#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubv h PRO 21 N 0.00 -0.52 -0.91 -1.46 0.13 -2.03 0.41 132.00 127.62 1ubv h PRO 21 Ca 0.00 0.04 0.25 0.00 -0.87 0.00 0.00 66.00 65.41 1ubv h PRO 21 Cb 0.00 0.12 -0.14 0.00 0.13 0.00 0.00 31.00 31.11 1ubv h PRO 21 CO 0.00 -0.35 0.33 0.28 -0.23 0.00 0.00 178.00 178.04 1ubv h VAL 22 N -0.54 0.34 0.00 1.56 2.07 -2.05 0.96 116.25 118.60 1ubv h VAL 22 Ca 0.04 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1ubv h VAL 22 Cb 0.65 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1ubv h VAL 22 CO -0.46 0.05 -0.31 0.58 0.02 0.00 0.00 177.57 177.45 1ubv h VAL 23 N 0.27 0.68 -0.71 2.57 2.07 -1.92 -2.91 116.25 116.30 1ubv h VAL 23 Ca 0.59 -1.59 0.16 0.00 0.82 0.00 0.00 66.70 66.67 1ubv h VAL 23 Cb 1.22 1.37 -0.11 0.00 -1.52 0.00 0.00 31.29 32.24 1ubv h VAL 23 CO -0.62 0.23 0.09 0.58 0.02 0.00 0.00 177.57 177.87 1ubv h VAL 24 N -1.00 0.47 0.11 2.57 2.07 0.06 0.27 116.25 120.79 1ubv h VAL 24 Ca -0.06 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1ubv h VAL 24 Cb 0.61 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ubv h VAL 24 CO -0.04 0.03 -0.05 -0.08 0.02 0.00 0.00 177.57 177.46 1ubv h GLU 25 N 0.19 -0.14 -0.58 1.57 4.57 0.82 0.82 114.58 121.83 1ubv h GLU 25 Ca 0.39 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.69 1ubv h GLU 25 Cb 0.67 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.18 1ubv h GLU 25 CO -0.55 0.02 -0.25 0.00 -1.18 0.00 0.00 179.01 177.05 1ubv h ARG 26 N -0.28 -0.10 -0.23 1.92 3.08 -1.09 0.89 114.38 118.56 1ubv h ARG 26 Ca -0.02 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ubv h ARG 26 Cb 0.23 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ubv h ARG 26 CO 0.03 -0.07 0.12 0.93 -1.07 0.00 0.00 179.97 179.91 1ubv h GLU 27 N -0.11 0.32 -0.52 0.04 5.08 -0.72 -1.25 114.58 117.43 1ubv h GLU 27 Ca 0.26 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.67 1ubv h GLU 27 Cb 0.51 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 1ubv h GLU 27 CO -0.64 0.29 -0.40 0.00 -1.00 0.00 0.00 179.01 177.26 1ubv h ARG 28 N 0.26 -0.23 0.00 2.33 3.08 0.18 0.12 114.38 120.12 1ubv h ARG 28 Ca 0.08 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ubv h ARG 28 Cb 0.07 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ubv h ARG 28 CO -0.01 -0.15 0.00 1.05 -1.07 0.00 0.00 179.97 179.78 1ubv h GLU 29 N -0.24 0.00 -0.03 0.04 4.11 0.13 -2.57 114.58 116.02 1ubv h GLU 29 Ca 0.18 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.38 1ubv h GLU 29 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1ubv h GLU 29 CO -0.65 0.00 -0.92 1.49 0.07 0.00 0.00 179.01 179.01 1ubv h GLU 30 N 0.00 0.51 0.70 1.06 4.81 0.37 -2.50 114.58 119.52 1ubv h GLU 30 Ca 0.00 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 1ubv h GLU 30 Cb 0.46 0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1ubv h GLU 30 CO 0.00 1.15 -0.34 0.35 -0.73 0.00 0.00 179.01 179.44 1ubv h PHE 31 N 0.30 -0.87 -0.74 0.92 3.57 -0.94 -2.91 116.94 116.27 1ubv h PHE 31 Ca -0.08 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.56 1ubv h PHE 31 Cb 1.55 0.29 -0.11 0.00 2.79 0.00 0.00 35.95 40.47 1ubv h PHE 31 CO 0.07 -0.54 0.20 0.28 -2.23 0.00 0.00 178.31 176.09 1ubv h VAL 32 N -0.98 0.53 0.00 1.41 2.07 -1.59 0.26 116.25 117.95 1ubv h VAL 32 Ca -0.10 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ubv h VAL 32 Cb 0.72 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1ubv h VAL 32 CO 0.16 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.41 1ubv n GLY 33 N -1.35 -0.68 0.04 2.17 0.00 -0.94 -2.34 105.19 102.08 1ubv n GLY 33 Ca 0.14 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1ubv n GLY 33 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ubv n PHE 34 N -1.11 0.29 -0.22 1.61 7.35 0.92 -4.64 117.46 121.66 1ubv n PHE 34 Ca 0.11 0.08 0.03 0.00 -0.76 0.00 0.00 57.45 56.92 1ubv n PHE 34 Cb 0.09 -0.45 0.13 0.00 0.35 0.00 0.00 39.48 39.60 1ubv n PHE 34 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1ubv h PHE 35 N 0.00 0.10 -0.48 -5.13 3.57 -1.54 -0.55 116.94 112.91 1ubv h PHE 35 Ca 0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1ubv h PHE 35 Cb 0.72 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1ubv h PHE 35 CO 0.00 -0.13 0.32 -1.35 -2.23 0.00 0.00 178.31 174.93 1ubv h PRO 36 N 0.19 0.46 0.18 6.41 0.11 -1.84 0.50 132.00 138.01 1ubv h PRO 36 Ca 0.36 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1ubv h PRO 36 Cb 0.59 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1ubv h PRO 36 CO -0.51 0.30 -0.11 0.37 -0.21 0.00 0.00 178.00 177.84 1ubv h GLN 37 N 0.47 -0.28 -0.98 1.05 5.75 -1.41 1.47 115.11 121.18 1ubv h GLN 37 Ca 0.20 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.74 1ubv h GLN 37 Cb 0.21 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 1ubv h GLN 37 CO -0.05 -0.18 0.65 0.82 -2.65 0.00 0.00 178.83 177.41 1ubv h ILE 38 N -0.29 1.23 -0.31 2.39 1.08 -0.86 0.64 117.51 121.39 1ubv h ILE 38 Ca -0.02 -0.45 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1ubv h ILE 38 Cb 0.24 -0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.79 1ubv h ILE 38 CO 0.02 0.24 0.19 0.58 -0.69 0.00 0.00 178.15 178.48 1ubv h VAL 39 N 1.30 1.12 -0.65 1.67 2.07 0.17 -0.99 116.25 120.94 1ubv h VAL 39 Ca 0.37 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1ubv h VAL 39 Cb -0.11 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1ubv h VAL 39 CO -0.09 0.12 0.38 0.03 0.02 0.00 0.00 177.57 178.03 1ubv h ARG 40 N 0.40 0.90 -0.07 1.57 3.08 0.33 -2.72 114.38 117.87 1ubv h ARG 40 Ca 0.11 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1ubv h ARG 40 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1ubv h ARG 40 CO -0.02 0.66 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.01 1ubv h ASP 41 N 0.89 -0.30 -0.90 7.04 3.32 -0.45 0.22 116.42 126.24 1ubv h ASP 41 Ca 0.23 0.04 0.20 0.00 0.02 0.00 0.00 57.03 57.52 1ubv h ASP 41 Cb 0.00 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 1ubv h ASP 41 CO -0.04 -0.07 0.60 -0.07 -1.72 0.00 0.00 179.24 177.94 1ubv h LEU 42 N -0.06 0.43 0.00 1.55 3.38 -1.09 -3.37 115.31 116.14 1ubv h LEU 42 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ubv h LEU 42 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ubv h LEU 42 CO -0.10 0.17 -0.91 0.35 0.09 0.00 0.00 178.44 178.04 1ubv n THR 43 N -4.52 0.00 -0.27 0.22 -2.24 -1.03 -4.73 114.28 101.71 1ubv n THR 43 Ca 0.19 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.01 1ubv n THR 43 Cb 0.69 -0.80 0.09 0.00 -2.10 0.00 0.00 70.33 68.21 1ubv n THR 43 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ubv n GLU 44 N -2.01 -0.08 0.12 -0.78 4.07 0.74 0.65 120.64 123.35 1ubv n GLU 44 Ca 0.00 1.15 0.12 0.00 -0.06 0.00 0.00 57.16 58.37 1ubv n GLU 44 Cb 0.46 -1.72 0.16 0.00 -0.06 0.00 0.00 31.44 30.28 1ubv n GLU 44 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1ubv h ASP 45 N 0.00 0.00 0.37 4.31 3.32 -1.83 -3.27 116.42 119.32 1ubv h ASP 45 Ca 0.34 -0.07 -0.24 0.00 0.02 0.00 0.00 57.03 57.08 1ubv h ASP 45 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.08 1ubv h ASP 45 CO -0.76 0.03 -1.03 1.23 -1.72 0.00 0.00 179.24 176.99 1ubv h GLY 46 N 4.25 0.46 -0.70 2.75 0.00 -0.07 -3.37 103.07 106.38 1ubv h GLY 46 Ca 0.00 -0.88 0.36 0.00 0.00 0.00 0.00 47.33 46.81 1ubv h GLY 46 CO 0.00 0.77 0.64 1.19 0.00 0.00 0.00 176.54 179.14 1ubv h ILE 47 N 0.21 0.23 -0.43 2.60 6.09 -0.26 -2.55 117.51 123.39 1ubv h ILE 47 Ca -0.10 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1ubv h ILE 47 Cb 1.69 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.96 1ubv h ILE 47 CO 0.18 0.04 0.00 0.61 -3.07 0.00 0.00 178.15 175.91 1ubv n GLY 48 N -1.35 3.17 3.69 8.18 0.00 -1.26 -4.73 105.19 112.89 1ubv n GLY 48 Ca 0.33 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1ubv n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubv s HIS 49 N -1.91 2.46 0.62 1.61 2.46 -0.96 -4.85 115.29 114.71 1ubv s HIS 49 Ca 0.40 0.31 0.29 0.00 0.47 0.00 0.00 55.06 56.53 1ubv s HIS 49 Cb 0.27 -3.99 1.55 0.00 -0.13 0.00 0.00 32.58 30.29 1ubv s HIS 49 CO 0.17 -3.94 1.93 -1.00 -2.47 0.00 0.00 174.74 169.42 1ubv h PRO 50 N 8.19 0.00 0.00 2.88 0.13 -1.95 -0.31 132.00 140.94 1ubv h PRO 50 Ca -0.43 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.48 1ubv h PRO 50 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1ubv h PRO 50 CO 0.93 0.00 -1.72 0.39 -0.23 0.00 0.00 178.00 177.37 1ubv n GLU 51 N -3.40 0.53 -0.04 0.86 1.02 -1.26 -4.72 120.64 113.62 1ubv n GLU 51 Ca 0.04 0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.49 1ubv n GLU 51 Cb 0.52 -1.40 0.10 0.00 -0.02 0.00 0.00 31.44 30.64 1ubv n GLU 51 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ubv n VAL 52 N -4.29 0.13 -0.35 2.62 0.24 -1.24 -4.66 118.33 110.79 1ubv n VAL 52 Ca -0.33 -0.56 0.25 0.00 -2.04 0.00 0.00 64.34 61.66 1ubv n VAL 52 Cb 0.68 1.28 0.50 0.00 -1.47 0.00 0.00 33.84 34.83 1ubv n VAL 52 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1ubv h GLY 53 N 3.65 1.67 1.02 7.63 0.00 -1.18 0.14 103.07 116.01 1ubv h GLY 53 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1ubv h GLY 53 CO 0.00 -0.34 0.43 -0.55 0.00 0.00 0.00 176.54 176.08 1ubv h ASP 54 N 0.34 1.00 -0.08 0.19 5.19 -1.83 -1.41 116.42 119.82 1ubv h ASP 54 Ca 0.70 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 57.00 1ubv h ASP 54 Cb 1.73 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.98 1ubv h ASP 54 CO -0.46 0.82 0.02 0.00 -3.12 0.00 0.00 179.24 176.50 1ubv h ALA 55 N 1.22 0.10 0.00 3.45 0.00 -1.06 -2.62 119.26 120.36 1ubv h ALA 55 Ca 0.28 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ubv h ALA 55 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ubv h ALA 55 CO -0.04 -0.28 -0.22 -0.39 0.00 0.00 0.00 179.25 178.31 1ubv h VAL 56 N -0.07 0.86 -0.27 0.00 -1.51 -1.24 -0.31 116.25 113.71 1ubv h VAL 56 Ca 0.03 -0.86 -0.09 0.00 -1.23 0.00 0.00 66.70 64.55 1ubv h VAL 56 Cb 0.22 1.