#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 2.85 -0.27 1.61 0.01 -1.26 -5.08 113.70 111.55 1ug8 s SER 2 Ca 0.00 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1ug8 s SER 2 Cb 0.00 -1.13 0.15 0.00 0.21 0.00 0.00 66.02 65.25 1ug8 s SER 2 CO 0.00 -0.10 0.53 -0.55 0.41 0.00 0.00 173.24 173.53 1ug8 s SER 3 N 1.50 -0.79 -0.06 2.44 0.15 -1.26 -5.06 113.70 110.62 1ug8 s SER 3 Ca 0.03 0.85 -0.13 0.00 0.70 0.00 0.00 55.95 57.40 1ug8 s SER 3 Cb -0.14 1.83 -0.08 0.00 -1.71 0.00 0.00 66.02 65.92 1ug8 s SER 3 CO -0.09 -0.26 0.51 1.23 1.20 0.00 0.00 173.24 175.83 1ug8 h GLY 4 N 8.07 -0.34 -0.20 9.45 0.00 -1.98 -0.20 103.07 117.87 1ug8 h GLY 4 Ca -0.20 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.27 1ug8 h GLY 4 CO 0.22 -0.12 -0.13 1.76 0.00 0.00 0.00 176.54 178.26 1ug8 h SER 5 N -1.05 -0.48 -0.23 0.19 0.02 -2.01 -0.09 113.55 109.90 1ug8 h SER 5 Ca -0.03 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1ug8 h SER 5 Cb 0.35 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1ug8 h SER 5 CO 0.05 -0.06 0.08 0.28 -1.14 0.00 0.00 176.83 176.05 1ug8 h SER 6 N -0.02 0.10 -1.47 3.07 0.02 -2.00 -1.76 113.55 111.49 1ug8 h SER 6 Ca 0.03 0.02 0.48 0.00 -0.84 0.00 0.00 61.79 61.48 1ug8 h SER 6 Cb 0.10 0.01 -0.12 0.00 0.14 0.00 0.00 62.40 62.53 1ug8 h SER 6 CO -0.20 0.09 0.98 0.61 -1.14 0.00 0.00 176.83 177.17 1ug8 n GLY 7 N -1.17 -0.84 0.26 -3.77 0.00 -0.09 0.11 105.19 99.69 1ug8 n GLY 7 Ca -0.02 0.71 -0.10 0.00 0.00 0.00 0.00 46.02 46.61 1ug8 n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ug8 h ASP 8 N 0.00 -0.68 0.64 1.61 3.58 -0.14 -1.51 116.42 119.93 1ug8 h ASP 8 Ca 0.86 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 58.28 1ug8 h ASP 8 Cb 2.95 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 44.20 1ug8 h ASP 8 CO -0.33 -0.36 -0.35 0.06 -2.88 0.00 0.00 179.24 175.38 1ug8 h GLN 9 N -0.55 0.00 -0.87 0.28 3.07 -0.48 -2.86 115.11 113.70 1ug8 h GLN 9 Ca -0.04 0.00 0.13 0.00 0.09 0.00 0.00 58.65 58.83 1ug8 h GLN 9 Cb 0.46 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.94 1ug8 h GLN 9 CO -0.00 0.35 0.48 -0.22 0.09 0.00 0.00 178.83 179.53 1ug8 h LYS 10 N 0.00 0.70 -0.43 0.06 3.64 0.12 0.98 116.57 121.64 1ug8 h LYS 10 Ca -0.00 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1ug8 h LYS 10 Cb 0.76 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1ug8 h LYS 10 CO 0.05 0.46 -0.26 0.87 -2.27 0.00 0.00 179.45 178.30 1ug8 h LYS 11 N 0.72 0.92 0.41 1.90 1.57 -1.05 -0.07 116.57 120.98 1ug8 h LYS 11 Ca 0.45 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1ug8 h LYS 11 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ug8 h LYS 11 CO -0.32 1.06 -0.20 0.35 -0.57 0.00 0.00 179.45 179.78 1ug8 h PHE 12 N 0.78 -0.51 -0.26 -1.35 3.04 -0.74 -1.08 116.94 116.83 1ug8 h PHE 12 Ca 0.09 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.08 