#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubx n PRO 21 N 0.00 1.59 0.00 -1.46 -0.05 -1.26 -3.82 135.00 130.00 1ubx n PRO 21 Ca 0.00 -1.24 0.00 0.00 -0.05 0.00 0.00 63.50 62.21 1ubx n PRO 21 Cb 0.00 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 31.96 1ubx n PRO 21 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 1ubx n VAL 22 N 0.23 0.00 -0.05 0.52 0.31 -1.26 -4.93 118.33 113.16 1ubx n VAL 22 Ca 0.24 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 1ubx n VAL 22 Cb 0.74 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.65 1ubx n VAL 22 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ubx h VAL 23 N 0.00 0.95 -0.73 2.52 2.07 -2.01 -2.30 116.25 116.75 1ubx h VAL 23 Ca 0.00 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1ubx h VAL 23 Cb 0.00 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1ubx h VAL 23 CO 0.00 0.04 0.34 1.62 0.02 0.00 0.00 177.57 179.59 1ubx h VAL 24 N 0.20 0.78 -0.82 2.57 3.04 -1.95 0.46 116.25 120.54 1ubx h VAL 24 Ca 0.10 -0.19 0.02 0.00 -1.01 0.00 0.00 66.70 65.62 1ubx h VAL 24 Cb 0.06 0.18 -0.04 0.00 -2.01 0.00 0.00 31.29 29.47 1ubx h VAL 24 CO -0.09 0.10 0.54 -0.33 -1.01 0.00 0.00 177.57 176.78 1ubx h GLU 25 N 0.56 1.02 -0.11 4.17 5.08 -1.72 0.53 114.58 124.10 1ubx h GLU 25 Ca 0.38 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1ubx h GLU 25 Cb 0.46 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ubx h GLU 25 CO -0.31 0.68 0.05 0.00 -1.00 0.00 0.00 179.01 178.42 1ubx h ARG 26 N 1.05 0.16 -0.13 2.33 2.47 0.41 1.04 114.38 121.72 1ubx h ARG 26 Ca 0.31 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 59.04 1ubx h ARG 26 Cb -0.04 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 1ubx h ARG 26 CO -0.08 0.26 -0.08 0.93 0.56 0.00 0.00 179.97 181.56 1ubx h GLU 27 N 0.03 -0.08 -1.15 0.04 5.08 -0.69 0.83 114.58 118.64 1ubx h GLU 27 Ca 0.04 0.01 0.43 0.00 -1.00 0.00 0.00 59.36 58.83 1ubx h GLU 27 Cb 0.16 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.27 1ubx h GLU 27 CO -0.00 -0.05 0.68 -0.09 -1.00 0.00 0.00 179.01 178.54 1ubx h ARG 28 N -0.08 0.05 0.00 2.33 9.65 0.19 1.92 114.38 128.43 1ubx h ARG 28 Ca 0.08 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1ubx h ARG 28 Cb 0.20 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1ubx h ARG 28 CO -0.18 0.03 -0.82 1.05 2.80 0.00 0.00 179.97 182.85 1ubx h GLU 29 N 0.05 0.00 -0.02 0.20 4.11 0.75 -3.01 114.58 116.66 1ubx h GLU 29 Ca 0.84 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 60.27 1ubx h GLU 29 Cb 2.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.64 1ubx h GLU 29 CO -0.62 0.00 0.00 1.49 0.07 0.00 0.00 179.01 179.95 1ubx h GLU 30 N 0.00 0.03 0.40 1.06 4.81 0.72 -1.14 114.58 120.46 1ubx h GLU 30 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ubx h GLU 30 Cb 0.95 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1ubx h GLU 30 CO 0.00 0.32 -0.32 0.35 -0.73 0.00 0.00 179.01 178.64 1ubx h PHE 31 N -0.27 -0.84 -0.77 0.92 3.57 -1.27 -0.31 116.94 117.98 1ubx h PHE 31 Ca 0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1ubx h PHE 31 Cb 0.31 0.32 -0.09 0.00 2.79 0.00 0.00 35.95 39.27 1ubx h PHE 31 CO 0.03 -0.46 0.33 0.28 -2.23 0.00 0.00 178.31 176.26 1ubx h VAL 32 N -0.71 0.70 0.00 1.41 2.07 -1.61 0.81 116.25 118.91 1ubx h VAL 32 Ca -0.03 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1ubx h VAL 32 Cb 0.62 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1ubx h VAL 32 CO -0.01 0.09 0.00 1.23 0.02 0.00 0.00 177.57 178.90 1ubx h GLY 33 N 0.50 0.00 2.00 2.17 0.00 0.22 -2.92 103.07 105.04 1ubx h GLY 33 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1ubx h GLY 33 CO -0.38 0.00 -0.08 -2.75 0.00 0.00 0.00 176.54 173.34 1ubx h PHE 34 N 0.00 0.00 -0.58 5.60 3.57 0.21 -3.41 116.94 122.32 1ubx h PHE 34 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1ubx h PHE 34 Cb 0.09 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 1ubx h PHE 34 CO 0.00 0.08 -0.37 0.35 -2.23 0.00 0.00 178.31 176.14 1ubx h PHE 35 N 0.00 -1.17 -1.17 0.41 3.57 -1.57 -1.59 116.94 115.41 1ubx h PHE 35 Ca -0.00 0.08 0.34 0.00 3.53 0.00 0.00 57.97 61.92 1ubx h PHE 35 Cb 1.03 0.59 -0.11 0.00 2.79 0.00 0.00 35.95 40.25 1ubx h PHE 35 CO 0.00 -0.24 0.75 -1.35 -2.23 0.00 0.00 178.31 175.24 1ubx h PRO 36 N -0.03 0.23 0.40 6.41 0.11 -1.86 1.04 132.00 138.30 1ubx h PRO 36 Ca 0.09 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1ubx h PRO 36 Cb 0.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1ubx h PRO 36 CO -0.56 0.15 -0.19 0.37 -0.21 0.00 0.00 178.00 177.56 1ubx h GLN 37 N 0.24 -0.51 -0.99 1.05 -0.00 -1.58 1.95 115.11 115.26 1ubx h GLN 37 Ca 0.70 0.04 0.02 0.00 -0.00 0.00 0.00 58.65 59.40 1ubx h GLN 37 Cb 2.01 0.12 -0.05 0.00 0.00 0.00 0.00 27.48 29.55 1ubx h GLN 37 CO -0.35 -0.23 0.66 0.82 0.00 0.00 0.00 178.83 179.72 1ubx h ILE 38 N -0.76 1.22 -0.42 2.39 1.08 -0.19 0.62 117.51 121.45 1ubx h ILE 38 Ca -0.05 -0.45 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1ubx h ILE 38 Cb 0.52 -0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.04 1ubx h ILE 38 CO 0.09 0.24 0.25 0.58 -0.69 0.00 0.00 178.15 178.62 1ubx h VAL 39 N 1.30 1.05 -0.46 1.67 2.07 0.15 0.48 116.25 122.51 1ubx h VAL 39 Ca 0.38 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.74 1ubx h VAL 39 Cb -0.08 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1ubx h VAL 39 CO -0.10 0.09 0.28 0.03 0.02 0.00 0.00 177.57 177.89 1ubx h ARG 40 N 0.51 0.55 -0.47 1.57 3.08 0.57 -1.58 114.38 118.60 1ubx h ARG 40 Ca 0.17 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.25 1ubx h ARG 40 Cb 0.00 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 29.83 1ubx h ARG 40 CO -0.07 0.36 -0.46 -0.44 -1.07 0.00 0.00 179.97 178.29 1ubx h ASP 41 N 0.56 -1.55 0.20 7.04 3.32 0.15 0.19 116.42 126.34 1ubx h ASP 41 Ca 0.18 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1ubx h ASP 41 Cb -0.00 0.68 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1ubx h ASP 41 CO -0.08 -0.36 0.00 0.18 -1.72 0.00 0.00 179.24 177.26 1ubx n LEU 42 N -5.40 0.07 0.00 1.55 4.77 0.15 -4.22 117.00 113.92 1ubx n LEU 42 Ca -0.00 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1ubx n LEU 42 Cb 0.35 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1ubx n LEU 42 CO 0.01 -0.45 0.00 0.35 -1.33 0.00 0.00 177.39 175.97 1ubx n THR 43 N -1.58 0.00 -0.26 -5.08 -2.24 -0.97 -4.85 114.28 99.29 1ubx n THR 43 Ca 0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1ubx n THR 43 Cb 0.07 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.51 1ubx n THR 43 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ubx h GLU 44 N 0.00 0.30 0.01 -0.78 4.57 -1.14 0.40 114.58 117.94 1ubx h GLU 44 Ca 0.00 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 1ubx h GLU 44 Cb 0.00 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1ubx h GLU 44 CO 0.00 0.20 -0.89 -0.44 -1.18 0.00 0.00 179.01 176.70 1ubx h ASP 45 N 0.31 0.20 -0.09 1.04 3.32 -1.86 -3.31 116.42 116.03 1ubx h ASP 45 Ca 0.44 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1ubx h ASP 45 Cb 0.77 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1ubx h ASP 45 CO -0.51 0.99 -0.04 1.23 -1.72 0.00 0.00 179.24 179.19 1ubx h GLY 46 N 2.01 0.20 -7.36 2.75 0.00 -1.41 -3.39 103.07 95.87 1ubx h GLY 46 Ca -0.04 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 46.90 1ubx h GLY 46 CO 0.13 0.16 0.85 1.39 0.00 0.00 0.00 176.54 179.07 1ubx n ILE 47 N -4.75 -0.03 0.00 2.60 2.08 -0.04 -1.63 119.36 117.59 1ubx n ILE 47 Ca -0.07 -0.56 0.00 0.00 0.56 0.00 0.00 62.75 62.69 1ubx n ILE 47 Cb 0.26 -1.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.24 1ubx n ILE 47 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ubx n GLY 48 N 6.40 1.20 3.62 7.39 0.00 -1.26 -4.99 105.19 117.55 1ubx n GLY 48 Ca 0.48 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 1ubx n GLY 48 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ubx n HIS 49 N 0.00 2.17 0.00 1.61 -0.00 -0.64 -4.72 115.22 113.64 1ubx n HIS 49 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.51 1ubx n HIS 49 Cb 0.00 -2.75 0.00 0.00 -0.00 0.00 0.00 29.99 27.24 1ubx n HIS 49 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ubx n PRO 50 N 8.22 0.00 0.05 1.57 -0.04 -1.26 -0.65 135.00 142.90 1ubx n PRO 50 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1ubx n PRO 50 Cb 0.42 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1ubx n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ubx n GLU 51 N -0.17 0.00 -0.18 0.54 1.02 -1.26 -4.87 120.64 115.73 1ubx n GLU 51 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1ubx n GLU 51 Cb 0.00 -0.42 0.22 0.00 -0.02 0.00 0.00 31.44 31.22 1ubx n GLU 51 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ubx n VAL 52 N -3.39 0.46 -0.26 2.62 0.24 -1.17 -4.59 118.33 112.25 1ubx n VAL 52 Ca 0.00 -0.71 -0.01 0.00 -2.04 0.00 0.00 64.34 61.58 1ubx n VAL 52 Cb 0.08 0.96 0.06 0.00 -1.47 0.00 0.00 33.84 33.47 1ubx n VAL 52 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1ubx h GLY 53 N 4.58 0.31 0.49 7.63 0.00 -1.06 0.31 103.07 115.33 1ubx h GLY 53 Ca 0.00 0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.75 1ubx h GLY 53 CO 0.00 -0.26 0.38 -0.55 0.00 0.00 0.00 176.54 176.12 1ubx h ASP 54 N -0.05 0.52 0.26 0.19 5.19 -1.84 -1.55 116.42 119.15 1ubx h ASP 54 Ca 0.32 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.78 1ubx h ASP 54 Cb 0.56 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1ubx h ASP 54 CO -0.77 0.29 -0.13 0.00 -3.12 0.00 0.00 179.24 175.52 1ubx h ALA 55 N 1.43 -0.36 0.00 3.45 0.00 -0.80 -0.75 119.26 122.24 1ubx h ALA 55 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ubx h ALA 55 Cb 0.36 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ubx h ALA 55 CO -0.26 -0.68 -0.03 -0.39 0.00 0.00 0.00 179.25 177.89 1ubx h VAL 56 N -0.39 0.08 -0.06 0.00 -1.51 -0.46 -0.21 116.25 113.70 1ubx h VAL 56 Ca -0.04 -0.56 -0.25 0.00 -1.23 0.00 0.00 66.70 64.63 1ubx h VAL 56 Cb 0.30 1.51 0.02 0.00 -2.13 0.00 0.00 31.29 30.99 1ubx h VAL 56 CO 0.06 0.03 -0.95 0.00 -1.23 0.00 0.00 177.57 175.48 1ubx h ALA 57 N 1.97 0.21 -0.15 5.19 0.00 -0.68 -0.88 119.26 124.92 1ubx h ALA 57 Ca -0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ubx h ALA 57 Cb 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ubx h ALA 57 CO 0.00 0.69 0.09 -0.09 0.00 0.00 0.00 179.25 179.95 1ubx h ARG 58 N 0.44 0.20 -0.95 0.00 2.43 0.10 -2.53 114.38 114.07 1ubx h ARG 58 Ca -0.10 -0.02 0.27 0.00 -0.81 0.00 0.00 59.98 59.33 1ubx h ARG 58 Cb 1.59 -0.04 -0.18 0.00 -0.42 0.00 0.00 29.97 30.92 1ubx h ARG 58 CO 0.19 0.17 0.06 -0.11 -1.51 0.00 0.00 179.97 178.77 1ubx n LEU 59 N -4.96 -0.07 0.16 3.80 0.00 -0.21 -0.83 117.00 114.88 1ubx n LEU 59 Ca -0.04 1.61 -0.15 0.00 0.00 0.00 0.00 56.01 57.42 1ubx n LEU 59 Cb 0.05 -0.60 -0.08 0.00 0.00 0.00 0.00 43.42 42.79 1ubx n LEU 59 CO 0.34 -1.64 0.59 0.50 0.00 0.00 0.00 177.39 177.17 1ubx h LYS 60 N 0.00 -0.69 -0.20 1.96 3.64 -0.73 0.52 116.57 121.08 1ubx h LYS 60 Ca 0.60 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.96 1ubx h LYS 60 Cb 1.27 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1ubx h LYS 60 CO -0.88 -0.46 -0.17 1.05 -2.27 0.00 0.00 179.45 176.72 1ubx h GLU 61 N -0.72 0.34 -0.42 1.90 4.11 -0.95 1.01 114.58 119.85 1ubx h GLU 61 Ca -0.00 -0.10 0.01 0.00 0.07 0.00 0.00 59.36 59.35 1ubx h GLU 61 Cb 0.70 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1ubx h GLU 61 CO -0.18 0.51 0.26 0.28 0.07 0.00 0.00 179.01 179.95 1ubx h VAL 62 N 0.32 1.07 0.55 -1.06 2.07 -1.02 0.61 116.25 118.78 1ubx h VAL 62 Ca 0.06 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1ubx h VAL 62 Cb 0.49 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1ubx h VAL 62 CO 0.03 0.10 -0.26 -0.07 0.02 0.00 0.00 177.57 177.38 1ubx h LEU 63 N 0.52 -0.63 -1.14 2.57 4.07 0.29 -1.66 115.31 119.33 1ubx h LEU 63 Ca 0.16 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.08 1ubx h LEU 63 Cb -0.02 