#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 -1.96 -3.60 1.61 2.88 -1.26 -5.10 113.62 106.20 1ug8 n SER 2 Ca 0.00 0.98 -0.06 0.00 -1.33 0.00 0.00 58.87 58.46 1ug8 n SER 2 Cb 0.00 -3.91 -0.04 0.00 -0.75 0.00 0.00 64.21 59.51 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 -0.44 -0.22 0.12 -3.46 0.01 -1.26 -5.05 113.70 103.40 1ug8 s SER 3 Ca -0.17 0.21 -0.25 0.00 1.31 0.00 0.00 55.95 57.05 1ug8 s SER 3 Cb 0.01 0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.36 1ug8 s SER 3 CO 0.45 -0.22 1.66 1.23 0.41 0.00 0.00 173.24 176.76 1ug8 h GLY 4 N 2.28 -0.30 -0.53 3.44 0.00 -2.00 -2.75 103.07 103.21 1ug8 h GLY 4 Ca -0.13 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.49 1ug8 h GLY 4 CO 0.27 -0.18 -0.47 1.76 0.00 0.00 0.00 176.54 177.91 1ug8 h SER 5 N -0.34 -1.65 -0.97 0.19 0.02 -2.01 0.02 113.55 108.81 1ug8 h SER 5 Ca 0.05 0.23 0.12 0.00 -0.84 0.00 0.00 61.79 61.35 1ug8 h SER 5 Cb 0.40 0.70 -0.14 0.00 0.14 0.00 0.00 62.40 63.49 1ug8 h SER 5 CO -0.16 -0.28 -0.47 0.28 -1.14 0.00 0.00 176.83 175.05 1ug8 h SER 6 N -0.20 -1.74 -1.10 3.07 0.02 -1.92 1.27 113.55 112.95 1ug8 h SER 6 Ca 0.09 0.32 0.37 0.00 -0.84 0.00 0.00 61.79 61.73 1ug8 h SER 6 Cb 0.43 0.84 -0.14 0.00 0.14 0.00 0.00 62.40 63.66 1ug8 h SER 6 CO -0.61 -0.27 0.66 1.23 -1.14 0.00 0.00 176.83 176.70 1ug8 h GLY 7 N -0.01 1.81 0.23 -3.77 0.00 -0.72 1.44 103.07 102.06 1ug8 h GLY 7 Ca 0.26 -0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.54 1ug8 h GLY 7 CO -0.95 -0.50 0.32 -0.55 0.00 0.00 0.00 176.54 174.86 1ug8 h ASP 8 N 0.19 0.34 0.64 0.19 5.19 0.21 0.37 116.42 123.56 1ug8 h ASP 8 Ca 0.77 0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 57.10 1ug8 h ASP 8 Cb 2.05 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 41.59 1ug8 h ASP 8 CO -0.56 0.15 -1.49 0.00 -3.12 0.00 0.00 179.24 174.23 1ug8 n GLN 9 N -4.96 0.62 -0.06 3.56 1.13 0.36 -3.26 117.38 114.78 1ug8 n GLN 9 Ca 0.14 0.21 0.01 0.00 -1.94 0.00 0.00 57.00 55.41 1ug8 n GLN 9 Cb 0.38 -1.79 0.30 0.00 0.11 0.00 0.00 30.24 29.25 1ug8 n GLN 9 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1ug8 h LYS 10 N 0.00 0.66 0.13 -1.09 3.64 0.27 0.64 116.57 120.82 1ug8 h LYS 10 Ca -0.18 -0.09 -0.29 0.00 -1.27 0.00 0.00 60.65 58.81 1ug8 h LYS 10 Cb 1.63 -0.12 0.03 0.00 -0.41 0.00 0.00 32.23 33.36 1ug8 h LYS 10 CO 0.05 0.55 -1.21 0.87 -2.27 0.00 0.00 179.45 177.44 1ug8 h LYS 11 N 0.65 0.60 -0.69 1.90 1.57 -0.43 -1.29 116.57 118.88 1ug8 h LYS 11 Ca 0.16 -0.81 -0.08 0.00 -1.87 0.00 0.00 60.65 58.05 1ug8 h LYS 11 Cb 0.14 0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1ug8 h LYS 11 CO -0.01 1.37 0.12 0.35 -0.57 0.00 0.00 179.45 180.71 1ug8 h PHE 12 N 0.21 1.20 -0.04 -1.35 3.04 -1.40 0.43 116.94 119.03 1ug8 h PHE 12 Ca -0.19 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 61.58 1ug8 h PHE 12 Cb 1.90 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 