#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 -7.57 0.07 1.61 7.64 -1.26 -4.94 113.62 109.17 1ug8 n SER 2 Ca 0.00 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1ug8 n SER 2 Cb 0.00 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 58.59 1ug8 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ug8 n SER 3 N 0.13 -1.26 0.28 6.43 7.64 -1.26 -4.89 113.62 120.69 1ug8 n SER 3 Ca 0.05 0.31 -0.12 0.00 1.01 0.00 0.00 58.87 60.12 1ug8 n SER 3 Cb 0.36 1.45 -0.05 0.00 -1.01 0.00 0.00 64.21 64.96 1ug8 n SER 3 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ug8 h GLY 4 N 0.00 -0.78 0.96 0.23 0.00 -1.97 -0.93 103.07 100.57 1ug8 h GLY 4 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1ug8 h GLY 4 CO 0.00 -0.29 -0.13 1.76 0.00 0.00 0.00 176.54 177.88 1ug8 h SER 5 N -1.14 -0.32 -0.28 0.19 0.02 -1.97 0.17 113.55 110.23 1ug8 h SER 5 Ca -0.08 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1ug8 h SER 5 Cb 0.58 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.13 1ug8 h SER 5 CO 0.13 -0.21 -0.39 0.28 -1.14 0.00 0.00 176.83 175.49 1ug8 h SER 6 N -0.34 -1.27 0.30 3.07 0.02 -1.91 0.73 113.55 114.16 1ug8 h SER 6 Ca -0.03 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1ug8 h SER 6 Cb 0.28 0.55 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1ug8 h SER 6 CO 0.03 -0.38 -0.02 1.23 -1.14 0.00 0.00 176.83 176.56 1ug8 h GLY 7 N -0.38 0.00 0.51 -3.77 0.00 -0.98 0.18 103.07 98.63 1ug8 h GLY 7 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1ug8 h GLY 7 CO -0.48 0.00 -0.39 -1.80 0.00 0.00 0.00 176.54 173.87 1ug8 h ASP 8 N 0.00 0.30 1.06 0.19 1.82 0.31 -3.18 116.42 116.92 1ug8 h ASP 8 Ca -0.00 -0.83 0.00 0.00 -0.39 0.00 0.00 57.03 55.81 1ug8 h ASP 8 Cb 0.18 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.09 1ug8 h ASP 8 CO 0.00 1.10 0.00 0.00 -1.61 0.00 0.00 179.24 178.73 1ug8 n GLN 9 N -4.39 0.15 -0.08 0.28 10.64 0.20 -3.02 117.38 121.16 1ug8 n GLN 9 Ca -0.11 0.22 -0.13 0.00 -1.83 0.00 0.00 57.00 55.15 1ug8 n GLN 9 Cb 0.59 -1.71 -0.05 0.00 -0.86 0.00 0.00 30.24 28.21 1ug8 n GLN 9 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1ug8 h LYS 10 N 0.00 0.63 -0.40 2.61 1.63 -0.66 0.18 116.57 120.57 1ug8 h LYS 10 Ca 0.00 -0.33 -0.15 0.00 -0.85 0.00 0.00 60.65 59.31 1ug8 h LYS 10 Cb 0.53 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1ug8 h LYS 10 CO 0.00 0.94 -0.36 0.87 -3.45 0.00 0.00 179.45 177.45 1ug8 h LYS 11 N 0.35 0.93 0.29 1.90 1.79 -1.52 -0.30 116.57 120.01 1ug8 h LYS 11 Ca 0.04 -0.47 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1ug8 h LYS 11 Cb 0.82 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1ug8 h LYS 11 CO 0.06 1.13 -0.14 0.35 -1.08 0.00 0.00 179.45 179.78 1ug8 h PHE 12 N 0.77 -0.36 -0.26 -1.35 3.04 -1.46 -0.59 116.94 116.73 1ug8 h PHE 12 Ca 0.07 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.04 1ug8 h PHE 12 Cb 0.95 