -3.07 0.00 0.00 178.15 173.98 1ug8 h ASP 14 N -0.48 -1.21 -0.84 2.19 3.58 -1.37 0.49 116.42 118.78 1ug8 h ASP 14 Ca -0.02 0.23 0.20 0.00 0.42 0.00 0.00 57.03 57.86 1ug8 h ASP 14 Cb 0.42 0.59 -0.12 0.00 1.72 0.00 0.00 39.33 41.93 1ug8 h ASP 14 CO -0.00 -0.31 0.30 1.56 -2.88 0.00 0.00 179.24 177.90 1ug8 h GLN 15 N -0.18 0.32 0.09 0.28 4.20 -0.90 0.97 115.11 119.88 1ug8 h GLN 15 Ca 0.22 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1ug8 h GLN 15 Cb 0.55 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1ug8 h GLN 15 CO -0.67 0.21 -0.04 0.28 -0.67 0.00 0.00 178.83 177.94 1ug8 h VAL 16 N 0.33 0.99 -1.00 -0.54 2.07 0.50 -2.95 116.25 115.65 1ug8 h VAL 16 Ca 0.51 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.90 1ug8 h VAL 16 Cb 0.94 1.16 -0.15 0.00 -1.52 0.00 0.00 31.29 31.73 1ug8 h VAL 16 CO -0.54 0.07 -0.44 -0.38 0.02 0.00 0.00 177.57 176.29 1ug8 n ILE 17 N -5.09 -0.57 -0.33 4.57 2.08 0.43 0.91 119.36 121.36 1ug8 n ILE 17 Ca -0.08 2.35 0.04 0.00 0.56 0.00 0.00 62.75 65.62 1ug8 n ILE 17 Cb 0.12 -3.05 0.11 0.00 -0.75 0.00 0.00 39.64 36.07 1ug8 n ILE 17 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1ug8 h GLU 18 N 0.00 -0.01 -0.47 0.38 4.39 -1.22 1.15 114.58 118.80 1ug8 h GLU 18 Ca 0.29 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1ug8 h GLU 18 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1ug8 h GLU 18 CO -0.97 -0.00 0.29 0.87 -1.16 0.00 0.00 179.01 178.03 1ug8 h LYS 19 N -0.01 0.64 0.38 2.33 1.57 0.52 -1.10 116.57 120.90 1ug8 h LYS 19 Ca 0.43 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1ug8 h LYS 19 Cb 0.66 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1ug8 h LYS 19 CO -0.95 0.46 -0.18 0.82 -0.57 0.00 0.00 179.45 179.03 1ug8 h ILE 20 N 0.63 0.00 -0.93 1.86 2.04 0.27 0.14 117.51 121.52 1ug8 h ILE 20 Ca 0.17 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.14 1ug8 h ILE 20 Cb -0.02 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.93 1ug8 h ILE 20 CO -0.03 0.00 -0.47 -0.62 0.00 0.00 0.00 178.15 177.02 1ug8 n GLU 21 N -3.38 -0.33 0.03 2.37 -0.58 0.30 0.10 120.64 119.14 1ug8 n GLU 21 Ca -0.06 1.42 -0.11 0.00 -0.42 0.00 0.00 57.16 57.98 1ug8 n GLU 21 Cb 0.20 -2.09 -0.04 0.00 -0.57 0.00 0.00 31.44 28.94 1ug8 n GLU 21 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1ug8 h ASP 22 N 0.00 -0.92 -0.92 1.62 3.58 -1.14 0.50 116.42 119.14 1ug8 h ASP 22 Ca 0.22 0.13 0.16 0.00 0.42 0.00 0.00 57.03 57.96 1ug8 h ASP 22 Cb 0.45 0.38 -0.08 0.00 1.72 0.00 0.00 39.33 41.81 1ug8 h ASP 22 CO -0.89 -0.35 0.59 0.15 -2.88 0.00 0.00 179.24 175.85 1ug8 h PHE 23 N -0.41 0.82 -0.06 0.28 3.57 0.28 0.42 116.94 121.83 1ug8 h PHE 23 Ca 0.08 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 1ug8 h PHE 23 Cb 0.53 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1ug8 h PHE 23 CO -0.36 