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1ubx h LEU 63 CO -0.06 -0.43 0.06 1.56 -1.08 0.00 0.00 178.44 178.49 1ubx h GLN 64 N -0.77 0.66 -0.30 1.13 4.20 0.18 -2.28 115.11 117.94 1ubx h GLN 64 Ca -0.08 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.37 1ubx h GLN 64 Cb 0.58 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1ubx h GLN 64 CO 0.12 0.64 -0.33 -0.92 -0.67 0.00 0.00 178.83 177.67 1ubx h TYR 65 N 0.63 0.90 0.11 2.96 5.03 0.21 -3.41 116.97 123.41 1ubx h TYR 65 Ca 0.14 -0.28 -0.28 0.00 2.58 0.00 0.00 58.73 60.89 1ubx h TYR 65 Cb 0.31 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.40 1ubx h TYR 65 CO 0.01 1.05 -1.41 -0.91 -1.32 0.00 0.00 178.16 175.58 1ubx h ASN 66 N 0.50 0.38 -0.20 -2.11 4.21 -0.85 -3.44 115.58 114.07 1ubx h ASN 66 Ca 0.04 -0.85 -0.19 0.00 1.21 0.00 0.00 56.30 56.51 1ubx h ASN 66 Cb 0.91 -0.12 0.01 0.00 -1.12 0.00 0.00 38.32 37.99 1ubx h ASN 66 CO 0.08 1.62 -0.63 0.00 -1.29 0.00 0.00 177.43 177.21 1ubx h ALA 67 N -0.05 0.34 -2.44 -0.83 0.00 -1.64 -3.45 119.26 111.19 1ubx h ALA 67 Ca -0.30 -0.55 -0.52 0.00 0.00 0.00 0.00 54.91 53.54 1ubx h ALA 67 Cb 1.76 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1ubx h ALA 67 CO 0.06 0.61 0.00 -1.25 0.00 0.00 0.00 179.25 178.67 1ubx s PRO 68 N -3.89 3.95 0.00 0.00 0.04 -1.26 -4.56 135.00 129.27 1ubx s PRO 68 Ca -0.11 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1ubx s PRO 68 Cb 0.08 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1ubx s PRO 68 CO 0.88 0.27 0.00 0.41 0.04 0.00 0.00 177.00 178.61 1ubx n GLY 69 N -0.04 1.17 0.00 0.56 0.00 -1.26 -4.98 105.19 100.64 1ubx n GLY 69 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ubx n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubx n GLY 70 N 0.00 -0.38 0.10 -0.02 0.00 -1.26 -4.99 105.19 98.63 1ubx n GLY 70 Ca 0.00 -1.66 0.10 0.00 0.00 0.00 0.00 46.02 44.46 1ubx n GLY 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ubx n LYS 71 N 0.00 0.62 -0.87 1.61 4.81 -1.26 -4.96 118.16 118.11 1ubx n LYS 71 Ca 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1ubx n LYS 71 Cb 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.28 1ubx n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ubx h ASN 73 N 0.00 0.00 0.35 0.00 -0.26 -1.98 0.40 115.58 114.09 1ubx h ASN 73 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1ubx h ASN 73 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1ubx h ASN 73 CO 0.00 0.00 -0.17 0.03 -1.06 0.00 0.00 177.43 176.23 1ubx h ARG 74 N 0.00 -0.45 -0.50 0.81 3.08 -1.92 -2.41 114.38 112.98 1ubx h ARG 74 Ca 0.00 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.18 1ubx h ARG 74 Cb 0.78 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.85 1ubx h ARG 74 CO 0.00 -0.30 -0.01 0.78 -1.07 0.00 0.00 179.97 179.37 1ubx h GLY 75 N -1.02 0.51 -0.11 0.04 0.00 -1.52 0.13 103.07 101.11 1ubx h GLY 75 Ca -0.05 0.07 0.23 0.00 0.00 0.00 0.00 47.33 47.58 1ubx h GLY 75 CO 0.08 -0.14 0.55 1.41 0.00 0.00 0.00 176.54 178.43 1ubx h LEU 76 N 0.11 0.61 -0.65 3.11 3.38 -0.99 -1.09 115.31 119.79 1ubx h LEU 76 Ca 0.25 0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.49 1ubx h LEU 76 Cb 0.38 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.06 1ubx h LEU 76 CO -0.43 0.11 -0.13 0.74 0.09 0.00 0.00 178.44 178.82 1ubx h THR 77 N 0.56 0.37 -0.12 0.22 2.02 -0.19 0.32 112.91 116.09 1ubx h THR 77 Ca 0.61 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.81 1ubx h THR 77 Cb 1.13 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1ubx h THR 77 CO -0.47 0.00 -0.35 0.58 0.37 0.00 0.00 175.52 175.66 1ubx h VAL 78 N 0.02 0.00 -0.98 3.16 2.07 -1.26 0.11 116.25 119.37 1ubx h VAL 78 Ca 0.32 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.06 1ubx h VAL 78 Cb 0.50 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.18 1ubx h VAL 78 CO -0.65 0.00 0.63 0.58 0.02 0.00 0.00 177.57 178.15 1ubx h VAL 79 N -0.34 0.63 0.43 2.57 2.07 -1.52 0.41 116.25 120.50 1ubx h VAL 79 Ca 0.03 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ubx h VAL 79 Cb 0.42 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1ubx h VAL 79 CO -0.30 0.09 -0.21 0.00 0.02 0.00 0.00 177.57 177.18 1ubx h ALA 80 N 1.63 -0.58 -0.77 1.67 0.00 0.18 -2.20 119.26 119.19 1ubx h ALA 80 Ca 0.55 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.37 1ubx h ALA 80 Cb 1.20 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1ubx h ALA 80 CO -0.28 -0.75 0.44 0.00 0.00 0.00 0.00 179.25 178.66 1ubx h ALA 81 N -0.23 1.06 -0.29 0.00 0.00 0.17 0.37 119.26 120.33 1ubx h ALA 81 Ca -0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ubx h ALA 81 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ubx h ALA 81 CO 0.10 0.12 0.18 -0.92 0.00 0.00 0.00 179.25 178.72 1ubx h TYR 82 N 0.79 0.37 -0.18 0.00 3.20 -0.28 0.40 116.97 121.26 1ubx h TYR 82 Ca 0.35 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1ubx h TYR 82 Cb 0.25 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1ubx h TYR 82 CO -0.06 0.24 -0.04 -0.09 -1.64 0.00 0.00 178.16 176.57 1ubx h ARG 83 N 0.39 0.35 0.00 1.82 2.43 0.35 0.14 114.38 119.87 1ubx h ARG 83 Ca 0.10 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1ubx h ARG 83 Cb -0.02 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1ubx h ARG 83 CO -0.02 0.61 -0.15 0.93 -1.51 0.00 0.00 179.97 179.83 1ubx h GLU 84 N 0.06 0.00 0.03 0.20 4.39 -0.34 -3.36 114.58 115.56 1ubx h GLU 84 Ca 0.05 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.39 1ubx h GLU 84 Cb 0.48 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1ubx h GLU 84 CO 0.02 0.15 -2.19 1.28 -1.16 0.00 0.00 179.01 177.11 1ubx n LEU 85 N -3.40 1.59 -4.56 1.33 4.77 0.13 -4.95 117.00 111.90 1ubx n LEU 85 Ca -0.01 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.78 1ubx n LEU 85 Cb 0.34 -0.31 0.23 0.00 -2.33 0.00 0.00 43.42 41.34 1ubx n LEU 85 CO 0.31 0.68 0.57 -0.94 -1.33 0.00 0.00 177.39 176.67 1ubx s SER 86 N -6.24 1.41 0.33 -1.43 1.04 0.29 -5.00 113.70 104.10 1ubx s SER 86 Ca -0.19 1.21 0.10 0.00 0.48 0.00 0.00 55.95 57.55 1ubx s SER 86 Cb 0.07 -1.87 -0.06 0.00 0.10 0.00 0.00 66.02 64.27 1ubx s SER 86 CO 0.75 -3.89 -0.06 -0.83 0.98 0.00 0.00 173.24 170.19 1ubx s GLY 87 N -3.10 2.06 0.63 7.32 0.00 -1.26 -4.96 107.32 108.01 1ubx s GLY 87 Ca 0.67 -1.98 0.21 0.00 0.00 0.00 0.00 44.72 43.62 1ubx s GLY 87 CO 0.60 -1.95 1.50 -0.56 0.00 0.00 0.00 173.10 172.70 1ubx h PRO 88 N 1.97 0.00 -0.12 2.90 0.13 -2.00 1.22 132.00 136.10 1ubx h PRO 88 Ca -0.42 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 1ubx h PRO 88 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ubx h PRO 88 CO 0.67 0.00 -0.48 0.78 -0.23 0.00 0.00 178.00 178.73 1ubx h GLY 89 N 0.00 0.59 -3.45 1.56 0.00 -2.04 -3.32 103.07 96.40 1ubx h GLY 89 Ca 0.18 -0.81 -0.38 0.00 0.00 0.00 0.00 47.33 46.33 1ubx h GLY 89 CO -0.00 0.72 0.48 -1.06 0.00 0.00 0.00 176.54 176.68 1ubx n GLN 90 N -4.24 1.93 -0.28 4.80 6.02 0.42 -4.23 117.38 121.80 1ubx n GLN 90 Ca -0.08 -1.95 0.07 0.00 -0.01 0.00 0.00 57.00 55.03 1ubx n GLN 90 Cb 0.59 -1.77 0.19 0.00 1.02 0.00 0.00 30.24 30.28 1ubx n GLN 90 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ubx n LYS 91 N -0.22 2.90 -2.05 -1.09 4.76 -1.20 -4.60 118.16 116.67 1ubx n LYS 91 Ca 0.38 -2.35 -0.41 0.00 -2.87 0.00 0.00 58.31 53.06 1ubx n LYS 91 Cb 0.87 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.55 1ubx n LYS 91 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1ubx s ASP 92 N -1.35 6.68 0.03 4.39 -4.77 -1.26 -4.74 116.67 115.65 1ubx s ASP 92 Ca 0.30 2.73 -0.04 0.00 -3.30 0.00 0.00 52.55 52.24 1ubx s ASP 92 Cb 0.20 -2.64 0.01 0.00 -1.09 0.00 0.00 42.92 39.40 1ubx s ASP 92 CO 0.13 -0.63 0.24 0.00 0.70 0.00 0.00 175.17 175.62 1ubx n ALA 93 N 1.24 -0.07 -0.09 2.11 0.00 -1.26 0.39 120.51 122.83 1ubx n ALA 93 Ca 0.02 0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1ubx n ALA 93 Cb 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 1ubx n ALA 93 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ubx h GLU 94 N 0.00 -0.02 -0.57 0.00 4.57 -2.01 0.12 114.58 116.68 1ubx h GLU 94 Ca 0.04 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1ubx h GLU 94 Cb 0.08 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1ubx h GLU 94 CO -0.15 -0.02 0.36 0.77 -1.18 0.00 0.00 179.01 178.80 1ubx h SER 95 N -0.02 0.61 -0.99 1.04 0.02 0.71 -3.05 113.55 111.86 1ubx h SER 95 Ca 0.15 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 1ubx h SER 95 Cb 0.26 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 1ubx h SER 95 CO -0.34 0.44 0.64 -0.07 -1.14 0.00 0.00 176.83 176.35 1ubx h LEU 96 N 0.73 1.00 -0.49 5.07 3.38 -0.30 -2.48 115.31 122.22 1ubx h LEU 96 Ca 0.22 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1ubx h LEU 96 Cb -0.04 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.43 1ubx h LEU 96 CO -0.07 0.61 -0.05 0.03 0.09 0.00 0.00 178.44 179.05 1ubx h ARG 97 N 1.12 0.06 -0.39 1.13 3.08 -0.67 -1.14 114.38 117.57 1ubx h ARG 97 Ca 0.45 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.45 1ubx h ARG 97 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1ubx h ARG 97 CO -0.20 0.04 0.08 0.00 -1.07 0.00 0.00 179.97 178.82 1ubx h ALA 99 N 0.93 0.57 0.16 0.00 0.00 -1.07 1.37 119.26 121.23 1ubx h ALA 99 Ca 0.12 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1ubx h ALA 99 Cb 0.35 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ubx h ALA 99 CO 0.01 -0.41 -0.08 -0.07 0.00 0.00 0.00 179.25 178.69 1ubx h LEU 100 N 0.06 -0.19 -0.00 0.00 3.38 0.38 -1.69 115.31 117.26 1ubx h LEU 100 Ca 0.34 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1ubx h LEU 100 Cb 0.55 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1ubx h LEU 100 CO -0.61 -0.05 -0.16 0.00 0.09 0.00 0.00 178.44 177.71 1ubx h ALA 101 N 0.50 -0.63 0.00 1.53 0.00 0.39 0.21 119.26 121.26 1ubx h ALA 101 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ubx h ALA 101 Cb 0.25 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ubx h ALA 101 CO 0.04 -0.68 0.38 0.28 0.00 0.00 0.00 179.25 179.27 1ubx h VAL 102 N -0.20 0.00 0.05 0.00 2.07 0.21 0.14 116.25 118.52 1ubx h VAL 102 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ubx h VAL 102 Cb 0.22 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1ubx h VAL 102 CO -0.11 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 178.69 1ubx h GLY 103 N 0.00 -0.07 1.60 2.17 0.00 0.34 -2.78 103.07 104.33 1ubx h GLY 103 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1ubx h GLY 103 CO 0.00 -0.02 0.15 1.49 0.00 0.00 0.00 176.54 178.16 1ubx h TRP 104 N -0.88 0.00 -0.38 5.60 4.06 -0.08 -1.64 115.95 122.62 1ubx h TRP 104 Ca -0.01 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.05 1ubx h TRP 104 Cb 0.66 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.80 1ubx h TRP 104 CO 0.16 0.00 0.27 0.00 -3.56 0.00 0.00 178.44 175.31 1ubx h ILE 106 N 0.04 1.13 -0.99 0.00 2.04 -1.28 -2.24 117.51 116.20 1ubx h ILE 106 Ca 0.18 -2.38 0.24 0.00 1.00 0.00 0.00 64.86 63.90 1ubx h ILE 106 Cb 0.68 2.76 -0.13 0.00 -0.74 0.00 0.00 36.82 39.40 1ubx h ILE 106 CO -0.01 0.65 0.57 -0.33 0.00 0.00 0.00 178.15 179.03 1ubx h GLU 107 N -0.46 0.54 -0.22 2.37 4.39 -1.04 -0.20 114.58 119.96 1ubx h GLU 107 Ca -0.27 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.27 1ubx h GLU 107 Cb 1.63 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1ubx h GLU 107 CO 0.03 0.36 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.78 1ubx h LEU 108 N 0.55 0.73 -0.76 1.33 3.38 0.50 -3.01 115.31 118.03 1ubx h LEU 108 Ca 0.64 -0.53 0.16 0.00 0.09 0.00 0.00 57.88 58.23 1ubx h LEU 108 Cb 1.21 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 1ubx h LEU 108 CO -0.49 1.12 0.24 0.15 0.09 0.00 0.00 178.44 179.56 1ubx h PHE 109 N 0.36 0.39 -0.14 1.13 3.57 -0.44 -1.17 116.94 120.64 1ubx h PHE 109 Ca 0.01 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 1ubx h PHE 109 Cb 0.98 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1ubx h PHE 109 CO 0.09 -0.03 -0.59 0.37 -2.23 0.00 0.00 178.31 175.91 1ubx h GLN 110 N 0.34 0.44 0.05 1.11 4.15 -1.30 -2.47 115.11 117.44 1ubx h GLN 110 Ca 0.43 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1ubx h GLN 110 Cb 0.72 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1ubx h GLN 110 CO -0.48 0.90 -0.21 0.00 -1.93 0.00 0.00 178.83 177.11 1ubx h ALA 111 N 1.03 -0.73 -0.85 3.38 0.00 -1.09 0.41 119.26 121.42 1ubx h ALA 111 Ca -0.00 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.01 1ubx h ALA 111 Cb 1.12 0.62 -0.15 0.00 0.00 0.00 0.00 17.79 19.39 1ubx h ALA 111 CO 0.10 -0.78 -0.29 0.00 0.00 0.00 0.00 179.25 178.28 1ubx n ALA 112 N -2.63 0.02 0.39 0.00 0.00 -0.92 0.71 120.51 118.08 1ubx n ALA 112 Ca -0.03 0.89 -0.15 0.00 0.00 0.00 0.00 53.44 54.14 1ubx n ALA 112 Cb 0.16 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 1ubx n ALA 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ubx h SER 113 N 0.00 -0.85 0.79 0.00 4.64 -0.92 -0.10 113.55 117.12 1ubx h SER 113 Ca 0.34 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1ubx h SER 113 Cb 0.55 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1ubx h SER 113 CO -0.86 -0.60 0.00 0.17 -0.87 0.00 0.00 176.83 174.67 1ubx h LEU 114 N -0.98 0.00 0.51 5.97 8.10 0.48 1.06 115.31 130.44 1ubx h LEU 114 Ca -0.10 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.87 1ubx h LEU 114 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.98 1ubx h LEU 114 CO 0.16 0.00 -0.24 0.58 -4.11 0.00 0.00 178.44 174.83 1ubx h VAL 115 N 0.00 0.50 -0.36 0.15 2.07 0.13 -2.21 116.25 116.53 1ubx h VAL 115 Ca 0.00 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1ubx h VAL 115 Cb 0.40 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1ubx h VAL 115 CO 0.00 0.01 -0.50 0.00 0.02 0.00 0.00 177.57 177.10 1ubx h ALA 116 N -0.24 -0.66 -0.76 1.67 0.00 0.29 0.50 119.26 120.05 1ubx h ALA 116 Ca -0.07 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.01 1ubx h ALA 116 Cb 0.54 1.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 1ubx h ALA 116 CO 0.11 -0.99 0.26 0.22 0.00 0.00 0.00 179.25 178.86 1ubx h ASP 117 N -0.40 0.18 -0.48 0.00 3.58 -1.06 -2.89 116.42 115.34 1ubx h ASP 117 Ca 0.09 0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.77 1ubx h ASP 117 Cb 0.61 0.14 -0.10 0.00 1.72 0.00 0.00 39.33 41.69 1ubx h ASP 117 CO -0.56 0.03 -0.28 0.44 -2.88 0.00 0.00 179.24 175.99 1ubx h ASP 118 N 0.37 -0.95 -0.69 2.28 3.32 -0.24 0.79 116.42 121.29 1ubx h ASP 118 Ca 0.43 0.19 0.11 0.00 0.02 0.00 0.00 57.03 57.79 1ubx h ASP 118 Cb 0.71 0.48 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 1ubx h ASP 118 CO -0.46 -0.29 0.29 0.40 -1.72 0.00 0.00 179.24 177.46 1ubx h ILE 119 N -0.17 0.75 0.00 0.35 2.04 -1.54 0.45 117.51 119.39 1ubx h ILE 119 Ca 0.21 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 1ubx h ILE 119 Cb 0.51 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1ubx h ILE 119 CO -0.58 0.09 -0.64 0.24 0.00 0.00 0.00 178.15 177.25 1ubx h MET 120 N 0.48 0.00 -0.01 2.37 2.86 -1.18 -3.08 114.93 116.36 1ubx h MET 120 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1ubx h MET 120 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1ubx h MET 120 CO -0.33 0.64 -0.33 -0.25 1.06 0.00 0.00 176.91 177.71 1ubx n ASP 121 N -3.40 1.64 -2.41 1.22 8.00 0.18 -4.96 116.55 116.82 1ubx n ASP 121 Ca 0.01 -1.29 -0.20 0.00 0.71 0.00 0.00 54.79 54.02 1ubx n ASP 121 Cb 0.74 0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 42.10 1ubx n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubx n GLN 122 N -0.18 -1.78 -0.85 -1.24 1.13 0.15 -4.96 117.38 109.65 1ubx n GLN 122 Ca 0.11 0.98 -0.30 0.00 -1.94 0.00 0.00 57.00 55.85 1ubx n GLN 122 Cb 0.42 -5.64 0.26 0.00 0.11 0.00 0.00 30.24 25.39 1ubx n GLN 122 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ubx s SER 123 N -2.06 0.14 0.00 1.08 0.01 -1.07 -5.00 113.70 106.81 1ubx s SER 123 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1ubx s SER 123 Cb -0.00 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1ubx s SER 123 CO 0.01 -4.60 0.00 0.18 0.41 0.00 0.00 173.24 169.23 1ubx n LEU 124 N -5.09 1.35 -4.15 2.44 7.99 -1.26 -4.90 117.00 113.38 1ubx n LEU 124 Ca 0.14 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.97 1ubx n LEU 124 Cb 0.60 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.79 1ubx n LEU 124 CO 0.43 0.23 -0.44 -0.89 -1.51 0.00 0.00 177.39 175.21 1ubx s THR 125 N -1.60 0.97 -0.04 -5.08 2.01 -1.26 -2.52 115.64 108.12 1ubx s THR 125 Ca 0.00 -1.34 -0.11 0.00 0.31 0.00 0.00 61.69 60.55 1ubx s THR 125 Cb 0.00 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.48 1ubx s THR 125 CO 0.00 -0.33 0.24 -0.60 -0.69 0.00 0.00 174.62 173.24 1ubx s ARG 126 N -1.95 0.49 -0.21 4.92 6.06 0.26 -4.84 118.95 123.67 1ubx s ARG 126 Ca -0.02 -0.06 -0.01 0.00 -2.50 0.00 0.00 55.73 53.14 1ubx s ARG 126 Cb -0.08 0.22 0.01 0.00 0.06 0.00 0.00 34.95 35.15 1ubx s ARG 126 CO 0.01 -0.11 0.03 2.89 -2.50 0.00 0.00 175.30 175.62 1ubx n ARG 127 N 1.91 -0.98 0.00 5.12 1.85 -1.26 0.15 116.66 123.45 1ubx n ARG 127 Ca -0.19 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 1ubx n ARG 127 Cb 0.57 -0.51 0.00 0.00 -1.05 0.00 0.00 32.46 31.46 1ubx n ARG 127 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ubx n GLY 128 N -0.95 1.00 1.95 2.89 0.00 -1.26 -4.98 105.19 103.85 1ubx n GLY 128 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1ubx n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubx n GLN 129 N -2.00 0.42 -2.57 1.61 10.64 0.39 -5.11 117.38 120.75 1ubx n GLN 129 Ca 0.00 -2.02 -0.41 0.00 -1.83 0.00 0.00 57.00 52.73 1ubx n GLN 129 Cb 0.00 1.45 -0.04 0.00 -0.86 0.00 0.00 30.24 30.80 1ubx n GLN 129 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1ubx s LEU 130 N 0.00 4.44 0.45 2.61 2.96 -1.26 0.90 118.68 128.77 1ubx s LEU 130 Ca 0.20 1.92 -0.20 0.00 -0.22 0.00 0.00 54.13 55.83 1ubx s LEU 130 Cb 0.01 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.97 1ubx s LEU 130 CO 0.14 -0.26 0.15 0.00 -1.32 0.00 0.00 176.35 175.06 1ubx h TRP 132 N 0.30 0.68 -0.28 0.00 2.91 -1.94 -2.21 115.95 115.40 1ubx h TRP 132 Ca -0.39 -0.15 0.08 0.00 1.13 0.00 0.00 58.89 59.56 1ubx h TRP 132 Cb 1.43 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.91 1ubx h TRP 132 CO 0.29 0.79 0.27 0.10 -1.03 0.00 0.00 178.44 178.85 1ubx h TYR 133 N 0.37 0.00 -0.02 2.65 -0.00 -1.89 -0.99 116.97 117.08 1ubx h TYR 133 Ca 0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.62 1ubx h TYR 133 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.29 1ubx h TYR 133 CO 0.05 0.00 -0.79 0.87 -0.00 0.00 0.00 178.16 178.29 1ubx h LYS 134 N 0.00 0.24 -6.07 0.10 1.79 -1.68 0.23 116.57 111.18 1ubx h LYS 134 Ca 0.13 -0.22 -0.67 0.00 -2.18 0.00 0.00 60.65 57.71 1ubx h LYS 134 Cb 0.67 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1ubx h LYS 134 CO -0.00 0.91 1.27 1.17 -1.08 0.00 0.00 179.45 181.73 1ubx n LYS 135 N -3.74 1.35 -0.84 3.15 4.81 -0.38 -4.82 118.16 117.70 1ubx n LYS 135 Ca -0.03 0.43 -0.27 0.00 -0.87 0.00 0.00 58.31 57.56 1ubx n LYS 135 Cb 0.75 -2.48 0.01 0.00 0.02 0.00 0.00 35.03 33.33 1ubx n LYS 135 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1ubx n GLU 136 N 7.46 0.00 0.00 1.64 0.00 -1.26 -2.44 120.64 126.04 1ubx n GLU 136 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.51 1ubx n GLU 136 Cb 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 31.44 30.97 1ubx n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ubx n GLY 137 N 1.94 2.96 0.00 -1.84 0.00 -1.26 -4.73 105.19 102.26 1ubx n GLY 137 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ubx n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ubx n VAL 138 N -0.87 0.00 0.00 1.61 0.31 -1.02 -4.99 118.33 113.36 1ubx n VAL 138 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ubx n VAL 138 Cb 0.00 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1ubx n VAL 138 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubx n GLY 139 N 2.72 2.74 0.27 2.92 0.00 0.82 -3.13 105.19 111.53 1ubx n GLY 139 Ca 0.00 -0.25 0.16 0.00 0.00 0.00 0.00 46.02 45.93 1ubx n GLY 139 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubx h LEU 140 N 0.00 0.00 -1.69 0.99 4.07 -1.95 -3.14 115.31 113.58 1ubx h LEU 140 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ubx h LEU 140 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ubx h LEU 140 CO 0.00 0.01 0.24 0.44 -1.08 0.00 0.00 178.44 178.05 1ubx h ASP 141 N 0.00 0.00 0.34 -0.43 5.19 -1.93 -0.57 116.42 119.03 1ubx h ASP 141 Ca -0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1ubx h ASP 141 Cb 0.61 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.12 1ubx h ASP 141 CO 0.00 0.00 -0.13 0.00 -3.12 0.00 0.00 179.24 175.99 1ubx h ALA 142 N 1.45 1.33 -0.66 3.45 0.00 -1.77 -2.68 119.26 120.39 1ubx h ALA 142 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ubx h ALA 142 Cb 0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1ubx h ALA 142 CO 0.00 0.16 0.31 0.82 0.00 0.00 0.00 179.25 180.53 1ubx h ILE 143 N 0.00 0.84 -0.08 0.00 2.04 -1.38 1.04 117.51 119.97 1ubx h ILE 143 Ca -0.00 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 1ubx h ILE 143 Cb 0.33 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1ubx h ILE 143 CO 0.02 0.10 -0.39 -1.13 0.00 0.00 0.00 178.15 176.74 1ubx h ASN 144 N 0.54 0.17 0.44 1.72 -1.24 -1.72 -2.13 115.58 113.36 1ubx h ASN 144 Ca 0.32 -0.07 -0.09 0.00 0.71 0.00 0.00 56.30 57.18 1ubx h ASN 144 Cb 0.34 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 1ubx h ASN 144 CO -0.27 0.56 -0.43 0.44 -1.29 0.00 0.00 177.43 176.44 1ubx h ASP 145 N 0.14 0.00 -0.42 1.15 3.32 0.12 -1.96 116.42 118.78 1ubx h ASP 145 Ca 0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1ubx h ASP 145 Cb 0.76 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1ubx h ASP 145 CO 0.06 0.43 -0.24 -1.28 -1.72 0.00 0.00 179.24 176.48 1ubx h SER 146 N 0.00 0.96 0.04 6.45 0.87 0.38 -2.21 113.55 120.04 1ubx h SER 146 Ca -0.00 -0.37 -0.07 0.00 -1.23 0.00 0.00 61.79 60.12 1ubx h SER 146 Cb 0.76 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1ubx h SER 146 CO 0.06 1.15 -0.19 -0.26 -0.53 0.00 0.00 176.83 177.05 1ubx h PHE 147 N 0.80 0.30 0.00 2.24 0.04 -0.87 -2.62 116.94 116.82 1ubx h PHE 147 Ca 0.10 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1ubx h PHE 147 Cb 0.81 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 1ubx h PHE 147 CO 0.05 0.46 -0.39 -0.07 -0.60 0.00 0.00 178.31 177.76 1ubx h LEU 148 N 0.26 0.00 -0.22 1.54 3.38 -1.12 -2.44 115.31 116.71 1ubx h LEU 148 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1ubx h LEU 148 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ubx h LEU 148 CO 0.03 0.05 -0.47 -0.07 0.09 0.00 0.00 178.44 178.08 1ubx h LEU 149 N 0.00 0.79 -0.18 1.67 3.38 -1.20 -1.65 115.31 118.12 1ubx h LEU 149 Ca -0.01 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.46 1ubx h LEU 149 Cb 1.05 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1ubx h LEU 149 CO 0.01 1.20 -0.27 -0.08 0.09 0.00 0.00 178.44 179.38 1ubx h GLU 150 N 0.41 -0.30 -0.76 1.13 4.81 -1.28 0.70 114.58 119.29 1ubx h GLU 150 Ca 0.00 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1ubx h GLU 150 Cb 1.08 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 1ubx h GLU 150 CO 0.10 -0.20 0.40 0.77 -0.73 0.00 0.00 179.01 179.35 1ubx h SER 151 N -0.32 0.54 -1.14 1.04 0.02 -1.48 -1.85 113.55 110.37 1ubx h SER 151 Ca 0.11 0.06 0.33 0.00 -0.84 0.00 0.00 61.79 61.45 1ubx h SER 151 Cb 0.49 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1ubx h SER 151 CO -0.36 0.30 0.82 0.28 -1.14 0.00 0.00 176.83 176.73 1ubx h SER 152 N 0.66 0.00 -0.41 3.07 0.02 0.14 0.23 113.55 117.27 1ubx h SER 152 Ca 0.38 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.26 1ubx h SER 152 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1ubx h SER 152 CO -0.27 0.00 -0.03 0.58 -1.14 0.00 0.00 176.83 175.97 1ubx h VAL 153 N 0.00 1.27 -0.00 2.27 2.07 -1.10 -0.79 116.25 119.96 1ubx h VAL 153 Ca 0.54 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ubx h VAL 153 Cb 2.17 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1ubx h VAL 153 CO -0.01 0.36 -0.07 -1.22 0.02 0.00 0.00 177.57 176.65 1ubx n TYR 154 N -4.40 0.00 0.07 1.57 4.01 -0.03 -2.72 117.16 115.65 1ubx n TYR 154 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.70 1ubx n TYR 154 Cb 0.31 -0.31 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 1ubx n TYR 154 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ubx h ARG 155 N 0.16 0.00 0.06 -0.72 3.08 -0.13 -2.78 114.38 114.04 1ubx h ARG 155 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1ubx h ARG 155 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1ubx h ARG 155 CO 0.00 0.66 -0.73 0.28 -1.07 0.00 0.00 179.97 179.12 1ubx h VAL 156 N 0.00 1.42 -0.32 2.04 2.07 -1.31 -2.80 116.25 117.35 1ubx h VAL 156 Ca -0.07 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.07 1ubx h VAL 156 Cb 1.66 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 34.43 1ubx h VAL 156 CO 0.09 0.61 0.21 -0.07 0.02 0.00 0.00 177.57 178.43 1ubx h LEU 157 N -0.67 0.33 -0.26 2.57 3.38 -1.64 -0.71 115.31 118.31 1ubx h LEU 157 Ca -0.16 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.60 1ubx h LEU 157 Cb 1.