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.55 1ug8 h PHE 12 CO 0.06 -0.08 0.09 0.97 -2.02 0.00 0.00 178.31 177.33 1ug8 h ILE 13 N -0.62 0.93 -0.27 1.41 6.09 -0.66 -1.90 117.51 122.49 1ug8 h ILE 13 Ca -0.04 -0.07 0.06 0.00 -1.37 0.00 0.00 64.86 63.45 1ug8 h ILE 13 Cb 0.44 0.71 -0.07 0.00 0.47 0.00 0.00 36.82 38.37 1ug8 h ILE 13 CO 0.07 0.04 -0.21 0.44 -3.07 0.00 0.00 178.15 175.41 1ug8 h ASP 14 N 0.20 -0.69 -1.00 2.19 3.32 -1.00 0.20 116.42 119.65 1ug8 h ASP 14 Ca 0.11 0.13 0.22 0.00 0.02 0.00 0.00 57.03 57.52 1ug8 h ASP 14 Cb 0.09 0.34 -0.10 0.00 0.22 0.00 0.00 39.33 39.87 1ug8 h ASP 14 CO -0.12 -0.25 0.62 1.56 -1.72 0.00 0.00 179.24 179.33 1ug8 h GLN 15 N -0.20 0.58 -0.00 3.56 4.20 -0.54 0.47 115.11 123.18 1ug8 h GLN 15 Ca 0.15 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ug8 h GLN 15 Cb 0.42 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1ug8 h GLN 15 CO -0.38 0.38 -0.00 0.28 -0.67 0.00 0.00 178.83 178.44 1ug8 h VAL 16 N 0.60 1.31 -0.96 -0.54 2.07 0.02 -3.18 116.25 115.57 1ug8 h VAL 16 Ca 0.58 -0.92 0.13 0.00 0.82 0.00 0.00 66.70 67.30 1ug8 h VAL 16 Cb 1.13 1.94 -0.14 0.00 -1.52 0.00 0.00 31.29 32.70 1ug8 h VAL 16 CO -0.35 0.24 -0.46 0.40 0.02 0.00 0.00 177.57 177.42 1ug8 h ILE 17 N -0.39 0.01 -0.86 4.57 1.08 0.15 0.57 117.51 122.63 1ug8 h ILE 17 Ca 0.00 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 1ug8 h ILE 17 Cb 0.39 0.01 -0.15 0.00 -3.07 0.00 0.00 36.82 34.00 1ug8 h ILE 17 CO 0.00 0.00 -0.32 -0.33 -0.69 0.00 0.00 178.15 176.81 1ug8 h GLU 18 N -0.02 -0.04 -0.66 2.37 4.39 -1.40 1.03 114.58 120.25 1ug8 h GLU 18 Ca 0.27 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.07 1ug8 h GLU 18 Cb 0.53 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 1ug8 h GLU 18 CO -0.95 -0.03 0.29 0.87 -1.16 0.00 0.00 179.01 178.04 1ug8 h LYS 19 N -0.04 0.49 0.69 2.33 1.57 0.06 -0.08 116.57 121.59 1ug8 h LYS 19 Ca 0.34 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1ug8 h LYS 19 Cb 0.60 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1ug8 h LYS 19 CO -0.89 0.33 -0.33 0.82 -0.57 0.00 0.00 179.45 178.81 1ug8 h ILE 20 N 0.51 0.31 -0.62 1.86 2.04 0.21 -0.41 117.51 121.41 1ug8 h ILE 20 Ca 0.33 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.25 1ug8 h ILE 20 Cb 0.38 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.68 1ug8 h ILE 20 CO -0.29 0.00 -0.47 -0.33 0.00 0.00 0.00 178.15 177.07 1ug8 h GLU 21 N -0.95 -0.21 -0.27 2.37 4.39 0.63 0.79 114.58 121.33 1ug8 h GLU 21 Ca -0.09 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.69 1ug8 h GLU 21 Cb 0.72 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.34 1ug8 h GLU 21 CO 0.16 -0.14 -0.21 0.22 -1.16 0.00 0.00 179.01 177.87 1ug8 h ASP 22 N -0.22 -0.69 -1.01 1.42 1.82 -0.93 0.55 116.42 117.37 1ug8 h ASP 22 Ca 0.17 0.14 0.11 0.00 -0.39 0.00 0.00 57.03 57.05 1ug8 h ASP 22 Cb 0.56 0.34 -0.08 0.00 0.68 0.00 0.00 39.33 40.82 