#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 -0.71 0.05 1.61 2.88 -1.26 -5.01 113.62 111.19 1ug8 n SER 2 Ca 0.00 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1ug8 n SER 2 Cb 0.00 0.85 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1ug8 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug8 n SER 3 N -3.38 0.54 -0.40 -3.46 7.64 -1.26 -4.70 113.62 108.60 1ug8 n SER 3 Ca 0.00 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.95 1ug8 n SER 3 Cb 0.00 -0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.03 1ug8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug8 n GLY 4 N 3.00 -2.40 0.14 0.23 0.00 -1.26 -1.19 105.19 103.72 1ug8 n GLY 4 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 46.02 47.10 1ug8 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ug8 h SER 5 N 0.00 -0.64 -0.97 1.61 0.02 -1.95 -0.47 113.55 111.16 1ug8 h SER 5 Ca 0.18 0.09 0.13 0.00 -0.84 0.00 0.00 61.79 61.35 1ug8 h SER 5 Cb 0.42 0.27 -0.15 0.00 0.14 0.00 0.00 62.40 63.08 1ug8 h SER 5 CO -0.90 -0.11 -0.42 -1.20 -1.14 0.00 0.00 176.83 173.05 1ug8 n SER 6 N -3.62 -0.72 -0.37 3.07 7.64 -0.33 0.39 113.62 119.67 1ug8 n SER 6 Ca -0.00 1.70 0.01 0.00 1.01 0.00 0.00 58.87 61.58 1ug8 n SER 6 Cb 0.10 -0.35 0.08 0.00 -1.01 0.00 0.00 64.21 63.03 1ug8 n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ug8 h GLY 7 N 0.00 0.30 -0.34 0.23 0.00 0.27 0.94 103.07 104.48 1ug8 h GLY 7 Ca 0.29 0.45 0.13 0.00 0.00 0.00 0.00 47.33 48.20 1ug8 h GLY 7 CO -0.95 -0.26 -0.19 -1.80 0.00 0.00 0.00 176.54 173.34 1ug8 h ASP 8 N -0.00 -0.69 -0.36 0.19 1.82 0.53 0.65 116.42 118.56 1ug8 h ASP 8 Ca 0.39 0.20 -0.11 0.00 -0.39 0.00 0.00 57.03 57.13 1ug8 h ASP 8 Cb 0.64 0.43 -0.01 0.00 0.68 0.00 0.00 39.33 41.08 1ug8 h ASP 8 CO -1.00 -0.23 -0.20 1.56 -1.61 0.00 0.00 179.24 177.76 1ug8 h GLN 9 N -0.02 0.77 -0.60 0.28 7.50 0.63 -2.02 115.11 121.64 1ug8 h GLN 9 Ca 0.31 -0.35 0.13 0.00 0.50 0.00 0.00 58.65 59.24 1ug8 h GLN 9 Cb 0.50 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.97 1ug8 h GLN 9 CO -0.68 0.96 0.41 0.87 -1.50 0.00 0.00 178.83 178.89 1ug8 h LYS 10 N 0.56 0.27 0.38 1.46 6.56 0.33 0.35 116.57 126.47 1ug8 h LYS 10 Ca 0.08 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1ug8 h LYS 10 Cb 0.75 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1ug8 h LYS 10 CO 0.06 0.18 -0.18 0.87 -2.06 0.00 0.00 179.45 178.32 1ug8 h LYS 11 N 0.28 -0.49 -0.35 3.15 1.57 0.51 -1.30 116.57 119.95 1ug8 h LYS 11 Ca 0.29 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.18 1ug8 h LYS 11 Cb 0.75 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.08 1ug8 h LYS 11 CO -0.06 -0.32 -0.27 0.35 -0.57 0.00 0.00 179.45 178.57 1ug8 h PHE 12 N -1.11 -0.72 -0.11 -1.35 3.04 -0.81 0.22 116.94 116.09 1ug8 h PHE 12 Ca -0.05 0.05 0.04 0.00 3.98 0.00 0.00 57.97 61.98 1ug8 h PHE 12 Cb 0.39 0.37 -0.04 0.00 2.56 0.00 0.00 