1ug8 h PHE 12 Cb 0.83 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.47 1ug8 h PHE 12 CO 0.05 -0.19 -0.01 0.97 -2.02 0.00 0.00 178.31 177.11 1ug8 h ILE 13 N -0.84 0.81 -0.23 1.41 6.09 0.83 -1.94 117.51 123.65 1ug8 h ILE 13 Ca -0.06 -0.02 0.06 0.00 -1.37 0.00 0.00 64.86 63.47 1ug8 h ILE 13 Cb 0.55 0.73 -0.07 0.00 0.47 0.00 0.00 36.82 38.50 1ug8 h ILE 13 CO 0.09 0.01 -0.32 -0.78 -3.07 0.00 0.00 178.15 174.09 1ug8 h ASP 14 N 0.07 -1.02 -0.99 2.19 1.82 -1.00 0.24 116.42 117.74 1ug8 h ASP 14 Ca 0.12 0.16 0.26 0.00 -0.39 0.00 0.00 57.03 57.18 1ug8 h ASP 14 Cb 0.16 0.45 -0.13 0.00 0.68 0.00 0.00 39.33 40.49 1ug8 h ASP 14 CO -0.21 -0.34 0.56 1.56 -1.61 0.00 0.00 179.24 179.20 1ug8 h GLN 15 N -0.34 0.48 -0.02 0.28 4.20 -0.57 0.21 115.11 119.36 1ug8 h GLN 15 Ca 0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1ug8 h GLN 15 Cb 0.54 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ug8 h GLN 15 CO -0.42 0.32 -0.00 0.28 -0.67 0.00 0.00 178.83 178.34 1ug8 h VAL 16 N 0.49 1.28 -0.97 -0.54 2.07 0.02 -3.03 116.25 115.58 1ug8 h VAL 16 Ca 0.66 -0.85 0.21 0.00 0.82 0.00 0.00 66.70 67.54 1ug8 h VAL 16 Cb 1.31 1.81 -0.18 0.00 -1.52 0.00 0.00 31.29 32.71 1ug8 h VAL 16 CO -0.52 0.23 -0.18 0.40 0.02 0.00 0.00 177.57 177.52 1ug8 h ILE 17 N -0.30 0.03 -0.32 4.57 1.08 0.24 0.88 117.51 123.69 1ug8 h ILE 17 Ca 0.01 -0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1ug8 h ILE 17 Cb 0.37 0.03 -0.07 0.00 -3.07 0.00 0.00 36.82 34.08 1ug8 h ILE 17 CO 0.00 0.00 -0.14 -0.33 -0.69 0.00 0.00 178.15 176.99 1ug8 h GLU 18 N 0.00 -0.08 -0.92 2.37 4.39 -1.27 0.59 114.58 119.65 1ug8 h GLU 18 Ca 0.49 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.31 1ug8 h GLU 18 Cb 0.83 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.43 1ug8 h GLU 18 CO -0.97 -0.06 0.59 0.87 -1.16 0.00 0.00 179.01 178.28 1ug8 h LYS 19 N -0.09 0.87 0.58 2.33 1.57 0.73 -2.16 116.57 120.42 1ug8 h LYS 19 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1ug8 h LYS 19 Cb 0.33 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1ug8 h LYS 19 CO -0.38 0.58 -0.28 0.82 -0.57 0.00 0.00 179.45 179.62 1ug8 h ILE 20 N 0.90 0.16 -0.42 1.86 2.04 0.12 -2.55 117.51 119.62 1ug8 h ILE 20 Ca 0.44 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1ug8 h ILE 20 Cb 0.45 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1ug8 h ILE 20 CO -0.20 0.03 -0.25 -0.62 0.00 0.00 0.00 178.15 177.11 1ug8 n GLU 21 N -5.31 -0.19 -0.12 2.37 1.02 0.18 -0.05 120.64 118.54 1ug8 n GLU 21 Ca -0.11 1.