40.08 1ug8 h PHE 12 CO 0.12 0.99 -0.07 0.97 -2.02 0.00 0.00 178.31 178.31 1ug8 h ILE 13 N 1.06 1.42 -0.72 1.41 6.09 0.21 -2.07 117.51 124.92 1ug8 h ILE 13 Ca 0.21 -1.34 0.10 0.00 -1.37 0.00 0.00 64.86 62.45 1ug8 h ILE 13 Cb 0.43 2.23 -0.07 0.00 0.47 0.00 0.00 36.82 39.88 1ug8 h ILE 13 CO 0.01 0.36 0.36 -0.78 -3.07 0.00 0.00 178.15 175.03 1ug8 h ASP 14 N -0.39 0.46 -0.64 2.19 3.58 -1.14 0.39 116.42 120.88 1ug8 h ASP 14 Ca 0.00 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1ug8 h ASP 14 Cb 0.62 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 1ug8 h ASP 14 CO 0.01 0.26 0.35 0.06 -2.88 0.00 0.00 179.24 177.04 1ug8 h GLN 15 N 0.60 0.91 0.05 0.28 3.07 -0.87 -1.57 115.11 117.59 1ug8 h GLN 15 Ca 0.35 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 58.99 1ug8 h GLN 15 Cb 0.38 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.76 1ug8 h GLN 15 CO -0.27 0.68 -0.03 0.28 0.09 0.00 0.00 178.83 179.58 1ug8 h VAL 16 N 0.92 1.22 -0.61 1.86 2.07 -0.12 -3.13 116.25 118.47 1ug8 h VAL 16 Ca 0.23 -0.95 0.12 0.00 0.82 0.00 0.00 66.70 66.92 1ug8 h VAL 16 Cb 0.05 1.84 -0.12 0.00 -1.52 0.00 0.00 31.29 31.54 1ug8 h VAL 16 CO -0.04 0.24 -0.16 0.40 0.02 0.00 0.00 177.57 178.03 1ug8 h ILE 17 N -0.50 0.38 -0.82 4.57 2.04 -0.03 0.24 117.51 123.40 1ug8 h ILE 17 Ca -0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.05 1ug8 h ILE 17 Cb 0.44 0.38 -0.14 0.00 -0.74 0.00 0.00 36.82 36.77 1ug8 h ILE 17 CO 0.01 0.00 0.04 -0.33 0.00 0.00 0.00 178.15 177.87 1ug8 h GLU 18 N -0.00 0.10 -0.37 2.37 4.39 -1.25 1.59 114.58 121.42 1ug8 h GLU 18 Ca 0.29 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 1ug8 h GLU 18 Cb 0.45 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1ug8 h GLU 18 CO -0.63 0.07 0.12 0.87 -1.16 0.00 0.00 179.01 178.28 1ug8 h LYS 19 N 0.10 0.52 0.43 2.33 1.57 -0.50 -2.22 116.57 118.80 1ug8 h LYS 19 Ca 0.46 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 1ug8 h LYS 19 Cb 0.86 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1ug8 h LYS 19 CO -0.71 0.46 -0.20 0.82 -0.57 0.00 0.00 179.45 179.24 1ug8 h ILE 20 N 0.52 0.00 -0.91 1.86 2.04 0.28 -2.37 117.51 118.94 1ug8 h ILE 20 Ca 0.13 -0.53 0.17 0.00 1.00 0.00 0.00 64.86 65.62 1ug8 h ILE 20 Cb 0.15 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.07 1ug8 h ILE 20 CO -0.01 0.00 -0.27 -0.62 0.00 0.00 0.00 178.15 177.25 1ug8 n GLU 21 N -5.01 -0.13 0.01 2.37 -0.58 0.25 0.14 120.64 117.70 1ug8 n GLU 21 Ca -0.07 1.41 -0.10 0.00 -0.42 0.00 0.00 57.16 57.97 1ug8 n GLU 21 Cb 0.23 -2.10 -0.05 0.00 -0.57 0.00 0.00 31.44 28.95 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 -0.13 -0.28 1.62 1.82 -1.46 0.40 116.42 118.39 1ug8 h ASP 22 Ca 0.39 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 57.12 1ug8 h ASP 22 Cb 0.62 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 1ug8 h ASP 