1ug8 h ASP 22 CO -0.72 -0.25 0.64 0.15 -1.61 0.00 0.00 179.24 177.45 1ug8 h PHE 23 N -0.20 1.16 -0.44 0.28 3.57 0.92 0.35 116.94 122.58 1ug8 h PHE 23 Ca 0.15 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 1ug8 h PHE 23 Cb 0.42 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1ug8 h PHE 23 CO -0.39 0.48 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.90 1ug8 h LEU 24 N 1.03 0.89 0.78 0.59 3.38 0.26 -3.20 115.31 119.04 1ug8 h LEU 24 Ca 0.49 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1ug8 h LEU 24 Cb 0.44 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ug8 h LEU 24 CO -0.25 1.06 -0.45 1.56 0.09 0.00 0.00 178.44 180.45 1ug8 h GLN 25 N 0.76 -1.11 -6.49 1.13 1.08 0.20 -3.43 115.11 107.26 1ug8 h GLN 25 Ca 0.11 0.08 -0.59 0.00 -1.45 0.00 0.00 58.65 56.79 1ug8 h GLN 25 Cb 0.74 0.25 0.15 0.00 -0.05 0.00 0.00 27.48 28.57 1ug8 h GLN 25 CO 0.06 -0.74 -0.20 0.45 -0.95 0.00 0.00 178.83 177.45 1ug8 n SER 26 N -5.60 -0.19 -0.07 1.46 2.88 -0.35 -4.95 113.62 106.80 1ug8 n SER 26 Ca -0.15 0.90 -0.06 0.00 -1.33 0.00 0.00 58.87 58.24 1ug8 n SER 26 Cb 0.48 -1.21 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 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 0.22 0.47 -0.25 -1.46 1.02 -1.26 -4.42 120.64 114.96 1ug8 n GLU 27 Ca 0.11 0.46 0.04 0.00 -0.02 0.00 0.00 57.16 57.75 1ug8 n GLU 27 Cb 0.41 -1.64 0.13 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.00 0.07 -6.01 3.49 5.08 -1.95 -3.41 114.58 110.86 1ug8 h GLU 28 Ca -0.00 -0.00 -0.82 0.00 -1.00 0.00 0.00 59.36 57.53 1ug8 h GLU 28 Cb 0.62 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.88 1ug8 h GLU 28 CO -0.00 0.05 0.31 1.63 -1.00 0.00 0.00 179.01 180.00 1ug8 n LYS 29 N -5.37 0.04 -0.04 2.33 5.02 -1.26 -4.83 118.16 114.06 1ug8 n LYS 29 Ca 0.12 0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.38 1ug8 n LYS 29 Cb 0.43 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 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 2.49 1.81 -3.77 1.97 3.00 -1.26 -4.94 116.66 115.96 1ug8 n ARG 30 Ca 0.24 0.02 -0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1ug8 n ARG 30 Cb 0.03 -1.16 -0.12 0.00 0.00 0.00 0.00 32.46 31.21 1ug8 n ARG 30 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ug8 s SER 31 N -4.21 -0.24 0.13 6.15 0.01 -1.26 -0.50 113.70 113.78 1ug8 s SER 31 Ca -0.06 0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.70 1ug8 s SER 31 Cb 0.02 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1ug8 s SER 31 CO 0.23 -0.11 0.19 -0.22 0.41 0.00 0.00 173.24 173.74 1ug8 s LEU 32 N 0.52 4.08 -0.16 2.44 2.96 0.13 -4.91 118.68 123.73 1ug8 s LEU 32 Ca -0.03 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1ug8 s LEU 32 Cb -0.05 -2.68 0.03 0.00 0.50 0.00 0.00 46.19 43.99 1ug8 s LEU 32 CO -0.03 0.09 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.35 1ug8 s GLU 33 N -2.95 2.27 0.58 1.98 2.02 -1.26 