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.93 1ug8 n GLU 21 Cb 0.33 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.72 -0.23 1.62 1.82 -1.48 1.32 116.42 117.76 1ug8 h ASP 22 Ca 0.07 0.23 0.07 0.00 -0.39 0.00 0.00 57.03 57.01 1ug8 h ASP 22 Cb 0.17 0.71 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1ug8 h ASP 22 CO -0.40 -0.40 0.58 0.15 -1.61 0.00 0.00 179.24 177.56 1ug8 h PHE 23 N -0.40 0.00 0.00 0.28 3.57 -0.03 1.67 116.94 122.03 1ug8 h PHE 23 Ca 0.09 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.32 1ug8 h PHE 23 Cb 0.61 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 1ug8 h PHE 23 CO -0.68 0.00 -1.85 1.28 -2.23 0.00 0.00 178.31 174.83 1ug8 n LEU 24 N -3.09 0.56 0.06 0.59 4.77 0.38 -3.94 117.00 116.34 1ug8 n LEU 24 Ca 0.04 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1ug8 n LEU 24 Cb 0.69 0.23 0.36 0.00 -2.33 0.00 0.00 43.42 42.37 1ug8 n LEU 24 CO 0.16 0.34 0.70 0.00 -1.33 0.00 0.00 177.39 177.25 1ug8 n GLN 25 N -2.87 0.20 -3.34 3.23 10.64 0.50 -4.81 117.38 120.92 1ug8 n GLN 25 Ca -0.19 0.12 -0.38 0.00 -1.83 0.00 0.00 57.00 54.72 1ug8 n GLN 25 Cb 1.00 -1.69 -0.06 0.00 -0.86 0.00 0.00 30.24 28.64 1ug8 n GLN 25 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ug8 s SER 26 N -4.03 6.97 -0.08 2.61 0.15 0.27 -4.99 113.70 114.59 1ug8 s SER 26 Ca 0.10 1.16 -0.04 0.00 0.70 0.00 0.00 55.95 57.87 1ug8 s SER 26 Cb 0.14 -2.32 -0.27 0.00 -1.71 0.00 0.00 66.02 61.86 1ug8 s SER 26 CO 0.63 0.26 0.52 1.05 1.20 0.00 0.00 173.24 176.91 1ug8 h GLU 27 N 4.43 0.24 0.32 5.44 4.11 -1.88 -3.38 114.58 123.85 1ug8 h GLU 27 Ca -0.50 -0.41 -0.02 0.00 0.07 0.00 0.00 59.36 58.50 1ug8 h GLU 27 Cb 1.21 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ug8 h GLU 27 CO 0.63 1.10 -0.15 0.93 0.07 0.00 0.00 179.01 181.59 1ug8 h GLU 28 N 0.07 -0.41 -6.00 1.06 5.08 -1.95 -3.44 114.58 108.99 1ug8 h GLU 28 Ca -0.37 0.03 -0.81 0.00 -1.00 0.00 0.00 59.36 57.21 1ug8 h GLU 28 Cb 2.04 0.09 0.04 0.00 0.50 0.00 0.00 28.75 31.42 1ug8 h GLU 28 CO 0.11 -0.09 0.24 1.63 -1.00 0.00 0.00 179.01 179.91 1ug8 n LYS 29 N -5.13 0.02 -0.02 2.33 5.02 -1.26 -4.83 118.16 114.29 1ug8 n LYS 29 Ca -0.09 0.01 -0.02 0.00 -2.02 0.00 0.00 58.31 56.18 1ug8 n LYS 29 Cb 0.27 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 2.23 2.37 -3.69 1.97 5.12 -1.26 -4.95 116.66 118.45 1ug8 n ARG 30 Ca 0.23 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.02 1ug8 n ARG 30 Cb 0.04 -1.09 -0.13 0.00 -1.16 0.00 0.00 32.46 30.12 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 -3.77 0.19 0.21 0.55 1.04 -1.26 -1.65 113.70 109.02 1ug8 s SER 31 Ca -0.03 0.54 -0.14 0.00 0.48 0.00 0.00 55.95 56.80 1ug8 s SER 31 Cb 0.01 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.61 1ug8 s SER 31 CO 0.14 -0.22 0.61 -0.22 0.98 0.00 0.00 173.24 174.54 1ug8 s LEU 32 N 2.02 4.24 -0.17 2.42 2.96 0.18 -4.89 118.68 125.44 1ug8 s LEU 32 Ca -0.02 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1ug8 s LEU 32 Cb -0.11 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.02 1ug8 s LEU 32 CO -0.08 -0.01 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.20 1ug8 s GLU 33 N -2.39 2.16 0.58 1.98 2.02 -1.26 0.69 118.70 122.48 1ug8 s GLU 33 Ca 0.44 