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 1ubv h VAL 56 CO -0.00 0.22 -0.20 0.00 -1.23 0.00 0.00 177.57 176.35 1ubv h ALA 57 N 1.78 1.14 0.00 5.19 0.00 -1.10 -1.72 119.26 124.54 1ubv h ALA 57 Ca -0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1ubv h ALA 57 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ubv h ALA 57 CO 0.03 0.54 -0.53 -0.09 0.00 0.00 0.00 179.25 179.20 1ubv h ARG 58 N 0.45 0.00 -0.75 0.00 2.43 -0.73 -3.13 114.38 112.66 1ubv h ARG 58 Ca 0.07 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1ubv h ARG 58 Cb 0.61 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 1ubv h ARG 58 CO 0.04 0.53 0.49 1.25 -1.51 0.00 0.00 179.97 180.77 1ubv h LEU 59 N 0.00 0.85 -0.25 3.80 7.12 -0.65 -1.29 115.31 124.90 1ubv h LEU 59 Ca -0.01 -0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.04 1ubv h LEU 59 Cb 1.41 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 41.27 1ubv h LEU 59 CO 0.07 0.62 -0.09 0.50 -0.13 0.00 0.00 178.44 179.40 1ubv h LYS 60 N 1.01 -0.04 -0.45 1.25 3.64 -1.28 0.48 116.57 121.17 1ubv h LYS 60 Ca 0.28 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1ubv h LYS 60 Cb -0.11 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1ubv h LYS 60 CO -0.06 -0.03 0.23 1.49 -2.27 0.00 0.00 179.45 178.80 1ubv h GLU 61 N -0.05 0.44 -0.56 1.90 4.81 -1.47 0.39 114.58 120.03 1ubv h GLU 61 Ca 0.13 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1ubv h GLU 61 Cb 0.24 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1ubv h GLU 61 CO -0.28 0.29 0.37 0.28 -0.73 0.00 0.00 179.01 178.93 1ubv h VAL 62 N 0.45 1.13 0.86 0.32 2.07 -0.76 0.64 116.25 120.97 1ubv h VAL 62 Ca 0.19 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1ubv h VAL 62 Cb 0.10 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1ubv h VAL 62 CO -0.14 0.14 -0.41 -0.07 0.02 0.00 0.00 177.57 177.11 1ubv h LEU 63 N 0.75 -0.98 -1.99 2.57 -0.00 -0.38 -0.88 115.31 114.40 1ubv h LEU 63 Ca 0.21 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 58.10 1ubv h LEU 63 Cb -0.07 0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1ubv h LEU 63 CO -0.05 -0.67 -0.09 1.56 -0.00 0.00 0.00 178.44 179.19 1ubv h GLN 64 N -1.23 0.00 -0.07 1.13 4.20 0.05 -1.05 115.11 118.14 1ubv h GLN 64 Ca -0.12 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.41 1ubv h GLN 64 Cb 0.89 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.69 1ubv h GLN 64 CO 0.19 0.09 -0.68 -0.92 -0.67 0.00 0.00 178.83 176.84 1ubv h TYR 65 N 0.00 0.82 0.07 2.96 3.20 0.56 -3.42 116.97 121.15 1ubv h TYR 65 Ca -0.00 -0.40 -0.37 0.00 3.14 0.00 0.00 58.73 61.10 1ubv h TYR 65 Cb 0.19 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1ubv h TYR 65 CO 0.00 1.21 -2.19 0.09 -1.64 0.00 0.00 178.16 175.63 1ubv n ASN 66 N -4.10 1.93 0.12 -2.11 4.13 -0.36 -4.76 115.26 110.11 1ubv n ASN 66 Ca -0.09 0.08 -0.13 0.00 1.68 0.00 0.00 54.58 56.12 1ubv n ASN 66 Cb 0.70 -0.58 -0.08 0.00 -1.54 0.00 0.00 39.78 38.28 1ubv n ASN 66 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ubv h ALA 67 N 0.12 -0.34 -2.42 5.41 0.00 -1.40 -3.46 119.26 117.18 1ubv h ALA 67 Ca -0.48 -0.20 -0.49 0.00 0.00 0.00 0.00 54.91 53.74 1ubv h ALA 67 Cb 1.99 0.13 0.10 0.00 0.00 0.00 0.00 17.79 20.01 1ubv h ALA 67 CO 0.02 -0.47 0.36 -1.25 0.00 0.00 0.00 179.25 177.90 1ubv s PRO 68 N -4.32 2.40 0.00 0.00 0.04 -1.26 -4.49 135.00 127.37 1ubv s PRO 68 Ca -0.14 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1ubv s PRO 68 Cb 0.02 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1ubv s PRO 68 CO 0.53 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1ubv n GLY 69 N -2.31 0.52 0.00 0.56 0.00 -1.26 -4.99 105.19 97.71 1ubv n GLY 69 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ubv n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubv n GLY 70 N -2.00 1.09 0.09 -0.02 0.00 -1.26 -5.01 105.19 98.08 1ubv n GLY 70 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.36 1ubv n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubv h LYS 71 N 0.00 0.00 0.00 1.61 6.56 -1.98 -3.49 116.57 119.27 1ubv h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ubv h LYS 71 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1ubv h LYS 71 CO 0.00 0.37 0.00 0.00 -2.06 0.00 0.00 179.45 177.76 1ubv h ASN 73 N 0.00 0.45 0.37 0.00 4.21 -1.98 0.46 115.58 119.09 1ubv h ASN 73 Ca 0.00 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.57 1ubv h ASN 73 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1ubv h ASN 73 CO 0.00 0.10 -0.18 0.03 -1.29 0.00 0.00 177.43 176.10 1ubv h ARG 74 N 0.40 -0.48 -0.82 0.81 3.08 -1.89 0.09 114.38 115.57 1ubv h ARG 74 Ca 0.58 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.77 1ubv h ARG 74 Cb 1.45 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 31.53 1ubv h ARG 74 CO -0.28 -0.32 0.46 0.78 -1.07 0.00 0.00 179.97 179.54 1ubv h GLY 75 N -0.82 1.29 0.65 0.04 0.00 -1.61 -1.28 103.07 101.34 1ubv h GLY 75 Ca -0.05 -0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.06 1ubv h GLY 75 CO 0.08 0.08 0.54 1.41 0.00 0.00 0.00 176.54 178.66 1ubv h LEU 76 N 0.74 0.84 -1.88 3.11 3.38 -0.03 -1.35 115.31 120.11 1ubv h LEU 76 Ca 0.41 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.68 1ubv h LEU 76 Cb 0.43 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1ubv h LEU 76 CO -0.28 0.51 0.78 0.74 0.09 0.00 0.00 178.44 180.29 1ubv h THR 77 N 0.96 0.36 0.10 0.22 2.02 0.27 -1.39 112.91 115.45 1ubv h THR 77 Ca 0.40 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 1ubv h THR 77 Cb 0.25 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1ubv h THR 77 CO -0.20 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 176.22 1ubv h VAL 78 N 0.00 1.11 -0.70 3.16 2.07 -1.31 -1.03 116.25 119.55 1ubv h VAL 78 Ca 0.45 -1.19 0.11 0.00 0.82 0.00 0.00 66.70 66.90 1ubv h VAL 78 Cb 2.01 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 33.52 1ubv h VAL 78 CO -0.00 0.27 0.30 0.58 0.02 0.00 0.00 177.57 178.73 1ubv h VAL 79 N -0.72 0.75 0.34 2.57 2.07 -1.40 0.15 116.25 120.01 1ubv h VAL 79 Ca -0.01 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1ubv h VAL 79 Cb 0.55 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1ubv h VAL 79 CO 0.02 0.09 -0.16 0.00 0.02 0.00 0.00 177.57 177.54 1ubv h ALA 80 N 1.47 -0.46 -0.59 1.67 0.00 -1.26 -2.08 119.26 118.02 1ubv h ALA 80 Ca 0.36 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1ubv h ALA 80 Cb 0.47 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1ubv h ALA 80 CO -0.33 -0.62 0.03 0.00 0.00 0.00 0.00 179.25 178.32 1ubv h ALA 81 N -0.19 0.60 -0.47 0.00 0.00 -0.45 0.70 119.26 119.45 1ubv h ALA 81 Ca -0.05 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ubv h ALA 81 Cb 0.50 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1ubv h ALA 81 CO 0.08 -0.38 0.21 -0.92 0.00 0.00 0.00 179.25 178.24 1ubv h TYR 82 N 0.14 0.39 -0.06 0.00 3.20 -0.72 1.00 116.97 120.92 1ubv h TYR 82 Ca 0.31 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.21 1ubv h TYR 82 Cb 0.48 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1ubv h TYR 82 CO -0.33 0.18 0.22 -0.09 -1.64 0.00 0.00 178.16 176.50 1ubv h ARG 83 N 0.42 0.00 0.00 1.82 2.43 -0.17 0.70 114.38 119.58 1ubv h ARG 83 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1ubv h ARG 83 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1ubv h ARG 83 CO -0.17 0.00 -1.23 0.39 -1.51 0.00 0.00 179.97 177.45 1ubv n GLU 84 N -3.18 0.27 -0.13 0.20 -0.58 0.33 -4.58 120.64 112.97 1ubv n GLU 84 Ca -0.01 -0.05 -0.28 0.00 -0.42 0.00 0.00 57.16 56.40 1ubv n GLU 84 Cb 0.30 -1.54 -0.09 0.00 -0.57 0.00 0.00 31.44 29.53 1ubv n GLU 84 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ubv n LEU 85 N -1.87 1.86 -4.28 -4.62 4.77 0.11 -4.95 117.00 108.02 1ubv n LEU 85 Ca 0.01 0.32 -0.34 0.00 -0.03 0.00 0.00 56.01 55.98 1ubv n LEU 85 Cb 0.43 -0.78 0.10 0.00 -2.33 0.00 0.00 43.42 40.84 1ubv n LEU 85 CO 0.42 0.54 -0.53 -1.54 -1.33 0.00 0.00 177.39 174.95 1ubv n SER 86 N -4.19 -3.19 -4.86 -1.43 3.41 0.20 -5.02 113.62 98.54 1ubv n SER 86 Ca -0.52 0.24 -0.25 0.00 -0.26 0.00 0.00 58.87 58.09 1ubv n SER 86 Cb 0.86 -1.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 1ubv n SER 86 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ubv s GLY 87 N -1.70 2.31 0.47 5.00 0.00 -1.26 -4.97 107.32 107.17 1ubv s GLY 87 Ca 0.52 -1.59 0.29 0.00 0.00 0.00 0.00 44.72 43.94 1ubv s GLY 87 CO 0.71 -1.87 1.74 -2.55 0.00 0.00 0.00 173.10 171.13 1ubv h PRO 88 N 0.96 0.16 0.43 2.90 0.11 -2.02 -0.61 132.00 133.93 1ubv h PRO 88 Ca -0.39 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1ubv h PRO 88 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1ubv h PRO 88 CO 0.60 0.11 -0.40 0.78 -0.21 0.00 0.00 178.00 178.88 1ubv h GLY 89 N 0.17 -0.96 -5.81 -0.55 0.00 -2.02 -3.34 103.07 90.56 1ubv h GLY 89 Ca 0.66 0.46 -0.74 0.00 0.00 0.00 0.00 47.33 47.70 1ubv h GLY 89 CO -0.20 -0.33 2.42 -1.06 0.00 0.00 0.00 176.54 177.37 1ubv n GLN 90 N -5.50 4.28 -1.17 4.80 3.00 -0.24 -4.35 117.38 118.20 1ubv n GLN 90 Ca -0.11 -3.39 0.03 0.00 -0.01 0.00 0.00 57.00 53.53 1ubv n GLN 90 Cb 0.40 -2.72 0.03 0.00 0.00 0.00 0.00 30.24 27.94 1ubv n GLN 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ubv n LYS 91 N 2.43 0.12 -0.97 -1.09 4.76 -1.25 -4.66 118.16 117.49 1ubv n LYS 91 Ca 0.58 -1.84 -0.29 0.00 -2.87 0.00 0.00 58.31 53.89 1ubv n LYS 91 Cb 0.28 -0.25 0.19 0.00 -1.84 0.00 0.00 35.03 33.40 1ubv n LYS 91 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1ubv s ASP 92 N -1.84 2.32 0.18 4.39 -4.77 -1.26 -4.79 116.67 110.90 1ubv s ASP 92 Ca 0.26 1.39 -0.09 0.00 -3.30 0.00 0.00 52.55 50.81 1ubv s ASP 92 Cb 0.29 -2.08 0.07 0.00 -1.09 0.00 0.00 42.92 40.10 1ubv s ASP 92 CO -0.12 -3.35 1.64 0.00 0.70 0.00 0.00 175.17 174.04 1ubv h ALA 93 N -2.04 0.83 -0.01 2.11 0.00 -1.99 -1.87 119.26 116.30 1ubv h ALA 93 Ca -0.55 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.07 1ubv h ALA 93 Cb 1.32 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1ubv h ALA 93 CO 0.54 0.68 -0.25 0.93 0.00 0.00 0.00 179.25 181.15 1ubv h GLU 94 N 0.99 -0.37 -0.88 0.00 4.39 -2.00 -0.61 114.58 116.10 1ubv h GLU 94 Ca 0.17 0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.04 1ubv h GLU 94 Cb 0.57 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 1ubv h GLU 94 CO 0.03 -0.25 0.48 0.77 -1.16 0.00 0.00 179.01 178.89 1ubv h SER 95 N -0.39 0.61 -0.59 1.42 0.02 -1.85 0.96 113.55 113.73 1ubv h SER 95 Ca 0.06 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1ubv h SER 95 Cb 0.47 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1ubv h SER 95 CO -0.23 0.27 0.30 -0.07 -1.14 0.00 0.00 176.83 175.96 1ubv h LEU 96 N 0.69 0.76 -1.63 5.07 3.38 -0.62 -1.77 115.31 121.20 1ubv h LEU 96 Ca 0.47 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.36 1ubv h LEU 96 Cb 0.64 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1ubv h LEU 96 CO -0.34 0.66 0.30 0.03 0.09 0.00 0.00 178.44 179.18 1ubv h ARG 97 N 0.80 0.47 -0.10 1.13 3.08 0.72 -2.00 114.38 118.48 1ubv h ARG 97 Ca 0.20 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.07 1ubv h ARG 97 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1ubv h ARG 97 CO -0.03 0.31 -0.61 0.00 -1.07 0.00 0.00 179.97 178.57 1ubv h ALA 99 N 1.08 0.08 -0.19 0.00 0.00 -0.62 0.61 119.26 120.21 1ubv h ALA 99 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ubv h ALA 99 Cb 1.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ubv h ALA 99 CO 0.10 -0.41 0.12 -0.07 0.00 0.00 0.00 179.25 179.00 1ubv h LEU 100 N 0.05 0.21 0.31 0.00 3.38 -1.14 0.14 115.31 118.25 1ubv h LEU 100 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ubv h LEU 100 Cb 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ubv h LEU 100 CO -0.00 0.15 -0.28 0.00 0.09 0.00 0.00 178.44 178.40 1ubv h ALA 101 N 1.07 -1.00 0.00 1.53 0.00 0.03 0.17 119.26 121.06 1ubv h ALA 101 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ubv h ALA 101 Cb -0.03 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ubv h ALA 101 CO -0.02 -1.01 0.64 0.28 0.00 0.00 0.00 179.25 179.15 1ubv h VAL 102 N -0.58 0.00 0.06 0.00 2.07 0.61 0.19 116.25 118.61 1ubv h VAL 102 Ca -0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1ubv h VAL 102 Cb 0.49 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1ubv h VAL 102 CO -0.01 0.00 -0.39 1.23 0.02 0.00 0.00 177.57 178.42 1ubv h GLY 103 N 0.00 0.14 2.00 2.17 0.00 0.21 -3.09 103.07 104.51 1ubv h GLY 103 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1ubv h GLY 103 CO 0.00 0.32 0.00 1.49 0.00 0.00 0.00 176.54 178.35 1ubv h TRP 104 N -0.73 0.00 -0.19 5.60 4.06 0.77 -1.88 115.95 123.57 1ubv h TRP 104 Ca -0.07 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.84 1ubv h TRP 104 Cb 1.