35.95 39.23 1ug8 h PHE 12 CO 0.00 -0.34 -0.13 0.97 -2.02 0.00 0.00 178.31 176.79 1ug8 h ILE 13 N -0.22 0.65 -0.25 1.41 6.09 -0.44 -1.92 117.51 122.84 1ug8 h ILE 13 Ca 0.17 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.72 1ug8 h ILE 13 Cb 0.49 0.65 -0.08 0.00 0.47 0.00 0.00 36.82 38.36 1ug8 h ILE 13 CO -0.48 0.00 -0.37 0.44 -3.07 0.00 0.00 178.15 174.67 1ug8 h ASP 14 N -0.16 -1.20 -0.99 2.19 3.32 -0.04 0.28 116.42 119.82 1ug8 h ASP 14 Ca 0.08 0.18 0.29 0.00 0.02 0.00 0.00 57.03 57.60 1ug8 h ASP 14 Cb 0.28 0.52 -0.14 0.00 0.22 0.00 0.00 39.33 40.21 1ug8 h ASP 14 CO -0.21 -0.37 0.53 1.56 -1.72 0.00 0.00 179.24 179.03 1ug8 h GLN 15 N -0.38 0.36 -0.05 3.56 4.20 -0.05 0.36 115.11 123.12 1ug8 h GLN 15 Ca 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1ug8 h GLN 15 Cb 0.58 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ug8 h GLN 15 CO -0.45 0.24 -0.02 0.28 -0.67 0.00 0.00 178.83 178.21 1ug8 h VAL 16 N 0.37 1.32 -0.99 -0.54 2.07 0.13 -2.95 116.25 115.67 1ug8 h VAL 16 Ca 0.69 -1.01 0.36 0.00 0.82 0.00 0.00 66.70 67.55 1ug8 h VAL 16 Cb 1.49 1.91 -0.18 0.00 -1.52 0.00 0.00 31.29 33.00 1ug8 h VAL 16 CO -0.58 0.27 0.38 0.40 0.02 0.00 0.00 177.57 178.06 1ug8 h ILE 17 N -0.29 0.05 -0.31 4.57 1.08 0.29 1.46 117.51 124.36 1ug8 h ILE 17 Ca 0.01 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1ug8 h ILE 17 Cb 0.45 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1ug8 h ILE 17 CO 0.01 0.01 0.16 -0.33 -0.69 0.00 0.00 178.15 177.31 1ug8 h GLU 18 N 0.05 0.33 -0.99 2.37 4.39 -1.20 0.58 114.58 120.11 1ug8 h GLU 18 Ca 0.75 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.52 1ug8 h GLU 18 Cb 1.83 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 30.33 1ug8 h GLU 18 CO -0.79 0.22 0.63 0.87 -1.16 0.00 0.00 179.01 178.78 1ug8 h LYS 19 N 0.34 1.03 0.36 2.33 1.57 0.20 0.01 116.57 122.41 1ug8 h LYS 19 Ca 0.13 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1ug8 h LYS 19 Cb 0.03 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1ug8 h LYS 19 CO -0.08 0.68 -0.17 0.82 -0.57 0.00 0.00 179.45 180.13 1ug8 h ILE 20 N 1.06 0.00 -0.91 1.86 2.04 -0.23 -1.84 117.51 119.48 1ug8 h ILE 20 Ca 0.46 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 66.03 1ug8 h ILE 20 Cb 0.35 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.30 1ug8 h ILE 20 CO -0.21 0.00 -0.47 -0.62 0.00 0.00 0.00 178.15 176.85 1ug8 n GLU 21 N -4.38 -0.33 -0.02 2.37 -0.58 0.20 0.10 120.64 117.99 1ug8 n GLU 21 Ca -0.06 1.39 -0.09 0.00 -0.42 0.00 0.00 57.16 57.98 1ug8 n GLU 21 Cb 0.19 -2.05 -0.02 0.00 -0.57 0.00 0.00 31.44 28.99 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 -0.50 -0.20 1.62 1.82 -1.08 0.35 116.42 118.42 1ug8 h ASP 22 Ca 0.21 0.10 0.06 0.00 -0.39 0.00 0.00 57.03 57.01 1ug8 h ASP 22 Cb 0.44 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 1ug8 h ASP 22 CO -0.88 -0.20 0.19 0.15 -1.61 0.00 0.00 179.24 176.89 1ug8 h PHE 23 N -0.17 0.00 0.00 0.28 3.57 0.11 0.67 116.94 121.40 1ug8 h PHE 23 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1ug8 h PHE 23 Cb 0.