0.77 118.70 122.10 1ug8 s GLU 33 Ca 0.33 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.73 1ug8 s GLU 33 Cb -0.11 -2.19 0.07 0.00 0.10 0.00 0.00 34.13 32.00 1ug8 s GLU 33 CO 0.26 -0.28 0.81 -0.51 0.02 0.00 0.00 175.26 175.56 1ug8 s LEU 34 N 1.46 3.21 0.50 1.80 1.43 0.69 -5.00 118.68 122.76 1ug8 s LEU 34 Ca 0.04 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 1ug8 s LEU 34 Cb -0.14 -2.23 -0.08 0.00 0.03 0.00 0.00 46.19 43.77 1ug8 s LEU 34 CO -0.10 -1.34 1.00 -1.81 0.23 0.00 0.00 176.35 174.33 1ug8 s ASP 35 N -4.57 6.50 -0.32 2.29 1.01 -1.26 -4.11 116.67 116.21 1ug8 s ASP 35 Ca 0.61 1.74 -0.29 0.00 0.71 0.00 0.00 52.55 55.31 1ug8 s ASP 35 Cb -0.08 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1ug8 s ASP 35 CO 0.39 -0.67 1.36 -2.16 0.21 0.00 0.00 175.17 174.31 1ug8 s PRO 36 N -3.60 3.81 0.84 8.23 0.04 -1.26 -4.08 135.00 138.97 1ug8 s PRO 36 Ca 0.63 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1ug8 s PRO 36 Cb -0.12 -3.94 0.10 0.00 0.04 0.00 0.00 34.50 30.58 1ug8 s PRO 36 CO 0.24 -1.26 1.10 0.00 0.04 0.00 0.00 177.00 177.12 1ug8 h THR 38 N -1.29 1.01 0.00 0.00 1.03 -1.96 -3.47 112.91 108.23 1ug8 h THR 38 Ca -0.48 -2.78 0.00 0.00 -0.01 0.00 0.00 66.41 63.14 1ug8 h THR 38 Cb 1.28 2.57 0.00 0.00 -1.07 0.00 0.00 68.15 70.93 1ug8 h THR 38 CO 0.58 0.69 0.00 0.61 -0.01 0.00 0.00 175.52 177.38 1ug8 n GLY 39 N 1.61 -1.78 0.34 2.99 0.00 -1.26 -5.00 105.19 102.08 1ug8 n GLY 39 Ca -0.16 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.13 -0.84 1.61 3.57 -2.00 -1.51 116.94 116.63 1ug8 h PHE 40 Ca 0.00 0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.73 1ug8 h PHE 40 Cb 0.00 0.50 -0.15 0.00 2.79 0.00 0.00 35.95 39.08 1ug8 h PHE 40 CO 0.00 -0.41 -0.08 1.96 -2.23 0.00 0.00 178.31 177.55 1ug8 h GLN 41 N -0.48 0.04 -0.56 1.11 4.20 -1.97 0.35 115.11 117.81 1ug8 h GLN 41 Ca 0.01 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.83 1ug8 h GLN 41 Cb 0.51 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.18 1ug8 h GLN 41 CO -0.26 0.03 -0.22 -0.09 -0.67 0.00 0.00 178.83 177.62 1ug8 h ARG 42 N 0.04 -0.08 -0.99 1.46 2.43 -1.64 0.45 114.38 116.05 1ug8 h ARG 42 Ca 0.45 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.67 1ug8 h ARG 42 Cb 0.78 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 1ug8 h ARG 42 CO -0.81 -0.05 0.65 0.87 -1.51 0.00 0.00 179.97 179.12 1ug8 h LYS 43 N -0.08 1.18 0.55 0.20 1.57 0.27 -2.30 116.57 117.97 1ug8 h LYS 43 Ca 0.26 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1ug8 h LYS 43 Cb 0.48 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1ug8 h LYS 43 CO -0.62 0.78 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.48 1ug8 h LEU 44 N 1.22 -1.35 -0.55 2.94 3.38 0.98 0.51 115.31 122.43 1ug8 h LEU 44 Ca 0.41 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.53 1ug8 h LEU 44 Cb 0.07 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1ug8 