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.44 1ubv h TRP 104 CO 0.24 0.00 -0.02 0.00 -3.56 0.00 0.00 178.44 175.09 1ubv h ILE 106 N 0.08 1.24 -0.30 0.00 5.03 -1.40 0.14 117.51 122.30 1ubv h ILE 106 Ca 0.05 -1.15 -0.09 0.00 -0.12 0.00 0.00 64.86 63.55 1ubv h ILE 106 Cb 0.45 1.59 -0.01 0.00 -3.03 0.00 0.00 36.82 35.82 1ubv h ILE 106 CO 0.01 0.33 -0.21 -0.33 -0.68 0.00 0.00 178.15 177.28 1ubv h GLU 107 N 0.03 0.56 0.00 2.37 4.39 -0.92 -0.81 114.58 120.20 1ubv h GLU 107 Ca 0.00 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.35 1ubv h GLU 107 Cb 0.59 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1ubv h GLU 107 CO 0.04 0.74 -0.71 -0.07 -1.16 0.00 0.00 179.01 177.85 1ubv h LEU 108 N 0.50 0.00 0.04 1.33 3.38 0.74 -2.91 115.31 118.39 1ubv h LEU 108 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ubv h LEU 108 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ubv h LEU 108 CO 0.05 0.70 -0.02 0.15 0.09 0.00 0.00 178.44 179.41 1ubv h PHE 109 N 0.00 -0.06 -0.39 1.13 3.57 -0.13 -1.44 116.94 119.63 1ubv h PHE 109 Ca -0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1ubv h PHE 109 Cb 1.54 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.28 1ubv h PHE 109 CO 0.00 -0.01 0.04 0.37 -2.23 0.00 0.00 178.31 176.49 1ubv h GLN 110 N -0.09 0.60 -0.14 1.11 4.15 -1.18 -2.04 115.11 117.51 1ubv h GLN 110 Ca -0.01 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1ubv h GLN 110 Cb 0.07 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1ubv h GLN 110 CO 0.01 0.59 -0.01 0.00 -1.93 0.00 0.00 178.83 177.49 1ubv h ALA 111 N 1.48 0.19 -1.00 3.38 0.00 -1.45 -1.91 119.26 119.95 1ubv h ALA 111 Ca 0.13 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1ubv h ALA 111 Cb 0.30 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1ubv h ALA 111 CO 0.01 -0.10 0.61 0.00 0.00 0.00 0.00 179.25 179.77 1ubv h ALA 112 N 0.75 1.60 -2.25 0.00 0.00 -0.58 -2.16 119.26 116.62 1ubv h ALA 112 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ubv h ALA 112 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ubv h ALA 112 CO 0.01 0.03 0.00 0.43 0.00 0.00 0.00 179.25 179.72 1ubv n SER 113 N -4.73 0.00 -0.21 0.00 7.64 -0.84 -2.97 113.62 112.52 1ubv n SER 113 Ca 0.22 0.62 0.01 0.00 1.01 0.00 0.00 58.87 60.73 1ubv n SER 113 Cb 0.50 -0.12 0.05 0.00 -1.01 0.00 0.00 64.21 63.62 1ubv n SER 113 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ubv n LEU 114 N -1.06 -0.29 0.05 -3.43 4.77 -0.78 -0.21 117.00 116.05 1ubv n LEU 114 Ca 0.00 0.95 -0.08 0.00 -0.03 0.00 0.00 56.01 56.85 1ubv n LEU 114 Cb 0.00 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1ubv n LEU 114 CO 0.00 -0.88 0.51 0.58 -1.33 0.00 0.00 177.39 176.27 1ubv h VAL 115 N 0.00 0.00 -0.51 4.08 2.07 -1.40 0.65 116.25 121.14 1ubv h VAL 115 Ca 0.22 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1ubv h VAL 115 Cb 0.36 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.02 1ubv h VAL 115 CO -0.55 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 176.79 1ubv h ALA 116 N -1.05 0.09 -0.16 1.67 0.00 -0.48 0.22 119.26 119.56 1ubv h ALA 116 Ca -0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ubv h ALA 116 Cb 0.37 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ubv h ALA 116 CO -0.15 -0.59 0.04 0.22 0.00 0.00 0.00 179.25 178.77 1ubv h ASP 117 N -0.13 0.20 0.27 0.00 1.82 -0.12 -0.92 116.42 117.54 1ubv h ASP 117 Ca 0.23 -0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.78 1ubv h ASP 117 Cb 0.50 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1ubv h ASP 117 CO -0.59 0.21 -0.33 0.44 -1.61 0.00 0.00 179.24 177.36 1ubv h ASP 118 N 0.22 0.11 0.12 2.28 3.32 0.37 -2.58 116.42 120.26 1ubv h ASP 118 Ca 0.06 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 1ubv h ASP 118 Cb 0.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1ubv h ASP 118 CO -0.00 0.44 -0.55 0.40 -1.72 0.00 0.00 179.24 177.81 1ubv h ILE 119 N 0.09 1.34 -0.01 0.35 2.04 -1.04 0.43 117.51 120.71 1ubv h ILE 119 Ca 0.01 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.05 1ubv h ILE 119 Cb 0.64 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1ubv h ILE 119 CO 0.05 0.56 -0.02 0.23 0.00 0.00 0.00 178.15 178.96 1ubv n MET 120 N -3.94 1.12 0.00 2.37 2.81 -1.05 -2.83 117.12 115.60 1ubv n MET 120 Ca -0.03 -0.33 0.01 0.00 -1.81 0.00 0.00 57.70 55.53 1ubv n MET 120 Cb 0.60 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1ubv n MET 120 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ubv n ASP 121 N -0.65 0.19 -3.44 7.83 9.92 -0.98 -4.95 116.55 124.46 1ubv n ASP 121 Ca 0.20 -0.59 -0.18 0.00 -0.53 0.00 0.00 54.79 53.69 1ubv n ASP 121 Cb 0.22 0.87 0.07 0.00 -0.64 0.00 0.00 41.12 41.64 1ubv n ASP 121 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ubv n GLN 122 N -0.88 -4.96 -2.05 -1.24 1.13 0.05 -4.95 117.38 104.48 1ubv n GLN 122 Ca 0.00 0.80 -0.29 0.00 -1.94 0.00 0.00 57.00 55.57 1ubv n GLN 122 Cb 0.02 -5.66 0.17 0.00 0.11 0.00 0.00 30.24 24.88 1ubv n GLN 122 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ubv s SER 123 N -4.07 3.39 -0.02 1.08 0.01 -0.64 -5.02 113.70 108.43 1ubv s SER 123 Ca 0.14 0.17 -0.00 0.00 1.31 0.00 0.00 55.95 57.56 1ubv s SER 123 Cb -0.02 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 1ubv s SER 123 CO 0.75 -2.54 -0.02 0.18 0.41 0.00 0.00 173.24 172.02 1ubv n LEU 124 N -3.58 2.01 -4.27 2.44 7.99 -1.26 -4.89 117.00 115.44 1ubv n LEU 124 Ca 0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.99 1ubv n LEU 124 Cb 0.60 -0.06 -0.10 0.00 -0.11 0.00 0.00 43.42 43.74 1ubv n LEU 124 CO 0.46 0.36 -0.43 -0.89 -1.51 0.00 0.00 177.39 175.38 1ubv s THR 125 N -2.04 1.37 -0.28 -5.08 2.01 -1.26 -1.98 115.64 108.37 1ubv s THR 125 Ca -0.02 -1.99 -0.19 0.00 0.31 0.00 0.00 61.69 59.80 1ubv s THR 125 Cb 0.01 -1.79 0.11 0.00 0.01 0.00 0.00 72.50 70.84 1ubv s THR 125 CO 0.04 -0.60 0.86 -0.60 -0.69 0.00 0.00 174.62 173.63 1ubv s ARG 126 N -3.36 0.56 -1.61 4.92 3.52 0.61 -4.79 118.95 118.80 1ubv s ARG 126 Ca 0.16 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 1ubv s ARG 126 Cb -0.01 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 1ubv s ARG 126 CO 0.03 -0.10 0.00 -2.13 -0.81 0.00 0.00 175.30 172.29 1ubv n ARG 127 N 3.54 -1.38 -0.91 5.12 3.00 -1.26 -0.34 116.66 124.42 1ubv n ARG 127 Ca -0.17 0.92 0.00 0.00 -0.00 0.00 0.00 57.85 58.60 1ubv n ARG 127 Cb 0.57 -5.36 0.00 0.00 0.00 0.00 0.00 32.46 27.67 1ubv n ARG 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ubv n GLY 128 N -0.97 0.14 3.91 5.14 0.00 -1.26 -4.96 105.19 107.19 1ubv n GLY 128 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1ubv n GLY 128 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ubv s GLN 129 N -1.38 2.61 0.09 1.61 -2.07 0.54 -5.09 119.66 115.98 1ubv s GLN 129 Ca 0.00 -1.46 -0.27 0.00 -1.82 0.00 0.00 55.36 51.81 1ubv s GLN 129 Cb 0.00 -2.47 -0.06 0.00 -1.09 0.00 0.00 33.01 29.39 1ubv s GLN 129 CO 0.00 -0.20 0.86 -1.17 -1.32 0.00 0.00 175.29 173.46 1ubv s LEU 130 N -4.17 4.49 0.20 2.60 2.96 -1.26 -0.29 118.68 123.21 1ubv s LEU 130 Ca 0.49 1.64 -0.30 0.00 -0.22 0.00 0.00 54.13 55.74 1ubv s LEU 130 Cb -0.05 -3.41 -0.16 0.00 0.50 0.00 0.00 46.19 43.08 1ubv s LEU 130 CO 0.29 0.00 0.89 0.00 -1.32 0.00 0.00 176.35 176.21 1ubv h TRP 132 N 2.11 0.74 -0.03 0.00 2.91 -1.94 -0.51 115.95 119.23 1ubv h TRP 132 Ca -0.38 0.03 0.01 0.00 1.13 0.00 0.00 58.89 59.68 1ubv h TRP 132 Cb 1.38 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.82 1ubv h TRP 132 CO 0.48 0.27 0.02 0.10 -1.03 0.00 0.00 178.44 178.28 1ubv h TYR 133 N 0.68 0.00 0.00 2.65 -0.00 -1.88 -1.78 116.97 116.64 1ubv h TYR 133 Ca 0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 59.07 1ubv h TYR 133 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.12 1ubv h TYR 133 CO -0.09 0.00 -0.20 0.87 -0.00 0.00 0.00 178.16 178.74 1ubv h LYS 134 N 0.00 0.00 -6.41 0.10 1.79 -1.38 -1.66 116.57 109.02 1ubv h LYS 134 Ca 0.01 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.94 1ubv h LYS 134 Cb 0.05 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1ubv h LYS 134 CO -0.00 0.20 1.18 1.63 -1.08 0.00 0.00 179.45 181.38 1ubv n LYS 135 N -3.27 2.79 -1.63 3.15 4.76 -0.67 -4.88 118.16 118.41 1ubv n LYS 135 Ca 0.01 1.02 -0.46 0.00 -2.87 0.00 0.00 58.31 56.01 1ubv n LYS 135 Cb 0.47 -2.94 -0.03 0.00 -1.84 0.00 0.00 35.03 30.69 1ubv n LYS 135 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ubv n GLU 136 N 6.75 1.66 0.00 1.97 4.71 -1.26 -1.98 120.64 132.50 1ubv n GLU 136 Ca 0.19 0.59 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 1ubv n GLU 136 Cb 0.39 -2.16 0.00 0.00 -1.01 0.00 0.00 31.44 28.66 1ubv n GLU 136 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ubv n GLY 137 N 1.94 3.16 0.00 0.62 0.00 -1.26 -4.89 105.19 104.76 1ubv n GLY 137 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ubv n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ubv n VAL 138 N -0.70 0.00 0.00 1.61 0.31 -0.83 -4.99 118.33 113.73 1ubv n VAL 138 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ubv n VAL 138 Cb 0.00 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1ubv n VAL 138 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubv n GLY 139 N 2.97 1.92 0.01 2.92 0.00 -0.62 -3.39 105.19 109.00 1ubv n GLY 139 Ca 0.00 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1ubv n GLY 139 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ubv n LEU 140 N 0.00 0.48 0.28 0.99 7.94 -1.26 -3.49 117.00 121.94 1ubv n LEU 140 Ca 0.00 0.06 0.12 0.00 -1.11 0.00 0.00 56.01 55.08 1ubv n LEU 140 Cb 0.00 -0.26 0.80 0.00 0.53 0.00 0.00 43.42 44.49 1ubv n LEU 140 CO 0.00 0.10 1.09 0.44 -1.11 0.00 0.00 177.39 177.91 1ubv h ASP 141 N 0.00 0.00 0.00 1.96 5.19 -1.94 0.15 116.42 121.78 1ubv h ASP 141 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ubv h ASP 141 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1ubv h ASP 141 CO 0.00 0.02 0.07 0.00 -3.12 0.00 0.00 179.24 176.21 1ubv h ALA 142 N 1.98 1.06 -0.34 3.45 0.00 -1.81 0.92 119.26 124.52 1ubv h ALA 142 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubv h ALA 142 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ubv h ALA 142 CO 0.00 -0.06 0.21 0.82 0.00 0.00 0.00 179.25 180.22 1ubv h ILE 143 N 0.00 1.11 0.00 0.00 2.04 -1.24 -0.91 117.51 118.51 1ubv h ILE 143 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1ubv h ILE 143 Cb 0.14 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1ubv h ILE 143 CO 0.00 0.10 0.00 -1.13 0.00 0.00 0.00 178.15 177.12 1ubv h ASN 144 N 0.45 0.00 0.55 1.72 -1.24 -1.00 -3.04 115.58 113.02 1ubv h ASN 144 Ca 0.12 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.84 1ubv h ASN 144 Cb -0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1ubv h ASN 144 CO -0.02 0.00 -1.36 0.44 -1.29 0.00 0.00 177.43 175.19 1ubv h ASP 145 N 0.00 0.42 0.40 1.15 3.32 -1.00 -2.60 116.42 118.11 1ubv h ASP 145 Ca 0.00 -0.50 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 1ubv h ASP 145 Cb 0.66 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1ubv h ASP 145 CO 0.00 1.40 -0.34 0.77 -1.72 0.00 0.00 179.24 179.35 1ubv h SER 146 N 0.07 0.00 -0.02 6.45 4.64 -1.15 -0.94 113.55 122.61 1ubv h SER 146 Ca -0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1ubv h SER 146 Cb 2.