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.77 1ug8 s GLU 33 Cb -0.13 -2.27 0.07 0.00 0.10 0.00 0.00 34.13 31.90 1ug8 s GLU 33 CO 0.20 -0.34 0.81 -0.51 0.02 0.00 0.00 175.26 175.44 1ug8 s LEU 34 N 1.44 3.21 0.37 1.80 1.43 -0.42 -5.02 118.68 121.49 1ug8 s LEU 34 Ca 0.02 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 1ug8 s LEU 34 Cb -0.15 -2.20 -0.10 0.00 0.03 0.00 0.00 46.19 43.78 1ug8 s LEU 34 CO -0.09 -1.34 0.82 1.51 0.23 0.00 0.00 176.35 177.48 1ug8 s ASP 35 N -4.57 6.84 -0.09 2.29 1.47 -1.26 -4.35 116.67 116.99 1ug8 s ASP 35 Ca 0.61 1.45 -0.30 0.00 1.18 0.00 0.00 52.55 55.49 1ug8 s ASP 35 Cb -0.07 -2.44 -0.03 0.00 -0.34 0.00 0.00 42.92 40.04 1ug8 s ASP 35 CO 0.39 -0.27 1.24 -2.16 0.68 0.00 0.00 175.17 175.05 1ug8 s PRO 36 N -3.07 4.30 0.37 2.11 0.04 -1.26 -4.43 135.00 133.07 1ug8 s PRO 36 Ca 0.57 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 63.26 1ug8 s PRO 36 Cb -0.10 -3.63 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 1ug8 s PRO 36 CO 0.16 -0.55 0.66 0.00 0.04 0.00 0.00 177.00 177.31 1ug8 h THR 38 N 0.89 0.70 0.00 0.00 1.03 -1.97 -3.46 112.91 110.09 1ug8 h THR 38 Ca -0.48 -0.70 0.00 0.00 -0.01 0.00 0.00 66.41 65.22 1ug8 h THR 38 Cb 1.20 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.71 1ug8 h THR 38 CO 0.64 0.17 0.00 0.61 -0.01 0.00 0.00 175.52 176.92 1ug8 n GLY 39 N -0.59 2.43 0.27 2.99 0.00 -1.26 -5.01 105.19 104.04 1ug8 n GLY 39 Ca -0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.64 -0.94 1.61 3.04 -2.01 -2.29 116.94 115.71 1ug8 h PHE 40 Ca 0.00 -0.02 0.26 0.00 3.98 0.00 0.00 57.97 62.19 1ug8 h PHE 40 Cb 0.00 0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.67 1ug8 h PHE 40 CO 0.00 -0.40 0.66 1.96 -2.02 0.00 0.00 178.31 178.51 1ug8 h GLN 41 N -0.74 0.10 0.20 1.11 4.20 -1.94 0.66 115.11 118.69 1ug8 h GLN 41 Ca -0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1ug8 h GLN 41 Cb 0.53 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1ug8 h GLN 41 CO 0.12 0.06 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.14 1ug8 h ARG 42 N 0.10 -0.28 -0.60 1.46 2.43 -1.82 -0.79 114.38 114.88 1ug8 h ARG 42 Ca 0.46 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.70 1ug8 h ARG 42 Cb 1.66 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.23 1ug8 h ARG 42 CO -0.06 -0.18 0.40 1.57 -1.51 0.00 0.00 179.97 180.18 1ug8 h LYS 43 N -0.29 0.62 0.90 0.20 2.10 -0.32 -2.17 116.57 117.61 1ug8 h LYS 43 Ca -0.02 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.55 1ug8 h LYS 43 Cb 0.23 -0.14 0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1ug8 h LYS 43 CO 0.03 0.41 -0.45 -0.07 -2.00 0.00 0.00 179.45 177.38 1ug8 h LEU 44 N 0.64 -1.07 -0.75 7.07 3.38 -0.73 0.79 115.31 124.64 1ug8 h LEU 44 Ca 0.25 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.38 1ug8 h LEU 44 Cb 0.19 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.09 