0.27 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.33 1ug8 h LEU 24 N 0.66 0.22 0.52 0.59 3.38 0.26 -3.27 115.31 117.67 1ug8 h LEU 24 Ca 0.47 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1ug8 h LEU 24 Cb 0.82 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1ug8 h LEU 24 CO -0.23 0.76 -0.25 1.56 0.09 0.00 0.00 178.44 180.37 1ug8 h GLN 25 N 0.15 -0.67 -6.33 1.13 1.08 0.41 -3.45 115.11 107.42 1ug8 h GLN 25 Ca -0.00 0.05 -0.60 0.00 -1.45 0.00 0.00 58.65 56.64 1ug8 h GLN 25 Cb 1.08 0.15 0.16 0.00 -0.05 0.00 0.00 27.48 28.81 1ug8 h GLN 25 CO 0.09 -0.39 -0.49 0.45 -0.95 0.00 0.00 178.83 177.54 1ug8 n SER 26 N -5.25 -1.24 -0.08 1.46 2.88 0.36 -4.94 113.62 106.81 1ug8 n SER 26 Ca -0.10 0.84 -0.06 0.00 -1.33 0.00 0.00 58.87 58.22 1ug8 n SER 26 Cb 0.30 -1.10 -0.02 0.00 -0.75 0.00 0.00 64.21 62.64 1ug8 n SER 26 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ug8 n GLU 27 N 0.54 0.47 -0.25 -1.46 0.00 -1.26 -4.41 120.64 114.27 1ug8 n GLU 27 Ca 0.11 0.47 0.04 0.00 0.00 0.00 0.00 57.16 57.78 1ug8 n GLU 27 Cb 0.42 -1.64 0.15 0.00 0.00 0.00 0.00 31.44 30.36 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 -1.00 0.09 -6.07 5.31 4.81 -1.96 -3.41 114.58 112.36 1ug8 h GLU 28 Ca -0.02 -0.01 -0.77 0.00 -0.13 0.00 0.00 59.36 58.43 1ug8 h GLU 28 Cb 0.64 -0.02 0.04 0.00 0.63 0.00 0.00 28.75 30.04 1ug8 h GLU 28 CO -0.01 0.06 0.30 1.63 -0.73 0.00 0.00 179.01 180.26 1ug8 n LYS 29 N -5.35 0.34 -0.02 1.92 5.02 -1.26 -4.84 118.16 113.98 1ug8 n LYS 29 Ca 0.13 0.12 -0.02 0.00 -2.02 0.00 0.00 58.31 56.52 1ug8 n LYS 29 Cb 0.45 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 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 2.35 1.60 -3.73 1.97 5.12 -1.26 -4.93 116.66 117.78 1ug8 n ARG 30 Ca 0.22 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.02 1ug8 n ARG 30 Cb 0.09 -1.07 -0.13 0.00 -1.16 0.00 0.00 32.46 30.19 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 -3.89 -0.22 0.27 0.55 1.04 -1.26 -0.96 113.70 109.23 1ug8 s SER 31 Ca -0.03 0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.89 1ug8 s SER 31 Cb 0.01 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1ug8 s SER 31 CO 0.09 -0.17 0.45 -0.22 0.98 0.00 0.00 173.24 174.37 1ug8 s LEU 32 N 1.28 4.16 -0.06 2.42 2.96 0.16 -4.92 118.68 124.67 1ug8 s LEU 32 Ca -0.09 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1ug8 s LEU 32 Cb -0.11 -3.18 0.02 0.00 0.50 0.00 0.00 46.19 43.42 1ug8 s LEU 32 CO -0.08 -0.15 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.11 1ug8 s GLU 33 N -3.82 1.33 0.36 1.98 2.02 -1.26 -0.59 118.70 118.71 1ug8 s GLU 33 Ca 0.38 -0.27 0.07 0.00 0.02 0.00 0.00 54.97 55.18 1ug8 s GLU 33 Cb -0.10 -1.21 -0.02 0.00 0.10 0.00 0.00 34.13 32.90 1ug8 s GLU 33 CO 0.32 -0.06 0.36 -0.51 0.02 0.00 0.00 175.26 175.39 1ug8 s LEU 34 N 