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1ubv h SER 146 CO 0.19 0.34 0.01 -0.26 -0.87 0.00 0.00 176.83 176.24 1ubv h PHE 147 N 0.00 0.03 -0.22 4.77 0.04 -1.39 -2.35 116.94 117.82 1ubv h PHE 147 Ca -0.00 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1ubv h PHE 147 Cb 0.63 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1ubv h PHE 147 CO 0.00 0.19 0.14 -0.07 -0.60 0.00 0.00 178.31 177.98 1ubv h LEU 148 N -0.14 0.23 -0.99 1.54 3.38 -1.23 0.84 115.31 118.95 1ubv h LEU 148 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ubv h LEU 148 Cb 0.18 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ubv h LEU 148 CO -0.00 0.17 0.13 -0.07 0.09 0.00 0.00 178.44 178.76 1ubv h LEU 149 N 0.27 0.81 -0.26 1.67 3.38 -0.95 -1.59 115.31 118.65 1ubv h LEU 149 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ubv h LEU 149 Cb -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1ubv h LEU 149 CO -0.02 0.80 0.11 -0.08 0.09 0.00 0.00 178.44 179.34 1ubv h GLU 150 N 0.83 0.38 0.00 1.13 4.81 -0.32 -2.05 114.58 119.37 1ubv h GLU 150 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ubv h GLU 150 Cb 0.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ubv h GLU 150 CO -0.00 0.41 0.00 -1.13 -0.73 0.00 0.00 179.01 177.56 1ubv n SER 151 N -4.78 0.00 0.15 1.04 3.41 -0.77 -2.10 113.62 110.57 1ubv n SER 151 Ca -0.03 0.19 -0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1ubv n SER 151 Cb 0.12 -0.39 0.24 0.00 -0.26 0.00 0.00 64.21 63.92 1ubv n SER 151 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ubv h SER 152 N 0.00 0.02 -0.93 4.04 0.02 -0.54 -1.65 113.55 114.51 1ubv h SER 152 Ca 0.00 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1ubv h SER 152 Cb 0.37 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1ubv h SER 152 CO 0.00 0.53 0.61 0.58 -1.14 0.00 0.00 176.83 177.42 1ubv h VAL 153 N 0.02 1.21 0.00 2.27 2.07 -1.40 -1.43 116.25 118.98 1ubv h VAL 153 Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ubv h VAL 153 Cb 0.92 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1ubv h VAL 153 CO 0.07 0.23 -0.36 1.88 0.02 0.00 0.00 177.57 179.41 1ubv h TYR 154 N 1.23 0.00 -0.20 1.57 0.05 -1.58 -3.13 116.97 114.92 1ubv h TYR 154 Ca 0.35 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.92 1ubv h TYR 154 Cb -0.09 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.65 1ubv h TYR 154 CO -0.01 0.00 -0.70 0.00 -1.05 0.00 0.00 178.16 176.40 1ubv h ARG 155 N 0.00 0.80 -0.32 4.88 2.47 -0.33 -2.44 114.38 119.44 1ubv h ARG 155 Ca 0.00 -0.60 -0.09 0.00 -1.26 0.00 0.00 59.98 58.03 1ubv h ARG 155 Cb 0.89 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 1ubv h ARG 155 CO 0.00 1.22 -0.17 0.28 0.56 0.00 0.00 179.97 181.86 1ubv h VAL 156 N 0.57 1.25 -0.16 2.04 2.07 -1.41 -1.55 116.25 119.06 1ubv h VAL 156 Ca -0.03 -1.17 -0.13 0.00 0.82 0.00 0.00 66.70 66.19 1ubv h VAL 156 Cb 1.32 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1ubv h VAL 156 CO 0.15 0.38 -0.42 -0.07 0.02 0.00 0.00 177.57 177.63 1ubv h LEU 157 N 0.52 0.65 -1.52 2.57 3.38 -1.56 0.14 115.31 119.50 1ubv h LEU 157 Ca 0.09 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1ubv h LEU 157 Cb 0.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ubv h LEU 157 CO 0.04 1.11 0.20 0.50 0.09 0.00 0.00 178.44 180.38 1ubv h LYS 158 N 0.22 0.52 -0.07 1.13 3.64 -1.23 0.25 116.57 121.02 1ubv h LYS 158 Ca -0.01 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.12 1ubv h LYS 158 Cb 1.03 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1ubv h LYS 158 CO 0.09 0.39 -0.78 -0.22 -2.27 0.00 0.00 179.45 176.66 1ubv h LYS 159 N 0.52 0.48 0.00 1.90 1.63 -0.96 -3.09 116.57 117.04 1ubv h LYS 159 Ca 0.14 -0.41 -0.38 0.00 -0.85 0.00 0.00 60.65 59.14 1ubv h LYS 159 Cb 0.04 0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 31.69 1ubv h LYS 159 CO -0.02 1.05 -2.42 0.66 -3.45 0.00 0.00 179.45 175.27 1ubv n TYR 160 N -3.84 0.00 0.41 1.91 4.02 0.01 -4.71 117.16 114.96 1ubv n TYR 160 Ca -0.05 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.88 1ubv n TYR 160 Cb 0.74 -1.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.09 1ubv n TYR 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ubv h ARG 162 N 1.67 0.41 -2.45 0.00 2.43 -1.43 -2.95 114.38 112.06 1ubv h ARG 162 Ca 0.00 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.48 1ubv h ARG 162 Cb 0.38 -0.09 -0.37 0.00 -0.42 0.00 0.00 29.97 29.47 1ubv h ARG 162 CO 0.00 0.27 -0.14 1.04 -1.51 0.00 0.00 179.97 179.63 1ubv n GLN 163 N -4.61 3.16 -3.75 0.20 6.02 -1.26 -4.91 117.38 112.23 1ubv n GLN 163 Ca 0.24 -4.64 -0.13 0.00 -0.01 0.00 0.00 57.00 52.46 1ubv n GLN 163 Cb 0.83 -2.34 -0.10 0.00 1.02 0.00 0.00 30.24 29.64 1ubv n GLN 163 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ubv s ARG 164 N -2.57 0.47 0.61 -1.09 1.81 -1.11 -5.03 118.95 112.04 1ubv s ARG 164 Ca 0.37 0.35 0.30 0.00 -1.72 0.00 0.00 55.73 55.02 1ubv s ARG 164 Cb 0.11 0.22 1.67 0.00 -0.45 0.00 0.00 34.95 36.51 1ubv s ARG 164 CO 0.03 -0.08 2.05 -1.00 -0.68 0.00 0.00 175.30 175.62 1ubv h PRO 165 N 5.21 0.00 -0.73 3.54 0.13 -1.95 -2.49 132.00 135.71 1ubv h PRO 165 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ubv h PRO 165 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ubv h PRO 165 CO 0.31 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.56 1ubv n TYR 166 N -3.60 1.09 0.05 1.56 0.18 -1.26 -4.59 117.16 110.59 1ubv n TYR 166 Ca 0.02 -0.52 -0.12 0.00 1.88 0.00 0.00 57.90 59.16 1ubv n TYR 166 Cb 0.39 -0.05 -0.05 0.00 -0.38 0.00 0.00 39.34 39.25 1ubv n TYR 166 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1ubv h TYR 167 N 4.32 -0.87 -0.34 -3.48 3.20 -1.63 -2.45 116.97 115.71 1ubv h TYR 167 Ca 0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1ubv h TYR 167 Cb 1.09 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 1ubv h TYR 167 CO 0.55 -0.40 0.23 0.28 -1.64 0.00 0.00 178.16 177.18 1ubv h VAL 168 N -0.45 0.99 -0.22 1.81 2.07 -1.85 -1.60 116.25 116.99 1ubv h VAL 168 Ca 0.07 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1ubv h VAL 168 Cb 0.55 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1ubv h VAL 168 CO -0.29 0.05 0.03 0.45 0.02 0.00 0.00 177.57 177.84 1ubv h HIS 169 N 0.30 0.40 0.74 1.57 3.86 -1.77 0.03 115.15 120.28 1ubv h HIS 169 Ca 0.14 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1ubv h HIS 169 Cb 0.20 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1ubv h HIS 169 CO -0.00 0.52 -0.41 -0.07 0.86 0.00 0.00 177.93 178.83 1ubv h LEU 170 N 0.17 -1.01 -0.91 2.43 3.38 -1.01 0.88 115.31 119.25 1ubv h LEU 170 Ca 0.07 0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.31 1ubv h LEU 170 Cb 0.34 0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.21 1ubv h LEU 170 CO 0.01 -0.66 -0.02 -0.07 0.09 0.00 0.00 178.44 177.80 1ubv h LEU 171 N -1.06 -0.49 -0.37 1.67 4.07 -1.32 0.21 115.31 118.02 1ubv h LEU 171 Ca -0.10 0.25 -0.17 0.00 0.08 0.00 0.00 57.88 57.94 1ubv h LEU 171 Cb 0.83 0.45 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 1ubv h LEU 171 CO 0.13 -0.29 -0.44 -0.33 -1.08 0.00 0.00 178.44 176.44 1ubv h GLU 172 N 0.05 0.92 0.29 1.13 5.08 -0.65 -2.37 114.58 119.03 1ubv h GLU 172 Ca 0.52 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ubv h GLU 172 Cb 0.98 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1ubv h GLU 172 CO -0.84 1.16 -0.38 1.25 -1.00 0.00 0.00 179.01 179.20 1ubv h LEU 173 N 0.73 -1.08 -0.67 1.33 5.85 0.39 -1.66 115.31 120.20 1ubv h LEU 173 Ca 0.05 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1ubv h LEU 173 Cb 1.04 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 42.36 1ubv h LEU 173 CO 0.10 -0.47 0.29 -0.26 -0.34 0.00 0.00 178.44 177.76 1ubv h PHE 174 N -0.69 0.51 -0.45 1.25 0.04 -1.19 -1.92 116.94 114.48 1ubv h PHE 174 Ca -0.03 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1ubv h PHE 174 Cb 0.62 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1ubv h PHE 174 CO -0.27 0.14 0.10 -0.07 -0.60 0.00 0.00 178.31 177.62 1ubv h LEU 175 N 0.49 0.70 -0.46 1.54 4.07 -1.39 -1.66 115.31 118.58 1ubv h LEU 175 Ca 0.34 -0.24 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 1ubv h LEU 175 Cb 0.42 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1ubv h LEU 175 CO -0.31 0.76 -0.03 -0.61 -1.08 0.00 0.00 178.44 177.17 1ubv h GLN 176 N 0.61 0.84 -0.25 1.13 5.75 -0.91 -1.62 115.11 120.65 1ubv h GLN 176 Ca 0.14 -0.28 -0.12 0.00 -0.15 0.00 0.00 58.65 58.24 1ubv h GLN 176 Cb 0.34 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1ubv h GLN 176 CO 0.00 0.91 -0.34 1.79 -2.65 0.00 0.00 178.83 178.54 1ubv h THR 177 N 0.69 1.29 -0.89 2.39 1.35 -1.34 -0.58 112.91 115.81 1ubv h THR 177 Ca 0.13 -1.46 0.15 0.00 -0.55 0.00 0.00 66.41 64.68 1ubv h THR 177 Cb 0.55 1.47 -0.10 0.00 -1.73 0.00 0.00 68.15 68.35 1ubv h THR 177 CO 0.03 0.46 0.49 0.00 -0.25 0.00 0.00 175.52 176.25 1ubv h ALA 178 N 1.17 1.38 -0.03 6.62 0.00 -0.64 0.50 119.26 128.25 1ubv h ALA 178 Ca 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ubv h ALA 178 Cb 0.82 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ubv h ALA 178 CO 0.07 -0.05 -0.04 -0.92 0.00 0.00 0.00 179.25 178.32 1ubv h TYR 179 N 0.69 0.10 -0.45 0.00 3.20 -0.43 -2.35 116.97 117.73 1ubv h TYR 179 Ca 0.49 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.40 1ubv h TYR 179 Cb 0.68 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 1ubv h TYR 179 CO -0.07 0.56 0.10 1.96 -1.64 0.00 0.00 178.16 179.07 1ubv h GLN 180 N -0.39 0.23 -0.47 1.82 4.20 0.02 -2.37 115.11 118.15 1ubv h GLN 180 Ca 0.00 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1ubv h GLN 180 Cb 0.54 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1ubv h GLN 180 CO 0.01 0.15 0.01 1.79 -0.67 0.00 0.00 178.83 180.12 1ubv h THR 181 N 0.24 1.24 -0.13 -0.54 1.35 -0.93 -2.03 112.91 112.11 1ubv h THR 181 Ca 0.22 -0.96 0.04 0.00 -0.55 0.00 0.00 66.41 65.16 1ubv h THR 181 Cb 0.27 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1ubv h THR 181 CO -0.28 0.34 0.11 -0.33 -0.25 0.00 0.00 175.52 175.11 1ubv h GLU 182 N 0.72 0.00 0.09 4.72 5.08 -0.91 0.36 114.58 124.65 1ubv h GLU 182 Ca 0.14 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 1ubv h GLU 182 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ubv h GLU 182 CO 0.02 0.00 -1.19 -0.07 -1.00 0.00 0.00 179.01 176.77 1ubv h LEU 183 N 0.00 0.81 -1.17 1.33 3.38 -1.05 0.19 115.31 118.80 1ubv h LEU 183 Ca 0.06 -0.73 -0.08 0.00 0.09 0.00 0.00 57.88 57.22 1ubv h LEU 183 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ubv h LEU 183 CO -0.00 1.54 -0.27 1.23 0.09 0.00 0.00 178.44 181.03 1ubv h GLY 184 N 0.53 0.26 0.72 0.83 0.00 -0.85 0.38 103.07 104.93 1ubv h GLY 184 Ca -0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1ubv h GLY 184 CO 0.22 0.18 -0.04 -1.61 0.00 0.00 0.00 176.54 175.29 1ubv h GLN 185 N 0.21 0.23 -0.65 4.80 5.75 -0.17 -1.69 115.11 123.60 1ubv h GLN 185 Ca 0.03 -0.10 0.11 0.00 -0.15 0.00 0.00 58.65 58.54 1ubv h GLN 185 Cb 0.60 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.06 1ubv h GLN 185 CO 0.04 0.56 0.24 1.98 -2.65 0.00 0.00 178.83 179.00 1ubv h MET 186 N -0.11 0.40 -0.21 1.69 4.05 0.10 0.16 114.93 121.01 1ubv h MET 186 Ca 0.03 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1ubv h MET 186 Cb 0.48 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 1ubv h MET 186 CO 0.01 0.27 0.01 -0.07 0.23 0.00 0.00 176.91 177.36 1ubv h LEU 187 N 0.41 -0.06 0.26 