#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 -0.34 0.23 1.61 0.01 -1.26 -5.04 113.70 108.91 1ug8 s SER 2 Ca 0.00 0.89 -0.02 0.00 1.31 0.00 0.00 55.95 58.13 1ug8 s SER 2 Cb 0.00 1.47 0.01 0.00 0.21 0.00 0.00 66.02 67.71 1ug8 s SER 2 CO 0.00 -0.25 0.34 -1.54 0.41 0.00 0.00 173.24 172.20 1ug8 n SER 3 N 5.40 -0.94 0.10 2.44 3.41 -1.26 -5.01 113.62 117.75 1ug8 n SER 3 Ca -0.07 -2.19 -0.05 0.00 -0.26 0.00 0.00 58.87 56.29 1ug8 n SER 3 Cb 0.50 1.73 -0.02 0.00 -0.26 0.00 0.00 64.21 66.15 1ug8 n SER 3 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ug8 h GLY 4 N 1.27 -0.35 -0.77 5.00 0.00 -2.01 0.82 103.07 107.01 1ug8 h GLY 4 Ca -0.18 0.13 0.29 0.00 0.00 0.00 0.00 47.33 47.57 1ug8 h GLY 4 CO 0.24 -0.13 0.21 1.48 0.00 0.00 0.00 176.54 178.34 1ug8 h SER 5 N -1.03 -0.13 0.00 0.19 4.64 -2.00 0.55 113.55 115.77 1ug8 h SER 5 Ca -0.03 0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ug8 h SER 5 Cb 0.26 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1ug8 h SER 5 CO 0.06 -0.29 -0.00 -1.28 -0.87 0.00 0.00 176.83 174.44 1ug8 h SER 6 N 0.09 -0.00 -0.91 4.97 0.87 -1.98 -3.28 113.55 113.30 1ug8 h SER 6 Ca 0.63 -0.63 0.26 0.00 -1.23 0.00 0.00 61.79 60.82 1ug8 h SER 6 Cb 1.39 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.32 1ug8 h SER 6 CO -0.79 0.81 0.94 1.23 -0.53 0.00 0.00 176.83 178.49 1ug8 h GLY 7 N -1.00 0.00 0.69 5.77 0.00 0.23 1.11 103.07 109.87 1ug8 h GLY 7 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1ug8 h GLY 7 CO 0.00 0.00 -0.21 -1.80 0.00 0.00 0.00 176.54 174.53 1ug8 h ASP 8 N 0.00 -0.50 1.56 0.19 1.82 -0.03 -2.34 116.42 117.11 1ug8 h ASP 8 Ca 0.43 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.96 1ug8 h ASP 8 Cb 2.31 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 42.45 1ug8 h ASP 8 CO -0.00 -0.14 -0.07 0.06 -1.61 0.00 0.00 179.24 177.47 1ug8 h GLN 9 N -0.91 0.00 -0.59 0.28 3.07 -0.34 -3.04 115.11 113.57 1ug8 h GLN 9 Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.63 1ug8 h GLN 9 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.10 1ug8 h GLN 9 CO 0.10 0.07 0.17 -0.22 0.09 0.00 0.00 178.83 179.05 1ug8 h LYS 10 N 0.00 0.90 -0.14 0.06 1.63 0.11 0.34 116.57 119.48 1ug8 h LYS 10 Ca -0.00 -0.18 -0.12 0.00 -0.85 0.00 0.00 60.65 59.50 1ug8 h LYS 10 Cb 0.87 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1ug8 h LYS 10 CO 0.01 0.79 -0.38 0.87 -3.45 0.00 0.00 179.45 177.29 1ug8 h LYS 11 N 0.87 0.51 0.33 1.90 1.57 -1.31 -0.94 116.57 119.50 1ug8 h LYS 11 Ca 0.20 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1ug8 h LYS 11 Cb 0.27 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1ug8 h LYS 11 CO -0.01 0.98 -0.16 0.35 -0.57 0.00 0.00 179.45 180.04 1ug8 h PHE 12 N 0.13 -0.41 0.29 -1.35 3.04 -1.40 -0.63 116.94 116.60 1ug8 h PHE 12 Ca -0.01 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1ug8 h PHE 12 Cb 1.00 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.63 