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1ug8 h PHE 23 CO -0.30 0.00 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.24 1ug8 h LEU 24 N 0.00 0.00 0.13 0.59 3.38 0.36 -3.28 115.31 116.49 1ug8 h LEU 24 Ca 0.10 -0.12 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 1ug8 h LEU 24 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ug8 h LEU 24 CO -0.00 0.06 -1.34 1.56 0.09 0.00 0.00 178.44 178.81 1ug8 h GLN 25 N 0.00 0.28 -6.96 1.13 1.08 0.40 -3.46 115.11 107.58 1ug8 h GLN 25 Ca 0.00 -0.48 -0.50 0.00 -1.45 0.00 0.00 58.65 56.23 1ug8 h GLN 25 Cb 0.80 0.18 0.04 0.00 -0.05 0.00 0.00 27.48 28.44 1ug8 h GLN 25 CO 0.00 1.20 0.45 0.45 -0.95 0.00 0.00 178.83 179.98 1ug8 s SER 26 N -7.12 6.60 -0.12 1.46 0.15 -0.52 -4.96 113.70 109.18 1ug8 s SER 26 Ca -0.06 2.19 0.03 0.00 0.70 0.00 0.00 55.95 58.81 1ug8 s SER 26 Cb 0.07 -2.60 -0.24 0.00 -1.71 0.00 0.00 66.02 61.54 1ug8 s SER 26 CO 0.88 -0.61 0.34 -1.84 1.20 0.00 0.00 173.24 173.21 1ug8 n GLU 27 N -0.04 0.70 -0.02 5.44 0.00 -1.26 -4.33 120.64 121.12 1ug8 n GLU 27 Ca 0.05 0.23 -0.12 0.00 0.00 0.00 0.00 57.16 57.31 1ug8 n GLU 27 Cb 0.48 -1.69 -0.08 0.00 0.00 0.00 0.00 31.44 30.15 1ug8 n GLU 27 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1ug8 h GLU 28 N 0.03 0.12 -6.31 3.44 5.08 -1.95 -3.43 114.58 111.56 1ug8 h GLU 28 Ca -0.42 -0.05 -0.66 0.00 -1.00 0.00 0.00 59.36 57.24 1ug8 h GLU 28 Cb 2.03 -0.01 0.05 0.00 0.50 0.00 0.00 28.75 31.33 1ug8 h GLU 28 CO 0.05 0.45 0.56 1.63 -1.00 0.00 0.00 179.01 180.70 1ug8 n LYS 29 N -4.82 1.37 -0.03 2.33 5.02 -1.26 -4.85 118.16 115.92 1ug8 n LYS 29 Ca -0.07 0.50 -0.03 0.00 -2.02 0.00 0.00 58.31 56.69 1ug8 n LYS 29 Cb 0.22 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.03 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 2.91 2.06 -3.72 1.97 5.12 -1.26 -4.95 116.66 118.79 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 0.21 -1.12 -0.13 0.00 -1.16 0.00 0.00 32.46 30.26 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 -3.95 -0.19 0.34 0.55 1.04 -1.26 -1.48 113.70 108.75 1ug8 s SER 31 Ca -0.04 0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.91 1ug8 s SER 31 Cb 0.02 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1ug8 s SER 31 CO 0.17 -0.17 0.52 -0.22 0.98 0.00 0.00 173.24 174.51 1ug8 s LEU 32 N 1.34 3.99 -0.17 2.42 2.96 0.31 -4.92 118.68 124.61 1ug8 s LEU 32 Ca -0.08 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1ug8 s LEU 32 Cb -0.11 -3.06 0.04 0.00 0.50 0.00 0.00 46.19 43.57 1ug8 s LEU 32 CO -0.08 -0.37 -0.05 -1.61 -1.32 0.00 0.00 176.35 172.93 1ug8 s GLU 33 N -4.27 1.40 0.48 1.98 2.02 -1.26 -1.01 118.70 118.04 1ug8 s GLU 33 Ca 0.42 