22 CO -0.92 -0.06 0.19 0.15 -1.61 0.00 0.00 179.24 176.99 1ug8 h PHE 23 N -0.04 0.12 0.05 0.28 3.57 0.18 0.15 116.94 121.24 1ug8 h PHE 23 Ca 0.04 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.31 1ug8 h PHE 23 Cb 0.10 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1ug8 h PHE 23 CO -0.15 0.07 -1.05 -0.07 -2.23 0.00 0.00 178.31 174.88 1ug8 h LEU 24 N 0.12 0.47 0.24 0.59 3.38 0.16 -3.29 115.31 116.98 1ug8 h LEU 24 Ca 0.13 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1ug8 h LEU 24 Cb 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ug8 h LEU 24 CO -0.02 1.25 -0.11 1.56 0.09 0.00 0.00 178.44 181.21 1ug8 h GLN 25 N 0.16 -0.31 -6.93 1.13 1.08 0.17 -3.43 115.11 106.98 1ug8 h GLN 25 Ca -0.10 0.02 -0.56 0.00 -1.45 0.00 0.00 58.65 56.56 1ug8 h GLN 25 Cb 1.71 0.07 0.15 0.00 -0.05 0.00 0.00 27.48 29.37 1ug8 h GLN 25 CO 0.18 -0.20 0.36 0.45 -0.95 0.00 0.00 178.83 178.66 1ug8 n SER 26 N -5.22 1.68 -0.05 1.46 2.88 -0.61 -4.97 113.62 108.79 1ug8 n SER 26 Ca -0.09 0.89 -0.04 0.00 -1.33 0.00 0.00 58.87 58.30 1ug8 n SER 26 Cb 0.15 -1.48 -0.01 0.00 -0.75 0.00 0.00 64.21 62.12 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 -1.08 0.30 -0.32 -1.46 1.02 -1.26 -4.40 120.64 113.44 1ug8 n GLU 27 Ca 0.13 0.36 0.14 0.00 -0.02 0.00 0.00 57.16 57.77 1ug8 n GLU 27 Cb 0.46 -1.30 0.29 0.00 -0.02 0.00 0.00 31.44 30.87 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ug8 h GLU 28 N -0.64 0.08 -6.07 3.49 4.11 -1.96 -3.40 114.58 110.18 1ug8 h GLU 28 Ca 0.00 -0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.71 1ug8 h GLU 28 Cb 0.40 -0.02 0.08 0.00 0.50 0.00 0.00 28.75 29.71 1ug8 h GLU 28 CO 0.00 0.05 -0.12 1.63 0.07 0.00 0.00 179.01 180.64 1ug8 n LYS 29 N -5.38 0.24 -0.01 1.06 5.02 -1.26 -4.87 118.16 112.96 1ug8 n LYS 29 Ca 0.22 0.09 -0.02 0.00 -2.02 0.00 0.00 58.31 56.58 1ug8 n LYS 29 Cb 0.73 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.33 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 1.35 0.91 -3.87 1.97 5.12 -1.26 -4.94 116.66 115.94 1ug8 n ARG 30 Ca 0.18 0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 1ug8 n ARG 30 Cb 0.18 -1.05 -0.09 0.00 -1.16 0.00 0.00 32.46 30.34 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 -4.03 0.07 0.21 0.55 1.04 -1.26 -0.05 113.70 110.23 1ug8 s SER 31 Ca -0.03 -0.42 0.11 0.00 0.48 0.00 0.00 55.95 56.09 1ug8 s SER 31 Cb 0.01 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1ug8 s SER 31 CO 0.07 -0.55 -0.20 -0.22 0.98 0.00 0.00 173.24 173.32 1ug8 s LEU 32 N -2.14 2.59 -0.13 2.42 2.96 0.20 -4.94 118.68 119.65 1ug8 s LEU 32 Ca -0.04 -0.83 0.02 0.00 -0.22 0.00 0.00 54.13 53.06 1ug8 s LEU 32 Cb -0.01 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.42 1ug8 s LEU 32 CO -0.04 0.10 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.31 1ug8 s GLU 33 N -2.86 2.45 0.37 1.98 2.02 -1.26 -0.08 118.70 121.32 