3.39 3.38 0.07 -2.56 115.31 120.21 1ubv h LEU 187 Ca 0.33 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1ubv h LEU 187 Cb 0.44 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1ubv h LEU 187 CO -0.34 -0.00 -0.35 -0.78 0.09 0.00 0.00 178.44 177.06 1ubv h ASP 188 N 0.08 -0.98 -0.32 -0.43 3.58 -0.39 -1.20 116.42 116.76 1ubv h ASP 188 Ca 0.10 0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.74 1ubv h ASP 188 Cb 0.12 0.35 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1ubv h ASP 188 CO -0.16 -0.47 0.40 -0.07 -2.88 0.00 0.00 179.24 176.06 1ubv h LEU 189 N -0.67 0.00 0.12 2.28 4.07 -0.61 -0.30 115.31 120.19 1ubv h LEU 189 Ca -0.00 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.61 1ubv h LEU 189 Cb 0.64 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1ubv h LEU 189 CO -0.12 0.00 -1.85 0.40 -1.08 0.00 0.00 178.44 175.79 1ubv h ILE 190 N 0.00 0.71 0.50 1.22 2.04 -1.06 -3.36 117.51 117.57 1ubv h ILE 190 Ca 0.15 -2.34 -0.02 0.00 1.00 0.00 0.00 64.86 63.64 1ubv h ILE 190 Cb 0.95 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1ubv h ILE 190 CO -0.00 0.82 -0.24 0.74 0.00 0.00 0.00 178.15 179.47 1ubv h THR 191 N -0.07 0.00 -3.23 -0.27 2.02 0.09 -3.37 112.91 108.08 1ubv h THR 191 Ca -0.40 -0.03 -0.72 0.00 0.77 0.00 0.00 66.41 66.03 1ubv h THR 191 Cb 1.94 0.00 -0.34 0.00 -1.74 0.00 0.00 68.15 68.01 1ubv h THR 191 CO 0.06 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.99 1ubv n ALA 192 N -2.35 4.03 -1.97 6.16 0.00 -0.48 -4.82 120.51 121.07 1ubv n ALA 192 Ca -0.08 -4.64 -0.43 0.00 0.00 0.00 0.00 53.44 48.29 1ubv n ALA 192 Cb 0.26 -1.82 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 1ubv n ALA 192 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ubv s PRO 193 N -1.60 3.88 0.00 0.00 0.02 -1.26 -4.76 135.00 131.28 1ubv s PRO 193 Ca 0.29 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1ubv s PRO 193 Cb -0.05 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.40 1ubv s PRO 193 CO -0.09 -1.21 0.08 1.33 -0.33 0.00 0.00 177.00 176.78 1ubv n VAL 194 N 6.17 0.04 -2.66 3.83 0.24 -1.26 -2.33 118.33 122.37 1ubv n VAL 194 Ca 0.20 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.48 1ubv n VAL 194 Cb 0.44 -0.24 0.08 0.00 -1.47 0.00 0.00 33.84 32.65 1ubv n VAL 194 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ubv n SER 195 N 0.63 -0.30 0.00 -1.34 7.64 -1.26 -4.98 113.62 114.01 1ubv n SER 195 Ca 0.00 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.76 1ubv n SER 195 Cb 0.04 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1ubv n SER 195 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ubv n LYS 196 N -0.99 0.00 0.22 1.43 3.00 -0.98 -5.13 118.16 115.71 1ubv n LYS 196 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.13 1ubv n LYS 196 Cb 0.85 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.84 1ubv n LYS 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1ubv h VAL 197 N 0.00 0.00 0.00 3.15 2.07 -1.91 -3.39 116.25 116.18 1ubv h VAL 197 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ubv h VAL 197 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1ubv h VAL 197 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1ubv n ASP 198 N -3.59 0.00 -0.93 0.57 8.00 -1.26 -4.86 116.55 114.47 1ubv n ASP 198 Ca -0.07 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.51 1ubv n ASP 198 Cb 0.22 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.55 1ubv n ASP 198 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ubv n LEU 199 N 0.95 2.71 0.09 0.64 4.77 -1.26 -4.28 117.00 120.62 1ubv n LEU 199 Ca 0.00 -1.35 -0.13 0.00 -0.03 0.00 0.00 56.01 54.50 1ubv n LEU 199 Cb 0.00 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 1ubv n LEU 199 CO 0.00 0.67 0.76 0.77 -1.33 0.00 0.00 177.39 178.26 1ubv h SER 200 N 2.99 -0.16 0.00 -1.43 4.64 -1.96 -2.82 113.55 114.81 1ubv h SER 200 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1ubv h SER 200 Cb 0.68 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1ubv h SER 200 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1ubv n HIS 201 N -5.11 0.00 -2.67 4.77 8.25 -1.26 -4.50 115.22 114.70 1ubv n HIS 201 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.95 1ubv n HIS 201 Cb 0.14 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.25 1ubv n HIS 201 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ubv n PHE 202 N -0.38 2.54 -2.39 4.41 3.01 -1.07 -4.93 117.46 118.66 1ubv n PHE 202 Ca 0.00 -2.66 -0.27 0.00 1.01 0.00 0.00 57.45 55.52 1ubv n PHE 202 Cb 0.04 -1.56 0.02 0.00 -0.01 0.00 0.00 39.48 37.97 1ubv n PHE 202 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1ubv s SER 203 N -0.60 5.85 0.16 4.37 1.04 -1.26 -4.75 113.70 118.50 1ubv s SER 203 Ca 0.36 0.87 -0.08 0.00 0.48 0.00 0.00 55.95 57.58 1ubv s SER 203 Cb 0.08 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1ubv s SER 203 CO 0.05 -0.91 1.46 -0.08 0.98 0.00 0.00 173.24 174.73 1ubv h GLU 204 N -0.10 0.76 -0.31 4.02 4.81 -1.94 0.15 114.58 121.96 1ubv h GLU 204 Ca -0.46 -0.47 -0.12 0.00 -0.13 0.00 0.00 59.36 58.19 1ubv h GLU 204 Cb 1.23 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1ubv h GLU 204 CO 0.61 1.09 -0.29 0.93 -0.73 0.00 0.00 179.01 180.62 1ubv h GLU 205 N 0.59 0.64 -0.14 1.92 4.39 -1.97 0.38 114.58 120.39 1ubv h GLU 205 Ca 0.02 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 1ubv h GLU 205 Cb 1.10 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1ubv h GLU 205 CO 0.11 0.86 -0.31 -0.09 -1.16 0.00 0.00 179.01 178.43 1ubv h ARG 206 N 0.55 0.46 0.32 2.33 9.65 -1.88 0.29 114.38 126.11 1ubv h ARG 206 Ca 0.07 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.63 1ubv h ARG 206 Cb 0.78 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1ubv h ARG 206 CO 0.06 0.91 -0.17 -0.92 2.80 0.00 0.00 179.97 182.66 1ubv h TYR 207 N 0.07 -0.44 -0.36 2.20 3.20 -0.38 1.24 116.97 122.50 1ubv h TYR 207 Ca 0.00 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.97 1ubv h TYR 207 Cb 0.90 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1ubv h TYR 207 CO 0.10 -0.27 0.33 0.87 -1.64 0.00 0.00 178.16 177.55 1ubv h LYS 208 N -0.45 0.00 0.00 1.82 1.57 -0.17 0.54 116.57 119.88 1ubv h LYS 208 Ca -0.04 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 1ubv h LYS 208 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1ubv h LYS 208 CO 0.06 0.00 -1.22 0.00 -0.57 0.00 0.00 179.45 177.72 1ubv h ALA 209 N 1.69 0.62 -0.28 3.86 0.00 0.21 -0.42 119.26 124.94 1ubv h ALA 209 Ca 0.17 -0.96 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 1ubv h ALA 209 Cb 0.82 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ubv h ALA 209 CO -0.00 1.13 -0.45 0.82 0.00 0.00 0.00 179.25 180.74 1ubv h ILE 210 N 0.00 1.29 -0.05 0.00 2.04 0.61 -2.88 117.51 118.53 1ubv h ILE 210 Ca -0.13 -1.64 -0.14 0.00 1.00 0.00 0.00 64.86 63.95 1ubv h ILE 210 Cb 1.71 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1ubv h ILE 210 CO 0.08 0.53 -0.60 0.58 0.00 0.00 0.00 178.15 178.73 1ubv h VAL 211 N 0.57 1.40 -0.48 1.67 2.07 -0.40 -1.62 116.25 119.46 1ubv h VAL 211 Ca 0.04 -2.00 -0.07 0.00 0.82 0.00 0.00 66.70 65.48 1ubv h VAL 211 Cb 1.00 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1ubv h VAL 211 CO 0.09 0.59 0.02 0.50 0.02 0.00 0.00 177.57 178.79 1ubv h LYS 212 N 0.12 0.84 0.06 1.57 3.64 -0.86 -3.03 116.57 118.90 1ubv h LYS 212 Ca -0.01 -0.26 -0.31 0.00 -1.27 0.00 0.00 60.65 58.81 1ubv h LYS 212 Cb 1.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1ubv h LYS 212 CO 0.09 0.88 -1.71 1.88 -2.27 0.00 0.00 179.45 178.32 1ubv h TYR 213 N 0.70 0.22 0.00 1.91 -1.99 -1.47 -3.11 116.97 113.23 1ubv h TYR 213 Ca 0.14 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1ubv h TYR 213 Cb 0.49 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.21 1ubv h TYR 213 CO 0.04 1.28 0.00 1.17 -0.00 0.00 0.00 178.16 180.65 1ubv n LYS 214 N -3.26 0.15 0.00 4.88 4.81 -0.62 -3.25 118.16 120.87 1ubv n LYS 214 Ca -0.20 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1ubv n LYS 214 Cb 1.04 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 34.41 1ubv n LYS 214 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ubv n THR 215 N -1.95 0.00 0.35 3.15 -2.24 -1.24 -4.89 114.28 107.47 1ubv n THR 215 Ca 0.06 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 1ubv n THR 215 Cb 0.38 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 1ubv n THR 215 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubv h ALA 216 N 0.00 -0.96 0.25 6.98 0.00 -1.61 0.43 119.26 124.35 1ubv h ALA 216 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ubv h ALA 216 Cb 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ubv h ALA 216 CO 0.00 -1.05 -0.31 0.74 0.00 0.00 0.00 179.25 178.63 1ubv h PHE 217 N -0.94 -0.87 0.00 0.00 0.04 -1.81 -0.42 116.94 112.94 1ubv h PHE 217 Ca -0.08 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1ubv h PHE 217 Cb 0.76 0.35 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1ubv h PHE 217 CO -0.09 -0.40 0.00 2.48 -0.60 0.00 0.00 178.31 179.71 1ubv n TYR 218 N -4.24 0.77 -0.06 -0.55 4.11 -1.22 -1.27 117.16 114.69 1ubv n TYR 218 Ca -0.07 0.30 -0.09 0.00 -0.00 0.00 0.00 57.90 58.04 1ubv n TYR 218 Cb 0.27 -0.98 -0.15 0.00 -0.00 0.00 0.00 39.34 38.49 1ubv n TYR 218 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1ubv n SER 219 N -2.19 0.51 -0.01 9.48 7.64 0.15 -4.48 113.62 124.72 1ubv n SER 219 Ca 0.02 0.23 -0.02 0.00 1.01 0.00 0.00 58.87 60.11 1ubv n SER 219 Cb 0.24 0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 1ubv n SER 219 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ubv n PHE 220 N -2.92 0.00 -0.07 1.43 3.01 -0.20 -4.71 117.46 114.00 1ubv n PHE 220 Ca -0.24 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.14 1ubv n PHE 220 Cb 1.10 -0.13 -0.01 0.00 -0.01 0.00 0.00 39.48 40.43 1ubv n PHE 220 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1ubv h TYR 221 N -0.26 0.10 -0.44 1.38 3.20 -1.52 -3.07 116.97 116.35 1ubv h TYR 221 Ca 0.00 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1ubv h TYR 221 Cb 0.26 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.45 1ubv h TYR 221 CO -0.11 0.03 -0.06 1.25 -1.64 0.00 0.00 178.16 177.63 1ubv h LEU 222 N 0.16 -0.31 -0.16 2.82 5.85 -1.41 0.16 115.31 122.43 1ubv h LEU 222 Ca 0.12 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1ubv h LEU 222 Cb 0.12 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ubv h LEU 222 CO -0.16 -0.11 0.08 1.55 -0.34 0.00 0.00 178.44 179.47 1ubv h PRO 223 N 0.05 0.17 -0.10 5.25 0.13 -1.78 -0.66 132.00 135.05 1ubv h PRO 223 Ca 0.22 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1ubv h PRO 223 Cb 0.33 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 1ubv h PRO 223 CO -0.41 0.11 -0.01 0.28 -0.23 0.00 0.00 178.00 177.73 1ubv h VAL 224 N 0.17 1.28 -0.83 1.56 2.07 -1.45 -2.95 116.25 116.10 1ubv h VAL 224 Ca 0.06 -0.89 0.20 0.00 0.82 0.00 0.00 66.70 66.88 1ubv h VAL 224 Cb 0.01 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1ubv h VAL 224 CO -0.04 0.25 0.56 0.00 0.02 0.00 0.00 177.57 178.36 1ubv h ALA 225 N 0.70 2.33 -0.09 1.67 0.00 -0.51 -0.83 119.26 122.53 1ubv h ALA 225 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1ubv h ALA 225 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ubv h ALA 225 CO 0.01 -0.58 -0.51 0.00 0.00 0.00 0.00 179.25 