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.80 1ug8 s GLU 33 Cb -0.10 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 1ug8 s GLU 33 CO 0.34 -0.46 0.76 -0.51 0.02 0.00 0.00 175.26 175.41 1ug8 s LEU 34 N 1.62 3.60 0.54 1.80 1.43 -0.24 -5.02 118.68 122.42 1ug8 s LEU 34 Ca -0.00 0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 53.66 1ug8 s LEU 34 Cb -0.16 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 1ug8 s LEU 34 CO -0.08 -0.65 1.07 1.51 0.23 0.00 0.00 176.35 178.43 1ug8 s ASP 35 N -4.15 5.96 -0.42 2.29 -4.77 -1.26 -4.14 116.67 110.17 1ug8 s ASP 35 Ca 0.48 1.98 -0.29 0.00 -3.30 0.00 0.00 52.55 51.42 1ug8 s ASP 35 Cb -0.10 -2.56 0.01 0.00 -1.09 0.00 0.00 42.92 39.18 1ug8 s ASP 35 CO 0.43 -1.05 1.42 -2.16 0.70 0.00 0.00 175.17 174.51 1ug8 s PRO 36 N -3.49 3.54 0.88 2.11 0.04 -1.26 -4.52 135.00 132.30 1ug8 s PRO 36 Ca 0.68 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1ug8 s PRO 36 Cb -0.19 -4.04 0.12 0.00 0.04 0.00 0.00 34.50 30.44 1ug8 s PRO 36 CO 0.27 -1.61 1.12 0.00 0.04 0.00 0.00 177.00 176.82 1ug8 h THR 38 N -1.42 1.51 0.00 0.00 1.35 -1.97 -3.46 112.91 108.93 1ug8 h THR 38 Ca -0.50 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 1ug8 h THR 38 Cb 1.31 3.09 0.00 0.00 -1.73 0.00 0.00 68.15 70.82 1ug8 h THR 38 CO 0.60 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 177.17 1ug8 n GLY 39 N 1.53 -1.64 0.21 5.82 0.00 -1.26 -4.99 105.19 104.86 1ug8 n GLY 39 Ca -0.13 0.64 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.54 -0.96 1.61 3.04 -1.99 -2.27 116.94 115.83 1ug8 h PHE 40 Ca 0.00 -0.00 0.31 0.00 3.98 0.00 0.00 57.97 62.26 1ug8 h PHE 40 Cb 0.00 0.20 -0.17 0.00 2.56 0.00 0.00 35.95 38.54 1ug8 h PHE 40 CO 0.00 -0.29 0.31 1.96 -2.02 0.00 0.00 178.31 178.28 1ug8 h GLN 41 N -0.47 0.11 -0.25 1.11 7.50 -1.96 0.66 115.11 121.81 1ug8 h GLN 41 Ca -0.04 -0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.16 1ug8 h GLN 41 Cb 0.38 -0.03 -0.06 0.00 0.05 0.00 0.00 27.48 27.82 1ug8 h GLN 41 CO 0.03 0.07 -0.16 -0.09 -1.50 0.00 0.00 178.83 177.18 1ug8 h ARG 42 N 0.11 -0.14 0.00 1.46 2.43 -1.81 0.50 114.38 116.93 1ug8 h ARG 42 Ca 0.68 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.79 1ug8 h ARG 42 Cb 1.55 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 1ug8 h ARG 42 CO -0.75 -0.10 -0.31 1.57 -1.51 0.00 0.00 179.97 178.87 1ug8 h LYS 43 N -0.15 0.00 0.30 0.20 2.10 0.72 -2.55 116.57 117.19 1ug8 h LYS 43 Ca 0.14 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 1ug8 h LYS 43 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1ug8 h LYS 43 CO -0.34 0.31 -0.14 -0.07 -2.00 0.00 0.00 179.45 177.20 1ug8 h LEU 44 N 0.00 -0.34 -0.35 7.07 3.38 0.20 0.33 115.31 125.60 1ug8 h LEU 44 Ca -0.00 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1ug8 h LEU 44 Cb 0.59 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1ug8 h LEU 44 CO 0.04 -0.04 -0.22 0.40 