1ug8 h LEU 44 CO -0.07 -0.74 -0.39 0.40 0.09 0.00 0.00 178.44 177.72 1ug8 h ILE 45 N -1.22 0.08 -0.38 1.22 2.04 -0.73 1.08 117.51 119.59 1ug8 h ILE 45 Ca -0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1ug8 h ILE 45 Cb 0.94 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1ug8 h ILE 45 CO 0.19 0.00 0.14 1.88 0.00 0.00 0.00 178.15 180.36 1ug8 h TYR 46 N -0.11 0.53 -0.38 1.37 0.05 -1.24 0.29 116.97 117.49 1ug8 h TYR 46 Ca 0.25 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.92 1ug8 h TYR 46 Cb 0.56 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 1ug8 h TYR 46 CO -0.76 0.44 -0.16 1.96 -1.05 0.00 0.00 178.16 178.58 1ug8 h GLN 47 N 0.54 0.69 0.03 4.88 1.08 0.78 -0.45 115.11 122.66 1ug8 h GLN 47 Ca 0.13 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1ug8 h GLN 47 Cb 0.14 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1ug8 h GLN 47 CO -0.01 0.82 -0.01 1.15 -0.95 0.00 0.00 178.83 179.83 1ug8 h THR 48 N 0.62 0.00 -0.50 -0.54 2.02 0.13 -3.29 112.91 111.35 1ug8 h THR 48 Ca 0.10 -0.45 0.14 0.00 0.77 0.00 0.00 66.41 66.97 1ug8 h THR 48 Cb 0.63 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1ug8 h THR 48 CO 0.04 0.00 0.69 -0.07 0.37 0.00 0.00 175.52 176.55 1ug8 h LEU 49 N -0.49 0.00 -0.87 2.58 3.38 -0.55 1.68 115.31 121.05 1ug8 h LEU 49 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1ug8 h LEU 49 Cb 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 1ug8 h LEU 49 CO 0.01 0.00 0.48 -1.28 0.09 0.00 0.00 178.44 177.74 1ug8 h SER 50 N 0.00 0.64 0.00 -0.43 0.87 -1.14 0.44 113.55 113.94 1ug8 h SER 50 Ca 0.24 0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.69 1ug8 h SER 50 Cb 1.60 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.49 1ug8 h SER 50 CO -0.00 0.31 -1.66 -2.67 -0.53 0.00 0.00 176.83 172.28 1ug8 n TRP 51 N -4.79 0.00 -0.28 2.24 4.27 0.18 -3.74 117.44 115.32 1ug8 n TRP 51 Ca 0.16 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.78 1ug8 n TRP 51 Cb 0.38 -0.47 0.21 0.00 -1.36 0.00 0.00 31.31 30.07 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 1.08 -1.49 -2.67 1.57 0.23 -3.36 116.57 111.92 1ug8 h LYS 52 Ca -0.26 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.15 1ug8 h LYS 52 Cb 1.56 -0.24 -0.24 0.00 0.08 0.00 0.00 32.23 33.39 1ug8 h LYS 52 CO 0.01 0.71 -0.67 0.71 -0.57 0.00 0.00 179.45 179.64 1ug8 s TYR 53 N -5.93 -0.65 0.07 -1.35 2.02 0.15 -4.95 117.35 106.71 1ug8 s TYR 53 Ca -0.12 -1.19 -0.15 0.00 -0.37 0.00 0.00 57.07 55.24 1ug8 s TYR 53 Cb 0.18 -0.13 -0.21 0.00 -0.40 0.00 0.00 41.96 41.41 1ug8 s TYR 53 CO 0.80 -1.12 1.21 -1.00 -1.57 0.00 0.00 175.55 173.87 1ug8 h PRO 54 N 5.27 0.66 -3.64 -1.71 0.13 -1.63 -3.42 132.00 127.66 1ug8 h PRO 54 Ca 0.13 -0.64 -0.50 0.00 -0.87 0.00 0.00 66.00 64.13 1ug8 h PRO 54 Cb 1.04 0.16 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 