1ug8 h PHE 12 CO 0.10 -0.22 -0.24 0.97 -2.02 0.00 0.00 178.31 176.91 1ug8 h ILE 13 N -0.50 0.49 -0.65 1.41 6.09 -0.39 -1.98 117.51 121.97 1ug8 h ILE 13 Ca -0.05 0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.57 1ug8 h ILE 13 Cb 0.38 0.49 -0.12 0.00 0.47 0.00 0.00 36.82 38.03 1ug8 h ILE 13 CO 0.07 0.00 -0.28 -0.78 -3.07 0.00 0.00 178.15 174.10 1ug8 h ASP 14 N -0.54 -0.98 -0.97 2.19 1.82 -1.10 0.81 116.42 117.63 1ug8 h ASP 14 Ca -0.02 0.23 0.20 0.00 -0.39 0.00 0.00 57.03 57.05 1ug8 h ASP 14 Cb 0.48 0.53 -0.11 0.00 0.68 0.00 0.00 39.33 40.92 1ug8 h ASP 14 CO -0.03 -0.28 0.56 1.56 -1.61 0.00 0.00 179.24 179.45 1ug8 h GLN 15 N -0.09 0.66 0.19 0.28 4.20 -0.64 -0.66 115.11 119.05 1ug8 h GLN 15 Ca 0.28 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 1ug8 h GLN 15 Cb 0.54 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1ug8 h GLN 15 CO -0.71 0.44 -0.09 0.28 -0.67 0.00 0.00 178.83 178.07 1ug8 h VAL 16 N 0.68 0.90 -1.00 -0.54 2.07 0.12 -2.87 116.25 115.61 1ug8 h VAL 16 Ca 0.57 -0.67 0.39 0.00 0.82 0.00 0.00 66.70 67.80 1ug8 h VAL 16 Cb 0.94 1.29 -0.18 0.00 -1.52 0.00 0.00 31.29 31.82 1ug8 h VAL 16 CO -0.41 0.15 0.44 0.40 0.02 0.00 0.00 177.57 178.17 1ug8 h ILE 17 N -0.61 0.02 0.33 4.57 1.08 0.98 0.94 117.51 124.82 1ug8 h ILE 17 Ca -0.03 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1ug8 h ILE 17 Cb 0.44 -0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 1ug8 h ILE 17 CO 0.04 0.00 -0.19 -0.33 -0.69 0.00 0.00 178.15 176.98 1ug8 h GLU 18 N 0.02 -0.48 -0.86 2.37 4.39 -1.15 0.46 114.58 119.32 1ug8 h GLU 18 Ca 0.80 0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.67 1ug8 h GLU 18 Cb 2.02 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 30.69 1ug8 h GLU 18 CO -0.79 -0.32 0.46 0.87 -1.16 0.00 0.00 179.01 178.06 1ug8 h LYS 19 N -0.50 0.64 0.68 2.33 1.57 0.93 -0.06 116.57 122.16 1ug8 h LYS 19 Ca -0.04 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1ug8 h LYS 19 Cb 0.41 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1ug8 h LYS 19 CO 0.05 0.43 -0.33 0.82 -0.57 0.00 0.00 179.45 179.85 1ug8 h ILE 20 N 0.66 0.00 -0.98 1.86 2.04 -0.48 -0.82 117.51 119.79 1ug8 h ILE 20 Ca 0.46 -0.18 0.13 0.00 1.00 0.00 0.00 64.86 66.28 1ug8 h ILE 20 Cb 0.63 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.56 1ug8 h ILE 20 CO -0.35 0.00 -0.44 -0.62 0.00 0.00 0.00 178.15 176.74 1ug8 n GLU 21 N -4.94 -0.29 0.01 2.37 1.02 0.15 0.10 120.64 119.06 1ug8 n GLU 21 Ca -0.11 1.50 -0.10 0.00 -0.02 0.00 0.00 57.16 58.43 1ug8 n GLU 21 Cb 0.36 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.53 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 -0.54 -0.78 1.62 3.58 -1.01 0.61 116.42 119.90 1ug8 h ASP 22 Ca 0.29 0.09 0.11 0.00 0.42 0.00 0.00 57.03 57.94 1ug8 h ASP 22 Cb 0.53 0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.78 1ug8 h ASP 22 CO -0.96 -0.22 0.51 0.15 -2.88 0.00 0.00 179.24 175.84 1ug8 h PHE 23 N -0.23 0.69 -0.06 0.28 3.57 0.16 0.12 116.94 121.47 1ug8 h PHE 23 Ca 0.09 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.43 1ug8 h PHE 23 Cb 0.36 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1ug8 h PHE 23 CO -0.28 0.30 -0.75 -0.07 -2.23 0.00 0.00 178.31 175.28 1ug8 h LEU 24 N 0.62 0.42 -0.53 0.59 3.38 0.24 -3.16 115.31 116.88 1ug8 h LEU 24 Ca 0.37 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ug8 h LEU 24 Cb 0.58 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1ug8 h LEU 24 CO -0.14 1.03 0.35 1.56 0.09 0.00 0.00 178.44 181.33 1ug8 h GLN 25 N 0.23 0.69 -7.03 1.13 1.08 0.27 -3.42 115.11 108.06 1ug8 h GLN 25 Ca -0.03 -0.04 -0.53 0.00 -1.45 0.00 0.00 58.65 56.59 1ug8 h GLN 25 Cb 1.33 -0.15 0.11 0.00 -0.05 0.00 0.00 27.48 28.71 1ug8 h GLN 25 CO 0.12 0.45 0.56 0.45 -0.95 0.00 0.00 178.83 179.47 1ug8 s SER 26 N -5.67 5.60 -0.21 1.46 0.15 -0.57 -4.97 113.70 109.49 1ug8 s SER 26 Ca -0.13 2.59 -0.18 0.00 0.70 0.00 0.00 55.95 58.92 1ug8 s SER 26 Cb 0.12 -2.62 -0.15 0.00 -1.71 0.00 0.00 66.02 61.66 1ug8 s SER 26 CO 0.74 -1.33 0.03 1.21 1.20 0.00 0.00 173.24 175.09 1ug8 n GLU 27 N -0.84 0.55 -0.10 5.44 2.13 -1.26 -4.40 120.64 122.16 1ug8 n GLU 27 Ca 0.09 0.50 -0.06 0.00 0.66 0.00 0.00 57.16 58.35 1ug8 n GLU 27 Cb 0.46 -1.68 0.01 0.00 0.27 0.00 0.00 31.44 30.50 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ug8 h GLU 28 N -1.00 0.04 -6.12 5.31 4.81 -1.95 -3.42 114.58 112.26 1ug8 h GLU 28 Ca -0.37 -0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.12 1ug8 h GLU 28 Cb 1.26 -0.01 0.05 0.00 0.63 0.00 0.00 28.75 30.68 1ug8 h GLU 28 CO -0.22 0.03 0.22 1.63 -0.73 0.00 0.00 179.01 179.93 1ug8 n LYS 29 N -5.23 0.51 -0.03 1.92 5.02 -1.26 -4.85 118.16 114.23 1ug8 n LYS 29 Ca 0.01 0.18 -0.04 0.00 -2.02 0.00 0.00 58.31 56.45 1ug8 n LYS 29 Cb 0.19 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.43 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 1.92 1.81 -3.82 1.97 5.12 -1.26 -4.97 116.66 117.43 1ug8 n ARG 30 Ca 0.19 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 56.01 1ug8 n ARG 30 Cb 0.13 -1.15 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 1ug8 n ARG 30 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1ug8 s SER 31 N -4.15 -0.12 0.18 0.55 0.01 -1.26 -0.18 113.70 108.73 1ug8 s SER 31 Ca -0.06 0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.38 1ug8 s SER 31 Cb 0.02 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 1ug8 s SER 31 CO 0.21 -0.27 -0.01 -0.22 0.41 0.00 0.00 173.24 173.36 1ug8 s LEU 32 N -0.79 3.28 -0.13 2.44 2.96 0.30 -4.94 118.68 121.81 1ug8 s LEU 32 Ca -0.09 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1ug8 s LEU 32 Cb -0.05 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1ug8 s LEU 32 CO 0.02 0.08 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.42 1ug8 s GLU 33 N -2.99 1.85 