0.09 0.00 0.00 178.44 178.71 1ug8 h ILE 45 N -0.66 0.39 -0.04 1.22 2.04 0.06 0.16 117.51 120.68 1ug8 h ILE 45 Ca -0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1ug8 h ILE 45 Cb 0.46 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1ug8 h ILE 45 CO 0.07 0.00 0.00 1.88 0.00 0.00 0.00 178.15 180.10 1ug8 h TYR 46 N -0.17 0.00 -0.38 1.37 0.05 -1.39 0.86 116.97 117.30 1ug8 h TYR 46 Ca 0.18 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.04 1ug8 h TYR 46 Cb 0.45 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.11 1ug8 h TYR 46 CO -0.43 -0.00 -0.23 1.96 -1.05 0.00 0.00 178.16 178.41 1ug8 h GLN 47 N 0.02 -0.16 0.56 4.88 1.08 0.68 0.80 115.11 122.96 1ug8 h GLN 47 Ca 0.02 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1ug8 h GLN 47 Cb 0.02 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1ug8 h GLN 47 CO -0.03 -0.11 -0.27 1.15 -0.95 0.00 0.00 178.83 178.63 1ug8 h THR 48 N -0.16 0.00 -0.49 -0.54 2.02 -0.48 -2.14 112.91 111.12 1ug8 h THR 48 Ca 0.19 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 67.48 1ug8 h THR 48 Cb 0.46 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1ug8 h THR 48 CO -0.48 0.00 0.69 -0.07 0.37 0.00 0.00 175.52 176.02 1ug8 h LEU 49 N -0.78 0.00 -0.94 2.58 3.38 -0.58 1.68 115.31 120.66 1ug8 h LEU 49 Ca -0.08 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.02 1ug8 h LEU 49 Cb 0.57 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1ug8 h LEU 49 CO 0.13 0.00 0.56 -1.28 0.09 0.00 0.00 178.44 177.94 1ug8 h SER 50 N 0.00 0.80 0.00 -0.43 0.87 0.13 0.32 113.55 115.25 1ug8 h SER 50 Ca 0.23 0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.68 1ug8 h SER 50 Cb 1.61 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.44 1ug8 h SER 50 CO -0.00 0.41 -1.63 -2.67 -0.53 0.00 0.00 176.83 172.41 1ug8 n TRP 51 N -4.69 0.00 -0.30 2.24 4.27 0.20 -3.75 117.44 115.41 1ug8 n TRP 51 Ca 0.18 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.78 1ug8 n TRP 51 Cb 0.36 -0.45 0.12 0.00 -1.36 0.00 0.00 31.31 29.98 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 0.94 -1.54 -2.67 1.57 0.22 -3.36 116.57 111.73 1ug8 h LYS 52 Ca -0.25 -0.06 -0.33 0.00 -1.87 0.00 0.00 60.65 58.15 1ug8 h LYS 52 Cb 1.53 -0.21 -0.25 0.00 0.08 0.00 0.00 32.23 33.38 1ug8 h LYS 52 CO 0.00 0.62 -0.69 0.66 -0.57 0.00 0.00 179.45 179.47 1ug8 n TYR 53 N -4.62 -2.68 -0.00 -1.35 4.01 0.11 -4.96 117.16 107.67 1ug8 n TYR 53 Ca 0.11 -2.15 -0.18 0.00 -0.16 0.00 0.00 57.90 55.53 1ug8 n TYR 53 Cb 0.13 1.00 -0.10 0.00 -0.31 0.00 0.00 39.34 40.06 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 5.23 0.52 -4.04 -0.72 0.13 -1.63 -3.42 132.00 128.08 1ug8 h PRO 54 Ca 0.14 -0.50 -0.58 0.00 -0.87 0.00 0.00 66.00 64.19 1ug8 h PRO 54 Cb 1.03 0.13 -0.39 0.00 0.13 0.00 0.00 31.00 31.90 1ug8 h PRO 54 CO 0.16 1.14 -0.77 -1.59 -0.23 0.00 0.00 178.00 176.70 1ug8 s LYS 55 N -3.40 1.23 