178.17 1ubv h ALA 226 N 1.62 0.97 0.00 0.00 0.00 -0.95 -2.58 119.26 118.33 1ubv h ALA 226 Ca 0.42 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1ubv h ALA 226 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ubv h ALA 226 CO -0.12 0.66 -0.46 0.00 0.00 0.00 0.00 179.25 179.33 1ubv h ALA 227 N 1.28 0.70 0.44 0.00 0.00 -1.13 -1.98 119.26 118.57 1ubv h ALA 227 Ca 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1ubv h ALA 227 Cb 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ubv h ALA 227 CO 0.08 0.58 -0.21 0.52 0.00 0.00 0.00 179.25 180.22 1ubv h MET 228 N 0.00 -0.57 -0.08 0.00 2.86 -1.04 -1.84 114.93 114.26 1ubv h MET 228 Ca -0.00 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1ubv h MET 228 Cb 1.35 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1ubv h MET 228 CO 0.06 -0.28 0.07 1.88 1.06 0.00 0.00 176.91 179.70 1ubv h TYR 229 N -1.03 0.00 0.00 -0.22 0.05 -1.36 0.14 116.97 114.55 1ubv h TYR 229 Ca -0.06 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 1ubv h TYR 229 Cb 0.55 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 1ubv h TYR 229 CO 0.02 0.00 -0.27 0.52 -1.05 0.00 0.00 178.16 177.37 1ubv h MET 230 N 0.00 0.00 -0.19 4.88 2.86 -0.92 -2.37 114.93 119.18 1ubv h MET 230 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1ubv h MET 230 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1ubv h MET 230 CO -0.00 0.27 0.00 1.33 1.06 0.00 0.00 176.91 179.57 1ubv n VAL 231 N -3.27 0.24 0.00 -2.22 0.24 0.37 -4.91 118.33 108.78 1ubv n VAL 231 Ca 0.01 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1ubv n VAL 231 Cb 0.55 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 1ubv n VAL 231 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ubv n GLY 232 N 1.26 0.71 3.49 7.63 0.00 -0.78 -5.02 105.19 112.47 1ubv n GLY 232 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1ubv n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubv s ILE 233 N -2.00 4.25 -1.55 -0.61 1.01 -0.43 -4.62 121.20 117.26 1ubv s ILE 233 Ca 0.00 -0.56 0.13 0.00 0.00 0.00 0.00 60.65 60.22 1ubv s ILE 233 Cb 0.00 -4.80 0.09 0.00 0.01 0.00 0.00 42.46 37.76 1ubv s ILE 233 CO 0.00 -1.61 0.89 -0.90 0.00 0.00 0.00 174.94 173.32 1ubv n ASP 234 N 7.91 2.02 -4.62 3.58 5.68 -1.26 -2.98 116.55 126.87 1ubv n ASP 234 Ca 0.09 -1.51 -0.56 0.00 -0.50 0.00 0.00 54.79 52.31 1ubv n ASP 234 Cb 0.48 0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.41 1ubv n ASP 234 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1ubv n SER 235 N 0.67 1.49 -0.15 -1.12 2.88 -1.26 -4.84 113.62 111.28 1ubv n SER 235 Ca 0.07 1.12 -0.08 0.00 -1.33 0.00 0.00 58.87 58.65 1ubv n SER 235 Cb 0.31 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1ubv n SER 235 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ubv h LYS 236 N 5.01 0.62 0.00 -1.46 3.64 -1.99 -0.34 116.57 122.05 1ubv h LYS 236 Ca -0.48 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1ubv h LYS 236 Cb 1.35 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1ubv h LYS 236 CO 0.82 0.52 0.00 -1.91 -2.27 0.00 0.00 179.45 176.61 1ubv n GLU 237 N -4.68 0.65 -0.01 1.90 4.07 -1.26 -1.62 120.64 119.69 1ubv n GLU 237 Ca 0.01 0.02 -0.06 0.00 -0.06 0.00 0.00 57.16 57.06 1ubv n GLU 237 Cb 0.10 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 29.85 1ubv n GLU 237 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1ubv n GLU 238 N -1.11 0.63 0.24 5.31 4.07 -0.23 -2.28 120.64 127.28 1ubv n GLU 238 Ca 0.17 0.25 0.13 0.00 -0.06 0.00 0.00 57.16 57.65 1ubv n GLU 238 Cb 0.13 -1.77 0.56 0.00 -0.06 0.00 0.00 31.44 30.30 1ubv n GLU 238 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ubv h HIS 239 N 0.00 0.00 0.13 4.31 3.86 -0.46 -1.61 115.15 121.38 1ubv h HIS 239 Ca -0.27 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.66 1ubv h HIS 239 Cb 1.92 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.40 1ubv h HIS 239 CO 0.00 0.14 -1.23 0.93 0.86 0.00 0.00 177.93 178.63 1ubv h GLU 240 N 0.00 0.37 -0.85 2.45 4.39 -1.23 -0.16 114.58 119.54 1ubv h GLU 240 Ca -0.00 -0.56 -0.02 0.00 0.34 0.00 0.00 59.36 59.11 1ubv h GLU 240 Cb 0.64 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 1ubv h GLU 240 CO 0.02 1.25 0.44 -0.91 -1.16 0.00 0.00 179.01 178.65 1ubv h ASN 241 N 0.13 1.08 0.22 1.42 2.35 -1.00 -0.70 115.58 119.07 1ubv h ASN 241 Ca -0.15 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1ubv h ASN 241 Cb 1.93 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 40.03 1ubv h ASN 241 CO 0.21 0.89 -0.11 0.00 -1.65 0.00 0.00 177.43 176.78 1ubv h ALA 242 N 1.24 -0.29 -0.93 -0.83 0.00 -1.25 -2.77 119.26 114.43 1ubv h ALA 242 Ca 0.30 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.25 1ubv h ALA 242 Cb 0.07 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1ubv h ALA 242 CO -0.04 -0.58 0.60 -0.22 0.00 0.00 0.00 179.25 179.01 1ubv h LYS 243 N -0.47 0.63 -0.07 0.00 3.64 -0.70 -1.76 116.57 117.84 1ubv h LYS 243 Ca -0.03 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1ubv h LYS 243 Cb 0.36 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1ubv h LYS 243 CO 0.05 0.42 0.02 0.00 -2.27 0.00 0.00 179.45 177.67 1ubv h ALA 244 N 1.61 0.09 0.11 5.00 0.00 -0.85 -0.69 119.26 124.53 1ubv h ALA 244 Ca 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ubv h ALA 244 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ubv h ALA 244 CO -0.25 -0.30 -0.05 -0.84 0.00 0.00 0.00 179.25 177.81 1ubv h ILE 245 N -0.09 1.05 -0.51 0.00 -0.00 -1.32 -3.28 117.51 113.36 1ubv h ILE 245 Ca 0.02 -1.26 0.10 0.00 -0.00 0.00 0.00 64.86 63.73 1ubv h ILE 245 Cb 0.22 1.77 -0.09 0.00 -0.00 0.00 0.00 36.82 38.72 1ubv h ILE 245 CO -0.00 0.27 -0.05 -0.07 -0.00 0.00 0.00 178.15 178.31 1ubv h LEU 246 N -0.80 -0.31 -2.06 0.16 3.38 -1.36 0.23 115.31 114.55 1ubv h LEU 246 Ca -0.02 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1ubv h LEU 246 Cb 0.56 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1ubv h LEU 246 CO 0.02 -0.11 0.13 -0.07 0.09 0.00 0.00 178.44 178.50 1ubv h LEU 247 N 0.07 0.00 -0.76 1.67 3.38 -1.23 -0.03 115.31 118.42 1ubv h LEU 247 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1ubv h LEU 247 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1ubv h LEU 247 CO -0.47 0.00 -0.62 -0.08 0.09 0.00 0.00 178.44 177.37 1ubv h GLU 248 N 0.00 0.00 0.32 1.13 4.81 -0.62 -1.92 114.58 118.29 1ubv h GLU 248 Ca 0.08 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1ubv h GLU 248 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ubv h GLU 248 CO -0.00 0.62 -0.15 0.52 -0.73 0.00 0.00 179.01 179.26 1ubv h MET 249 N 0.00 -0.42 -0.89 1.92 2.86 -0.56 -1.98 114.93 115.86 1ubv h MET 249 Ca -0.01 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1ubv h MET 249 Cb 1.10 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.81 1ubv h MET 249 CO 0.08 -0.21 0.59 0.78 1.06 0.00 0.00 176.91 179.21 1ubv h GLY 250 N -0.54 1.25 0.71 8.32 0.00 -0.95 0.22 103.07 112.08 1ubv h GLY 250 Ca -0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1ubv h GLY 250 CO 0.07 0.46 -0.34 -2.09 0.00 0.00 0.00 176.54 174.64 1ubv h GLU 251 N 1.20 -0.92 -1.05 4.80 4.81 -1.23 -2.04 114.58 120.15 1ubv h GLU 251 Ca 0.33 0.06 0.29 0.00 -0.13 0.00 0.00 59.36 59.91 1ubv h GLU 251 Cb -0.14 0.21 -0.12 0.00 0.63 0.00 0.00 28.75 29.33 1ubv h GLU 251 CO -0.07 -0.62 0.65 -0.92 -0.73 0.00 0.00 179.01 177.32 1ubv h TYR 252 N -1.03 0.80 -0.15 0.92 5.03 -1.15 0.15 116.97 121.53 1ubv h TYR 252 Ca -0.10 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.24 1ubv h TYR 252 Cb 0.74 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 1ubv h TYR 252 CO 0.05 -0.01 0.09 0.35 -1.32 0.00 0.00 178.16 177.32 1ubv h PHE 253 N 0.40 0.20 0.19 -3.82 3.04 -0.23 -1.37 116.94 115.34 1ubv h PHE 253 Ca 0.66 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.61 1ubv h PHE 253 Cb 1.57 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.98 1ubv h PHE 253 CO -0.01 0.19 -0.42 0.37 -2.02 0.00 0.00 178.31 176.42 1ubv h GLN 254 N 0.16 -0.64 -0.92 1.11 5.75 -0.04 -1.67 115.11 118.86 1ubv h GLN 254 Ca 0.05 0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.80 1ubv h GLN 254 Cb 0.05 0.14 -0.17 0.00 1.07 0.00 0.00 27.48 28.57 1ubv h GLN 254 CO -0.01 -0.42 -0.15 0.82 -2.65 0.00 0.00 178.83 176.41 1ubv h ILE 255 N -0.66 0.09 -0.71 2.39 2.04 -1.04 0.39 117.51 120.01 1ubv h ILE 255 Ca -0.02 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1ubv h ILE 255 Cb 0.63 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1ubv h ILE 255 CO -0.18 0.00 0.42 -0.61 0.00 0.00 0.00 178.15 177.78 1ubv h GLN 256 N 0.01 0.97 0.40 2.37 4.15 -0.83 -0.61 115.11 121.58 1ubv h GLN 256 Ca 0.48 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 1ubv h GLN 256 Cb 0.80 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1ubv h GLN 256 CO -0.92 0.70 -0.36 0.22 -1.93 0.00 0.00 178.83 176.53 1ubv h ASP 257 N 0.97 -0.98 -0.81 -0.69 1.82 -0.06 0.17 116.42 116.84 1ubv h ASP 257 Ca 0.25 0.08 0.20 0.00 -0.39 0.00 0.00 57.03 57.17 1ubv h ASP 257 Cb -0.01 0.32 -0.13 0.00 0.68 0.00 0.00 39.33 40.19 1ubv h ASP 257 CO -0.05 -0.52 0.15 0.44 -1.61 0.00 0.00 179.24 177.66 1ubv h ASP 258 N -0.78 -0.10 0.46 2.28 3.32 -0.54 0.46 116.42 121.52 1ubv h ASP 258 Ca -0.03 0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1ubv h ASP 258 Cb 0.69 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1ubv h ASP 258 CO -0.04 -0.13 -0.22 0.22 -1.72 0.00 0.00 179.24 177.34 1ubv h TYR 259 N 0.19 -0.58 0.00 4.55 3.20 -0.54 -1.75 116.97 122.05 1ubv h TYR 259 Ca 0.48 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.34 1ubv h TYR 259 Cb 0.90 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1ubv h TYR 259 CO -0.31 -0.29 0.01 -0.07 -1.64 0.00 0.00 178.16 175.85 1ubv h LEU 260 N -0.78 0.00 -0.61 2.82 3.38 0.13 -1.18 115.31 119.07 1ubv h LEU 260 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ubv h LEU 260 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ubv h LEU 260 CO 0.10 0.00 0.37 -0.78 0.09 0.00 0.00 178.44 178.22 1ubv h ASP 261 N 0.00 0.73 0.00 -0.43 3.58 0.84 -3.15 116.42 117.98 1ubv h ASP 261 Ca 0.00 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 1ubv h ASP 261 Cb 0.01 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1ubv h ASP 261 CO 0.00 0.57 -1.31 0.00 -2.88 0.00 0.00 179.24 175.62 1ubv n PHE 263 N -2.64 0.73 -4.40 0.00 3.72 -0.49 -4.91 117.46 109.46 1ubv n PHE 263 Ca -0.10 -0.28 -0.20 0.00 -0.05 0.00 0.00 57.45 56.83 1ubv n PHE 263 Cb 0.60 -0.17 -0.10 0.00 -0.94 0.00 0.00 39.48 38.87 1ubv n PHE 263 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ubv s GLY 264 N -0.60 1.73 0.22 1.37 0.00 -1.19 -4.90 107.32 103.96 1ubv s GLY 264 Ca 0.23 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1ubv s GLY 264 CO 0.10 -1.80 0.00 1.34 0.00 0.00 0.00 173.10 172.74 1ubv n ASP 265 N -0.53 -1.98 -4.51 1.64 -0.08 -1.26 -4.91 116.55 104.92 1ubv n ASP 265 Ca -0.06 0.53 -0.20 0.00 -1.51 0.00 0.00 54.79 53.55 1ubv n ASP 265 Cb 0.63 2.05 -0.20 0.00 2.34 0.00 0.00 41.12 45.94 1ubv n ASP 265 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ubv n PRO 266 N -2.99 0.11 0.00 -0.67 -0.02 -1.26 -0.72 135.00 129.45 1ubv n PRO 266 Ca 0.00 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1ubv n PRO 266 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1ubv n PRO 266 