1ug8 s GLU 33 Ca 0.23 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.66 1ug8 s GLU 33 Cb -0.08 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 1ug8 s GLU 33 CO 0.12 -0.10 0.43 -0.51 0.02 0.00 0.00 175.26 175.22 1ug8 s LEU 34 N 1.07 3.69 0.59 1.80 1.43 -0.23 -5.02 118.68 122.01 1ug8 s LEU 34 Ca -0.04 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.45 1ug8 s LEU 34 Cb -0.14 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1ug8 s LEU 34 CO -0.04 -0.53 1.17 1.51 0.23 0.00 0.00 176.35 178.69 1ug8 s ASP 35 N -4.16 5.31 -0.65 2.29 -4.77 -1.26 -4.31 116.67 109.12 1ug8 s ASP 35 Ca 0.47 2.28 -0.27 0.00 -3.30 0.00 0.00 52.55 51.72 1ug8 s ASP 35 Cb -0.07 -2.59 0.01 0.00 -1.09 0.00 0.00 42.92 39.17 1ug8 s ASP 35 CO 0.30 -1.51 1.54 -2.16 0.70 0.00 0.00 175.17 174.04 1ug8 s PRO 36 N -3.42 3.00 1.20 2.11 0.04 -1.26 -4.23 135.00 132.43 1ug8 s PRO 36 Ca 0.75 0.26 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 1ug8 s PRO 36 Cb -0.27 -4.25 0.29 0.00 0.04 0.00 0.00 34.50 30.31 1ug8 s PRO 36 CO 0.32 -2.33 1.14 0.00 0.04 0.00 0.00 177.00 176.17 1ug8 n THR 38 N -4.73 1.48 0.00 0.00 -2.24 -1.26 -4.98 114.28 102.56 1ug8 n THR 38 Ca 0.14 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1ug8 n THR 38 Cb 0.60 -2.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 1ug8 n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ug8 n GLY 39 N 1.49 -0.24 0.24 3.38 0.00 -1.26 -4.97 105.19 103.84 1ug8 n GLY 39 Ca -0.21 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.50 1.61 3.57 -2.00 -2.26 116.94 116.82 1ug8 h PHE 40 Ca 0.00 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.63 1ug8 h PHE 40 Cb 0.00 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1ug8 h PHE 40 CO 0.00 -0.34 0.52 1.96 -2.23 0.00 0.00 178.31 178.22 1ug8 h GLN 41 N -0.75 0.00 -0.11 1.11 4.20 -1.98 0.18 115.11 117.76 1ug8 h GLN 41 Ca -0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1ug8 h GLN 41 Cb 0.45 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1ug8 h GLN 41 CO 0.10 0.00 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.14 1ug8 h ARG 42 N 0.00 0.21 0.00 1.46 2.43 -1.89 -2.30 114.38 114.29 1ug8 h ARG 42 Ca 0.24 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1ug8 h ARG 42 Cb 1.27 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1ug8 h ARG 42 CO -0.00 0.52 -0.12 1.57 -1.51 0.00 0.00 179.97 180.42 1ug8 h LYS 43 N -0.10 0.00 0.24 0.20 2.10 -0.07 -2.21 116.57 116.73 1ug8 h LYS 43 Ca 0.03 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.67 1ug8 h LYS 43 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1ug8 h LYS 43 CO 0.01 0.12 -0.12 -0.07 -2.00 0.00 0.00 179.45 177.40 1ug8 h LEU 44 N 0.00 -0.28 -0.24 7.07 3.38 -1.04 0.74 115.31 124.95 1ug8 h LEU 44 Ca -0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1ug8 h LEU 44 Cb 0.23 