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1ubx h LEU 157 CO 0.02 0.24 -0.69 0.50 0.09 0.00 0.00 178.44 178.60 1ubx h LYS 158 N 0.39 0.76 -0.58 1.13 3.64 -1.53 0.43 116.57 120.81 1ubx h LYS 158 Ca 0.12 -0.57 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 1ubx h LYS 158 Cb 0.01 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1ubx h LYS 158 CO -0.03 1.19 0.00 -0.22 -2.27 0.00 0.00 179.45 178.12 1ubx h LYS 159 N 0.55 1.03 0.00 1.90 3.64 -1.14 -2.92 116.57 119.62 1ubx h LYS 159 Ca -0.03 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1ubx h LYS 159 Cb 1.30 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1ubx h LYS 159 CO 0.14 1.01 -1.62 0.66 -2.27 0.00 0.00 179.45 177.37 1ubx n TYR 160 N -4.22 0.51 0.00 1.91 4.01 -0.32 -4.68 117.16 114.37 1ubx n TYR 160 Ca 0.02 0.16 0.02 0.00 -0.16 0.00 0.00 57.90 57.94 1ubx n TYR 160 Cb 0.34 -0.83 -0.03 0.00 -0.31 0.00 0.00 39.34 38.51 1ubx n TYR 160 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ubx n ARG 162 N -1.60 -0.01 -2.63 0.00 0.63 -1.10 -0.42 116.66 111.52 1ubx n ARG 162 Ca -0.01 0.77 -0.35 0.00 -0.92 0.00 0.00 57.85 57.35 1ubx n ARG 162 Cb 0.09 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1ubx n ARG 162 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ubx n GLN 163 N -3.66 4.15 -3.84 -0.14 10.64 -1.26 -4.90 117.38 118.37 1ubx n GLN 163 Ca 0.28 -4.56 -0.12 0.00 -1.83 0.00 0.00 57.00 50.76 1ubx n GLN 163 Cb 1.18 -2.34 -0.13 0.00 -0.86 0.00 0.00 30.24 28.08 1ubx n GLN 163 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1ubx s ARG 164 N -3.94 0.14 0.48 2.61 1.81 0.44 -5.03 118.95 115.46 1ubx s ARG 164 Ca 0.45 0.14 0.31 0.00 -1.72 0.00 0.00 55.73 54.91 1ubx s ARG 164 Cb 0.28 0.07 1.41 0.00 -0.45 0.00 0.00 34.95 36.25 1ubx s ARG 164 CO -0.18 -0.02 1.75 -1.00 -0.68 0.00 0.00 175.30 175.18 1ubx h PRO 165 N 5.93 0.13 -0.04 3.54 0.13 -1.92 -2.33 132.00 137.44 1ubx h PRO 165 Ca -0.25 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1ubx h PRO 165 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ubx h PRO 165 CO 0.44 0.09 0.00 2.48 -0.23 0.00 0.00 178.00 180.78 1ubx n TYR 166 N -4.37 0.03 0.00 1.56 0.18 -1.26 -4.60 117.16 108.69 1ubx n TYR 166 Ca 0.28 -0.01 0.00 0.00 1.88 0.00 0.00 57.90 60.05 1ubx n TYR 166 Cb 1.21 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 40.17 1ubx n TYR 166 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1ubx n TYR 167 N 0.26 0.00 -0.33 -3.48 9.36 -0.88 -1.04 117.16 121.05 1ubx n TYR 167 Ca 0.18 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.63 1ubx n TYR 167 Cb 0.37 -0.09 0.42 0.00 -0.63 0.00 0.00 39.34 39.41 1ubx n TYR 167 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ubx h VAL 168 N 0.00 0.05 -0.61 2.97 2.07 -1.85 0.14 116.25 119.01 1ubx h VAL 168 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1ubx h VAL 168 Cb 0.00 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 1ubx h VAL 168 CO 0.00 0.01 0.38 0.45 0.02 0.00 0.00 177.57 178.43 1ubx h HIS 169 N 0.04 0.79 0.27 1.57 3.86 -1.38 0.22 115.15 120.52 1ubx h HIS 169 Ca 0.71 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.91 1ubx h HIS 169 Cb 1.66 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.87 1ubx h HIS 169 CO -0.26 0.52 -0.13 -0.07 0.86 0.00 0.00 177.93 178.86 1ubx h LEU 170 N 0.83 -0.31 -0.63 2.43 3.38 0.15 0.70 115.31 121.87 1ubx h LEU 170 Ca 0.22 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1ubx h LEU 170 Cb -0.05 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.66 1ubx h LEU 170 CO -0.04 -0.09 -0.12 0.25 0.09 0.00 0.00 178.44 178.52 1ubx h LEU 171 N -0.52 -0.52 -0.96 1.67 5.85 -0.82 -0.34 115.31 119.67 1ubx h LEU 171 Ca -0.04 0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1ubx h LEU 171 Cb 0.39 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1ubx h LEU 171 CO 0.06 -0.19 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.64 1ubx h GLU 172 N 0.02 0.76 0.71 1.25 5.08 -0.30 -1.62 114.58 120.48 1ubx h GLU 172 Ca 0.31 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ubx h GLU 172 Cb 0.48 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1ubx h GLU 172 CO -0.62 0.77 -0.34 1.25 -1.00 0.00 0.00 179.01 179.06 1ubx h LEU 173 N 0.71 -0.81 -0.60 1.33 5.85 0.86 -1.26 115.31 121.39 1ubx h LEU 173 Ca 0.14 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.01 1ubx h LEU 173 Cb 0.44 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.56 1ubx h LEU 173 CO 0.02 -0.45 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.25 1ubx h PHE 174 N -1.22 -0.35 -0.61 1.25 -1.00 -1.32 0.85 116.94 114.54 1ubx h PHE 174 Ca -0.10 0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 1ubx h PHE 174 Cb 0.73 0.25 -0.03 0.00 3.61 0.00 0.00 35.95 40.51 1ubx h PHE 174 CO 0.01 -0.27 0.30 -0.07 -1.61 0.00 0.00 178.31 176.67 1ubx h LEU 175 N -0.01 0.77 0.02 1.54 4.07 -1.32 -1.59 115.31 118.78 1ubx h LEU 175 Ca 0.29 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 1ubx h LEU 175 Cb 0.45 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1ubx h LEU 175 CO -0.62 0.65 -0.01 -0.61 -1.08 0.00 0.00 178.44 176.77 1ubx h GLN 176 N 0.86 -0.02 -0.39 1.13 5.75 0.18 -2.39 115.11 120.24 1ubx h GLN 176 Ca 0.21 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.79 1ubx h GLN 176 Cb 0.08 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1ubx h GLN 176 CO -0.03 0.51 0.27 1.79 -2.65 0.00 0.00 178.83 178.72 1ubx h THR 177 N -0.57 0.90 -0.08 2.39 1.35 -0.28 0.21 112.91 116.83 1ubx h THR 177 Ca -0.00 -0.06 -0.10 0.00 -0.55 0.00 0.00 66.41 65.70 1ubx h THR 177 Cb 0.54 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1ubx h THR 177 CO 0.00 0.03 -0.39 0.00 -0.25 0.00 0.00 175.52 174.91 1ubx h ALA 178 N 1.80 1.19 0.18 6.62 0.00 -0.77 -1.73 119.26 126.56 1ubx h ALA 178 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ubx h ALA 178 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ubx h ALA 178 CO -0.03 0.56 -0.09 -0.92 0.00 0.00 0.00 179.25 178.77 1ubx h TYR 179 N 0.14 -0.23 -0.52 0.00 3.20 -0.90 0.63 116.97 119.30 1ubx h TYR 179 Ca 0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1ubx h TYR 179 Cb 0.76 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1ubx h TYR 179 CO 0.01 0.10 0.30 1.96 -1.64 0.00 0.00 178.16 178.89 1ubx h GLN 180 N -0.57 0.70 -0.07 1.82 4.20 -1.34 -2.45 115.11 117.40 1ubx h GLN 180 Ca -0.02 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1ubx h GLN 180 Cb 0.43 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1ubx h GLN 180 CO 0.04 0.50 -0.34 1.79 -0.67 0.00 0.00 178.83 180.15 1ubx h THR 181 N 0.71 1.42 -0.90 -0.54 1.35 -0.94 -1.81 112.91 112.19 1ubx h THR 181 Ca 0.19 -1.74 0.24 0.00 -0.55 0.00 0.00 66.41 64.54 1ubx h THR 181 Cb -0.01 2.32 -0.05 0.00 -1.73 0.00 0.00 68.15 68.68 1ubx h THR 181 CO -0.03 0.50 0.62 -0.33 -0.25 0.00 0.00 175.52 176.03 1ubx h GLU 182 N -0.13 0.15 0.24 4.72 5.08 0.25 0.02 114.58 124.91 1ubx h GLU 182 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1ubx h GLU 182 Cb 0.99 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1ubx h GLU 182 CO 0.07 0.10 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.00 1ubx h LEU 183 N 0.15 -0.27 -0.87 1.33 3.38 -1.15 0.26 115.31 118.15 1ubx h LEU 183 Ca 0.45 -0.26 0.20 0.00 0.09 0.00 0.00 57.88 58.35 1ubx h LEU 183 Cb 1.51 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 42.21 1ubx h LEU 183 CO -0.08 0.21 0.38 1.23 0.09 0.00 0.00 178.44 180.27 1ubx h GLY 184 N -0.86 1.45 0.84 0.83 0.00 -0.45 0.46 103.07 105.33 1ubx h GLY 184 Ca -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1ubx h GLY 184 CO 0.05 -0.21 0.03 -1.61 0.00 0.00 0.00 176.54 174.81 1ubx h GLN 185 N 0.44 0.16 -0.01 4.80 5.75 -0.67 0.80 115.11 126.39 1ubx h GLN 185 Ca 0.52 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 1ubx h GLN 185 Cb 0.93 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.46 1ubx h GLN 185 CO -0.49 0.31 0.01 1.98 -2.65 0.00 0.00 178.83 177.99 1ubx h MET 186 N -0.01 0.00 0.05 1.69 1.85 0.16 -0.01 114.93 118.65 1ubx h MET 186 Ca 0.03 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1ubx h MET 186 Cb 0.22 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.25 1ubx h MET 186 CO -0.00 0.00 -0.02 -0.07 -0.40 0.00 0.00 176.91 176.42 1ubx h LEU 187 N 0.00 -0.05 -0.81 3.39 3.38 0.51 -3.27 115.31 118.46 1ubx h LEU 187 Ca 0.00 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.43 1ubx h LEU 187 Cb 0.03 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 1ubx h LEU 187 CO -0.00 0.67 -0.48 -0.67 0.09 0.00 0.00 178.44 178.06 1ubx n ASP 188 N -4.76 -0.85 -0.33 -0.43 2.03 -0.09 -0.96 116.55 111.15 1ubx n ASP 188 Ca -0.08 1.60 0.21 0.00 0.52 0.00 0.00 54.79 57.04 1ubx n ASP 188 Cb 0.33 -0.27 0.40 0.00 -0.72 0.00 0.00 41.12 40.86 1ubx n ASP 188 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ubx h LEU 189 N 0.00 -0.16 0.09 -2.67 4.07 -1.43 1.03 115.31 116.23 1ubx h LEU 189 Ca 0.13 0.27 -0.00 0.00 0.08 0.00 0.00 57.88 58.36 1ubx h LEU 189 Cb 0.33 0.40 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1ubx h LEU 189 CO -0.76 -0.38 -0.04 0.40 -1.08 0.00 0.00 178.44 176.58 1ubx h ILE 190 N 0.01 0.68 -0.70 1.22 2.04 -1.10 -3.36 117.51 116.31 1ubx h ILE 190 Ca 0.69 -1.33 0.07 0.00 1.00 0.00 0.00 64.86 65.30 1ubx h ILE 190 Cb 1.61 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 1ubx h ILE 190 CO -0.86 0.21 0.37 0.00 0.00 0.00 0.00 178.15 177.87 1ubx h THR 191 N -0.97 0.92 -3.10 -0.27 1.03 0.15 -3.36 112.91 107.30 1ubx h THR 191 Ca -0.01 -0.23 -0.76 0.00 -0.01 0.00 0.00 66.41 65.40 1ubx h THR 191 Cb 0.44 0.20 -0.24 0.00 -1.07 0.00 0.00 68.15 67.47 1ubx h THR 191 CO 0.02 0.12 -0.22 0.00 -0.01 0.00 0.00 175.52 175.43 1ubx s ALA 192 N -6.08 3.64 -0.11 0.00 0.00 0.29 -4.92 121.76 114.59 1ubx s ALA 192 Ca -0.13 -2.53 -0.09 0.00 0.00 0.00 0.00 51.96 49.21 1ubx s ALA 192 Cb 0.17 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1ubx s ALA 192 CO 0.76 -2.01 0.28 -1.25 0.00 0.00 0.00 175.76 173.54 1ubx s PRO 193 N 1.60 0.30 -0.15 0.00 0.04 -1.26 -4.72 135.00 130.80 1ubx s PRO 193 Ca 0.03 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.56 1ubx s PRO 193 Cb -0.30 0.09 0.37 0.00 0.04 0.00 0.00 34.50 34.70 1ubx s PRO 193 CO 0.03 -0.07 1.23 1.33 0.04 0.00 0.00 177.00 179.55 1ubx n VAL 194 N 3.28 1.60 0.01 -0.36 0.24 -1.26 -1.72 118.33 120.11 1ubx n VAL 194 Ca -0.16 -0.76 -0.11 0.00 -2.04 0.00 0.00 64.34 61.27 1ubx n VAL 194 Cb 0.57 -0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 32.34 1ubx n VAL 194 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1ubx h SER 195 N 1.42 -0.11 -0.07 -1.34 4.64 -2.01 -3.30 113.55 112.78 1ubx h SER 195 Ca 0.11 -0.48 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ubx