h LEU 44 CO -0.14 -0.68 -0.44 0.40 0.09 0.00 0.00 178.44 177.67 1ug8 h ILE 45 N -1.04 0.00 -0.81 1.22 2.04 -0.58 0.65 117.51 119.00 1ug8 h ILE 45 Ca -0.07 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.93 1ug8 h ILE 45 Cb 0.88 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 1ug8 h ILE 45 CO -0.03 0.00 0.39 1.88 0.00 0.00 0.00 178.15 180.39 1ug8 h TYR 46 N -0.15 0.67 0.15 1.37 0.05 -1.23 0.20 116.97 118.05 1ug8 h TYR 46 Ca 0.09 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.91 1ug8 h TYR 46 Cb 0.38 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1ug8 h TYR 46 CO -0.86 0.14 -0.18 1.96 -1.05 0.00 0.00 178.16 178.17 1ug8 h GLN 47 N 0.56 -0.36 0.74 4.88 4.20 0.40 0.24 115.11 125.77 1ug8 h GLN 47 Ca 0.44 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.14 1ug8 h GLN 47 Cb 0.63 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1ug8 h GLN 47 CO -0.37 -0.24 -0.39 1.15 -0.67 0.00 0.00 178.83 178.31 1ug8 h THR 48 N -0.38 0.00 -0.28 -0.54 2.02 0.11 -1.54 112.91 112.31 1ug8 h THR 48 Ca 0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.27 1ug8 h THR 48 Cb 0.37 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1ug8 h THR 48 CO -0.06 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.30 1ug8 h LEU 49 N -1.03 0.00 -0.86 2.58 3.38 -0.61 1.66 115.31 120.43 1ug8 h LEU 49 Ca -0.10 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1ug8 h LEU 49 Cb 0.80 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 1ug8 h LEU 49 CO 0.15 0.00 0.49 -1.28 0.09 0.00 0.00 178.44 177.89 1ug8 h SER 50 N 0.00 0.68 0.00 -0.43 0.87 0.57 0.46 113.55 115.70 1ug8 h SER 50 Ca 0.13 0.06 -0.18 0.00 -1.23 0.00 0.00 61.79 60.57 1ug8 h SER 50 Cb 1.21 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 1ug8 h SER 50 CO -0.00 0.37 -1.66 -2.67 -0.53 0.00 0.00 176.83 172.33 1ug8 n TRP 51 N -4.75 0.00 -0.33 2.24 4.27 0.12 -3.69 117.44 115.30 1ug8 n TRP 51 Ca 0.15 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.74 1ug8 n TRP 51 Cb 0.32 -0.47 0.14 0.00 -1.36 0.00 0.00 31.31 29.94 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 1.22 -1.45 -2.67 1.57 0.22 -3.37 116.57 112.10 1ug8 h LYS 52 Ca -0.26 -0.09 -0.31 0.00 -1.87 0.00 0.00 60.65 58.12 1ug8 h LYS 52 Cb 1.56 -0.27 -0.24 0.00 0.08 0.00 0.00 32.23 33.36 1ug8 h LYS 52 CO 0.00 0.83 -0.67 0.66 -0.57 0.00 0.00 179.45 179.70 1ug8 n TYR 53 N -4.38 -2.76 -0.04 -1.35 4.01 0.16 -4.96 117.16 107.85 1ug8 n TYR 53 Ca 0.10 -2.09 -0.14 0.00 -0.16 0.00 0.00 57.90 55.62 1ug8 n TYR 53 Cb 0.03 1.