0.92 3.63 0.65 1.80 1.43 0.03 -5.01 118.68 122.13 1ug8 s LEU 34 Ca -0.10 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1ug8 s LEU 34 Cb -0.15 -2.31 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 1ug8 s LEU 34 CO 0.01 -0.45 1.09 -0.62 0.23 0.00 0.00 176.35 176.61 1ug8 s ASP 35 N -4.08 5.24 -0.24 2.29 -1.08 -1.26 -4.28 116.67 113.26 1ug8 s ASP 35 Ca 0.44 1.92 -0.29 0.00 -0.52 0.00 0.00 52.55 54.09 1ug8 s ASP 35 Cb -0.06 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.85 1ug8 s ASP 35 CO 0.28 -1.54 1.32 -2.16 0.52 0.00 0.00 175.17 173.59 1ug8 s PRO 36 N -4.22 4.03 0.71 4.34 0.04 -1.26 -4.27 135.00 134.38 1ug8 s PRO 36 Ca 0.65 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 63.12 1ug8 s PRO 36 Cb -0.19 -3.85 0.11 0.00 0.04 0.00 0.00 34.50 30.61 1ug8 s PRO 36 CO 0.42 -0.97 0.99 0.00 0.04 0.00 0.00 177.00 177.48 1ug8 h THR 38 N -0.54 0.32 0.00 0.00 1.03 -1.95 -3.49 112.91 108.29 1ug8 h THR 38 Ca -0.39 -1.62 0.00 0.00 -0.01 0.00 0.00 66.41 64.39 1ug8 h THR 38 Cb 1.28 1.86 0.00 0.00 -1.07 0.00 0.00 68.15 70.22 1ug8 h THR 38 CO 0.45 0.19 0.00 0.61 -0.01 0.00 0.00 175.52 176.75 1ug8 n GLY 39 N 1.30 0.45 0.28 2.99 0.00 -1.26 -4.99 105.19 103.97 1ug8 n GLY 39 Ca -0.05 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1ug8 n GLY 39 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ug8 n PHE 40 N 0.00 -0.30 -0.32 1.61 7.35 -1.26 0.37 117.46 124.92 1ug8 n PHE 40 Ca 0.00 0.84 0.00 0.00 -0.76 0.00 0.00 57.45 57.53 1ug8 n PHE 40 Cb 0.00 -0.54 0.06 0.00 0.35 0.00 0.00 39.48 39.35 1ug8 n PHE 40 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1ug8 h GLN 41 N 0.00 -0.04 -0.70 -4.13 4.20 -1.97 0.46 115.11 112.94 1ug8 h GLN 41 Ca 0.11 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.96 1ug8 h GLN 41 Cb 0.28 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 27.93 1ug8 h GLN 41 CO -0.63 -0.02 -0.20 0.00 -0.67 0.00 0.00 178.83 177.30 1ug8 h ARG 42 N -0.04 -0.02 -0.15 1.46 3.08 -0.47 1.59 114.38 119.83 1ug8 h ARG 42 Ca 0.35 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.45 1ug8 h ARG 42 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1ug8 h ARG 42 CO -0.89 -0.01 0.11 1.57 -1.07 0.00 0.00 179.97 179.67 1ug8 h LYS 43 N -0.02 0.00 -0.04 0.04 2.10 0.49 0.12 116.57 119.25 1ug8 h LYS 43 Ca 0.33 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.95 1ug8 h LYS 43 Cb 0.52 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1ug8 h LYS 43 CO -0.73 0.00 -0.07 -0.07 -2.00 0.00 0.00 179.45 176.58 1ug8 h LEU 44 N 0.00 0.14 -0.21 7.07 3.38 0.32 0.99 115.31 126.99 1ug8 h LEU 44 Ca 0.07 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1ug8 h LEU 44 Cb 0.29 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ug8 h LEU 44 CO -0.00 0.66 0.07 0.40 0.09 0.00 0.00 178.44 179.66 1ug8 h ILE 45 N -0.38 