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1ug8 h LEU 44 CO 0.02 -0.07 -0.15 0.40 0.09 0.00 0.00 178.44 178.73 1ug8 h ILE 45 N -0.48 0.57 -0.32 1.22 2.04 -0.91 0.62 117.51 120.25 1ug8 h ILE 45 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1ug8 h ILE 45 Cb 0.36 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1ug8 h ILE 45 CO 0.05 0.00 0.01 1.88 0.00 0.00 0.00 178.15 180.10 1ug8 h TYR 46 N -0.13 0.51 -0.37 1.37 0.05 -1.28 -0.20 116.97 116.91 1ug8 h TYR 46 Ca 0.13 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.77 1ug8 h TYR 46 Cb 0.33 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1ug8 h TYR 46 CO -0.31 0.49 -0.14 0.37 -1.05 0.00 0.00 178.16 177.52 1ug8 h GLN 47 N 0.48 0.76 0.00 4.88 4.15 0.23 -1.40 115.11 124.20 1ug8 h GLN 47 Ca 0.11 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1ug8 h GLN 47 Cb 0.29 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1ug8 h GLN 47 CO 0.01 0.92 0.00 2.41 -1.93 0.00 0.00 178.83 180.24 1ug8 n THR 48 N -4.32 0.00 -0.53 2.39 -1.04 0.20 -3.17 114.28 107.81 1ug8 n THR 48 Ca -0.02 1.03 0.44 0.00 -2.04 0.00 0.00 64.05 63.46 1ug8 n THR 48 Cb 0.38 -1.99 0.75 0.00 -1.82 0.00 0.00 70.33 67.65 1ug8 n THR 48 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ug8 h LEU 49 N 0.00 0.08 -0.94 -4.42 3.38 -1.18 1.99 115.31 114.23 1ug8 h LEU 49 Ca 0.00 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.24 1ug8 h LEU 49 Cb 0.00 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.66 1ug8 h LEU 49 CO 0.00 -0.04 0.49 -1.28 0.09 0.00 0.00 178.44 177.69 1ug8 h SER 50 N 0.04 0.50 0.00 -0.43 0.87 -1.20 1.39 113.55 114.71 1ug8 h SER 50 Ca 0.80 0.14 -0.17 0.00 -1.23 0.00 0.00 61.79 61.33 1ug8 h SER 50 Cb 3.02 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 65.03 1ug8 h SER 50 CO -0.12 0.06 -1.66 -2.67 -0.53 0.00 0.00 176.83 171.91 1ug8 n TRP 51 N -4.96 0.00 -0.24 2.24 4.27 0.38 -3.68 117.44 115.45 1ug8 n TRP 51 Ca 0.24 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.79 1ug8 n TRP 51 Cb 0.68 -0.47 0.04 0.00 -1.36 0.00 0.00 31.31 30.21 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 0.90 -1.45 -2.67 1.57 0.29 -3.38 116.57 111.83 1ug8 h LYS 52 Ca -0.26 -0.09 -0.29 0.00 -1.87 0.00 0.00 60.65 58.14 1ug8 h LYS 52 Cb 1.54 -0.18 -0.23 0.00 0.08 0.00 0.00 32.23 33.43 1ug8 h LYS 52 CO -0.00 0.66 -0.65 0.71 -0.57 0.00 0.00 179.45 179.60 1ug8 s TYR 53 N -5.93 -0.74 -0.07 -1.35 2.02 0.47 -4.94 117.35 106.82 1ug8 s TYR 53 Ca -0.13 -1.12 -0.14 0.00 -0.37 0.00 0.00 57.07 55.31 1ug8 s TYR 53 Cb 0.14 -0.09 -0.10 0.00 -0.40 0.00 0.00 41.96 41.51 1ug8 s TYR 53 CO 0.78 -1.13 0.55 -1.00 -1.57 0.00 0.00 175.55 173.18 1ug8 h PRO 54 N 5.28 -0.25 -4.41 -1.71 0.13 -1.51 -3.41 132.00 126.11 1ug8 h PRO 54 Ca 0.13 0.02 -0.72 0.00 -0.87 0.00 0.00 66.00 64.56 1ug8 h PRO 54 Cb 1.05 0.06 -0.29 0.00 0.13 0.00 0.00 31.00 31.94 1ug8 h PRO 54 CO 0.13 0.02 -0.45 -1.59 -0.23 0.00 0.00 178.00 175.88 1ug8 s LYS 55 N -2.80 2.52 0.00 0.86 -2.85 -1.26 -4.57 119.74 111.64 1ug8 s LYS 55 Ca -0.08 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.31 1ug8 s LYS 55 Cb 0.00 -3.81 0.00 0.00 -2.06 0.00 0.00 37.83 31.96 1ug8 s LYS 55 CO 0.28 -1.04 0.00 0.41 0.10 0.00 0.00 175.35 175.11 1ug8 n GLY 56 N 4.89 -0.06 2.53 0.59 0.00 -1.26 -4.96 105.19 106.92 1ug8 n GLY 56 Ca -0.09 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.04 119.36 113.74 1ug8 n ILE 57 Ca 0.00 -1.76 -0.20 0.00 -0.00 0.00 0.00 62.75 60.79 1ug8 n ILE 57 Cb 0.00 0.56 -0.18 0.00 -0.00 0.00 0.00 39.64 40.02 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 -2.59 0.14 -0.10 4.28 2.46 -0.52 -4.72 115.29 114.24 1ug8 s HIS 58 Ca 0.11 0.18 -0.16 0.00 0.47 0.00 0.00 55.06 55.66 1ug8 s HIS 58 Cb 0.01 -0.49 -0.05 0.00 -0.13 0.00 0.00 32.58 31.92 1ug8 s HIS 58 CO 0.08 -0.19 0.40 0.08 -2.47 0.00 0.00 174.74 172.64 1ug8 s VAL 59 N 1.96 5.18 -0.04 0.89 1.01 -1.26 -0.70 120.40 127.44 1ug8 s VAL 59 Ca 0.03 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 1ug8 s VAL 59 Cb -0.12 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1ug8 s VAL 59 CO -0.03 0.41 0.15 -1.83 0.00 0.00 0.00 175.10 173.80 1ug8 s GLU 60 N 0.11 0.26 -0.52 2.72 -1.05 0.19 -4.95 118.70 115.46 1ug8 s GLU 60 Ca 0.23 0.05 -0.19 0.00 -0.15 0.00 0.00 54.97 54.90 1ug8 s GLU 60 Cb -0.15 0.12 0.06 0.00 -0.44 0.00 0.00 34.13 33.72 1ug8 s GLU 60 CO 0.09 -0.05 0.66 0.99 0.95 0.00 0.00 175.26 177.91 1ug8 s THR 61 N -0.31 4.83 -0.08 1.83 2.01 -1.26 0.89 115.64 123.55 1ug8 s THR 61 Ca -0.04 -0.50 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 1ug8 s THR 61 Cb -0.03 -4.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1ug8 s THR 61 CO 0.01 -0.87 0.32 -0.76 -0.69 0.00 0.00 174.62 172.63 1ug8 s LEU 62 N 2.74 4.38 -0.10 4.42 1.43 -0.24 -4.77 118.68 126.54 1ug8 s LEU 62 Ca 0.16 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 1ug8 s LEU 62 Cb -0.19 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.61 1ug8 s LEU 62 CO 0.12 0.26 -0.18 -0.70 0.23 0.00 0.00 176.35 176.08 1ug8 s GLU 63 N -0.55 2.46 0.00 1.70 2.12 -1.26 0.98 118.70 124.15 1ug8 s GLU 63 Ca 0.20 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1ug8 s GLU 63 Cb -0.15 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.28 1ug8 s GLU 63 CO 0.09 0.05 0.00 0.25 -0.54 0.00 0.00 175.26 175.11 1ug8 n THR 64 N 3.84 0.00 -0.05 -1.70 -2.24 -1.26 -4.83 114.28 108.05 1ug8 n THR 64 Ca -0.20 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 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 1.17 -0.07 3.42 2.03 -1.26 -4.12 116.55 117.73 1ug8 n ASP 65 Ca 0.00 0.46 -0.17 0.00 0.52 0.00 0.00 54.79 55.60 1ug8 n ASP 65 Cb 0.00 -0.73 -0.13 0.00 -0.72 0.00 0.00 41.12 39.54 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 -3.77 0.69 -0.10 -0.67 2.85 -1.26 -4.31 118.16 111.59 1ug8 n LYS 66 Ca -0.05 0.18 -0.06 0.00 -1.05 0.00 0.00 58.31 57.33 1ug8 n LYS 66 Cb 0.19 -1.61 0.01 0.00 -0.65 0.00 0.00 35.03 32.97 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 0.02 0.26 -3.02 -1.58 1.63 -1.97 -3.48 116.57 108.44 1ug8 h LYS 67 Ca -0.49 -0.02 0.34 0.00 -0.85 0.00 0.00 60.65 59.64 1ug8 h LYS 67 Cb 2.01 -0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 33.46 1ug8 h LYS 67 CO 0.00 0.17 -0.70 -1.91 -3.45 0.00 0.00 179.45 173.57 1ug8 n GLU 68 N -5.02 -2.78 -1.53 1.90 2.13 -1.26 -4.44 120.64 109.64 1ug8 n GLU 68 Ca 0.01 2.00 -0.38 0.00 0.66 0.00 0.00 57.16 59.44 1ug8 n GLU 68 Cb 0.12 -3.34 -0.09 0.00 0.27 0.00 0.00 31.44 28.40 1ug8 n GLU 68 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1ug8 n ARG 69 N -4.08 0.55 -4.69 5.31 1.85 -1.19 -4.01 116.66 110.40 1ug8 n ARG 69 Ca -0.02 -0.01 -0.23 0.00 -1.00 0.00 0.00 57.85 56.59 1ug8 n ARG 69 Cb 0.61 -2.53 -0.15 0.00 -1.05 0.00 0.00 32.46 29.34 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1ug8 s HIS 70 N 10.71 1.45 0.25 2.89 -3.43 0.27 -4.52 115.29 122.91 1ug8 s HIS 70 Ca 1.16 -0.29 -0.30 0.00 -0.80 0.00 0.00 55.06 54.82 1ug8 s HIS 70 Cb -0.68 -0.91 -0.10 0.00 -1.43 0.00 0.00 32.58 29.45 1ug8 s HIS 70 CO 0.37 -0.00 1.51 0.42 -2.00 0.00 0.00 174.74 175.03 1ug8 s ILE 71 N -0.49 2.48 0.01 -5.38 1.01 -1.26 -1.08 121.20 116.50 1ug8 s ILE 71 Ca 0.06 0.39 0.03 0.00 0.00 0.00 0.00 60.65 61.13 1ug8 s ILE 71 Cb -0.07 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 1ug8 s ILE 71 CO -0.00 0.06 -0.09 -0.69 0.00 0.00 0.00 174.94 174.21 1ug8 s VAL 72 N 0.20 0.74 0.12 2.92 1.01 0.26 -1.07 120.40 124.57 1ug8 s VAL 72 Ca 0.62 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1ug8 s VAL 72 Cb -0.44 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1ug8 s VAL 72 CO 0.42 0.03 -0.09 -0.63 0.00 0.00 0.00 175.10 174.84 1ug8 s ILE 73 N -0.57 3.37 0.08 2.22 1.09 0.89 0.56 121.20 128.84 1ug8 s ILE 73 Ca 0.00 -1.35 0.02 0.00 -1.10 0.00 0.00 60.65 58.22 1ug8 s ILE 73 Cb -0.06 -2.60 -0.04 0.00 -1.06 0.00 0.00 42.46 38.70 1ug8 s ILE 73 CO 0.00 0.05 -0.06 -0.55 -0.10 0.00 0.00 174.94 174.28 1ug8 s SER 74 N -2.38 1.01 -0.14 3.58 0.15 0.13 0.63 113.70 116.67 1ug8 s SER 74 Ca 0.23 -0.90 -0.29 0.00 0.70 0.00 0.00 55.95 55.68 1ug8 s SER 74 Cb -0.11 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1ug8 s SER 74 CO 0.14 -0.42 1.08 -0.54 1.20 0.00 0.00 173.24 174.71 1ug8 s LYS 75 N -3.33 4.34 0.28 5.44 1.02 0.93 -1.43 119.74 126.99 1ug8 s LYS 75 Ca 0.06 1.46 0.06 0.00 0.02 0.00 0.00 55.97 57.58 1ug8 s LYS 75 Cb 0.02 -3.60 -0.06 0.00 -0.52 0.00 0.00 37.83 33.67 1ug8 s LYS 75 CO -0.04 -0.48 -0.05 0.08 -0.92 0.00 0.00 175.35 173.94 1ug8 s VAL 76 N 2.58 1.61 0.15 3.17 1.01 0.94 -4.85 120.40 125.02 1ug8 s VAL 76 Ca 0.49 -2.