0.67 1.98 2.02 -1.26 0.03 118.70 121.00 1ug8 s GLU 33 Ca 0.27 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.92 1ug8 s GLU 33 Cb -0.09 -1.80 0.11 0.00 0.10 0.00 0.00 34.13 32.45 1ug8 s GLU 33 CO 0.18 -0.25 0.92 -0.51 0.02 0.00 0.00 175.26 175.62 1ug8 s LEU 34 N 1.60 3.03 0.39 1.80 1.43 -0.55 -5.03 118.68 121.35 1ug8 s LEU 34 Ca 0.05 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.44 1ug8 s LEU 34 Cb -0.13 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.17 1ug8 s LEU 34 CO -0.09 -1.67 0.81 -0.62 0.23 0.00 0.00 176.35 175.01 1ug8 s ASP 35 N -4.71 6.71 -0.31 2.29 2.15 -1.26 -4.46 116.67 117.07 1ug8 s ASP 35 Ca 0.65 1.34 -0.29 0.00 0.43 0.00 0.00 52.55 54.68 1ug8 s ASP 35 Cb -0.05 -2.40 -0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1ug8 s ASP 35 CO 0.42 -0.34 1.35 -2.16 -0.17 0.00 0.00 175.17 174.28 1ug8 s PRO 36 N -3.41 3.85 0.59 4.34 0.04 -1.26 -4.33 135.00 134.82 1ug8 s PRO 36 Ca 0.55 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 1ug8 s PRO 36 Cb -0.10 -3.92 0.03 0.00 0.04 0.00 0.00 34.50 30.55 1ug8 s PRO 36 CO 0.22 -1.21 0.86 0.00 0.04 0.00 0.00 177.00 176.92 1ug8 h THR 38 N -0.15 1.37 0.00 0.00 1.03 -1.95 -3.48 112.91 109.73 1ug8 h THR 38 Ca -0.44 -1.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.50 1ug8 h THR 38 Cb 1.29 1.99 0.00 0.00 -1.07 0.00 0.00 68.15 70.36 1ug8 h THR 38 CO 0.57 0.43 0.00 0.61 -0.01 0.00 0.00 175.52 177.12 1ug8 n GLY 39 N 0.36 -1.21 0.38 2.99 0.00 -1.26 -5.00 105.19 101.45 1ug8 n GLY 39 Ca -0.07 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.40 -0.33 1.61 7.35 -1.26 0.16 117.46 124.60 1ug8 n PHE 40 Ca 0.00 1.13 0.11 0.00 -0.76 0.00 0.00 57.45 57.93 1ug8 n PHE 40 Cb 0.00 -0.57 0.29 0.00 0.35 0.00 0.00 39.48 39.55 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 0.66 -0.28 -4.13 1.08 -1.96 -0.87 115.11 109.61 1ug8 h GLN 41 Ca 0.14 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 1ug8 h GLN 41 Cb 0.37 -0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 27.57 1ug8 h GLN 41 CO -0.85 0.43 -0.33 -0.09 -0.95 0.00 0.00 178.83 177.05 1ug8 h ARG 42 N 0.67 -0.31 -0.95 1.46 2.43 0.12 0.17 114.38 117.98 1ug8 h ARG 42 Ca 0.55 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.85 1ug8 h ARG 42 Cb 0.86 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.40 1ug8 h ARG 42 CO -0.40 -0.20 0.58 0.87 -1.51 0.00 0.00 179.97 179.31 1ug8 h LYS 43 N -0.32 0.91 0.34 0.20 1.57 -0.49 -1.95 116.57 116.84 1ug8 h LYS 43 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1ug8 h LYS 43 Cb 0.54 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1ug8 h LYS 43 CO -0.45 0.60 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.65 1ug8 h LEU 44 N 0.94 -0.85 -0.76 2.94 3.38 -0.22 0.69 115.31 121.44 1ug8 h LEU 44 Ca 0.46 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.57 1ug8 h LEU 44 Cb 0.43 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 