h SER 195 Cb 1.46 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1ubx h SER 195 CO 0.34 0.53 -0.02 1.17 -0.87 0.00 0.00 176.83 177.99 1ubx n LYS 196 N -4.83 1.68 0.00 4.77 3.00 -1.26 -5.00 118.16 116.52 1ubx n LYS 196 Ca -0.08 -2.67 0.00 0.00 -0.00 0.00 0.00 58.31 55.56 1ubx n LYS 196 Cb 0.29 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1ubx n LYS 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1ubx n VAL 197 N -1.21 0.00 -1.44 3.15 0.31 -0.70 -4.74 118.33 113.70 1ubx n VAL 197 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1ubx n VAL 197 Cb 0.71 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 1ubx n VAL 197 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ubx n ASP 198 N 0.00 -5.64 -0.27 4.52 8.00 -1.26 -4.32 116.55 117.59 1ubx n ASP 198 Ca 0.00 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.40 1ubx n ASP 198 Cb 0.00 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.24 1ubx n ASP 198 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ubx n LEU 199 N -1.20 0.04 0.00 0.64 4.32 -1.26 -4.75 117.00 114.78 1ubx n LEU 199 Ca 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 56.01 55.41 1ubx n LEU 199 Cb 0.06 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1ubx n LEU 199 CO 0.00 0.14 0.06 -1.54 -1.22 0.00 0.00 177.39 174.83 1ubx n SER 200 N -0.02 0.00 -1.84 -1.43 3.41 -1.26 -3.96 113.62 108.52 1ubx n SER 200 Ca 0.00 0.46 -0.09 0.00 -0.26 0.00 0.00 58.87 58.98 1ubx n SER 200 Cb 0.61 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 1ubx n SER 200 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ubx n HIS 201 N -1.67 0.23 -3.41 7.33 8.25 -1.26 -4.33 115.22 120.37 1ubx n HIS 201 Ca 0.00 -1.38 -0.37 0.00 -0.26 0.00 0.00 57.72 55.71 1ubx n HIS 201 Cb 0.00 -1.12 -0.04 0.00 1.12 0.00 0.00 29.99 29.95 1ubx n HIS 201 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ubx n PHE 202 N 1.84 3.81 -3.73 4.41 3.01 -1.25 -4.91 117.46 120.63 1ubx n PHE 202 Ca 0.26 -3.74 -0.37 0.00 1.01 0.00 0.00 57.45 54.61 1ubx n PHE 202 Cb 0.71 -1.15 -0.06 0.00 -0.01 0.00 0.00 39.48 38.97 1ubx n PHE 202 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1ubx s SER 203 N -0.74 6.49 0.28 4.37 1.04 -1.26 -4.85 113.70 119.03 1ubx s SER 203 Ca 0.31 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.29 1ubx s SER 203 Cb -0.01 -2.13 0.58 0.00 0.10 0.00 0.00 66.02 64.55 1ubx s SER 203 CO -0.05 0.33 1.60 -0.08 0.98 0.00 0.00 173.24 176.03 1ubx h GLU 204 N 5.26 0.06 0.00 4.02 4.81 -1.97 4.88 114.58 131.64 1ubx h GLU 204 Ca -0.51 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1ubx h GLU 204 Cb 1.21 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1ubx h GLU 204 CO 0.63 0.04 -0.15 0.93 -0.73 0.00 0.00 179.01 179.72 1ubx h GLU 205 N 0.06 0.00 0.11 1.92 4.39 -1.97 0.15 114.58 119.23 1ubx h GLU 205 Ca 0.50 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 60.00 1ubx h GLU 205 Cb 0.94 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1ubx h GLU 205 CO -0.80 0.15 -0.93 -0.09 -1.16 0.00 0.00 179.01 176.18 1ubx h ARG 206 N 0.00 0.22 0.05 2.33 9.65 0.86 -2.81 114.38 124.69 1ubx h ARG 206 Ca -0.00 -0.38 0.01 0.00 -1.10 0.00 0.00 59.98 58.50 1ubx h ARG 206 Cb 0.56 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 1ubx h ARG 206 CO 0.02 1.18 -0.26 -0.92 2.80 0.00 0.00 179.97 182.79 1ubx h TYR 207 N -0.47 -0.77 0.00 2.20 3.20 0.30 0.75 116.97 122.18 1ubx h TYR 207 Ca -0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1ubx h TYR 207 Cb 1.58 0.33 0.00 0.00 1.54 0.00 0.00 36.73 40.17 1ubx h TYR 207 CO 0.18 -0.30 0.04 0.36 -1.64 0.00 0.00 178.16 176.80 1ubx n LYS 208 N -3.95 0.00 -0.03 1.82 2.85 0.39 0.15 118.16 119.39 1ubx n LYS 208 Ca -0.04 0.27 -0.11 0.00 -1.05 0.00 0.00 58.31 57.38 1ubx n LYS 208 Cb 0.20 -1.54 -0.14 0.00 -0.65 0.00 0.00 35.03 32.90 1ubx n LYS 208 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ubx n ALA 209 N -1.24 1.41 0.07 0.58 0.00 0.04 -2.04 120.51 119.33 1ubx n ALA 209 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.47 1ubx n ALA 209 Cb 0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1ubx n ALA 209 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ubx h ILE 210 N 0.01 1.00 -0.15 0.00 2.04 0.35 -1.48 117.51 119.28 1ubx h ILE 210 Ca -0.35 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1ubx h ILE 210 Cb 2.05 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 39.30 1ubx h ILE 210 CO 0.07 0.09 -0.46 0.58 0.00 0.00 0.00 178.15 178.42 1ubx h VAL 211 N -0.29 0.00 -0.92 1.67 2.07 -1.13 0.47 116.25 118.13 1ubx h VAL 211 Ca -0.01 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.72 1ubx h VAL 211 Cb 0.24 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.89 1ubx h VAL 211 CO 0.02 0.00 0.46 0.50 0.02 0.00 0.00 177.57 178.57 1ubx h LYS 212 N -0.47 0.49 0.04 1.57 3.64 -1.19 -2.16 116.57 118.49 1ubx h LYS 212 Ca 0.03 -0.03 -0.38 0.00 -1.27 0.00 0.00 60.65 59.00 1ubx h LYS 212 Cb 0.56 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1ubx h LYS 212 CO -0.39 0.32 -2.31 0.66 -2.27 0.00 0.00 179.45 175.46 1ubx n TYR 213 N -4.96 0.39 0.76 1.91 4.02 -0.58 -3.12 117.16 115.58 1ubx n TYR 213 Ca 0.22 0.09 0.13 0.00 -0.01 0.00 0.00 57.90 58.33 1ubx n TYR 213 Cb 0.63 -1.05 0.49 0.00 -0.02 0.00 0.00 39.34 39.39 1ubx n TYR 213 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1ubx n LYS 214 N -3.27 0.15 0.00 -0.72 4.81 0.16 -3.40 118.16 115.89 1ubx n LYS 214 Ca -0.40 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 1ubx n LYS 214 Cb 1.02 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 34.39 1ubx n LYS 214 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ubx n THR 215 N -1.95 0.00 -0.03 3.15 -2.24 -0.87 -4.86 114.28 107.48 1ubx n THR 215 Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1ubx n THR 215 Cb 0.38 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1ubx n THR 215 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubx h ALA 216 N 0.00 0.20 -0.27 6.98 0.00 -1.43 -1.27 119.26 123.46 1ubx h ALA 216 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ubx h ALA 216 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ubx h ALA 216 CO 0.00 -0.36 0.17 0.74 0.00 0.00 0.00 179.25 179.80 1ubx h PHE 217 N 0.17 0.35 0.00 0.00 0.04 -1.81 -0.67 116.94 115.02 1ubx h PHE 217 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1ubx h PHE 217 Cb 0.03 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1ubx h PHE 217 CO -0.10 0.25 -0.37 2.48 -0.60 0.00 0.00 178.31 179.97 1ubx n TYR 218 N -4.87 0.55 0.00 -0.55 4.11 -1.18 -1.56 117.16 113.65 1ubx n TYR 218 Ca -0.02 0.16 -0.18 0.00 -0.00 0.00 0.00 57.90 57.86 1ubx n TYR 218 Cb 0.04 -0.68 -0.14 0.00 -0.00 0.00 0.00 39.34 38.56 1ubx n TYR 218 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 1ubx h SER 219 N 0.00 0.31 0.00 9.48 0.02 -1.02 -3.40 113.55 118.93 1ubx h SER 219 Ca 0.00 -0.69 -0.15 0.00 -0.84 0.00 0.00 61.79 60.11 1ubx h SER 219 Cb 0.69 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1ubx h SER 219 CO 0.00 1.61 -1.53 0.49 -1.14 0.00 0.00 176.83 176.26 1ubx n PHE 220 N -3.36 0.00 0.18 3.45 3.72 -0.28 -4.84 117.46 116.33 1ubx n PHE 220 Ca -0.27 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.00 1ubx n PHE 220 Cb 1.05 -0.35 -0.07 0.00 -0.94 0.00 0.00 39.48 39.17 1ubx n PHE 220 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1ubx h TYR 221 N -0.19 -0.46 -0.70 1.38 3.20 -1.55 -3.16 116.97 115.49 1ubx h TYR 221 Ca -0.23 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 61.83 1ubx h TYR 221 Cb 1.26 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.66 1ubx h TYR 221 CO -0.01 -0.13 0.63 1.25 -1.64 0.00 0.00 178.16 178.26 1ubx h LEU 222 N -0.92 0.00 0.02 2.82 5.85 -1.50 0.14 115.31 121.72 1ubx h LEU 222 Ca -0.05 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.29 1ubx h LEU 222 Cb 0.54 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1ubx h LEU 222 CO 0.08 0.00 -2.15 -0.81 -0.34 0.00 0.00 178.44 175.22 1ubx n PRO 223 N -3.86 0.62 0.07 5.25 -0.05 -1.25 -2.55 135.00 133.25 1ubx n PRO 223 Ca 0.14 0.31 -0.13 0.00 -0.05 0.00 0.00 63.50 63.77 1ubx n PRO 223 Cb 0.89 -1.59 -0.07 0.00 -0.05 0.00 0.00 33.50 32.67 1ubx n PRO 223 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 1ubx h VAL 224 N -0.61 0.95 -1.10 0.52 2.07 -1.33 -1.71 116.25 115.04 1ubx h VAL 224 Ca -0.55 -0.10 0.30 0.00 0.82 0.00 0.00 66.70 67.17 1ubx h VAL 224 Cb 1.67 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 32.38 1ubx h VAL 224 CO -0.22 0.03 0.74 0.00 0.02 0.00 0.00 177.57 178.13 1ubx h ALA 225 N 0.76 2.56 0.00 1.67 0.00 -0.94 0.70 119.26 124.00 1ubx h ALA 225 Ca -0.01 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1ubx h ALA 225 Cb 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ubx h ALA 225 CO 0.02 -0.96 -0.68 0.00 0.00 0.00 0.00 179.25 177.64 1ubx h ALA 226 N 1.55 0.66 -0.33 0.00 0.00 -1.08 -3.02 119.26 117.05 1ubx h ALA 226 Ca 0.60 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ubx h ALA 226 Cb 1.83 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1ubx h ALA 226 CO -0.21 0.84 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1ubx h ALA 227 N 1.32 0.45 0.24 0.00 0.00 0.12 -2.94 119.26 118.45 1ubx h ALA 227 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ubx h ALA 227 Cb 1.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1ubx h ALA 227 CO 0.09 0.23 -0.23 0.52 0.00 0.00 0.00 179.25 179.85 1ubx h MET 228 N 0.39 -0.48 0.00 0.00 2.86 -1.22 -0.94 114.93 115.54 1ubx h MET 228 Ca 0.09 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1ubx h MET 228 Cb 0.48 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1ubx h MET 228 CO 0.02 -0.32 0.07 1.88 1.06 0.00 0.00 176.91 179.62 1ubx h TYR 229 N -0.50 0.00 0.00 -0.22 0.05 -1.56 -1.79 116.97 112.95 1ubx h TYR 229 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ubx h TYR 229 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1ubx h TYR 229 CO -0.16 0.00 -1.38 -1.33 -1.05 0.00 0.00 178.16 174.24 1ubx n MET 230 N -2.53 0.58 0.00 4.88 2.81 -0.39 -3.50 117.12 118.97 1ubx n MET 230 Ca -0.02 -0.02 0.12 0.00 -1.81 0.00 0.00 57.70 55.97 1ubx n MET 230 Cb 0.12 -1.68 0.24 0.00 -0.71 0.00 0.00 33.22 31.19 1ubx n MET 230 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1ubx n VAL 231 N -2.41 0.00 0.00 2.03 0.24 -0.72 -4.96 118.33 112.52 1ubx n VAL 231 Ca -0.01 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1ubx n VAL 231 Cb 0.54 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 1ubx n VAL 231 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ubx n GLY 232 N 1.43 2.32 3.55 7.63 0.00 -0.94 -5.04 105.19 114.14 1ubx n GLY 232 Ca 0.08 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 1ubx n GLY 232 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ubx n ILE 233 N 0.00 -0.02 -0.83 -0.61 5.41 -1.04 -4.58 119.36 117.69 1ubx n ILE 233 Ca 0.00 -0.54 0.08 0.00 1.00 0.00 0.00 62.75 63.29 1ubx n ILE 233 Cb 0.00 -1.90 0.17 0.00 -0.71 0.00 0.00 39.64 37.20 1ubx n ILE 233 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1ubx n ASP 234 N 16.64 2.95 -4.64 4.38 5.68 -1.26 -3.50 116.55 136.80 1ubx n ASP 234 Ca 0.48 -2.83 -0.42 0.00 -0.50 0.00 0.00 54.79 51.51 1ubx n ASP 234 Cb 0.41 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1ubx n ASP 234 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1ubx s SER 235 N -2.12 6.28 0.28 -1.12 0.15 -1.26 -4.93 113.70 110.97 1ubx s SER 235 Ca 0.31 2.13 0.00 0.00 0.70 0.00 0.00 55.95 59.09 1ubx s SER 235 Cb 0.26 -2.53 0.64 0.00 -1.71 0.00 0.00 66.02 62.68 1ubx s SER 235 CO 0.06 -1.26 1.68 0.50 1.20 0.00 0.00 173.24 175.41 1ubx h LYS 236 N 11.29 0.29 -0.14 5.44 3.11 -2.00 0.12 116.57 134.68 1ubx h LYS 236 Ca -0.41 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1ubx h LYS 236 Cb 1.20 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1ubx h LYS 236 CO 0.96 0.19 0.00 -1.91 -2.81 0.00 0.00 179.45 175.89 1ubx n GLU 237 N -5.14 1.78 0.04 1.90 4.07 -1.26 -1.97 