0.95 -0.51 1.22 2.04 0.54 0.37 117.51 121.74 1ug8 h ILE 45 Ca 0.00 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1ug8 h ILE 45 Cb 0.63 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1ug8 h ILE 45 CO 0.02 0.03 0.14 1.88 0.00 0.00 0.00 178.15 180.22 1ug8 h TYR 46 N 0.17 0.78 0.23 1.37 0.05 -0.84 -1.33 116.97 117.41 1ug8 h TYR 46 Ca 0.09 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1ug8 h TYR 46 Cb 0.05 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1ug8 h TYR 46 CO -0.12 0.65 -0.11 0.37 -1.05 0.00 0.00 178.16 177.91 1ug8 h GLN 47 N 0.74 -0.29 0.50 4.88 4.15 0.01 -0.12 115.11 124.98 1ug8 h GLN 47 Ca 0.17 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 1ug8 h GLN 47 Cb 0.25 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1ug8 h GLN 47 CO -0.00 -0.11 -0.31 1.15 -1.93 0.00 0.00 178.83 177.63 1ug8 h THR 48 N -0.42 0.00 -0.44 2.39 2.02 -0.76 -1.30 112.91 114.39 1ug8 h THR 48 Ca -0.03 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.28 1ug8 h THR 48 Cb 0.32 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1ug8 h THR 48 CO 0.05 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.50 1ug8 h LEU 49 N -0.76 0.00 -0.99 2.58 3.38 -1.30 1.77 115.31 119.99 1ug8 h LEU 49 Ca -0.07 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.03 1ug8 h LEU 49 Cb 0.61 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 1ug8 h LEU 49 CO 0.06 0.00 0.62 -1.28 0.09 0.00 0.00 178.44 177.93 1ug8 h SER 50 N 0.00 0.89 0.00 -0.43 0.87 0.22 0.71 113.55 115.81 1ug8 h SER 50 Ca 0.21 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.67 1ug8 h SER 50 Cb 1.47 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 1ug8 h SER 50 CO -0.00 0.46 -1.58 -2.67 -0.53 0.00 0.00 176.83 172.51 1ug8 n TRP 51 N -4.65 0.00 -0.15 2.24 4.27 0.18 -3.76 117.44 115.57 1ug8 n TRP 51 Ca 0.19 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.72 1ug8 n TRP 51 Cb 0.37 -0.41 0.00 0.00 -1.36 0.00 0.00 31.31 29.92 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 0.65 -1.36 -2.67 1.57 0.24 -3.39 116.57 111.61 1ug8 h LYS 52 Ca -0.23 -0.10 -0.26 0.00 -1.87 0.00 0.00 60.65 58.19 1ug8 h LYS 52 Cb 1.48 -0.11 -0.22 0.00 0.08 0.00 0.00 32.23 33.46 1ug8 h LYS 52 CO 0.00 0.57 -0.61 0.71 -0.57 0.00 0.00 179.45 179.55 1ug8 s TYR 53 N -5.66 -0.93 0.14 -1.35 2.02 0.24 -4.95 117.35 106.86 1ug8 s TYR 53 Ca -0.13 -0.96 -0.04 0.00 -0.37 0.00 0.00 57.07 55.57 1ug8 s TYR 53 Cb 0.11 -0.00 -0.05 0.00 -0.40 0.00 0.00 41.96 41.62 1ug8 s TYR 53 CO 0.76 -1.16 1.35 -1.00 -1.57 0.00 0.00 175.55 173.93 1ug8 h PRO 54 N 5.32 0.42 -3.37 -1.71 0.13 -1.40 -3.41 132.00 127.98 1ug8 h PRO 54 Ca 0.11 -0.41 -0.51 0.00 -0.87 0.00 0.00 66.00 64.31 1ug8 h PRO 54 Cb 1.06 0.11 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 1ug8 h PRO 54 CO 0.11 1.07 -0.76 -1.59 -0.23 0.00 0.00 178.00 176.59 1ug8 s LYS 55 N -3.40 0.49 0.00 0.86 -2.85 -1.26 -4.85 119.74 108.73 1ug8 s LYS 55 Ca -0.06 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 1ug8 s LYS 55 Cb 0.09 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 1ug8 s LYS 55 CO 0.86 -0.72 0.00 0.41 0.10 0.00 0.00 175.35 176.00 1ug8 n GLY 56 N 5.10 0.72 2.46 0.59 0.00 -1.26 -4.52 105.19 108.28 1ug8 n GLY 56 Ca -0.08 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.71 -0.61 -0.00 -1.26 -1.42 119.36 112.36 1ug8 n ILE 57 Ca 0.00 -1.73 -0.25 0.00 -0.00 0.00 0.00 62.75 60.78 1ug8 n ILE 57 Cb 0.00 0.59 -0.17 0.00 -0.00 0.00 0.00 39.64 40.05 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 -2.62 0.57 -0.05 4.28 5.65 -0.66 -4.74 115.29 117.72 1ug8 s HIS 58 Ca 0.13 -0.33 -0.16 0.00 0.25 0.00 0.00 55.06 54.95 1ug8 s HIS 58 Cb 0.01 -0.79 -0.05 0.00 -1.18 0.00 0.00 32.58 30.56 1ug8 s HIS 58 CO 0.09 -0.43 0.41 0.08 -0.65 0.00 0.00 174.74 174.25 1ug8 s VAL 59 N 2.01 5.11 -0.03 0.89 1.01 -1.26 -0.37 120.40 127.75 1ug8 s VAL 59 Ca 0.03 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 1ug8 s VAL 59 Cb -0.14 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1ug8 s VAL 59 CO -0.07 0.49 0.13 -1.83 0.00 0.00 0.00 175.10 173.82 1ug8 s GLU 60 N -0.41 0.29 -0.50 2.72 -1.05 0.25 -4.96 118.70 115.03 1ug8 s GLU 60 Ca 0.23 -0.06 -0.18 0.00 -0.15 0.00 0.00 54.97 54.82 1ug8 s GLU 60 Cb -0.16 0.12 0.07 0.00 -0.44 0.00 0.00 34.13 33.72 1ug8 s GLU 60 CO 0.11 -0.05 0.55 0.99 0.95 0.00 0.00 175.26 177.81 1ug8 s THR 61 N -0.53 5.00 -0.09 1.83 2.01 -1.26 0.64 115.64 123.25 1ug8 s THR 61 Ca -0.06 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.14 1ug8 s THR 61 Cb -0.04 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1ug8 s THR 61 CO 0.01 -0.75 0.16 -0.76 -0.69 0.00 0.00 174.62 172.58 1ug8 s LEU 62 N 2.28 4.39 -0.09 4.42 1.43 -0.54 -4.85 118.68 125.71 1ug8 s LEU 62 Ca 0.11 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1ug8 s LEU 62 Cb -0.21 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.80 1ug8 s LEU 62 CO 0.10 0.37 -0.18 -0.70 0.23 0.00 0.00 176.35 176.17 1ug8 s GLU 63 N -1.25 2.37 0.00 1.70 2.12 -1.26 0.56 118.70 122.94 1ug8 s GLU 63 Ca 0.18 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.87 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 0.08 0.07 0.00 0.25 -0.54 0.00 0.00 175.26 175.12 1ug8 n THR 64 N 3.77 0.00 -0.05 -1.70 -2.24 -1.26 -4.85 114.28 107.95 1ug8 n THR 64 Ca -0.21 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 1.27 -0.02 3.42 2.03 -1.26 -3.94 116.55 118.04 1ug8 n ASP 65 Ca 0.00 0.46 -0.21 0.00 0.52 0.00 0.00 54.79 55.56 1ug8 n ASP 65 Cb 0.00 -0.74 -0.14 0.00 -0.72 0.00 0.00 41.12 39.52 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 -3.88 0.73 -0.05 -0.67 2.85 -1.26 -4.23 118.16 