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.98 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 5.16 0.08 -4.69 -0.72 0.13 -1.60 -3.42 132.00 126.93 1ug8 h PRO 54 Ca 0.12 -0.07 -0.60 0.00 -0.87 0.00 0.00 66.00 64.58 1ug8 h PRO 54 Cb 1.03 0.02 -0.36 0.00 0.13 0.00 0.00 31.00 31.83 1ug8 h PRO 54 CO 0.16 0.81 -0.83 -1.59 -0.23 0.00 0.00 178.00 176.31 1ug8 s LYS 55 N -3.23 2.30 0.00 0.86 -2.85 -1.26 -4.73 119.74 110.83 1ug8 s LYS 55 Ca -0.17 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1ug8 s LYS 55 Cb 0.00 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.70 1ug8 s LYS 55 CO 0.71 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 176.37 1ug8 n GLY 56 N 4.65 3.09 3.37 0.59 0.00 -1.26 -4.97 105.19 110.66 1ug8 n GLY 56 Ca -0.17 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 1.28 -0.20 -0.61 -5.25 -1.26 0.20 121.20 115.35 1ug8 s ILE 57 Ca 0.00 -2.07 -0.00 0.00 -0.99 0.00 0.00 60.65 57.59 1ug8 s ILE 57 Cb 0.00 -2.39 0.05 0.00 2.95 0.00 0.00 42.46 43.07 1ug8 s ILE 57 CO 0.00 -0.31 -0.04 -2.28 -1.79 0.00 0.00 174.94 170.52 1ug8 s HIS 58 N -3.26 1.90 -0.05 1.37 2.46 -0.45 -4.76 115.29 112.50 1ug8 s HIS 58 Ca 0.29 -1.36 -0.21 0.00 0.47 0.00 0.00 55.06 54.25 1ug8 s HIS 58 Cb 0.05 -1.38 -0.05 0.00 -0.13 0.00 0.00 32.58 31.07 1ug8 s HIS 58 CO 0.10 -0.69 0.60 0.08 -2.47 0.00 0.00 174.74 172.36 1ug8 s VAL 59 N 1.56 5.02 0.01 0.89 1.01 -1.26 -0.59 120.40 127.04 1ug8 s VAL 59 Ca -0.03 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 1ug8 s VAL 59 Cb -0.17 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1ug8 s VAL 59 CO -0.07 0.34 0.07 -1.83 0.00 0.00 0.00 175.10 173.61 1ug8 s GLU 60 N 0.33 0.40 -0.42 2.72 -1.05 0.21 -4.98 118.70 115.90 1ug8 s GLU 60 Ca 0.32 -0.45 -0.10 0.00 -0.15 0.00 0.00 54.97 54.59 1ug8 s GLU 60 Cb -0.17 0.16 0.08 0.00 -0.44 0.00 0.00 34.13 33.75 1ug8 s GLU 60 CO 0.16 -0.08 0.27 0.99 0.95 0.00 0.00 175.26 177.54 1ug8 s THR 61 N -1.33 4.32 -0.07 1.83 2.01 -1.26 0.61 115.64 121.73 1ug8 s THR 61 Ca -0.14 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 60.45 1ug8 s THR 61 Cb -0.08 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1ug8 s THR 61 CO 0.00 -0.51 0.12 -0.76 -0.69 0.00 0.00 174.62 172.78 1ug8 s LEU 62 N 1.44 4.18 -0.07 4.42 1.43 -0.72 -4.87 118.68 124.50 1ug8 s LEU 62 Ca 0.03 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1ug8 s LEU 62 Cb -0.23 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1ug8 s LEU 62 CO 0.02 0.35 -0.19 -0.70 0.23 0.00 0.00 176.35 176.06 1ug8 s GLU 63 N -1.31 2.27 0.00 1.70 2.12 -1.26 0.50 118.70 122.72 1ug8 s GLU 63 Ca 0.19 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1ug8 s GLU 63 Cb -0.12 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1ug8 s GLU 63 CO 0.08 0.20 0.00 0.25 -0.54 0.00 0.00 175.26 175.25 1ug8 n THR 64 N 3.37 0.00 -0.06 -1.70 -2.24 -1.15 -4.84 114.28 107.66 1ug8 n THR 64 Ca -0.19 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 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 -0.67 -0.57 0.00 0.00 175.07 173.83 1ug8 n ASP 65 N 0.00 1.44 -0.06 3.42 2.03 -1.26 -3.75 116.55 118.37 1ug8 n ASP 65 Ca 0.00 0.56 -0.17 0.00 0.52 0.00 0.00 54.79 55.71 1ug8 n ASP 65 Cb 0.00 -0.80 -0.14 0.00 -0.72 0.00 0.00 41.12 39.47 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 -4.14 0.70 0.22 -0.67 2.85 -1.26 -4.08 118.16 111.78 1ug8 n LYS 66 Ca -0.06 0.19 0.08 0.00 -1.05 0.00 0.00 58.31 57.48 1ug8 n LYS 66 Cb 0.21 -1.64 0.51 0.00 -0.65 0.00 0.00 35.03 33.46 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 0.03 0.00 0.00 -1.58 3.64 -1.98 -3.48 116.57 113.20 1ug8 h LYS 67 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1ug8 h LYS 67 Cb 2.