120.64 120.06 1ubx n GLU 237 Ca 0.19 -1.17 -0.02 0.00 -0.06 0.00 0.00 57.16 56.10 1ubx n GLU 237 Cb 0.60 -1.43 -0.08 0.00 -0.06 0.00 0.00 31.44 30.48 1ubx n GLU 237 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1ubx h GLU 238 N 2.48 0.00 -0.03 5.31 4.57 -1.21 -2.12 114.58 123.58 1ubx h GLU 238 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1ubx h GLU 238 Cb 0.54 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1ubx h GLU 238 CO 0.00 0.42 -0.71 0.45 -1.18 0.00 0.00 179.01 177.99 1ubx h HIS 239 N 0.00 0.24 -0.34 0.92 3.86 -0.76 -1.89 115.15 117.19 1ubx h HIS 239 Ca -0.15 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 58.87 1ubx h HIS 239 Cb 1.66 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 30.08 1ubx h HIS 239 CO 0.00 0.83 -0.11 0.93 0.86 0.00 0.00 177.93 180.44 1ubx h GLU 240 N 0.12 0.58 0.00 2.45 3.07 -1.39 -1.08 114.58 118.33 1ubx h GLU 240 Ca -0.02 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1ubx h GLU 240 Cb 1.26 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ubx h GLU 240 CO 0.11 0.68 0.00 0.09 -1.40 0.00 0.00 179.01 178.49 1ubx n ASN 241 N -4.20 0.38 -0.07 1.42 3.02 -0.76 -1.88 115.26 113.18 1ubx n ASN 241 Ca 0.01 0.58 -0.07 0.00 -0.03 0.00 0.00 54.58 55.07 1ubx n ASN 241 Cb 0.33 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1ubx n ASN 241 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ubx h ALA 242 N 2.45 0.04 -1.00 5.41 0.00 -0.72 -3.33 119.26 122.11 1ubx h ALA 242 Ca 0.00 -0.55 0.36 0.00 0.00 0.00 0.00 54.91 54.71 1ubx h ALA 242 Cb 0.38 0.46 -0.16 0.00 0.00 0.00 0.00 17.79 18.47 1ubx h ALA 242 CO 0.00 0.45 0.56 -0.22 0.00 0.00 0.00 179.25 180.04 1ubx h LYS 243 N -1.00 0.21 0.06 0.00 3.64 -1.17 0.28 116.57 118.58 1ubx h LYS 243 Ca -0.06 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1ubx h LYS 243 Cb 0.59 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1ubx h LYS 243 CO -0.04 0.14 -0.24 0.00 -2.27 0.00 0.00 179.45 177.04 1ubx h ALA 244 N 1.90 -0.76 -0.20 5.00 0.00 -1.53 -1.73 119.26 121.94 1ubx h ALA 244 Ca 0.78 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.58 1ubx h ALA 244 Cb 1.88 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 20.31 1ubx h ALA 244 CO -0.66 -0.82 -0.07 -0.84 0.00 0.00 0.00 179.25 176.86 1ubx h ILE 245 N -0.34 1.30 -0.58 0.00 3.07 -0.63 -3.31 117.51 117.02 1ubx h ILE 245 Ca -0.00 -1.10 -0.09 0.00 1.55 0.00 0.00 64.86 65.22 1ubx h ILE 245 Cb 0.34 1.61 -0.02 0.00 -0.27 0.00 0.00 36.82 38.48 1ubx h ILE 245 CO -0.13 0.33 -0.01 -0.07 -1.05 0.00 0.00 178.15 177.23 1ubx h LEU 246 N 0.10 0.99 -2.01 0.16 3.38 -0.96 -2.89 115.31 114.08 1ubx h LEU 246 Ca 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1ubx h LEU 246 Cb 0.54 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ubx h LEU 246 CO 0.02 1.04 -0.03 -0.07 0.09 0.00 0.00 178.44 179.50 1ubx h LEU 247 N 0.93 0.00 0.51 1.67 3.38 -1.40 0.14 115.31 120.53 1ubx h LEU 247 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ubx h LEU 247 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ubx h LEU 247 CO 0.03 0.03 -0.24 -0.08 0.09 0.00 0.00 178.44 178.26 1ubx h GLU 248 N 0.00 -0.65 -0.53 1.13 4.81 -1.63 0.75 114.58 118.45 1ubx h GLU 248 Ca -0.00 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.43 1ubx h GLU 248 Cb 0.05 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1ubx h GLU 248 CO 0.00 -0.39 0.53 0.52 -0.73 0.00 0.00 179.01 178.95 1ubx h MET 249 N -0.79 0.00 0.13 1.92 2.86 -0.76 2.08 114.93 120.37 1ubx h MET 249 Ca -0.07 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.23 1ubx h MET 249 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1ubx h MET 249 CO 0.11 0.00 -1.79 0.78 1.06 0.00 0.00 176.91 177.08 1ubx h GLY 250 N 0.00 0.32 0.90 8.32 0.00 -0.99 -2.64 103.07 108.98 1ubx h GLY 250 Ca 0.25 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1ubx h GLY 250 CO -0.00 0.72 -0.49 -2.09 0.00 0.00 0.00 176.54 174.68 1ubx h GLU 251 N 0.08 -1.23 -0.88 4.80 4.81 0.58 -2.09 114.58 120.64 1ubx h GLU 251 Ca -0.34 0.08 0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1ubx h GLU 251 Cb 2.05 0.28 -0.11 0.00 0.63 0.00 0.00 28.75 31.60 1ubx h GLU 251 CO 0.13 -0.82 0.43 -0.92 -0.73 0.00 0.00 179.01 177.10 1ubx h TYR 252 N -1.28 0.73 -0.54 0.92 5.03 -1.20 0.25 116.97 120.89 1ubx h TYR 252 Ca -0.12 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.22 1ubx h TYR 252 Cb 1.00 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 39.06 1ubx h TYR 252 CO -0.05 0.08 0.32 0.35 -1.32 0.00 0.00 178.16 177.55 1ubx h PHE 253 N 0.53 0.70 0.23 -3.82 3.04 -1.07 0.25 116.94 116.80 1ubx h PHE 253 Ca 0.51 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 62.13 1ubx h PHE 253 Cb 0.85 -0.23 0.03 0.00 2.56 0.00 0.00 35.95 39.15 1ubx h PHE 253 CO -0.11 0.47 -1.52 0.37 -2.02 0.00 0.00 178.31 175.50 1ubx h GLN 254 N 0.74 0.49 -0.14 1.11 5.75 0.03 -0.85 115.11 122.25 1ubx h GLN 254 Ca 0.19 -0.84 0.05 0.00 -0.15 0.00 0.00 58.65 57.90 1ubx h GLN 254 Cb -0.02 0.31 -0.07 0.00 1.07 0.00 0.00 27.48 28.77 1ubx h GLN 254 CO -0.04 1.40 -0.39 0.82 -2.65 0.00 0.00 178.83 177.98 1ubx h ILE 255 N 0.13 0.19 -0.85 2.39 5.03 -0.48 0.69 117.51 124.62 1ubx h ILE 255 Ca -0.27 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.63 1ubx h ILE 255 Cb 2.14 0.19 -0.10 0.00 -3.03 0.00 0.00 36.82 36.03 1ubx h ILE 255 CO 0.25 0.00 0.42 -0.61 -0.68 0.00 0.00 178.15 177.53 1ubx h GLN 256 N -0.46 0.56 0.00 2.37 4.15 -0.47 2.61 115.11 123.88 1ubx h GLN 256 Ca 0.08 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1ubx h GLN 256 Cb 0.60 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 1ubx h GLN 256 CO -0.39 0.37 -0.11 0.22 -1.93 0.00 0.00 178.83 177.00 1ubx h ASP 257 N 0.58 0.00 -0.07 -0.69 3.58 -0.29 -1.48 116.42 118.05 1ubx h ASP 257 Ca 0.48 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.85 1ubx h ASP 257 Cb 0.72 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1ubx h ASP 257 CO -0.39 0.11 -0.19 0.44 -2.88 0.00 0.00 179.24 176.33 1ubx h ASP 258 N 0.00 0.44 0.00 2.28 3.32 0.69 -3.30 116.42 119.85 1ubx h ASP 258 Ca -0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1ubx h ASP 258 Cb 0.54 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ubx h ASP 258 CO 0.01 0.65 -0.12 0.22 -1.72 0.00 0.00 179.24 178.29 1ubx h TYR 259 N 0.41 0.00 0.00 4.55 5.03 -0.99 -3.27 116.97 122.70 1ubx h TYR 259 Ca 0.07 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1ubx h TYR 259 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1ubx h TYR 259 CO 0.02 0.62 0.00 1.28 -1.32 0.00 0.00 178.16 178.76 1ubx n LEU 260 N -4.66 0.01 -0.06 2.82 4.77 -0.84 -0.23 117.00 118.82 1ubx n LEU 260 Ca -0.08 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.84 1ubx n LEU 260 Cb 0.31 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1ubx n LEU 260 CO 0.19 0.00 -0.87 -0.67 -1.33 0.00 0.00 177.39 174.72 1ubx n ASP 261 N 0.35 2.47 0.00 -1.43 -0.08 -1.23 -4.67 116.55 111.96 1ubx n ASP 261 Ca 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1ubx n ASP 261 Cb 0.00 0.57 0.00 0.00 2.34 0.00 0.00 41.12 44.04 1ubx n ASP 261 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ubx n PHE 263 N -2.70 0.00 -3.56 0.00 3.01 0.69 -4.84 117.46 110.06 1ubx n PHE 263 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 1ubx n PHE 263 Cb 0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1ubx n PHE 263 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1ubx s GLY 264 N -1.50 -0.33 0.00 1.37 0.00 -1.26 -4.90 107.32 100.70 1ubx s GLY 264 Ca 0.11 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.41 1ubx s GLY 264 CO 0.08 0.65 0.00 1.34 0.00 0.00 0.00 173.10 175.17 1ubx n ASP 265 N 0.14 0.00 -4.51 1.64 -0.08 -1.26 -4.50 116.55 107.98 1ubx n ASP 265 Ca -0.06 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.88 1ubx n ASP 265 Cb 0.59 0.10 -0.17 0.00 2.34 0.00 0.00 41.12 43.99 1ubx n ASP 265 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ubx n PRO 266 N -2.03 0.09 -0.81 -0.67 -0.02 -1.26 -0.32 135.00 129.98 1ubx n PRO 266 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1ubx n PRO 266 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1ubx n PRO 266 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ubx n ALA 267 N 9.54 0.00 -1.66 3.55 0.00 -1.26 -4.98 120.51 125.70 1ubx n ALA 267 Ca 0.64 0.00 -0.62 0.00 0.00 0.00 0.00 53.44 53.46 1ubx n ALA 267 Cb 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 1ubx n ALA 267 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ubx n LEU 268 N 0.00 1.18 -4.95 0.00 -0.00 0.57 -4.97 117.00 108.82 1ubx n LEU 268 Ca 0.00 1.15 -0.20 0.00 -0.00 0.00 0.00 56.01 56.97 1ubx n LEU 268 Cb 0.00 -0.98 -0.01 0.00 -0.00 0.00 0.00 43.42 42.43 1ubx n LEU 268 CO 0.00 -1.05 0.01 0.28 -0.00 0.00 0.00 177.39 176.63 1ubx s THR 269 N 2.06 3.97 0.00 1.96 -1.32 -1.26 -4.43 115.64 116.63 1ubx s THR 269 Ca 0.98 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1ubx s THR 269 Cb -1.30 -3.36 0.00 0.00 -1.51 0.00 0.00 72.50 66.33 1ubx s THR 269 CO 0.68 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.53 1ubx n GLY 270 N -1.55 0.93 2.78 6.08 0.00 -1.26 -4.77 105.19 107.40 1ubx n GLY 270 Ca -0.01 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1ubx n GLY 270 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubx s LYS 271 N 0.00 0.87 -0.11 1.61 3.01 -1.26 -5.10 119.74 118.75 1ubx s LYS 271 Ca 0.00 -0.44 -0.16 0.00 -1.01 0.00 0.00 55.97 54.36 1ubx s LYS 271 Cb 0.00 -2.02 -0.05 0.00 -1.01 0.00 0.00 37.83 34.75 1ubx s LYS 271 CO 0.00 -0.57 0.40 0.54 0.51 0.00 0.00 175.35 176.24 1ubx s VAL 272 N 1.79 5.20 0.00 3.17 0.11 -1.26 -4.70 120.40 124.71 1ubx s VAL 272 Ca -0.01 0.80 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 1ubx s VAL 272 Cb -0.16 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 1ubx s VAL 272 CO -0.07 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 1ubx n GLY 273 N 3.06 -0.32 0.00 6.54 0.00 -1.26 -5.17 105.19 108.03 1ubx n GLY 273 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ubx n GLY 273 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ubx n THR 274 N 0.00 0.00 -4.33 2.61 5.66 -1.26 -4.79 114.28 112.17 1ubx n THR 274 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1ubx n THR 274 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 1ubx n THR 274 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ubx s ASP 275 N 0.00 1.67 0.00 1.09 1.11 -1.26 -4.92 116.67 114.36 1ubx s ASP 275 Ca 0.00 -1.65 0.00 0.00 0.18 0.00 0.00 52.55 51.08 1ubx s ASP 275 Cb 0.00 0.48 0.00 0.00 1.07 0.00 0.00 42.92 44.47 1ubx s ASP 275 CO 0.00 -0.97 0.00 -0.38 1.18 0.00 0.00 175.17 175.00 1ubx n ILE 276 N -0.62 0.00 -0.31 0.77 5.41 -1.26 -4.90 119.36 118.45 1ubx n ILE 276 Ca 0.03 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.93 1ubx n ILE 276 Cb 0.64 0.00 0.33 0.00 -0.71 0.00 0.00 39.64 39.90 1ubx n ILE 276 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1ubx h GLN 277 N 0.00 0.22 -5.81 0.38 -0.00 -1.83 0.14 115.11 108.21 1ubx h GLN 277 Ca 0.00 -0.01 -0.59 0.00 -0.00 0.00 0.00 58.65 58.04 1ubx h GLN 277 Cb 0.00 -0.05 -0.09 0.00 -0.00 0.00 0.00 27.48 27.34 1ubx h GLN 277 CO 0.00 0.15 0.48 -0.51 -0.00 0.00 0.00 178.83 178.95 1ubx s ASP 278 N -5.05 6.85 0.00 0.06 1.01 -1.26 -3.37 116.67 114.92 1ubx s ASP 278 Ca -0.12 1.06 0.00 0.00 0.71 0.00 0.00 52.55 54.20 1ubx s ASP 278 Cb 0.27 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1ubx s ASP 278 CO 0.78 -0.52 0.00 -3.20 0.21 0.00 0.00 175.17 172.44 1ubx n ASN 279 N 5.98 0.00 -4.70 0.27 5.15 -1.25 -4.54 115.26 116.17 1ubx n ASN 279 Ca 0.06 0.00 -0.64 0.00 -0.60 0.00 0.00 54.58 53.40 1ubx n ASN 279 Cb 0.47 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.64 1ubx n ASN 279 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ubx n LYS 280 N 0.68 0.31 -2.45 1.20 2.85 -1.26 -4.88 118.16 114.61 1ubx n LYS 280 Ca 0.00 0.11 -0.43 0.00 -1.05 0.00 0.00 58.31 56.94 1ubx n LYS 280 Cb 0.00 -1.66 -0.02 0.00 -0.65 0.00 0.00 