111.64 1ug8 n LYS 66 Ca -0.06 0.28 -0.09 0.00 -1.05 0.00 0.00 58.31 57.40 1ug8 n LYS 66 Cb 0.22 -1.69 -0.02 0.00 -0.65 0.00 0.00 35.03 32.88 1ug8 n LYS 66 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1ug8 h LYS 67 N -0.04 0.19 -2.92 -1.58 1.63 -1.98 -3.48 116.57 108.38 1ug8 h LYS 67 Ca -0.44 -0.01 0.33 0.00 -0.85 0.00 0.00 60.65 59.68 1ug8 h LYS 67 Cb 1.95 -0.04 -0.12 0.00 -0.60 0.00 0.00 32.23 33.42 1ug8 h LYS 67 CO 0.04 0.13 -0.73 0.39 -3.45 0.00 0.00 179.45 175.83 1ug8 n GLU 68 N -5.03 -2.70 -1.45 1.90 1.02 -1.25 -4.51 120.64 108.61 1ug8 n GLU 68 Ca -0.02 1.97 -0.45 0.00 -0.02 0.00 0.00 57.16 58.64 1ug8 n GLU 68 Cb 0.08 -3.24 -0.12 0.00 -0.02 0.00 0.00 31.44 28.14 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 -4.04 0.27 -4.36 3.49 3.00 -1.23 -4.04 116.66 109.76 1ug8 n ARG 69 Ca -0.03 0.03 -0.19 0.00 -0.00 0.00 0.00 57.85 57.67 1ug8 n ARG 69 Cb 0.59 -1.89 -0.14 0.00 0.00 0.00 0.00 32.46 31.02 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1ug8 s HIS 70 N 8.72 1.03 0.12 -0.14 -3.43 0.19 -4.19 115.29 117.59 1ug8 s HIS 70 Ca 1.24 -0.29 -0.31 0.00 -0.80 0.00 0.00 55.06 54.91 1ug8 s HIS 70 Cb -1.10 -0.63 -0.07 0.00 -1.43 0.00 0.00 32.58 29.34 1ug8 s HIS 70 CO 0.49 0.00 1.30 0.42 -2.00 0.00 0.00 174.74 174.95 1ug8 s ILE 71 N -0.64 3.55 -0.01 -5.38 1.01 -1.26 -1.47 121.20 117.01 1ug8 s ILE 71 Ca 0.01 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.87 1ug8 s ILE 71 Cb -0.06 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1ug8 s ILE 71 CO 0.00 0.11 -0.17 -0.69 0.00 0.00 0.00 174.94 174.20 1ug8 s VAL 72 N 0.82 1.35 0.16 2.92 1.01 0.21 -0.79 120.40 126.07 1ug8 s VAL 72 Ca 0.60 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1ug8 s VAL 72 Cb -0.34 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1ug8 s VAL 72 CO 0.32 0.36 -0.08 -0.63 0.00 0.00 0.00 175.10 175.07 1ug8 s ILE 73 N -0.42 3.33 0.11 2.22 1.09 0.24 0.84 121.20 128.61 1ug8 s ILE 73 Ca 0.06 -1.52 0.01 0.00 -1.10 0.00 0.00 60.65 58.10 1ug8 s ILE 73 Cb -0.07 -2.64 -0.04 0.00 -1.06 0.00 0.00 42.46 38.66 1ug8 s ILE 73 CO -0.01 -0.06 -0.03 -0.55 -0.10 0.00 0.00 174.94 174.20 1ug8 s SER 74 N -2.71 0.93 -0.16 3.58 0.15 0.50 0.35 113.70 116.35 1ug8 s SER 74 Ca 0.25 -1.07 -0.26 0.00 0.70 0.00 0.00 55.95 55.57 1ug8 s SER 74 Cb -0.09 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1ug8 s SER 74 CO 0.15 -0.55 0.86 -0.54 1.20 0.00 0.00 173.24 174.37 1ug8 s LYS 75 N -3.90 4.32 0.14 5.44 1.02 -0.14 -1.66 119.74 124.97 1ug8 s LYS 75 Ca 0.15 1.08 0.07 0.00 0.02 0.00 0.00 55.97 57.30 1ug8 s LYS 75 Cb 0.06 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1ug8 s LYS 75 CO -0.03 -0.32 -0.17 0.08 -0.92 0.00 0.00 175.35 173.99 1ug8 s VAL 76 N 2.11 1.61 0.00 3.17 1.01 -0.51 -4.83 120.40 122.96 1ug8 s VAL 76 Ca 0.40 -1.80 0.01 0.00 0.00 0.00 