1ug8 h PRO 54 CO 0.14 1.24 -0.77 -1.59 -0.23 0.00 0.00 178.00 176.80 1ug8 s LYS 55 N -3.46 0.71 0.00 0.86 0.00 -1.26 -4.81 119.74 111.79 1ug8 s LYS 55 Ca -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 55.97 55.57 1ug8 s LYS 55 Cb 0.07 -1.81 0.00 0.00 0.00 0.00 0.00 37.83 36.09 1ug8 s LYS 55 CO 0.89 -0.53 0.00 0.41 0.00 0.00 0.00 175.35 176.12 1ug8 n GLY 56 N 5.06 1.09 3.33 0.59 0.00 -1.26 -5.01 105.19 108.99 1ug8 n GLY 56 Ca -0.09 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 0.90 -0.21 -0.61 -5.25 -1.26 -0.95 121.20 113.82 1ug8 s ILE 57 Ca 0.00 -2.02 -0.00 0.00 -0.99 0.00 0.00 60.65 57.64 1ug8 s ILE 57 Cb 0.00 -2.43 0.05 0.00 2.95 0.00 0.00 42.46 43.03 1ug8 s ILE 57 CO 0.00 -0.24 -0.04 -2.28 -1.79 0.00 0.00 174.94 170.60 1ug8 s HIS 58 N -3.51 1.92 -0.09 1.37 2.46 -0.57 -4.79 115.29 112.09 1ug8 s HIS 58 Ca 0.31 -1.38 -0.19 0.00 0.47 0.00 0.00 55.06 54.27 1ug8 s HIS 58 Cb 0.07 -1.40 -0.04 0.00 -0.13 0.00 0.00 32.58 31.08 1ug8 s HIS 58 CO 0.10 -0.70 0.51 0.08 -2.47 0.00 0.00 174.74 172.26 1ug8 s VAL 59 N 1.56 5.12 0.02 0.89 1.01 -1.26 -0.64 120.40 127.10 1ug8 s VAL 59 Ca -0.03 1.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1ug8 s VAL 59 Cb -0.17 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1ug8 s VAL 59 CO -0.07 0.35 0.03 -1.83 0.00 0.00 0.00 175.10 173.58 1ug8 s GLU 60 N 0.38 0.41 -0.44 2.72 -1.05 0.22 -4.97 118.70 115.96 1ug8 s GLU 60 Ca 0.28 -0.61 -0.12 0.00 -0.15 0.00 0.00 54.97 54.36 1ug8 s GLU 60 Cb -0.16 0.15 0.07 0.00 -0.44 0.00 0.00 34.13 33.76 1ug8 s GLU 60 CO 0.12 -0.08 0.32 0.99 0.95 0.00 0.00 175.26 177.56 1ug8 s THR 61 N -1.74 4.69 -0.12 1.83 2.01 -1.26 0.74 115.64 121.79 1ug8 s THR 61 Ca -0.13 -1.23 -0.08 0.00 0.31 0.00 0.00 61.69 60.57 1ug8 s THR 61 Cb -0.07 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1ug8 s THR 61 CO -0.01 -0.53 0.15 -0.76 -0.69 0.00 0.00 174.62 172.78 1ug8 s LEU 62 N 1.53 4.38 -0.10 4.42 1.43 -0.57 -4.85 118.68 124.93 1ug8 s LEU 62 Ca 0.03 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1ug8 s LEU 62 Cb -0.23 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.90 1ug8 s LEU 62 CO 0.04 0.39 -0.17 -0.70 0.23 0.00 0.00 176.35 176.14 1ug8 s GLU 63 N -0.93 2.37 0.00 1.70 2.12 -1.26 0.69 118.70 123.39 1ug8 s GLU 63 Ca 0.15 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1ug8 s GLU 63 Cb -0.12 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1ug8 s GLU 63 CO 0.04 0.03 0.00 0.25 -0.54 0.00 0.00 175.26 175.04 1ug8 n THR 64 N 3.89 0.00 -0.05 -1.70 -2.24 -1.26 -4.83 114.28 108.10 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 1.25 -0.01 3.42 2.03 -1.26 -3.92 116.55 118.07 1ug8 n ASP 65 Ca 0.00 0.44 -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 39.53 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 -0.68 0.23 -0.09 -0.67 2.10 -2.04 -3.37 116.57 112.05 1ug8 h