35.03 32.70 1ubx n LYS 280 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ubx s SER 282 N 1.87 -0.33 0.35 0.00 0.15 -1.26 -5.03 113.70 109.44 1ubx s SER 282 Ca 0.54 0.62 0.14 0.00 0.70 0.00 0.00 55.95 57.96 1ubx s SER 282 Cb -0.21 0.65 1.13 0.00 -1.71 0.00 0.00 66.02 65.88 1ubx s SER 282 CO 0.15 -0.14 1.59 -0.25 1.20 0.00 0.00 173.24 175.79 1ubx h TRP 283 N 5.50 0.60 0.07 3.44 2.91 -1.92 -1.18 115.95 125.37 1ubx h TRP 283 Ca -0.27 0.05 0.01 0.00 1.13 0.00 0.00 58.89 59.82 1ubx h TRP 283 Cb 1.19 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.69 1ubx h TRP 283 CO 0.41 -0.41 -0.48 -0.07 -1.03 0.00 0.00 178.44 176.86 1ubx h LEU 284 N 0.06 -1.45 0.15 0.65 3.38 -1.94 0.38 115.31 116.53 1ubx h LEU 284 Ca 0.76 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.88 1ubx h LEU 284 Cb 1.86 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 43.15 1ubx h LEU 284 CO -0.78 -0.49 -0.15 0.58 0.09 0.00 0.00 178.44 177.69 1ubx h VAL 285 N -0.65 0.00 -0.68 1.22 2.07 -1.60 0.37 116.25 116.98 1ubx h VAL 285 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1ubx h VAL 285 Cb 0.67 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 1ubx h VAL 285 CO -0.28 0.00 -0.25 0.52 0.02 0.00 0.00 177.57 177.57 1ubx n VAL 286 N -3.25 -0.35 0.13 2.57 0.31 -1.00 0.41 118.33 117.15 1ubx n VAL 286 Ca -0.04 1.60 -0.13 0.00 -0.01 0.00 0.00 64.34 65.76 1ubx n VAL 286 Cb 0.14 -2.12 -0.06 0.00 -0.91 0.00 0.00 33.84 30.89 1ubx n VAL 286 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ubx h GLN 287 N 0.00 -0.53 -0.65 5.55 1.08 -0.06 -2.63 115.11 117.87 1ubx h GLN 287 Ca 0.25 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.62 1ubx h GLN 287 Cb 0.42 0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 27.85 1ubx h GLN 287 CO -0.68 -0.35 -0.07 0.00 -0.95 0.00 0.00 178.83 176.78 1ubx n LEU 289 N -5.36 0.57 -0.31 0.00 0.00 0.21 -0.80 117.00 111.31 1ubx n LEU 289 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 56.01 55.82 1ubx n LEU 289 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 43.57 1ubx n LEU 289 CO 0.07 0.13 0.17 0.00 0.00 0.00 0.00 177.39 177.75 1ubx n GLN 290 N 0.35 0.00 -1.55 1.96 10.64 -1.03 -4.64 117.38 123.11 1ubx n GLN 290 Ca 0.00 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1ubx n GLN 290 Cb 0.13 -0.05 0.08 0.00 -0.86 0.00 0.00 30.24 29.53 1ubx n GLN 290 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1ubx n ARG 291 N 0.00 1.21 -4.48 2.61 3.00 0.02 -5.05 116.66 113.97 1ubx n ARG 291 Ca 0.00 -2.91 -0.23 0.00 -0.01 0.00 0.00 57.85 54.70 1ubx n ARG 291 Cb 0.51 -1.03 -0.10 0.00 0.00 0.00 0.00 32.46 31.84 1ubx n ARG 291 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ubx s VAL 292 N -2.17 1.81 0.37 1.55 1.01 -1.13 -4.91 120.40 116.93 1ubx s VAL 292 Ca 0.36 -2.13 0.03 0.00 0.00 0.00 0.00 61.98 60.24 1ubx s VAL 292 Cb 0.37 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1ubx s VAL 292 CO -0.09 -0.22 0.10 0.42 0.00 0.00 0.00 175.10 175.31 1ubx s THR 293 N -2.89 0.79 0.64 3.92 -4.23 -1.26 -4.94 115.64 107.66 1ubx s THR 293 Ca 0.31 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.20 1ubx s THR 293 Cb 0.04 -2.51 0.40 0.00 1.34 0.00 0.00 72.50 71.78 1ubx s THR 293 CO 0.14 0.00 2.30 -0.65 -0.54 0.00 0.00 174.62 175.87 1ubx h PRO 294 N 1.93 0.00 0.15 3.99 0.11 -2.01 0.67 132.00 136.84 1ubx h PRO 294 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1ubx h PRO 294 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ubx h PRO 294 CO 0.61 0.00 -0.07 1.05 -0.21 0.00 0.00 178.00 179.38 1ubx h GLU 295 N 0.00 -0.20 -0.87 1.05 9.09 -2.01 -3.13 114.58 118.52 1ubx h GLU 295 Ca 0.01 0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.43 1ubx h GLU 295 Cb 0.07 0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 27.17 1ubx h GLU 295 CO -0.00 -0.13 0.57 1.96 0.05 0.00 0.00 179.01 181.45 1ubx h GLN 296 N -0.38 1.15 -1.37 1.06 7.50 -1.89 -2.46 115.11 118.72 1ubx h GLN 296 Ca -0.02 -0.08 0.45 0.00 0.50 0.00 0.00 58.65 59.50 1ubx h GLN 296 Cb 0.16 -0.26 -0.13 0.00 0.05 0.00 0.00 27.48 27.30 1ubx h GLN 296 CO 0.03 0.77 0.89 -0.09 -1.50 0.00 0.00 178.83 178.94 1ubx h ARG 297 N 1.18 0.06 0.00 1.46 9.65 0.28 4.01 114.38 131.02 1ubx h ARG 297 Ca 0.32 -0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.92 1ubx h ARG 297 Cb -0.12 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.40 1ubx h ARG 297 CO -0.07 0.04 -1.64 1.96 2.80 0.00 0.00 179.97 183.06 1ubx h GLN 298 N 0.06 0.00 0.04 0.20 4.20 -1.39 -1.63 115.11 116.60 1ubx h GLN 298 Ca 0.84 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.55 1ubx h GLN 298 Cb 2.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.47 1ubx h GLN 298 CO -0.40 0.48 -0.16 1.25 -0.67 0.00 0.00 178.83 179.33 1ubx h LEU 299 N 0.00 -0.47 -0.24 1.46 6.46 0.80 0.46 115.31 123.77 1ubx h LEU 299 Ca -0.26 0.05 -0.21 0.00 -0.12 0.00 0.00 57.88 57.34 1ubx h LEU 299 Cb 1.95 0.17 0.01 0.00 -0.73 0.00 0.00 40.66 42.06 1ubx h LEU 299 CO 0.08 -0.17 -0.68 0.17 -0.62 0.00 0.00 178.44 177.22 1ubx h LEU 300 N -0.23 0.93 0.00 2.25 -0.00 -0.91 0.25 115.31 117.60 1ubx h LEU 300 Ca -0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 1ubx h LEU 300 Cb 0.23 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1ubx h LEU 300 CO -0.08 1.35 0.00 -1.84 -0.00 0.00 0.00 178.44 177.87 1ubx n GLU 301 N -3.96 0.03 -0.06 0.17 0.28 -0.61 -1.06 120.64 115.44 1ubx n GLU 301 Ca -0.06 0.28 -0.05 0.00 -0.16 0.00 0.00 57.16 57.16 1ubx n GLU 301 Cb 0.70 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.05 1ubx n GLU 301 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ubx n ASP 302 N -1.30 1.27 0.00 -1.84 9.92 0.16 -4.61 116.55 120.14 1ubx n ASP 302 Ca 0.01 0.26 0.05 0.00 -0.53 0.00 0.00 54.79 54.59 1ubx n ASP 302 Cb 0.02 -0.67 0.32 0.00 -0.64 0.00 0.00 41.12 40.15 1ubx n ASP 302 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1ubx n ASN 303 N -3.80 0.00 -3.78 -2.24 4.13 -0.71 -4.85 115.26 104.02 1ubx n ASN 303 Ca -0.09 -1.22 -0.29 0.00 1.68 0.00 0.00 54.58 54.66 1ubx n ASN 303 Cb 0.32 0.00 0.22 0.00 -1.54 0.00 0.00 39.78 38.77 1ubx n ASN 303 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ubx n TYR 304 N -0.72 -3.97 -0.18 3.10 9.36 -0.22 -3.98 117.16 120.55 1ubx n TYR 304 Ca 0.08 -1.11 0.00 0.00 3.32 0.00 0.00 57.90 60.20 1ubx n TYR 304 Cb 0.04 -1.05 0.00 0.00 -0.63 0.00 0.00 39.34 37.70 1ubx n TYR 304 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ubx n GLY 305 N -3.94 0.00 3.12 2.98 0.00 0.48 -4.81 105.19 103.02 1ubx n GLY 305 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1ubx n GLY 305 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubx s ARG 306 N -0.37 1.99 -1.22 1.61 1.81 -1.17 -4.35 118.95 117.25 1ubx s ARG 306 Ca 0.00 -0.60 -0.12 0.00 -1.72 0.00 0.00 55.73 53.29 1ubx s ARG 306 Cb 0.00 -1.65 0.18 0.00 -0.45 0.00 0.00 34.95 33.04 1ubx s ARG 306 CO 0.00 0.17 1.53 0.36 -0.68 0.00 0.00 175.30 176.69 1ubx n LYS 307 N 3.40 3.50 -3.55 3.54 2.85 -1.26 -4.14 118.16 122.49 1ubx n LYS 307 Ca -0.20 -3.84 -0.26 0.00 -1.05 0.00 0.00 58.31 52.96 1ubx n LYS 307 Cb 0.53 -2.95 -0.15 0.00 -0.65 0.00 0.00 35.03 31.81 1ubx n LYS 307 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1ubx s GLU 308 N 0.83 0.15 0.03 -1.58 2.02 -1.26 -5.03 118.70 113.87 1ubx s GLU 308 Ca 0.41 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 55.15 1ubx s GLU 308 Cb 0.00 -1.38 0.10 0.00 0.10 0.00 0.00 34.13 32.96 1ubx s GLU 308 CO 0.00 -0.86 0.10 -0.35 0.02 0.00 0.00 175.26 174.18 1ubx n PRO 309 N 5.27 -0.00 0.00 0.39 -0.04 -1.26 -0.12 135.00 139.24 1ubx n PRO 309 Ca -0.06 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1ubx n PRO 309 Cb 0.46 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 1ubx n PRO 309 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ubx n GLU 310 N -2.68 0.00 0.00 0.54 4.71 -1.26 -2.46 120.64 119.49 1ubx n GLU 310 Ca 0.03 0.49 0.00 0.00 -0.01 0.00 0.00 57.16 57.67 1ubx n GLU 310 Cb 0.11 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 1ubx n GLU 310 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ubx n LYS 311 N -1.98 0.00 -0.35 3.49 5.02 0.83 0.55 118.16 125.72 1ubx n LYS 311 Ca 0.00 0.32 -0.04 0.00 -2.02 0.00 0.00 58.31 56.58 1ubx n LYS 311 Cb 0.00 -0.68 -0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1ubx n LYS 311 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ubx n VAL 312 N -0.77 -0.51 1.19 -0.18 0.31 -0.27 0.49 118.33 118.60 1ubx n VAL 312 Ca 0.00 2.10 0.07 0.00 -0.01 0.00 0.00 64.34 66.50 1ubx n VAL 312 Cb 0.00 -2.72 0.44 0.00 -0.91 0.00 0.00 33.84 30.65 1ubx n VAL 312 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ubx n ALA 313 N -3.47 2.18 -0.07 3.52 0.00 -0.30 -2.51 120.51 119.87 1ubx n ALA 313 Ca 0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1ubx n ALA 313 Cb 0.32 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 1ubx n ALA 313 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ubx n LYS 314 N -0.89 0.87 -0.03 0.00 3.00 1.83 -4.26 118.16 118.69 1ubx n LYS 314 Ca 0.11 0.06 -0.01 0.00 -0.00 0.00 0.00 58.31 58.47 1ubx n LYS 314 Cb 0.05 -1.29 0.28 0.00 0.00 0.00 0.00 35.03 34.07 1ubx n LYS 314 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1ubx h VAL 315 N 0.00 1.20 -0.08 3.15 -1.51 0.12 -2.23 116.25 116.90 1ubx h VAL 315 Ca -0.32 -0.79 0.04 0.00 -1.23 0.00 0.00 66.70 64.40 1ubx h VAL 315 Cb 1.55 0.89 -0.06 0.00 -2.13 0.00 0.00 31.29 31.54 1ubx h VAL 315 CO -0.03 0.28 -0.44 0.11 -1.23 0.00 0.00 177.57 176.26 1ubx h LYS 316 N 0.56 -0.52 -0.93 5.19 1.79 -1.71 -1.85 116.57 119.11 1ubx h LYS 316 Ca 0.12 0.04 0.18 0.00 -2.18 0.00 0.00 60.65 58.80 1ubx h LYS 316 Cb 0.32 0.12 -0.17 0.00 -1.58 0.00 0.00 32.23 30.92 1ubx h LYS 316 CO 0.01 -0.35 -0.27 1.49 -1.08 0.00 0.00 179.45 179.25 1ubx h GLU 317 N -0.54 -0.01 0.11 3.15 4.81 -1.59 1.05 114.58 121.57 1ubx h GLU 317 Ca 0.06 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1ubx h GLU 317 Cb 0.65 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1ubx h GLU 317 CO -0.38 -0.01 -0.14 1.25 -0.73 0.00 0.00 179.01 179.00 1ubx h LEU 318 N -0.01 -0.39 -1.37 1.64 5.85 -1.22 6.41 115.31 126.22 1ubx h LEU 318 Ca 0.42 0.04 0.27 0.00 0.84 0.00 0.00 57.88 59.45 1ubx h LEU 318 Cb 0.66 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 1ubx h LEU 318 CO -0.96 -0.22 0.67 1.88 -0.34 0.00 0.00 178.44 179.48 1ubx h TYR 319 N -0.30 0.65 0.12 1.25 0.05 0.19 3.99 116.97 122.92 1ubx h TYR 319 Ca 0.01 0.02 -0.28 0.00 0.05 0.00 0.00 58.73 58.53 1ubx h TYR 319 Cb 0.30 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 1ubx h TYR 319 CO -0.15 0.06 -1.34 0.93 -1.05 0.00 0.00 178.16 176.61 1ubx h GLU 320 N 0.39 0.24 0.00 4.88 4.39 -0.02 0.25 114.58 124.71 1ubx h GLU 320 Ca 0.59 -0.42 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1ubx h GLU 320 Cb 1.50 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.30 1ubx h GLU 320 CO -0.29 1.15 -0.26 0.00 -1.16 0.00 0.00 179.01 178.45 1ubx h ALA 321 N 0.58 1.02 0.00 3.43 0.00 3.70 -3.09 119.26 124.89 1ubx h ALA 321 Ca -0.17 -0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.15 1ubx h ALA 321 Cb 1.98 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 1ubx h ALA 321 CO 0.18 0.32 -2.26 0.28 0.00 0.00 0.00 179.25 177.78 1ubx n VAL 322 N -3.42 1.44 0.00 0.00 0.31 0.81 -5.00 118.33 112.46 1ubx n VAL 322 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 64.34 63.50 1ubx n VAL 322 Cb 0.45 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1ubx n VAL 322 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubx n GLY 323 N 1.74 0.78 0.11 2.92 0.00 0.64 -5.08 105.19 106.30 1ubx n GLY 323 Ca -0.30 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1ubx n GLY 323 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ubx h MET 324 N 0.00 0.28 0.00 1.61 2.86 -1.22 -2.94 114.93 115.52 1ubx h MET 324 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ubx h MET 324 Cb 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1ubx h MET 324 CO 0.00 0.31 0.00 