0.00 61.98 60.59 1ug8 s VAL 76 Cb -0.17 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1ug8 s VAL 76 CO 0.13 -0.33 0.68 -0.67 0.00 0.00 0.00 175.10 174.92 1ug8 n ASP 77 N 0.47 -0.09 0.00 3.32 2.03 -1.26 -4.46 116.55 116.56 1ug8 n ASP 77 Ca -0.15 -1.36 0.00 0.00 0.52 0.00 0.00 54.79 53.81 1ug8 n ASP 77 Cb 0.57 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.02 0.00 0.27 -0.67 1.02 -1.26 -3.76 120.64 116.26 1ug8 n GLU 78 Ca -0.03 0.07 0.15 0.00 -0.02 0.00 0.00 57.16 57.33 1ug8 n GLU 78 Cb 0.59 -0.52 0.80 0.00 -0.02 0.00 0.00 31.44 32.29 1ug8 n GLU 78 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ug8 h GLU 79 N 0.00 0.00 0.04 3.49 4.11 -1.94 -0.85 114.58 119.42 1ug8 h GLU 79 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ug8 h GLU 79 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ug8 h GLU 79 CO 0.00 0.00 -0.02 1.49 0.07 0.00 0.00 179.01 180.55 1ug8 h GLU 80 N 0.00 -0.05 -6.66 1.06 4.81 -1.79 -3.46 114.58 108.49 1ug8 h GLU 80 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 1ug8 h GLU 80 Cb 0.35 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1ug8 h GLU 80 CO 0.00 0.61 0.06 0.50 -0.73 0.00 0.00 179.01 179.46 1ug8 s ARG 81 N -3.09 4.00 0.12 1.92 3.00 -0.33 -4.99 118.95 119.58 1ug8 s ARG 81 Ca -0.16 0.63 -0.18 0.00 -1.00 0.00 0.00 55.73 55.02 1ug8 s ARG 81 Cb -0.01 -2.51 -0.04 0.00 0.00 0.00 0.00 34.95 32.39 1ug8 s ARG 81 CO 0.60 0.21 1.74 0.77 0.00 0.00 0.00 175.30 178.61 1ug8 h SER 82 N 2.43 0.34 0.00 -2.12 0.02 -1.88 -3.45 113.55 108.89 1ug8 h SER 82 Ca -0.48 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1ug8 h SER 82 Cb 1.18 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ug8 h SER 82 CO 0.66 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1ug8 n GLY 83 N -1.00 -0.70 3.76 -3.77 0.00 -1.26 -4.87 105.19 97.35 1ug8 n GLY 83 Ca -0.02 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 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 4.56 -0.17 1.61 0.04 -1.26 -4.99 135.00 134.80 1ug8 s PRO 84 Ca 0.00 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 1ug8 s PRO 84 Cb 0.00 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 1ug8 s PRO 84 CO 0.00 0.17 -0.17 0.43 0.04 0.00 0.00 177.00 177.47 1ug8 n SER 85 N 0.96 1.85 -0.00 6.66 7.64 -1.26 -4.71 113.62 124.76 1ug8 n SER 85 Ca 0.00 0.53 -0.04 0.00 1.01 0.00 0.00 58.87 60.37 1ug8 n SER 85 Cb 0.46 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 1ug8 n SER 85 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ug8 h SER 86 N -1.00 -0.10 0.00 6.43 0.02 -2.02 -3.56 113.55 113.32 1ug8 h SER 86 Ca -0.09 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1ug8 h SER 86 Cb 0.79 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1ug8 h SER 86 CO -0.06 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.69