1ug8 h LEU 44 CO -0.26 -0.42 -0.47 0.40 0.09 0.00 0.00 178.44 177.78 1ug8 h ILE 45 N -0.65 0.00 -0.75 1.22 2.04 -0.46 1.38 117.51 120.29 1ug8 h ILE 45 Ca -0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.95 1ug8 h ILE 45 Cb 0.55 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1ug8 h ILE 45 CO -0.02 0.00 0.50 1.88 0.00 0.00 0.00 178.15 180.51 1ug8 h TYR 46 N -0.03 0.54 -0.28 1.37 0.05 -1.20 0.21 116.97 117.64 1ug8 h TYR 46 Ca 0.12 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 1ug8 h TYR 46 Cb 0.34 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1ug8 h TYR 46 CO -0.99 0.22 0.01 1.96 -1.05 0.00 0.00 178.16 178.31 1ug8 h GLN 47 N 0.47 0.49 0.58 4.88 1.08 0.77 -0.34 115.11 123.03 1ug8 h GLN 47 Ca 0.36 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.39 1ug8 h GLN 47 Cb 0.75 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1ug8 h GLN 47 CO -0.12 0.63 -0.28 1.15 -0.95 0.00 0.00 178.83 179.26 1ug8 h THR 48 N 0.28 0.00 -0.44 -0.54 2.02 0.20 -2.86 112.91 111.57 1ug8 h THR 48 Ca 0.08 -0.31 0.13 0.00 0.77 0.00 0.00 66.41 67.08 1ug8 h THR 48 Cb 0.41 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1ug8 h THR 48 CO 0.01 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.37 1ug8 h LEU 49 N -1.08 0.00 -0.86 2.58 3.38 -0.73 1.47 115.31 120.06 1ug8 h LEU 49 Ca -0.08 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.07 1ug8 h LEU 49 Cb 0.59 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 1ug8 h LEU 49 CO 0.13 0.00 0.41 -1.28 0.09 0.00 0.00 178.44 177.79 1ug8 h SER 50 N 0.00 0.43 0.00 -0.43 0.87 -0.80 0.91 113.55 114.53 1ug8 h SER 50 Ca 0.21 0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.73 1ug8 h SER 50 Cb 1.29 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 1ug8 h SER 50 CO -0.00 0.12 -1.60 -2.67 -0.53 0.00 0.00 176.83 172.15 1ug8 n TRP 51 N -4.95 0.00 -0.15 2.24 4.27 0.69 -3.76 117.44 115.78 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 0.52 -0.43 0.01 0.00 -1.36 0.00 0.00 31.31 30.05 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 0.64 -1.77 -2.67 1.57 0.20 -3.37 116.57 111.17 1ug8 h LYS 52 Ca -0.24 -0.08 -0.45 0.00 -1.87 0.00 0.00 60.65 58.01 1ug8 h LYS 52 Cb 1.51 -0.12 -0.31 0.00 0.08 0.00 0.00 32.23 33.39 1ug8 h LYS 52 CO 0.00 0.53 -0.85 0.66 -0.57 0.00 0.00 179.45 179.22 1ug8 n TYR 53 N -4.67 -1.73 -0.04 -1.35 4.02 0.31 -4.95 117.16 108.75 1ug8 n TYR 53 Ca 0.01 -2.76 -0.14 0.00 -0.01 0.00 0.00 57.90 55.00 1ug8 n TYR 53 Cb 0.10 0.55 -0.11 0.00 -0.02 0.00 0.00 39.34 39.85 1ug8 n TYR 53 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1ug8 h PRO 54 N 5.04 0.04 -4.70 -0.72 0.13 -1.53 -3.42 132.00 126.84 1ug8 h PRO 54 Ca 0.15 -0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.64 1ug8 h PRO 54 Cb 0.96 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 31.75 1ug8 h PRO 54 CO 0.30 0.78 -0.83 -1.59 -0.23 0.00 0.00 178.00 176.43 