0.00 0.86 -2.85 -1.26 -4.76 119.74 109.57 1ug8 s LYS 55 Ca -0.12 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1ug8 s LYS 55 Cb 0.05 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 1ug8 s LYS 55 CO 0.85 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1ug8 n GLY 56 N 4.79 1.05 3.26 0.59 0.00 -1.26 -5.10 105.19 108.51 1ug8 n GLY 56 Ca -0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 0.80 -0.30 -0.61 -5.25 -1.26 -0.88 121.20 113.70 1ug8 s ILE 57 Ca 0.00 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.67 1ug8 s ILE 57 Cb 0.00 -2.13 0.09 0.00 2.95 0.00 0.00 42.46 43.38 1ug8 s ILE 57 CO 0.00 -0.48 0.06 -2.28 -1.79 0.00 0.00 174.94 170.45 1ug8 s HIS 58 N -3.57 2.27 -0.42 1.37 2.46 0.29 -4.75 115.29 112.93 1ug8 s HIS 58 Ca 0.24 -2.00 -0.29 0.00 0.47 0.00 0.00 55.06 53.48 1ug8 s HIS 58 Cb 0.06 -1.95 0.02 0.00 -0.13 0.00 0.00 32.58 30.58 1ug8 s HIS 58 CO 0.04 -0.86 1.21 0.08 -2.47 0.00 0.00 174.74 172.74 1ug8 s VAL 59 N 1.42 4.18 0.18 0.89 1.01 -1.26 -1.39 120.40 125.44 1ug8 s VAL 59 Ca 0.07 1.25 0.09 0.00 0.00 0.00 0.00 61.98 63.39 1ug8 s VAL 59 Cb -0.18 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1ug8 s VAL 59 CO -0.17 -0.80 -0.10 -1.83 0.00 0.00 0.00 175.10 172.19 1ug8 s GLU 60 N 4.40 2.04 -0.39 2.72 -1.05 0.20 -4.90 118.70 121.72 1ug8 s GLU 60 Ca 0.52 -1.27 -0.07 0.00 -0.15 0.00 0.00 54.97 54.00 1ug8 s GLU 60 Cb -0.11 -2.16 0.07 0.00 -0.44 0.00 0.00 34.13 31.50 1ug8 s GLU 60 CO 0.28 0.44 0.20 0.99 0.95 0.00 0.00 175.26 178.12 1ug8 s THR 61 N -1.68 3.93 -0.04 1.83 2.01 -1.26 0.67 115.64 121.11 1ug8 s THR 61 Ca 0.24 -1.43 -0.08 0.00 0.31 0.00 0.00 61.69 60.74 1ug8 s THR 61 Cb -0.09 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 1ug8 s THR 61 CO 0.15 -0.44 0.24 -0.76 -0.69 0.00 0.00 174.62 173.12 1ug8 s LEU 62 N 1.37 4.39 -0.08 4.42 1.43 -0.10 -4.85 118.68 125.27 1ug8 s LEU 62 Ca 0.02 0.58 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1ug8 s LEU 62 Cb -0.22 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1ug8 s LEU 62 CO 0.01 0.32 -0.19 -0.70 0.23 0.00 0.00 176.35 176.02 1ug8 s GLU 63 N -1.39 2.44 0.00 1.70 2.12 -1.26 0.52 118.70 122.82 1ug8 s GLU 63 Ca 0.22 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1ug8 s GLU 63 Cb -0.13 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.34 1ug8 s GLU 63 CO 0.11 0.15 0.00 0.25 -0.54 0.00 0.00 175.26 175.23 1ug8 n THR 64 N 3.54 0.00 -0.05 -1.70 -2.24 -1.25 -4.82 114.28 107.76 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 1.26 -0.00 3.42 -0.08 -1.26 -3.95 116.55 115.94 1ug8 n ASP 65 Ca 0.00 0.44 -0.22 0.00 -1.51 0.00 0.00 54.79 53.50 1ug8 n ASP 65 Cb 0.00 -0.73 -0.14 0.00 2.34 0.00 0.00 41.12 42.59 1ug8 n ASP 65 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1ug8 h LYS 66 N -0.68 0.25 0.84 -0.67 2.10 -2.04 -3.38 116.57 112.98 1ug8 h LYS 66 Ca 0.00 -0.42 -0.04 0.00 -2.00 0.00 0.00 60.65 58.19 1ug8 h LYS 66 Cb 0.44 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1ug8 h LYS 66 CO 0.00 1.20 -0.44 -0.22 -2.00 0.00 0.00 179.45 177.99 1ug8 h LYS 67 N -0.09 -1.13 0.00 0.07 1.63 -1.98 -3.49 116.57 111.58 1ug8 h LYS 67 Ca -0.40 0.08 0.07 0.00 -0.85 0.00 0.00 60.65 59.55 1ug8 h LYS 67 Cb 1.93 0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 33.80 1ug8 h LYS 67 CO 0.06 -0.75 -0.09 -1.91 -3.45 0.00 0.00 179.45 173.30 1ug8 n GLU 68 N -5.60 -0.53 -1.53 1.90 2.13 -1.25 -4.53 120.64 111.23 1ug8 n GLU 68 Ca -0.15 0.35 -0.22 0.00 0.66 0.00 0.00 57.16 57.79 1ug8 n GLU 68 Cb 0.48 -0.64 -0.14 0.00 0.27 0.00 0.00 31.44 31.40 1ug8 n GLU 68 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ug8 n ARG 69 N -1.51 0.32 -4.75 5.31 3.00 -1.22 -3.86 116.66 113.96 1ug8 n ARG 69 Ca 0.00 -0.32 -0.30 0.00 -0.01 0.00 0.00 57.85 57.22 1ug8 n ARG 69 Cb 0.12 -2.33 -0.14 0.00 0.00 0.00 0.00 32.46 30.11 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 7.93 2.34 0.33 -1.55 -3.43 0.18 -4.71 115.29 116.39 1ug8 s HIS 70 Ca 1.14 -0.39 -0.27 0.00 -0.80 0.00 0.00 55.06 54.75 1ug8 s HIS 70 Cb -0.56 -1.36 -0.09 0.00 -1.43 0.00 0.00 32.58 29.14 1ug8 s HIS 70 CO 0.35 0.19 1.03 0.42 -2.00 0.00 0.00 174.74 174.72 1ug8 s ILE 71 N -0.88 3.81 -0.03 -5.38 1.01 -1.26 -0.93 121.20 117.55 1ug8 s ILE 71 Ca 0.13 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1ug8 s ILE 71 Cb -0.10 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.49 1ug8 s ILE 71 CO 0.03 0.19 0.01 -0.69 0.00 0.00 0.00 174.94 174.48 1ug8 s VAL 72 N -1.46 0.11 -0.37 2.92 1.01 0.21 -1.07 120.40 121.75 1ug8 s VAL 72 Ca 0.51 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 1ug8 s VAL 72 Cb -0.24 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1ug8 s VAL 72 CO 0.31 0.12 0.23 -0.63 0.00 0.00 0.00 175.10 175.13 1ug8 s ILE 73 N 0.98 4.91 -0.13 2.22 1.09 -0.18 0.60 121.20 130.69 1ug8 s ILE 73 Ca -0.09 -0.61 -0.02 0.00 -1.10 0.00 0.00 60.65 58.83 1ug8 s ILE 73 Cb -0.13 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.59 1ug8 s ILE 73 CO -0.02 -0.17 -0.07 -0.44 -0.10 0.00 0.00 174.94 174.14 1ug8 s SER 74 N 1.63 4.50 0.40 3.58 0.01 -0.48 0.11 113.70 123.46 1ug8 s SER 74 Ca 0.04 -0.18 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 1ug8 s SER 74 Cb -0.18 -1.63 -0.11 0.00 0.21 0.00 0.00 66.02 64.31 1ug8 s SER 74 CO 0.08 0.20 1.09 0.29 0.41 0.00 0.00 173.24 175.31 1ug8 n LYS 75 N 3.33 1.53 -4.45 12.44 5.02 -0.55 0.10 118.16 135.58 1ug8 n LYS 75 Ca -0.18 0.54 -0.22 0.00 -2.02 0.00 0.00 58.31 56.44 1ug8 n LYS 75 Cb 0.53 -2.12 -0.10 0.00 -0.02 0.00 0.00 35.03 33.32 1ug8 n LYS 75 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ug8 s VAL 76 N -1.22 1.89 0.13 -0.18 1.01 -0.06 -4.64 120.40 117.33 1ug8 s VAL 76 Ca 0.62 -2.19 -0.10 0.00 0.00 0.00 0.00 61.98 60.31 1ug8 s VAL 76 Cb -0.56 