0.54 1.06 0.00 0.00 176.91 178.82 1ubx n ARG 325 N -4.86 0.01 0.00 1.72 1.74 -1.26 -1.50 116.66 112.50 1ubx n ARG 325 Ca -0.04 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1ubx n ARG 325 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1ubx n ARG 325 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ubx n ALA 326 N -1.46 -0.28 -0.18 7.54 0.00 -1.11 -1.24 120.51 123.77 1ubx n ALA 326 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 1ubx n ALA 326 Cb 0.04 0.00 0.49 0.00 0.00 0.00 0.00 19.45 19.98 1ubx n ALA 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubx h ALA 327 N -2.00 2.07 -0.84 0.00 0.00 -1.56 2.78 119.26 119.72 1ubx h ALA 327 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ubx h ALA 327 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ubx h ALA 327 CO 0.00 -0.28 0.56 0.35 0.00 0.00 0.00 179.25 179.87 1ubx h PHE 328 N 0.46 1.05 0.02 0.00 3.57 -1.33 1.39 116.94 122.10 1ubx h PHE 328 Ca 0.38 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1ubx h PHE 328 Cb 0.83 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1ubx h PHE 328 CO -0.00 0.65 -0.01 1.96 -2.23 0.00 0.00 178.31 178.68 1ubx h GLN 329 N 1.12 -0.03 0.00 1.11 1.08 0.60 0.32 115.11 119.31 1ubx h GLN 329 Ca 0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1ubx h GLN 329 Cb -0.11 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1ubx h GLN 329 CO -0.07 0.55 0.00 1.04 -0.95 0.00 0.00 178.83 179.39 1ubx n GLN 330 N -4.82 0.45 0.00 1.46 3.00 0.21 0.13 117.38 117.80 1ubx n GLN 330 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1ubx n GLN 330 Cb 0.29 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.18 1ubx n GLN 330 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1ubx n TYR 331 N -0.85 0.00 -0.57 1.08 9.36 0.47 -3.92 117.16 122.73 1ubx n TYR 331 Ca 0.08 0.00 0.46 0.00 3.32 0.00 0.00 57.90 61.76 1ubx n TYR 331 Cb 0.04 0.00 0.74 0.00 -0.63 0.00 0.00 39.34 39.48 1ubx n TYR 331 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1ubx h GLU 332 N 0.00 0.00 -0.35 2.98 4.81 -0.29 1.22 114.58 122.95 1ubx h GLU 332 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1ubx h GLU 332 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1ubx h GLU 332 CO 0.00 0.00 0.05 1.05 -0.73 0.00 0.00 179.01 179.38 1ubx h GLU 333 N 0.00 0.58 -0.14 1.92 4.11 -0.50 -3.20 114.58 117.35 1ubx h GLU 333 Ca 0.81 -0.16 -0.14 0.00 0.07 0.00 0.00 59.36 59.95 1ubx h GLU 333 Cb 3.45 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 32.62 1ubx h GLU 333 CO -0.01 0.65 -0.50 0.66 0.07 0.00 0.00 179.01 179.88 1ubx h SER 334 N 0.41 0.41 0.41 3.06 4.64 0.14 -3.31 113.55 119.30 1ubx h SER 334 Ca 0.11 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1ubx h SER 334 Cb 0.36 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1ubx h SER 334 CO 0.01 0.84 -0.20 -1.28 -0.87 0.00 0.00 176.83 175.33 1ubx h SER 335 N 0.30 -0.47 -1.15 4.97 0.87 -1.36 -1.28 113.55 115.43 1ubx h SER 335 Ca 0.01 0.02 0.32 0.00 -1.23 0.00 0.00 61.79 60.91 1ubx h SER 335 Cb 0.99 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 63.00 1ubx h SER 335 CO 0.09 -0.14 0.80 0.22 -0.53 0.00 0.00 176.83 177.26 1ubx h TYR 336 N -0.95 0.24 0.00 2.24 3.20 -1.72 1.85 116.97 121.82 1ubx h TYR 336 Ca -0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1ubx h TYR 336 Cb 0.43 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1ubx h TYR 336 CO 0.02 0.01 0.00 -2.13 -1.64 0.00 0.00 178.16 174.42 1ubx n ARG 337 N -4.35 0.00 -0.33 1.82 3.00 -1.21 -1.87 116.66 113.72 1ubx n ARG 337 Ca 0.26 0.28 0.17 0.00 -0.00 0.00 0.00 57.85 58.57 1ubx n ARG 337 Cb 1.14 -1.24 0.34 0.00 0.00 0.00 0.00 32.46 32.70 1ubx n ARG 337 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1ubx h ARG 338 N 0.00 0.04 0.02 -0.14 2.43 0.19 0.12 114.38 117.04 1ubx h ARG 338 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ubx h ARG 338 Cb 0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1ubx h ARG 338 CO 0.00 0.03 -0.02 1.25 -1.51 0.00 0.00 179.97 179.72 1ubx h LEU 339 N 0.04 -0.06 -0.95 3.80 5.85 0.24 -1.86 115.31 122.38 1ubx h LEU 339 Ca 0.63 0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.53 1ubx h LEU 339 Cb 1.39 0.02 -0.16 0.00 0.37 0.00 0.00 40.66 42.28 1ubx h LEU 339 CO -0.85 -0.03 -0.31 0.00 -0.34 0.00 0.00 178.44 176.92 1ubx n GLN 340 N -2.43 -0.16 -0.13 1.25 1.13 0.38 -0.44 117.38 116.98 1ubx n GLN 340 Ca -0.00 1.46 -0.13 0.00 -1.94 0.00 0.00 57.00 56.39 1ubx n GLN 340 Cb 0.02 -2.18 -0.09 0.00 0.11 0.00 0.00 30.24 28.10 1ubx n GLN 340 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1ubx h GLU 341 N 0.00 -0.35 -1.75 -1.09 5.08 -1.18 2.38 114.58 117.67 1ubx h GLU 341 Ca 0.38 0.02 0.52 0.00 -1.00 0.00 0.00 59.36 59.29 1ubx h GLU 341 Cb 0.62 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1ubx h GLU 341 CO -0.95 -0.24 1.24 -0.07 -1.00 0.00 0.00 179.01 177.99 1ubx h LEU 342 N -0.37 0.04 0.06 1.33 4.07 0.07 0.74 115.31 121.26 1ubx h LEU 342 Ca 0.07 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ubx h LEU 342 Cb 0.55 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1ubx h LEU 342 CO -0.56 -0.03 -0.03 0.40 -1.08 0.00 0.00 178.44 177.13 1ubx h ILE 343 N 0.01 1.14 -0.14 1.22 2.04 0.48 -2.85 117.51 119.42 1ubx h ILE 343 Ca 0.87 -1.54 -0.36 0.00 1.00 0.00 0.00 64.86 64.83 1ubx h ILE 343 Cb 3.35 2.03 -0.06 0.00 -0.74 0.00 0.00 36.82 41.41 1ubx h ILE 343 CO -0.08 0.34 0.83 -1.84 0.00 0.00 0.00 178.15 177.40 1ubx n GLU 344 N -4.79 2.55 0.00 2.37 0.00 0.26 0.46 120.64 121.50 1ubx n GLU 344 Ca -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 57.16 55.58 1ubx n GLU 344 Cb 0.30 -2.23 0.00 0.00 0.00 0.00 0.00 31.44 29.51 1ubx n GLU 344 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ubx n LYS 345 N 2.59 0.00 0.00 3.44 4.81 -1.10 -4.88 118.16 123.02 1ubx n LYS 345 Ca 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1ubx n LYS 345 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 1ubx n LYS 345 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ubx n HIS 346 N 0.00 0.00 -1.11 5.64 8.25 -0.70 -4.85 115.22 122.45 1ubx n HIS 346 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1ubx n HIS 346 Cb 0.11 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.31 1ubx n HIS 346 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ubx n SER 347 N -0.30 6.44 -4.23 0.41 7.64 0.17 -4.77 113.62 118.99 1ubx n SER 347 Ca 0.00 -3.50 -0.43 0.00 1.01 0.00 0.00 58.87 55.95 1ubx n SER 347 Cb 0.00 -0.95 -0.05 0.00 -1.01 0.00 0.00 64.21 62.19 1ubx n SER 347 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ubx s ASN 348 N -1.12 6.10 0.00 6.43 2.20 -1.26 -4.04 114.94 123.25 1ubx s ASN 348 Ca 0.52 -2.67 0.00 0.00 -0.94 0.00 0.00 52.86 49.77 1ubx s ASN 348 Cb 0.42 -2.06 0.00 0.00 -2.00 0.00 0.00 41.25 37.60 1ubx s ASN 348 CO 0.02 -0.51 0.00 -1.14 -2.94 0.00 0.00 177.10 172.52 1ubx n ARG 349 N 3.89 0.00 -3.84 3.55 0.63 -1.26 -5.11 116.66 114.52 1ubx n ARG 349 Ca 0.09 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.82 1ubx n ARG 349 Cb 0.43 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.17 1ubx n ARG 349 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ubx s LEU 350 N 0.00 0.75 -0.43 6.15 1.43 -1.26 -5.10 118.68 120.22 1ubx s LEU 350 Ca 0.00 -0.04 -0.43 0.00 -1.03 0.00 0.00 54.13 52.62 1ubx s LEU 350 Cb 0.00 -0.33 -0.18 0.00 0.03 0.00 0.00 46.19 45.71 1ubx s LEU 350 CO 0.00 -0.16 1.82 -0.81 0.23 0.00 0.00 176.35 177.42 1ubx n PRO 351 N 4.78 0.40 0.30 1.29 -0.04 -1.26 -4.83 135.00 135.64 1ubx n PRO 351 Ca -0.14 0.14 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1ubx n PRO 351 Cb 0.50 -1.74 0.91 0.00 -0.04 0.00 0.00 33.50 33.13 1ubx n PRO 351 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ubx h LYS 352 N 7.16 0.00 -1.14 0.54 1.57 -1.99 -2.60 116.57 120.11 1ubx h LYS 352 Ca -0.35 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 58.76 1ubx h LYS 352 Cb 1.36 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.63 1ubx h LYS 352 CO 1.00 0.02 0.82 0.93 -0.57 0.00 0.00 179.45 181.65 1ubx h GLU 353 N 0.00 0.01 0.40 3.15 3.07 -1.99 -0.95 114.58 118.27 1ubx h GLU 353 Ca -0.00 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1ubx h GLU 353 Cb 0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1ubx h GLU 353 CO 0.00 0.00 -0.19 0.82 -1.40 0.00 0.00 179.01 178.24 1ubx h ILE 354 N 0.01 0.60 0.00 3.13 2.04 -1.84 -1.01 117.51 120.44 1ubx h ILE 354 Ca 0.54 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 66.18 1ubx h ILE 354 Cb 2.17 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1ubx h ILE 354 CO -0.01 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.67 1ubx n PHE 355 N -5.27 0.87 0.02 1.37 3.72 -0.46 -2.48 117.46 115.22 1ubx n PHE 355 Ca -0.11 0.29 -0.19 0.00 -0.05 0.00 0.00 57.45 57.39 1ubx n PHE 355 Cb 0.26 -0.97 -0.14 0.00 -0.94 0.00 0.00 39.48 37.69 1ubx n PHE 355 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1ubx h LEU 356 N 0.00 0.35 -0.93 4.37 4.07 -1.18 -2.34 115.31 119.64 1ubx h LEU 356 Ca 0.00 -0.95 0.14 0.00 0.08 0.00 0.00 57.88 57.15 1ubx h LEU 356 Cb 0.58 -0.11 -0.09 0.00 1.08 0.00 0.00 40.66 42.11 1ubx h LEU 356 CO 0.00 1.32 0.54 1.23 -1.08 0.00 0.00 178.44 180.45 1ubx h GLY 357 N -0.50 1.54 1.00 0.83 0.00 -0.86 0.54 103.07 105.62 1ubx h GLY 357 Ca -0.12 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1ubx h GLY 357 CO 0.11 0.04 -0.19 1.41 0.00 0.00 0.00 176.54 177.90 1ubx h LEU 358 N 0.79 0.81 0.00 3.11 4.07 -1.51 -3.11 115.31 119.47 1ubx h LEU 358 Ca 0.49 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1ubx h LEU 358 Cb 0.62 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1ubx h LEU 358 CO -0.32 1.04 0.00 0.00 -1.08 0.00 0.00 178.44 178.08 1ubx n ALA 359 N -2.48 -0.23 0.10 1.53 0.00 0.02 -0.33 120.51 119.12 1ubx n ALA 359 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ubx n ALA 359 Cb 0.42 0.18 0.02 0.00 0.00 0.00 0.00 19.45 20.07 1ubx n ALA 359 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ubx n GLN 360 N -2.00 0.01 0.00 0.00 0.00 0.17 0.29 117.38 115.85 1ubx n GLN 360 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 57.00 57.29 1ubx n GLN 360 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 30.24 28.09 1ubx n GLN 360 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ubx n LYS 361 N -1.47 0.74 -0.01 3.69 2.85 -0.79 -4.88 118.16 118.29 1ubx n LYS 361 Ca -0.00 -0.72 -0.01 0.00 -1.05 0.00 0.00 58.31 56.53 1ubx n LYS 361 Cb 0.62 -0.64 -0.01 0.00 -0.65 0.00 0.00 35.03 34.34 1ubx n LYS 361 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1ubx n ILE 362 N -0.13 0.12 -2.79 0.58 -0.00 0.15 -4.93 119.36 112.35 1ubx n ILE 362 Ca 0.00 -0.05 -0.43 0.00 -0.00 0.00 0.00 62.75 62.27 1ubx n ILE 362 Cb 0.40 -0.63 -0.03 0.00 -0.00 0.00 0.00 39.64 39.38 1ubx n ILE 362 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1ubx s TYR 363 N -2.04 2.79 0.00 1.39 1.51 -0.76 -4.80 117.35 115.44 1ubx s TYR 363 Ca -0.03 -0.93 0.00 0.00 -1.01 0.00 0.00 57.07 55.11 1ubx s TYR 363 Cb 0.01 -4.42 0.00 0.00 -0.11 0.00 0.00 41.96 37.44 1ubx s TYR 363 CO 0.05 -1.69 0.00 1.63 -1.11 0.00 0.00 175.55 174.43 1ubx n LYS 364 N 7.66 0.00 -1.44 -0.62 5.02 -1.26 -4.95 118.16 122.56 1ubx n LYS 364 Ca 0.17 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.65 1ubx n LYS 364 Cb 0.49 -0.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.93 1ubx n LYS 364 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1ubx n ARG 365 N -2.65 -3.05 -3.43 1.97 -4.01 -1.26 -4.96 116.66 99.27 1ubx n ARG 365 Ca 0.00 2.20 -0.28 0.00 -1.04 0.00 0.00 57.85 58.74 1ubx n ARG 365 Cb 0.35 -3.67 -0.11 0.00 -3.04 0.00 0.00 32.46 26.00 1ubx n ARG 365 CO 0.00 0.00 0.00 -1.14 -3.04 0.00 0.00 177.63 173.45 1ubx s GLN 366 N -2.97 0.86 0.00 2.89 0.74 -1.26 -5.18 119.66 114.74 1ubx s GLN 366 Ca 0.00 -1.93 0.00 0.00 0.05 0.00 0.00 55.36 53.48 1ubx s GLN 366 Cb 0.00 -1.46 0.00 0.00 1.10 0.00 0.00 33.01 32.65 1ubx s GLN 366 CO 0.00 -1.33 0.00 1.63 -0.55 0.00 0.00 175.29 175.04