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.26 1ug8 s VAL 76 Cb -0.19 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1ug8 s VAL 76 CO 0.15 -0.29 0.29 -0.62 0.00 0.00 0.00 175.10 174.62 1ug8 s ASP 77 N -3.44 0.03 0.05 3.32 2.15 -1.25 -4.47 116.67 113.05 1ug8 s ASP 77 Ca 0.30 -0.79 -0.28 0.00 0.43 0.00 0.00 52.55 52.21 1ug8 s ASP 77 Cb 0.04 0.43 -0.17 0.00 -0.30 0.00 0.00 42.92 42.92 1ug8 s ASP 77 CO 0.12 -0.87 1.49 -0.33 -0.17 0.00 0.00 175.17 175.41 1ug8 h GLU 78 N 2.55 -0.51 0.25 4.34 5.08 -1.93 -2.30 114.58 122.05 1ug8 h GLU 78 Ca -0.32 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ug8 h GLU 78 Cb 1.23 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1ug8 h GLU 78 CO 0.49 -0.26 -0.38 0.93 -1.00 0.00 0.00 179.01 178.78 1ug8 h GLU 79 N -0.67 -0.64 -0.17 2.33 4.39 -1.98 -3.08 114.58 114.77 1ug8 h GLU 79 Ca -0.05 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1ug8 h GLU 79 Cb 0.48 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1ug8 h GLU 79 CO 0.09 -0.42 -0.10 -1.91 -1.16 0.00 0.00 179.01 175.50 1ug8 n GLU 80 N -4.67 -0.07 -1.84 2.33 2.13 -1.23 -4.22 120.64 113.06 1ug8 n GLU 80 Ca -0.08 1.04 -0.42 0.00 0.66 0.00 0.00 57.16 58.36 1ug8 n GLU 80 Cb 0.33 -1.55 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 1ug8 n GLU 80 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1ug8 s ARG 81 N -3.44 4.17 0.01 5.31 6.06 -0.87 -4.90 118.95 125.29 1ug8 s ARG 81 Ca -0.02 2.46 -0.21 0.00 -2.50 0.00 0.00 55.73 55.46 1ug8 s ARG 81 Cb 0.02 -3.38 -0.19 0.00 0.06 0.00 0.00 34.95 31.46 1ug8 s ARG 81 CO 0.10 -0.73 1.20 1.03 -2.50 0.00 0.00 175.30 174.41 1ug8 h SER 82 N 7.70 0.40 -4.44 -2.12 0.87 -1.79 -3.45 113.55 110.73 1ug8 h SER 82 Ca -0.44 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.50 1ug8 h SER 82 Cb 1.21 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1ug8 h SER 82 CO 0.94 0.96 0.00 0.61 -0.53 0.00 0.00 176.83 178.81 1ug8 n GLY 83 N 0.64 -0.54 3.82 5.77 0.00 -1.26 -5.00 105.19 108.61 1ug8 n GLY 83 Ca -0.08 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.58 3.14 -0.19 1.61 0.04 -1.26 -5.02 135.00 129.74 1ug8 s PRO 84 Ca 0.00 1.04 -0.15 0.00 0.04 0.00 0.00 61.00 61.94 1ug8 s PRO 84 Cb 0.00 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1ug8 s PRO 84 CO 0.00 -0.95 -0.19 0.45 0.04 0.00 0.00 177.00 176.35 1ug8 n SER 85 N -2.64 1.88 0.29 6.66 2.88 -1.26 -4.58 113.62 116.85 1ug8 n SER 85 Ca 0.08 0.46 -0.17 0.00 -1.33 0.00 0.00 58.87 57.91 1ug8 n SER 85 Cb 0.53 -0.84 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 1ug8 n SER 85 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ug8 h SER 86 N -1.00 -0.59 0.00 -3.46 0.02 -2.05 -3.57 113.55 102.90 1ug8 h SER 86 Ca -0.17 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1ug8 h SER 86 Cb 0.96 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1ug8 h SER 86 CO -0.10 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 175.78