1ug8 s LYS 55 N -3.22 2.25 0.00 0.86 0.00 -1.26 -4.73 119.74 113.63 1ug8 s LYS 55 Ca -0.17 -0.55 0.00 0.00 0.00 0.00 0.00 55.97 55.24 1ug8 s LYS 55 Cb -0.00 -1.99 0.00 0.00 0.00 0.00 0.00 37.83 35.84 1ug8 s LYS 55 CO 0.70 -0.15 0.00 0.41 0.00 0.00 0.00 175.35 176.31 1ug8 n GLY 56 N 4.48 2.54 3.32 0.59 0.00 -1.26 -5.07 105.19 109.80 1ug8 n GLY 56 Ca -0.18 -0.28 -0.17 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 1.05 -0.21 -0.61 -5.25 -1.26 -1.26 121.20 113.66 1ug8 s ILE 57 Ca 0.00 -2.04 -0.01 0.00 -0.99 0.00 0.00 60.65 57.61 1ug8 s ILE 57 Cb 0.00 -2.31 0.06 0.00 2.95 0.00 0.00 42.46 43.16 1ug8 s ILE 57 CO 0.00 -0.36 -0.01 -2.28 -1.79 0.00 0.00 174.94 170.50 1ug8 s HIS 58 N -3.41 1.68 -0.01 1.37 2.46 -0.76 -4.83 115.29 111.79 1ug8 s HIS 58 Ca 0.28 -1.25 -0.22 0.00 0.47 0.00 0.00 55.06 54.34 1ug8 s HIS 58 Cb 0.05 -1.29 -0.05 0.00 -0.13 0.00 0.00 32.58 31.16 1ug8 s HIS 58 CO 0.08 -0.68 0.65 0.08 -2.47 0.00 0.00 174.74 172.40 1ug8 s VAL 59 N 1.64 4.91 -0.03 0.89 1.01 -1.26 -1.10 120.40 126.45 1ug8 s VAL 59 Ca -0.03 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.28 1ug8 s VAL 59 Cb -0.18 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1ug8 s VAL 59 CO -0.07 0.37 0.08 -1.83 0.00 0.00 0.00 175.10 173.65 1ug8 s GLU 60 N 0.07 0.09 -0.18 2.72 -1.05 0.17 -4.97 118.70 115.54 1ug8 s GLU 60 Ca 0.34 0.12 -0.04 0.00 -0.15 0.00 0.00 54.97 55.23 1ug8 s GLU 60 Cb -0.18 0.04 -0.02 0.00 -0.44 0.00 0.00 34.13 33.52 1ug8 s GLU 60 CO 0.18 -0.02 -0.03 0.99 0.95 0.00 0.00 175.26 177.34 1ug8 s THR 61 N 0.09 3.78 0.09 1.83 2.01 -1.26 0.12 115.64 122.30 1ug8 s THR 61 Ca -0.00 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.69 1ug8 s THR 61 Cb -0.01 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1ug8 s THR 61 CO -0.00 0.46 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.43 1ug8 s LEU 62 N 0.81 2.29 -0.12 4.42 2.01 -0.20 -4.89 118.68 123.00 1ug8 s LEU 62 Ca -0.01 -0.66 -0.01 0.00 0.01 0.00 0.00 54.13 53.47 1ug8 s LEU 62 Cb -0.14 -0.78 -0.02 0.00 0.01 0.00 0.00 46.19 45.25 1ug8 s LEU 62 CO 0.02 0.02 -0.10 -0.70 1.01 0.00 0.00 176.35 176.60 1ug8 s GLU 63 N -1.84 3.29 0.00 1.70 2.12 -1.26 0.11 118.70 122.82 1ug8 s GLU 63 Ca 0.04 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1ug8 s GLU 63 Cb -0.10 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.61 1ug8 s GLU 63 CO 0.04 0.32 0.00 0.25 -0.54 0.00 0.00 175.26 175.33 1ug8 n THR 64 N 3.24 0.00 -0.05 -1.70 -2.24 -1.08 -4.80 114.28 107.65 1ug8 n THR 64 Ca -0.18 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 1ug8 n THR 64 Cb 0.53 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 0.47 -0.57 0.00 0.00 175.07 174.97 1ug8 n ASP 65 N 0.00 1.14 -0.08 3.42 9.92 -1.26 -3.94 116.55 125.75 1ug8 n ASP 65 Ca 0.00 0.41 -0.16 0.00 -0.53 0.00 0.00 54.79 54.51 1ug8 n ASP 65 Cb 0.00 -0.71 -0.14 0.00 -0.64 0.00 0.00 41.12 39.64 1ug8 n ASP 65 