LYS 66 Ca 0.00 -0.40 0.02 0.00 -2.00 0.00 0.00 60.65 58.27 1ug8 h LYS 66 Cb 0.43 0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 1ug8 h LYS 66 CO 0.00 1.19 -0.02 -0.22 -2.00 0.00 0.00 179.45 178.40 1ug8 h LYS 67 N -0.15 0.01 -2.06 0.07 3.64 -1.99 -3.48 116.57 112.61 1ug8 h LYS 67 Ca -0.39 -0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.21 1ug8 h LYS 67 Cb 1.89 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.61 1ug8 h LYS 67 CO 0.04 0.00 -0.58 0.39 -2.27 0.00 0.00 179.45 177.03 1ug8 n GLU 68 N -5.13 -1.92 -1.37 1.90 1.02 -1.25 -4.64 120.64 109.25 1ug8 n GLU 68 Ca -0.05 1.46 -0.53 0.00 -0.02 0.00 0.00 57.16 58.01 1ug8 n GLU 68 Cb 0.07 -2.29 -0.10 0.00 -0.02 0.00 0.00 31.44 29.11 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 -3.58 0.48 -4.08 3.49 0.00 -1.23 -3.98 116.66 107.76 1ug8 n ARG 69 Ca -0.03 0.12 -0.14 0.00 -0.00 0.00 0.00 57.85 57.81 1ug8 n ARG 69 Cb 0.41 -1.97 -0.13 0.00 0.00 0.00 0.00 32.46 30.77 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 7.08 0.50 0.21 -0.14 -3.43 0.22 -4.63 115.29 115.10 1ug8 s HIS 70 Ca 1.17 -0.31 -0.30 0.00 -0.80 0.00 0.00 55.06 54.82 1ug8 s HIS 70 Cb -1.16 -0.31 -0.09 0.00 -1.43 0.00 0.00 32.58 29.59 1ug8 s HIS 70 CO 0.56 -0.06 1.31 0.42 -2.00 0.00 0.00 174.74 174.97 1ug8 s ILE 71 N -0.81 3.17 -0.02 -5.38 1.01 -1.26 -1.51 121.20 116.40 1ug8 s ILE 71 Ca -0.05 0.97 0.02 0.00 0.00 0.00 0.00 60.65 61.59 1ug8 s ILE 71 Cb -0.06 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1ug8 s ILE 71 CO 0.00 0.15 -0.07 -0.69 0.00 0.00 0.00 174.94 174.33 1ug8 s VAL 72 N 0.04 0.62 0.15 2.92 1.01 0.23 -1.30 120.40 124.08 1ug8 s VAL 72 Ca 0.56 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.32 1ug8 s VAL 72 Cb -0.37 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1ug8 s VAL 72 CO 0.39 0.20 0.01 -0.63 0.00 0.00 0.00 175.10 175.07 1ug8 s ILE 73 N 0.14 3.83 0.11 2.22 1.09 0.22 0.70 121.20 129.51 1ug8 s ILE 73 Ca -0.02 -1.31 0.01 0.00 -1.10 0.00 0.00 60.65 58.24 1ug8 s ILE 73 Cb -0.07 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.39 1ug8 s ILE 73 CO 0.00 -0.06 -0.03 -0.55 -0.10 0.00 0.00 174.94 174.20 1ug8 s SER 74 N -2.81 0.95 -0.15 3.58 0.15 0.19 0.52 113.70 116.13 1ug8 s SER 74 Ca 0.27 -1.07 -0.26 0.00 0.70 0.00 0.00 55.95 55.59 1ug8 s SER 74 Cb -0.10 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.34 1ug8 s SER 74 CO 0.19 -0.54 0.85 -0.54 1.20 0.00 0.00 173.24 174.40 1ug8 s LYS 75 N -3.89 4.32 0.20 5.44 1.02 -0.66 -1.51 119.74 124.66 1ug8 s LYS 75 Ca 0.15 1.07 0.09 0.00 0.02 0.00 0.00 55.97 57.31 1ug8 s LYS 75 Cb 0.06 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1ug8 s LYS 75 CO -0.03 -0.31 -0.18 0.08 -0.92 0.00 0.00 175.35 173.99 1ug8 s VAL 76 N 2.06 1.99 0.03 3.17 1.01 -0.13 -4.84 120.40 123.70 1ug8 s VAL 76 Ca 0.40 -2.09 0.01 0.00 0.00 0.00 0.00 61.98 60.30 1ug8 s VAL 76 Cb -0.17 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1ug8 s VAL 76 CO 0.13 -0.37 -0.06 -0.62 0.00 0.00 0.00 175.10 174.19 1ug8 s ASP 77 N -2.98 0.58 0.06 3.32 2.15 -1.26 -4.51 116.67 114.03 1ug8 s ASP 77 Ca 0.21 -0.54 -0.25 0.00 0.43 0.00 0.00 52.55 52.39 1ug8 s ASP 77 Cb -0.05 0.07 -0.13 0.00 -0.30 0.00 0.00 42.92 42.51 1ug8 s ASP 77 CO 0.09 -0.25 1.39 -0.08 -0.17 0.00 0.00 175.17 176.15 1ug8 h GLU 78 N 4.54 -0.73 -0.84 4.34 4.81 -1.94 -2.45 114.58 122.31 1ug8 h GLU 78 Ca -0.34 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1ug8 h GLU 78 Cb 1.20 0.16 -0.13 0.00 0.63 0.00 0.00 28.75 30.62 1ug8 h GLU 78 CO 0.41 -0.48 -0.48 0.93 -0.73 0.00 0.00 179.01 178.66 1ug8 h GLU 79 N -0.75 -0.09 -0.07 1.92 4.39 -1.98 -1.69 114.58 116.31 1ug8 h GLU 79 Ca -0.05 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1ug8 h GLU 79 Cb 0.64 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1ug8 h GLU 79 CO -0.01 -0.06 -0.04 0.93 -1.16 0.00 0.00 179.01 178.67 1ug8 h GLU 80 N -0.09 -0.00 -6.26 2.33 3.07 -1.94 -3.38 114.58 108.31 1ug8 h GLU 80 Ca 0.22 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.41 1ug8 h GLU 80 Cb 0.52 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.46 1ug8 h GLU 80 CO -0.86 -0.00 0.92 -2.13 -1.40 0.00 0.00 179.01 175.54 1ug8 n ARG 81 N -3.13 1.70 0.03 2.33 0.63 -0.64 -4.86 116.66 112.72 1ug8 n ARG 81 Ca 0.00 0.62 -0.12 0.00 -0.92 0.00 0.00 57.85 57.43 1ug8 n ARG 81 Cb 0.02 -2.38 -0.07 0.00 0.45 0.00 0.00 32.46 30.49 1ug8 n ARG 81 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1ug8 h SER 82 N 7.58 0.02 -2.45 6.15 0.87 -1.81 -3.47 113.55 120.45 1ug8 h SER 82 Ca -0.47 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1ug8 h SER 82 Cb 1.29 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1ug8 h SER 82 CO 0.93 0.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.86 1ug8 n GLY 83 N -1.08 4.37 3.57 5.77 0.00 -1.26 -5.02 105.19 111.54 1ug8 n GLY 83 Ca -0.07 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.38 3.20 0.05 1.61 0.04 -1.26 -4.80 135.00 130.47 1ug8 s PRO 84 Ca 0.00 -1.31 -0.32 0.00 0.04 0.00 0.00 61.00 59.41 1ug8 s PRO 84 Cb 0.00 -5.34 -0.17 0.00 0.04 0.00 0.00 34.50 29.03 1ug8 s PRO 84 CO 0.00 -3.00 1.48 1.03 0.04 0.00 0.00 177.00 176.55 1ug8 h SER 85 N 9.24 -0.99 0.06 6.66 0.87 -2.04 -3.17 113.55 124.19 1ug8 h SER 85 Ca 0.27 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 1ug8 h SER 85 Cb 0.94 0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 63.11 1ug8 h SER 85 CO 1.34 -0.69 -0.37 -1.28 -0.53 0.00 0.00 176.83 175.31 1ug8 h SER 86 N -1.12 -1.08 -0.00 6.23 0.87 -2.07 -3.57 113.55 112.81 1ug8 h SER 86 Ca -0.11 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ug8 h SER 86 Cb 0.87 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1ug8 h SER 86 CO 0.17 -0.43 0.00 0.61 -0.53 0.00 0.00 176.83 176.65