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ubv n ALA 267 N 8.11 0.00 0.00 3.55 0.00 -1.26 -5.00 120.51 125.91 1ubv n ALA 267 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1ubv n ALA 267 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1ubv n ALA 267 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ubv n LEU 268 N 0.00 0.00 -2.39 0.00 7.99 0.10 -4.37 117.00 118.33 1ubv n LEU 268 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1ubv n LEU 268 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1ubv n LEU 268 CO 0.00 0.00 0.03 1.07 -1.51 0.00 0.00 177.39 176.98 1ubv n THR 269 N 0.00 0.00 -3.55 -5.08 5.66 -1.26 -4.45 114.28 105.59 1ubv n THR 269 Ca 0.00 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1ubv n THR 269 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ubv n THR 269 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ubv n GLY 270 N 1.75 0.71 2.97 1.09 0.00 -1.26 -4.85 105.19 105.59 1ubv n GLY 270 Ca 0.00 -0.83 -0.47 0.00 0.00 0.00 0.00 46.02 44.73 1ubv n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubv n ALA 271 N 8.44 0.22 -2.27 4.61 0.00 -1.26 -4.82 120.51 125.42 1ubv n ALA 271 Ca 0.00 0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1ubv n ALA 271 Cb 0.00 -1.91 0.02 0.00 0.00 0.00 0.00 19.45 17.56 1ubv n ALA 271 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ubv n VAL 272 N 6.10 4.04 0.00 0.00 3.14 -1.26 -4.92 118.33 125.43 1ubv n VAL 272 Ca 0.52 -4.94 0.00 0.00 -2.96 0.00 0.00 64.34 56.96 1ubv n VAL 272 Cb -0.01 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.43 1ubv n VAL 272 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ubv n GLY 273 N -0.38 0.70 0.87 7.55 0.00 -1.26 -5.04 105.19 107.63 1ubv n GLY 273 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1ubv n GLY 273 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ubv n THR 274 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.91 114.28 109.68 1ubv n THR 274 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1ubv n THR 274 Cb 0.00 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1ubv n THR 274 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ubv n ASP 275 N -0.45 0.00 0.00 8.00 -0.08 -1.26 -4.97 116.55 117.79 1ubv n ASP 275 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1ubv n ASP 275 Cb 0.13 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1ubv n ASP 275 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ubv n ILE 276 N -0.09 0.00 0.07 5.18 0.00 -1.26 -4.86 119.36 118.40 1ubv n ILE 276 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 62.75 62.59 1ubv n ILE 276 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 39.64 39.57 1ubv n ILE 276 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1ubv h GLN 277 N 0.00 0.47 -5.33 9.51 -0.00 -1.84 -2.10 115.11 115.82 1ubv h GLN 277 Ca 0.00 -0.53 -0.63 0.00 -0.00 0.00 0.00 58.65 57.49 1ubv h GLN 277 Cb 0.01 0.16 -0.14 0.00 -0.00 0.00 0.00 27.48 27.51 1ubv h GLN 277 CO 0.00 1.18 -0.01 -0.51 -0.00 0.00 0.00 178.83 179.49 1ubv s ASP 278 N -7.15 6.39 0.00 0.06 1.11 -1.26 -3.38 116.67 112.43 1ubv s ASP 278 Ca -0.07 0.27 -0.19 0.00 0.18 0.00 0.00 52.55 52.75 1ubv s ASP 278 Cb 0.08 -2.28 -0.23 0.00 1.07 0.00 0.00 42.92 41.56 1ubv s ASP 278 CO 0.88 -0.40 1.20 -3.20 1.18 0.00 0.00 175.17 174.84 1ubv n ASN 279 N 5.68 0.40 -4.53 0.27 5.15 -1.26 -4.82 115.26 116.16 1ubv n ASN 279 Ca -0.04 -1.93 -0.42 0.00 -0.60 0.00 0.00 54.58 51.59 1ubv n ASN 279 Cb 0.49 -0.38 -0.03 0.00 -0.53 0.00 0.00 39.78 39.33 1ubv n ASN 279 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1ubv s LYS 280 N 5.60 3.31 -0.79 1.20 -2.85 -1.26 -4.85 119.74 120.10 1ubv s LYS 280 Ca 0.41 -0.22 -0.23 0.00 -1.00 0.00 0.00 55.97 54.93 1ubv s LYS 280 Cb 0.09 -4.10 -0.18 0.00 -2.06 0.00 0.00 37.83 31.59 1ubv s LYS 280 CO 0.21 -1.73 2.41 0.00 0.10 0.00 0.00 175.35 176.35 1ubv s SER 282 N 8.69 3.97 0.34 0.00 1.04 -1.26 -5.01 113.70 121.46 1ubv s SER 282 Ca 1.10 -0.96 0.07 0.00 0.48 0.00 0.00 55.95 56.63 1ubv s SER 282 Cb -0.49 -0.48 0.74 0.00 0.10 0.00 0.00 66.02 65.89 1ubv s SER 282 CO 0.30 -0.08 1.88 -0.25 0.98 0.00 0.00 173.24 176.07 1ubv h TRP 283 N 2.03 0.89 0.71 5.02 7.01 -1.92 -0.97 115.95 128.71 1ubv h TRP 283 Ca -0.42 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.58 1ubv h TRP 283 Cb 1.25 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1ubv h TRP 283 CO 0.75 0.36 -0.43 -0.07 -2.79 0.00 0.00 178.44 176.26 1ubv h LEU 284 N 0.78 -1.08 -0.32 0.65 3.38 -1.92 0.17 115.31 116.96 1ubv h LEU 284 Ca 0.43 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.52 1ubv h LEU 284 Cb 0.58 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 1ubv h LEU 284 CO -0.20 -0.67 -0.47 0.58 0.09 0.00 0.00 178.44 177.78 1ubv h VAL 285 N -1.07 0.08 -0.86 1.22 2.07 -1.63 0.33 116.25 116.39 1ubv h VAL 285 Ca -0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1ubv h VAL 285 Cb 0.86 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1ubv h VAL 285 CO 0.09 0.00 0.50 0.58 0.02 0.00 0.00 177.57 178.76 1ubv h VAL 286 N -0.40 0.88 -0.19 2.57 2.07 -1.10 0.61 116.25 120.68 1ubv h VAL 286 Ca 0.10 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1ubv h VAL 286 Cb 0.61 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1ubv h VAL 286 CO -0.53 0.15 -0.12 -0.61 0.02 0.00 0.00 177.57 176.47 1ubv h GLN 287 N 0.80 0.31 0.39 1.57 5.75 0.20 -3.03 115.11 121.11 1ubv h GLN 287 Ca 0.43 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.84 1ubv h GLN 287 Cb 0.45 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1ubv h GLN 287 CO -0.27 0.44 -0.19 0.00 -2.65 0.00 0.00 178.83 176.16 1ubv h LEU 289 N -0.61 0.00 0.06 0.00 3.38 -1.35 1.04 115.31 117.84 1ubv h LEU 289 Ca -0.05 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 1ubv h LEU 289 Cb 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1ubv h LEU 289 CO 0.09 0.00 -2.04 0.00 0.09 0.00 0.00 178.44 176.58 1ubv n GLN 290 N -2.23 0.70 -0.87 1.13 6.02 -1.15 -4.08 117.38 116.90 1ubv n GLN 290 Ca -0.00 0.23 -0.16 0.00 -0.01 0.00 0.00 57.00 57.06 1ubv n GLN 290 Cb 0.85 -1.68 0.04 0.00 1.02 0.00 0.00 30.24 30.46 1ubv n GLN 290 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ubv n ARG 291 N -3.27 1.79 -3.49 -1.09 3.00 0.36 -4.95 116.66 109.01 1ubv n ARG 291 Ca -0.30 -1.56 -0.23 0.00 -0.01 0.00 0.00 57.85 55.75 1ubv n ARG 291 Cb 1.05 -1.61 0.02 0.00 0.00 0.00 0.00 32.46 31.92 1ubv n ARG 291 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1ubv n VAL 292 N 0.29 0.00 -4.12 1.55 3.14 -1.13 -4.99 118.33 113.06 1ubv n VAL 292 Ca 0.30 -2.04 -0.15 0.00 -2.96 0.00 0.00 64.34 59.48 1ubv n VAL 292 Cb 0.62 -0.20 -0.12 0.00 -1.06 0.00 0.00 33.84 33.08 1ubv n VAL 292 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1ubv s THR 293 N -2.61 0.74 0.49 1.55 -4.23 -1.26 -5.02 115.64 105.29 1ubv s THR 293 Ca 0.40 -1.08 0.23 0.00 -1.18 0.00 0.00 61.69 60.06 1ubv s THR 293 Cb -0.03 -0.75 0.40 0.00 1.34 0.00 0.00 72.50 73.46 1ubv s THR 293 CO 0.25 -0.27 1.93 1.55 -0.54 0.00 0.00 174.62 177.54 1ubv h PRO 294 N 4.57 0.16 0.24 3.99 0.13 -2.00 0.23 132.00 139.33 1ubv h PRO 294 Ca -0.37 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1ubv h PRO 294 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ubv h PRO 294 CO 0.41 0.11 -0.12 1.05 -0.23 0.00 0.00 178.00 179.23 1ubv h GLU 295 N 0.17 -0.31 -0.93 0.86 4.11 -1.99 -2.57 114.58 113.92 1ubv h GLU 295 Ca 0.35 0.02 0.26 0.00 0.07 0.00 0.00 59.36 60.06 1ubv h GLU 295 Cb 1.14 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 1ubv h GLU 295 CO -0.06 -0.21 0.41 1.96 0.07 0.00 0.00 179.01 181.18 1ubv h GLN 296 N -0.49 0.32 -0.96 1.06 4.20 -1.74 1.75 115.11 119.24 1ubv h GLN 296 Ca -0.03 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.83 1ubv h GLN 296 Cb 0.25 -0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.86 1ubv h GLN 296 CO 0.05 0.21 0.57 -0.09 -0.67 0.00 0.00 178.83 178.90 1ubv h ARG 297 N 0.33 0.73 -0.02 1.46 2.43 -0.62 0.46 114.38 119.16 1ubv h ARG 297 Ca 0.61 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.62 1ubv h ARG 297 Cb 1.26 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1ubv h ARG 297 CO -0.59 0.49 -0.53 1.96 -1.51 0.00 0.00 179.97 179.79 1ubv h GLN 298 N 0.76 0.05 0.20 0.20 1.08 0.30 0.52 115.11 118.22 1ubv h GLN 298 Ca 0.54 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.72 1ubv h GLN 298 Cb 0.78 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.18 1ubv h GLN 298 CO -0.36 0.57 -0.38 1.25 -0.95 0.00 0.00 178.83 178.95 1ubv h LEU 299 N 0.04 -1.10 0.00 1.46 6.46 0.82 -3.11 115.31 119.88 1ubv h LEU 299 Ca -0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1ubv h LEU 299 Cb 0.95 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 1ubv h LEU 299 CO 0.07 -0.48 0.00 0.18 -0.62 0.00 0.00 178.44 177.59 1ubv n LEU 300 N -5.46 0.00 0.00 2.25 4.77 -0.49 -3.19 117.00 114.89 1ubv n LEU 300 Ca -0.08 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1ubv n LEU 300 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ubv n LEU 300 CO 0.23 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.50 1ubv n GLU 301 N -0.29 0.00 0.00 3.23 4.07 0.18 0.89 120.64 128.72 1ubv n GLU 301 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ubv n GLU 301 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1ubv n GLU 301 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1ubv n ASP 302 N -2.05 0.00 0.05 4.31 8.00 -1.17 -4.58 116.55 121.11 1ubv n ASP 302 Ca 0.00 0.53 -0.04 0.00 0.71 0.00 0.00 54.79 55.99 1ubv n ASP 302 Cb 0.00 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.68 1ubv n ASP 302 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1ubv h ASN 303 N 0.00 -0.30 -0.67 -2.24 4.21 0.55 -3.46 115.58 113.67 1ubv h ASN 303 Ca 0.00 0.03 -0.58 0.00 1.21 0.00 0.00 56.30 56.96 1ubv h ASN 303 Cb 0.00 0.10 0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1ubv h ASN 303 CO 0.00 -0.13 0.40 0.00 -1.29 0.00 0.00 177.43 176.41 1ubv n TYR 304 N -2.97 1.07 0.00 1.19 4.19 -1.00 -2.32 117.16 117.32 1ubv n TYR 304 Ca -0.02 0.76 0.00 0.00 3.31 0.00 0.00 57.90 61.95 1ubv n TYR 304 Cb 0.09 -1.48 0.00 0.00 0.49 0.00 0.00 39.34 38.44 1ubv n TYR 304 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ubv n GLY 305 N 2.44 1.36 3.68 2.98 0.00 -0.79 -4.89 105.19 109.97 1ubv n GLY 305 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1ubv n GLY 305 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ubv s ARG 306 N -0.03 2.72 -0.53 1.61 3.00 -0.98 -4.50 118.95 120.24 1ubv s ARG 306 Ca 0.00 -0.67 -0.00 0.00 -1.00 0.00 0.00 55.73 54.05 1ubv s ARG 306 Cb 0.00 -2.63 0.43 0.00 0.00 0.00 0.00 34.95 32.75 1ubv s ARG 306 CO 0.00 0.60 1.97 1.17 0.00 0.00 0.00 175.30 179.05 1ubv n LYS 307 N 1.20 2.35 -3.41 5.12 4.81 -1.26 -4.09 118.16 122.87 1ubv n LYS 307 Ca -0.14 -2.75 -0.44 0.00 -0.87 0.00 0.00 58.31 54.12 1ubv n LYS 307 Cb 0.52 -2.08 -0.07 0.00 0.02 0.00 0.00 35.03 33.43 1ubv n LYS 307 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1ubv s GLU 308 N -3.15 2.86 0.10 1.64 2.56 -1.26 -5.01 118.70 116.44 1ubv s GLU 308 Ca 0.54 -1.55 -0.14 0.00 0.00 0.00 0.00 54.97 53.81 1ubv s GLU 308 Cb 0.43 -4.11 0.03 0.00 2.00 0.00 0.00 34.13 32.47 1ubv s GLU 308 CO 0.02 -1.15 0.87 -2.30 -0.56 0.00 0.00 175.26 172.14 1ubv n PRO 309 N 5.14 -0.20 0.19 4.30 -0.02 -1.26 -0.05 135.00 143.09 1ubv n PRO 