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 1ug8 s VAL 76 CO 0.58 -0.33 0.26 -0.62 0.00 0.00 0.00 175.10 174.99 1ug8 s ASP 77 N -3.47 0.05 -0.02 3.32 -1.08 -1.26 -4.73 116.67 109.47 1ug8 s ASP 77 Ca 0.29 -0.74 -0.01 0.00 -0.52 0.00 0.00 52.55 51.58 1ug8 s ASP 77 Cb 0.02 0.40 -0.26 0.00 -1.46 0.00 0.00 42.92 41.62 1ug8 s ASP 77 CO 0.13 -0.83 0.75 -0.08 0.52 0.00 0.00 175.17 175.66 1ug8 h GLU 78 N 2.60 0.20 0.00 4.34 4.81 -1.99 -3.31 114.58 121.24 1ug8 h GLU 78 Ca -0.33 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.53 1ug8 h GLU 78 Cb 1.22 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1ug8 h GLU 78 CO 0.51 1.02 -0.15 1.05 -0.73 0.00 0.00 179.01 180.71 1ug8 h GLU 79 N 0.06 0.00 0.74 1.92 4.11 -2.00 -3.00 114.58 116.40 1ug8 h GLU 79 Ca -0.27 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.12 1ug8 h GLU 79 Cb 2.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 1ug8 h GLU 79 CO 0.13 0.15 -0.42 1.49 0.07 0.00 0.00 179.01 180.43 1ug8 h GLU 80 N 0.00 -1.04 -6.01 1.06 4.81 -1.99 -3.40 114.58 108.01 1ug8 h GLU 80 Ca -0.00 0.07 -0.66 0.00 -0.13 0.00 0.00 59.36 58.64 1ug8 h GLU 80 Cb 0.38 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1ug8 h GLU 80 CO 0.02 -0.70 1.39 -2.13 -0.73 0.00 0.00 179.01 176.87 1ug8 n ARG 81 N -5.57 1.29 -0.07 1.92 3.00 -1.14 -4.81 116.66 111.29 1ug8 n ARG 81 Ca -0.14 0.37 -0.11 0.00 -0.00 0.00 0.00 57.85 57.97 1ug8 n ARG 81 Cb 0.45 -2.58 0.03 0.00 0.00 0.00 0.00 32.46 30.36 1ug8 n ARG 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1ug8 h SER 82 N 12.44 0.82 -2.56 6.15 4.64 -1.87 -3.45 113.55 129.73 1ug8 h SER 82 Ca -0.31 -0.38 -0.46 0.00 -0.47 0.00 0.00 61.79 60.16 1ug8 h SER 82 Cb 1.31 -0.23 0.11 0.00 -0.31 0.00 0.00 62.40 63.27 1ug8 h SER 82 CO 1.00 1.13 0.20 -0.83 -0.87 0.00 0.00 176.83 177.46 1ug8 s GLY 83 N -3.95 1.77 0.64 -0.77 0.00 -1.26 -5.07 107.32 98.67 1ug8 s GLY 83 Ca -0.09 -1.66 -0.13 0.00 0.00 0.00 0.00 44.72 42.83 1ug8 s GLY 83 CO 0.86 -1.00 1.05 2.56 0.00 0.00 0.00 173.10 176.57 1ug8 s PRO 84 N -5.39 3.17 -0.11 2.90 0.04 -1.26 -5.02 135.00 129.33 1ug8 s PRO 84 Ca 0.70 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 1ug8 s PRO 84 Cb -0.04 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1ug8 s PRO 84 CO 0.47 -0.92 -0.06 1.03 0.04 0.00 0.00 177.00 177.57 1ug8 h SER 85 N -0.12 0.00 0.38 6.66 0.87 -1.98 -3.38 113.55 115.98 1ug8 h SER 85 Ca -0.45 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1ug8 h SER 85 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 1ug8 h SER 85 CO 0.57 0.57 -0.34 -1.28 -0.53 0.00 0.00 176.83 175.82 1ug8 h SER 86 N -0.98 -0.92 -0.02 6.23 0.87 -2.06 -3.56 113.55 113.12 1ug8 h SER 86 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1ug8 h SER 86 Cb 0.16 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1ug8 h SER 86 CO 0.00 -0.49 0.00 0.61 -0.53 0.00 0.00 176.83 176.42