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 1ug8 h LYS 67 CO 0.02 0.25 0.00 -1.91 -2.27 0.00 0.00 179.45 175.55 1ug8 n GLU 68 N -3.77 0.00 -1.72 1.90 2.13 -1.25 -4.09 120.64 113.85 1ug8 n GLU 68 Ca -0.01 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.40 1ug8 n GLU 68 Cb 0.35 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.04 1ug8 n GLU 68 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1ug8 s ARG 69 N 0.00 2.79 0.03 5.31 3.52 -1.25 -2.93 118.95 126.42 1ug8 s ARG 69 Ca 0.00 1.55 0.04 0.00 -0.13 0.00 0.00 55.73 57.20 1ug8 s ARG 69 Cb 0.00 -4.41 -0.02 0.00 -1.56 0.00 0.00 34.95 28.96 1ug8 s ARG 69 CO 0.00 -2.50 -0.12 -3.38 -0.81 0.00 0.00 175.30 168.49 1ug8 s HIS 70 N 9.35 1.08 0.28 5.12 -3.43 0.18 -4.47 115.29 123.40 1ug8 s HIS 70 Ca 0.92 -0.33 -0.29 0.00 -0.80 0.00 0.00 55.06 54.55 1ug8 s HIS 70 Cb -0.24 -0.65 -0.10 0.00 -1.43 0.00 0.00 32.58 30.17 1ug8 s HIS 70 CO 0.30 0.01 1.25 0.42 -2.00 0.00 0.00 174.74 174.72 1ug8 s ILE 71 N -0.80 3.09 -0.02 -5.38 1.01 -1.26 -1.76 121.20 116.09 1ug8 s ILE 71 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 60.65 61.69 1ug8 s ILE 71 Cb -0.07 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1ug8 s ILE 71 CO 0.01 0.22 -0.01 -0.69 0.00 0.00 0.00 174.94 174.47 1ug8 s VAL 72 N -0.77 0.15 0.18 2.92 1.01 0.20 -0.22 120.40 123.86 1ug8 s VAL 72 Ca 0.50 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1ug8 s VAL 72 Cb -0.36 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1ug8 s VAL 72 CO 0.45 0.10 0.07 -0.63 0.00 0.00 0.00 175.10 175.09 1ug8 s ILE 73 N 0.54 4.08 0.12 2.22 1.09 0.23 0.67 121.20 130.15 1ug8 s ILE 73 Ca -0.05 -1.29 0.01 0.00 -1.10 0.00 0.00 60.65 58.22 1ug8 s ILE 73 Cb -0.08 -3.08 -0.04 0.00 -1.06 0.00 0.00 42.46 38.20 1ug8 s ILE 73 CO -0.01 -0.13 -0.02 -0.55 -0.10 0.00 0.00 174.94 174.13 1ug8 s SER 74 N -3.08 0.94 -0.20 3.58 0.15 0.24 0.18 113.70 115.51 1ug8 s SER 74 Ca 0.29 -1.10 -0.25 0.00 0.70 0.00 0.00 55.95 55.60 1ug8 s SER 74 Cb -0.09 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.36 1ug8 s SER 74 CO 0.21 -0.56 0.83 -0.54 1.20 0.00 0.00 173.24 174.38 1ug8 s LYS 75 N -3.91 4.25 0.29 5.44 3.01 0.34 -1.34 119.74 127.83 1ug8 s LYS 75 Ca 0.17 0.99 0.09 0.00 -1.01 0.00 0.00 55.97 56.21 1ug8 s LYS 75 Cb 0.06 -3.61 -0.06 0.00 -1.01 0.00 0.00 37.83 33.22 1ug8 s LYS 75 CO -0.01 -0.41 -0.11 0.08 0.51 0.00 0.00 175.35 175.40 1ug8 s VAL 76 N 2.46 2.02 0.12 3.17 1.01 0.13 -4.84 120.40 124.47 1ug8 