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1ug8 n LYS 66 N -3.72 0.68 0.21 -1.24 2.85 -1.26 -4.14 118.16 111.54 1ug8 n LYS 66 Ca -0.06 0.16 0.08 0.00 -1.05 0.00 0.00 58.31 57.44 1ug8 n LYS 66 Cb 0.21 -1.60 0.43 0.00 -0.65 0.00 0.00 35.03 33.43 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 0.02 0.00 0.00 -1.58 1.79 -1.99 -3.48 116.57 111.33 1ug8 h LYS 67 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1ug8 h LYS 67 Cb 2.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1ug8 h LYS 67 CO -0.00 0.29 0.00 0.39 -1.08 0.00 0.00 179.45 179.05 1ug8 n GLU 68 N -3.53 0.00 -1.63 3.15 1.02 -1.25 -4.32 120.64 114.08 1ug8 n GLU 68 Ca -0.00 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 56.62 1ug8 n GLU 68 Cb 0.44 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.80 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 -0.18 1.63 -3.96 3.49 0.63 -1.24 -2.62 116.66 114.41 1ug8 n ARG 69 Ca 0.00 0.56 -0.11 0.00 -0.92 0.00 0.00 57.85 57.38 1ug8 n ARG 69 Cb 0.00 -2.48 -0.12 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 4.94 0.21 0.29 -0.14 -3.43 0.30 -4.19 115.29 113.27 1ug8 s HIS 70 Ca 0.99 -0.30 -0.26 0.00 -0.80 0.00 0.00 55.06 54.69 1ug8 s HIS 70 Cb -0.82 -0.14 -0.09 0.00 -1.43 0.00 0.00 32.58 30.09 1ug8 s HIS 70 CO 0.54 -0.10 0.91 0.42 -2.00 0.00 0.00 174.74 174.51 1ug8 s ILE 71 N -0.83 4.23 0.00 -5.38 1.01 -1.26 -1.04 121.20 117.94 1ug8 s ILE 71 Ca -0.08 1.81 0.01 0.00 0.00 0.00 0.00 60.65 62.39 1ug8 s ILE 71 Cb -0.06 -4.06 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 1ug8 s ILE 71 CO -0.00 0.24 -0.03 -0.69 0.00 0.00 0.00 174.94 174.46 1ug8 s VAL 72 N -1.49 0.19 -0.04 2.92 1.01 0.32 -1.48 120.40 121.84 1ug8 s VAL 72 Ca 0.47 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1ug8 s VAL 72 Cb -0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1ug8 s VAL 72 CO 0.25 0.02 -0.10 -0.63 0.00 0.00 0.00 175.10 174.64 1ug8 s ILE 73 N -0.14 3.41 0.17 2.22 1.09 0.10 0.41 121.20 128.47 1ug8 s ILE 73 Ca 0.00 -0.67 0.08 0.00 -1.10 0.00 0.00 60.65 58.95 1ug8 s ILE 73 Cb -0.01 -2.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.95 1ug8 s ILE 73 CO -0.00 0.54 -0.16 -0.55 -0.10 0.00 0.00 174.94 174.67 1ug8 s SER 74 N -0.95 2.47 -0.10 3.58 0.15 -0.26 0.11 113.70 118.70 1ug8 s SER 74 Ca 0.13 -0.91 -0.28 0.00 0.70 0.00 0.00 55.95 55.59 1ug8 s SER 74 Cb -0.11 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 1ug8 s SER 74 CO 0.03 -0.11 0.95 -0.54 1.20 0.00 0.00 173.24 174.76 1ug8 s LYS 75 N -3.10 4.42 0.25 5.44 1.02 0.74 -1.83 119.74 126.68 1ug8 s LYS 75 Ca 0.17 1.29 0.07 0.00 0.02 0.00 0.00 55.97 57.52 1ug8 s LYS 75 Cb -0.03 -3.53 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1ug8 s LYS 75 CO 0.06 -0.26 -0.10 0.08 -0.92 0.00 0.00 175.35 174.22 1ug8 s VAL 76 N 1.82 1.71 0.06 3.17 1.01 -0.39 -4.85 120.40 122.93 1ug8 s VAL 76 Ca 0.46 -2.17 -0.15 0.00 0.00 0.00 0.00 61.98 60.13 