s VAL 76 Ca 0.37 -2.22 0.04 0.00 0.00 0.00 0.00 61.98 60.16 1ug8 s VAL 76 Cb -0.16 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1ug8 s VAL 76 CO 0.10 -0.33 -0.09 -0.62 0.00 0.00 0.00 175.10 174.16 1ug8 s ASP 77 N -3.50 1.53 -0.06 3.32 2.15 -1.26 -4.46 116.67 114.39 1ug8 s ASP 77 Ca 0.30 -0.95 -0.20 0.00 0.43 0.00 0.00 52.55 52.13 1ug8 s ASP 77 Cb 0.01 0.02 -0.15 0.00 -0.30 0.00 0.00 42.92 42.50 1ug8 s ASP 77 CO 0.13 -0.34 0.80 -0.08 -0.17 0.00 0.00 175.17 175.51 1ug8 h GLU 78 N 3.07 -0.20 -0.20 4.34 4.81 -1.93 -3.11 114.58 121.36 1ug8 h GLU 78 Ca -0.36 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1ug8 h GLU 78 Cb 1.18 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 1ug8 h GLU 78 CO 0.60 0.22 -0.54 1.49 -0.73 0.00 0.00 179.01 180.06 1ug8 h GLU 79 N -0.89 -0.51 -0.91 1.92 4.81 -1.99 -2.09 114.58 114.92 1ug8 h GLU 79 Ca -0.02 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1ug8 h GLU 79 Cb 0.51 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.90 1ug8 h GLU 79 CO 0.04 -0.34 -0.56 1.49 -0.73 0.00 0.00 179.01 178.90 1ug8 h GLU 80 N -0.53 -0.03 -6.39 1.92 4.81 -2.00 -3.39 114.58 108.97 1ug8 h GLU 80 Ca 0.04 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.64 1ug8 h GLU 80 Cb 0.65 0.01 0.05 0.00 0.63 0.00 0.00 28.75 30.09 1ug8 h GLU 80 CO -0.47 -0.02 0.66 -2.13 -0.73 0.00 0.00 179.01 176.33 1ug8 n ARG 81 N -5.16 1.70 -0.01 1.92 0.63 -0.79 -4.88 116.66 110.08 1ug8 n ARG 81 Ca 0.01 0.62 -0.12 0.00 -0.92 0.00 0.00 57.85 57.44 1ug8 n ARG 81 Cb 0.26 -2.33 -0.07 0.00 0.45 0.00 0.00 32.46 30.76 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 5.47 0.11 0.00 6.15 0.87 -1.82 -3.48 113.55 120.86 1ug8 h SER 82 Ca -0.46 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1ug8 h SER 82 Cb 1.29 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1ug8 h SER 82 CO 0.84 0.31 0.00 0.61 -0.53 0.00 0.00 176.83 178.06 1ug8 n GLY 83 N -0.48 0.32 3.75 5.77 0.00 -1.26 -5.10 105.19 108.19 1ug8 n GLY 83 Ca -0.06 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 4.65 -0.01 1.61 0.04 -1.26 -4.98 135.00 133.04 1ug8 s PRO 84 Ca 0.00 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 1ug8 s PRO 84 Cb 0.00 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.22 1ug8 s PRO 84 CO 0.00 0.21 0.83 0.77 0.04 0.00 0.00 177.00 178.85 1ug8 h SER 85 N 4.09 -0.59 -0.81 6.66 0.02 -2.05 -3.30 113.55 117.57 1ug8 h SER 85 Ca -0.46 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.58 1ug8 h SER 85 Cb 1.21 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.81 1ug8 h SER 85 CO 0.68 -0.21 -0.48 -0.24 -1.14 0.00 0.00 176.83 175.45 1ug8 n SER 86 N -5.10 -0.85 0.00 3.07 2.88 -1.26 -5.27 113.62 107.09 1ug8 n SER 86 Ca -0.09 1.61 0.00 0.00 -1.33 0.00 0.00 58.87 59.06 1ug8 n SER 86 Cb 0.28 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ug8 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42