1ug8 s VAL 76 Cb -0.18 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1ug8 s VAL 76 CO 0.18 -0.41 0.33 -0.62 0.00 0.00 0.00 175.10 174.58 1ug8 s ASP 77 N -3.40 -0.16 -0.02 3.32 2.15 -1.26 -4.55 116.67 112.76 1ug8 s ASP 77 Ca 0.27 -0.22 -0.22 0.00 0.43 0.00 0.00 52.55 52.81 1ug8 s ASP 77 Cb 0.02 0.39 -0.14 0.00 -0.30 0.00 0.00 42.92 42.89 1ug8 s ASP 77 CO 0.10 -0.68 0.98 -0.33 -0.17 0.00 0.00 175.17 175.07 1ug8 h GLU 78 N 2.97 -0.47 0.59 4.34 3.07 -1.94 -2.28 114.58 120.86 1ug8 h GLU 78 Ca -0.32 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 1ug8 h GLU 78 Cb 1.21 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.21 1ug8 h GLU 78 CO 0.47 -0.16 -0.49 0.93 -1.40 0.00 0.00 179.01 178.36 1ug8 h GLU 79 N -0.96 -1.02 -0.21 2.33 4.39 -2.00 -3.14 114.58 113.97 1ug8 h GLU 79 Ca -0.05 0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1ug8 h GLU 79 Cb 0.53 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 1ug8 h GLU 79 CO 0.08 -0.68 -0.18 1.49 -1.16 0.00 0.00 179.01 178.56 1ug8 h GLU 80 N -1.05 -0.07 -6.77 2.33 4.81 -1.99 -3.40 114.58 108.43 1ug8 h GLU 80 Ca -0.07 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.59 1ug8 h GLU 80 Cb 0.89 0.02 0.15 0.00 0.63 0.00 0.00 28.75 30.44 1ug8 h GLU 80 CO -0.01 -0.05 0.18 -2.13 -0.73 0.00 0.00 179.01 176.28 1ug8 n ARG 81 N -3.63 1.18 -0.13 1.92 0.63 -0.86 -4.95 116.66 110.82 1ug8 n ARG 81 Ca -0.00 0.44 -0.27 0.00 -0.92 0.00 0.00 57.85 57.09 1ug8 n ARG 81 Cb 0.10 -2.16 -0.11 0.00 0.45 0.00 0.00 32.46 30.75 1ug8 n ARG 81 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ug8 n SER 82 N -0.23 1.95 -4.38 6.15 2.88 -1.26 -4.85 113.62 113.88 1ug8 n SER 82 Ca 0.11 0.30 -0.58 0.00 -1.33 0.00 0.00 58.87 57.37 1ug8 n SER 82 Cb 0.44 -0.80 -0.10 0.00 -0.75 0.00 0.00 64.21 63.00 1ug8 n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug8 n GLY 83 N 1.40 0.11 3.55 0.46 0.00 -1.26 -4.80 105.19 104.66 1ug8 n GLY 83 Ca -0.50 1.05 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 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 5.62 2.91 0.24 1.61 0.04 -1.26 -4.83 135.00 139.33 1ug8 s PRO 84 Ca 1.15 0.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 1ug8 s PRO 84 Cb -1.31 -4.28 0.28 0.00 0.04 0.00 0.00 34.50 29.23 1ug8 s PRO 84 CO 0.63 -2.44 1.67 0.66 0.04 0.00 0.00 177.00 177.57 1ug8 h SER 85 N 12.45 0.68 0.33 6.66 4.64 -1.99 -3.17 113.55 133.16 1ug8 h SER 85 Ca -0.27 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1ug8 h SER 85 Cb 1.11 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 1ug8 h SER 85 CO 1.25 0.88 -0.50 -1.28 -0.87 0.00 0.00 176.83 176.31 1ug8 h SER 86 N 0.60 -1.43 0.00 4.97 0.87 -2.00 -3.55 113.55 113.01 1ug8 h SER 86 Ca 0.09 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1ug8 h SER 86 Cb 0.68 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1ug8 h SER 86 CO 0.05 -0.60 0.00 0.61 -0.53 0.00 0.00 176.83 176.36