309 Ca -0.12 0.85 -0.15 0.00 -2.02 0.00 0.00 63.50 62.07 1ubv n PRO 309 Cb 0.42 -1.26 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 1ubv n PRO 309 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ubv h GLU 310 N 0.00 -0.40 -0.25 -0.52 4.22 -1.99 -2.54 114.58 113.10 1ubv h GLU 310 Ca 0.13 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.64 1ubv h GLU 310 Cb 0.27 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1ubv h GLU 310 CO -0.54 -0.25 -0.51 0.87 -2.18 0.00 0.00 179.01 176.40 1ubv h LYS 311 N -0.43 -0.46 -0.60 1.92 1.57 -0.87 -1.85 116.57 115.86 1ubv h LYS 311 Ca -0.04 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1ubv h LYS 311 Cb 0.33 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 1ubv h LYS 311 CO 0.07 -0.31 -0.49 0.28 -0.57 0.00 0.00 179.45 178.43 1ubv h VAL 312 N -0.48 0.00 -0.86 0.50 2.07 -1.34 0.14 116.25 116.28 1ubv h VAL 312 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 1ubv h VAL 312 Cb 0.64 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.29 1ubv h VAL 312 CO -0.50 0.00 -0.53 0.00 0.02 0.00 0.00 177.57 176.56 1ubv h ALA 313 N 0.02 -0.42 -0.72 1.67 0.00 -1.00 0.13 119.26 118.94 1ubv h ALA 313 Ca 0.10 0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.29 1ubv h ALA 313 Cb 0.43 1.22 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 1ubv h ALA 313 CO -0.65 -0.90 0.17 -0.22 0.00 0.00 0.00 179.25 177.65 1ubv h LYS 314 N -0.09 0.26 -0.68 0.00 1.63 0.01 0.16 116.57 117.87 1ubv h LYS 314 Ca 0.19 -0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.11 1ubv h LYS 314 Cb 0.49 -0.06 -0.10 0.00 -0.60 0.00 0.00 32.23 31.97 1ubv h LYS 314 CO -0.87 0.17 0.17 0.28 -3.45 0.00 0.00 179.45 175.75 1ubv h VAL 315 N 0.27 0.59 0.00 2.00 2.07 0.10 0.28 116.25 121.56 1ubv h VAL 315 Ca 0.40 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.76 1ubv h VAL 315 Cb 0.67 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1ubv h VAL 315 CO -0.50 0.05 -0.29 0.11 0.02 0.00 0.00 177.57 176.96 1ubv h LYS 316 N 0.29 0.00 -0.03 1.57 1.79 0.17 -1.31 116.57 119.05 1ubv h LYS 316 Ca 0.37 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.87 1ubv h LYS 316 Cb 0.58 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.19 1ubv h LYS 316 CO -0.45 0.29 -0.18 1.49 -1.08 0.00 0.00 179.45 179.53 1ubv h GLU 317 N 0.00 -0.27 -0.46 3.15 4.81 0.83 0.36 114.58 123.00 1ubv h GLU 317 Ca -0.00 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1ubv h GLU 317 Cb 0.90 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.24 1ubv h GLU 317 CO 0.04 -0.18 -0.34 1.25 -0.73 0.00 0.00 179.01 179.05 1ubv h LEU 318 N -0.28 -1.14 -0.89 1.64 6.46 -0.35 6.62 115.31 127.38 1ubv h LEU 318 Ca 0.06 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1ubv h LEU 318 Cb 0.36 0.54 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 1ubv h LEU 318 CO -0.19 -0.32 0.53 1.88 -0.62 0.00 0.00 178.44 179.72 1ubv h TYR 319 N -0.23 1.17 -0.13 1.25 0.05 -0.12 0.73 116.97 119.69 1ubv h TYR 319 Ca 0.19 -0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.74 1ubv h TYR 319 Cb 0.55 -0.38 0.01 0.00 1.01 0.00 0.00 36.73 37.91 1ubv h TYR 319 CO -0.58 0.78 -0.79 0.93 -1.05 0.00 0.00 178.16 177.45 1ubv h GLU 320 N 1.22 0.71 -0.50 4.88 5.08 0.23 0.33 114.58 126.54 1ubv h GLU 320 Ca 0.32 -0.59 0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1ubv h GLU 320 Cb -0.05 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 1ubv h GLU 320 CO -0.06 1.20 -0.15 0.00 -1.00 0.00 0.00 179.01 179.01 1ubv h ALA 321 N 0.62 0.28 -0.00 3.43 0.00 1.51 0.14 119.26 125.25 1ubv h ALA 321 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ubv h ALA 321 Cb 1.41 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ubv h ALA 321 CO 0.16 -0.47 -0.23 0.28 0.00 0.00 0.00 179.25 178.99 1ubv n VAL 322 N -5.38 0.00 -2.42 0.00 0.31 0.24 -5.00 118.33 106.08 1ubv n VAL 322 Ca 0.04 -0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1ubv n VAL 322 Cb 0.28 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1ubv n VAL 322 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubv n GLY 323 N 1.44 -0.92 0.15 2.92 0.00 0.10 -4.94 105.19 103.95 1ubv n GLY 323 Ca 0.08 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.54 1ubv n GLY 323 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ubv h MET 324 N 0.48 0.00 -0.78 1.61 2.86 -1.44 -3.20 114.93 114.47 1ubv h MET 324 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1ubv h MET 324 Cb 0.91 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.50 1ubv h MET 324 CO 0.17 0.00 0.42 0.00 1.06 0.00 0.00 176.91 178.56 1ubv h ARG 325 N 0.00 0.69 0.29 1.72 3.08 -1.92 -0.92 114.38 117.33 1ubv h ARG 325 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ubv h ARG 325 Cb 0.99 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1ubv h ARG 325 CO 0.00 0.46 -0.14 0.00 -1.07 0.00 0.00 179.97 179.22 1ubv h ALA 326 N 1.45 -0.40 -0.99 0.04 0.00 -1.94 -3.17 119.26 114.25 1ubv h ALA 326 Ca 0.38 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.37 1ubv h ALA 326 Cb 0.37 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1ubv h ALA 326 CO -0.26 -0.54 0.69 0.00 0.00 0.00 0.00 179.25 179.15 1ubv h ALA 327 N -0.23 2.70 0.43 0.00 0.00 -1.56 0.70 119.26 121.30 1ubv h ALA 327 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ubv h ALA 327 Cb 0.50 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ubv h ALA 327 CO 0.07 -1.00 -0.20 0.35 0.00 0.00 0.00 179.25 178.46 1ubv h PHE 328 N 0.14 -0.53 -0.58 0.00 3.57 -1.15 -0.22 116.94 118.16 1ubv h PHE 328 Ca 0.49 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.09 1ubv h PHE 328 Cb 1.71 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.59 1ubv h PHE 328 CO -0.00 -0.23 0.40 1.96 -2.23 0.00 0.00 178.31 178.21 1ubv h GLN 329 N -0.80 0.35 -0.04 1.11 4.20 -1.08 0.43 115.11 119.28 1ubv h GLN 329 Ca -0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1ubv h GLN 329 Cb 0.54 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1ubv h GLN 329 CO 0.10 0.23 0.03 1.96 -0.67 0.00 0.00 178.83 180.47 1ubv h GLN 330 N 0.36 0.06 -0.19 1.46 1.08 -0.51 -2.11 115.11 115.25 1ubv h GLN 330 Ca 0.27 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1ubv h GLN 330 Cb 0.59 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1ubv h GLN 330 CO -0.07 0.09 -0.05 -0.92 -0.95 0.00 0.00 178.83 176.93 1ubv h TYR 331 N 0.01 0.42 -0.60 2.96 5.03 0.10 -3.03 116.97 121.87 1ubv h TYR 331 Ca 0.02 -0.09 0.11 0.00 2.58 0.00 0.00 58.73 61.35 1ubv h TYR 331 Cb 0.04 -0.10 -0.12 0.00 1.55 0.00 0.00 36.73 38.11 1ubv h TYR 331 CO -0.06 0.63 -0.26 1.49 -1.32 0.00 0.00 178.16 178.64 1ubv h GLU 332 N 0.09 -0.10 0.00 1.82 4.81 -0.27 0.17 114.58 121.11 1ubv h GLU 332 Ca 0.05 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1ubv h GLU 332 Cb 0.50 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ubv h GLU 332 CO 0.02 -0.07 0.00 -0.85 -0.73 0.00 0.00 179.01 177.38 1ubv n GLU 333 N -5.44 0.02 -0.09 1.92 0.28 -0.80 -2.21 120.64 114.32 1ubv n GLU 333 Ca 0.06 0.28 -0.17 0.00 -0.16 0.00 0.00 57.16 57.16 1ubv n GLU 333 Cb 0.35 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.65 1ubv n GLU 333 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1ubv n SER 334 N -1.30 1.70 -0.30 -1.84 2.88 0.50 -4.28 113.62 110.98 1ubv n SER 334 Ca 0.01 0.13 0.10 0.00 -1.33 0.00 0.00 58.87 57.78 1ubv n SER 334 Cb 0.02 -0.46 0.27 0.00 -0.75 0.00 0.00 64.21 63.28 1ubv n SER 334 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ubv h SER 335 N -0.46 0.43 0.88 -3.46 4.64 -0.77 -0.37 113.55 114.43 1ubv h SER 335 Ca -0.44 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 1ubv h SER 335 Cb 1.46 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1ubv h SER 335 CO -0.22 0.11 -0.46 0.22 -0.87 0.00 0.00 176.83 175.60 1ubv h TYR 336 N 0.51 -1.22 -0.01 4.77 3.20 -1.73 -0.78 116.97 121.71 1ubv h TYR 336 Ca 0.52 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.37 1ubv h TYR 336 Cb 0.87 0.42 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 1ubv h TYR 336 CO -0.11 -0.73 -0.01 -0.09 -1.64 0.00 0.00 178.16 175.58 1ubv h ARG 337 N -1.24 -0.00 -1.40 1.82 2.43 -1.41 0.81 114.38 115.39 1ubv h ARG 337 Ca -0.12 0.00 0.45 0.00 -0.81 0.00 0.00 59.98 59.50 1ubv h ARG 337 Cb 0.96 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.40 1ubv h ARG 337 CO 0.17 -0.00 0.93 -0.09 -1.51 0.00 0.00 179.97 179.46 1ubv h ARG 338 N -0.00 0.07 0.64 0.20 2.43 -1.12 0.38 114.38 116.98 1ubv h ARG 338 Ca 0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1ubv h ARG 338 Cb 0.01 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1ubv h ARG 338 CO -0.01 0.05 -0.31 1.25 -1.51 0.00 0.00 179.97 179.44 1ubv h LEU 339 N 0.08 -0.73 -1.81 3.80 5.85 0.63 0.35 115.31 123.48 1ubv h LEU 339 Ca 0.82 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.70 1ubv h LEU 339 Cb 2.70 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 43.90 1ubv h LEU 339 CO -0.34 -0.37 0.56 1.56 -0.34 0.00 0.00 178.44 179.51 1ubv h GLN 340 N -1.17 0.00 0.00 1.25 7.50 0.13 0.56 115.11 123.39 1ubv h GLN 340 Ca -0.09 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.06 1ubv h GLN 340 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.19 1ubv h GLN 340 CO 0.15 0.00 -0.00 0.93 -1.50 0.00 0.00 178.83 178.40 1ubv h GLU 341 N 0.00 -0.00 -1.62 1.46 4.39 -0.98 -3.10 114.58 114.72 1ubv h GLU 341 Ca 0.22 0.00 0.47 0.00 0.34 0.00 0.00 59.36 60.39 1ubv h GLU 341 Cb 1.35 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.93 1ubv h GLU 341 CO -0.00 -0.00 1.22 -0.07 -1.16 0.00 0.00 179.01 179.00 1ubv h LEU 342 N -0.93 0.00 0.58 1.33 3.38 0.79 2.78 115.31 123.25 1ubv h LEU 342 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ubv h LEU 342 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ubv h LEU 342 CO 0.00 0.00 -0.28 0.40 0.09 0.00 0.00 178.44 178.65 1ubv h ILE 343 N 0.00 0.34 -0.19 1.22 1.08 0.03 -0.07 117.51 119.92 1ubv h ILE 343 Ca 0.77 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 65.01 1ubv h ILE 343 Cb 3.21 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 37.32 1ubv h ILE 343 CO -0.01 0.03 -0.54 -0.33 -0.69 0.00 0.00 178.15 176.61 1ubv h GLU 344 N -0.98 -0.53 -0.25 2.37 4.39 0.48 2.04 114.58 122.10 1ubv h GLU 344 Ca -0.08 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1ubv h GLU 344 Cb 0.66 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1ubv h GLU 344 CO 0.13 -0.35 0.30 -0.22 -1.16 0.00 0.00 179.01 177.72 1ubv h LYS 345 N -0.55 0.00 0.00 2.33 3.64 -0.65 -3.25 116.57 118.09 1ubv h LYS 345 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ubv h LYS 345 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1ubv h LYS 345 CO -0.47 0.00 -0.62 0.72 -2.27 0.00 0.00 179.45 176.82 1ubv n HIS 346 N -3.68 0.00 -0.11 1.91 8.25 0.74 -4.69 115.22 117.64 1ubv n HIS 346 Ca 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 1ubv n HIS 346 Cb 0.44 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.59 1ubv n HIS 346 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ubv n SER 347 N -1.32 3.97 0.38 0.41 7.64 0.66 -4.49 113.62 120.86 1ubv n SER 347 Ca -0.00 -2.73 -0.15 0.00 1.01 0.00 0.00 58.87 57.00 1ubv n SER 347 Cb 0.04 -0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 1ubv n SER 347 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1ubv h ASN 348 N 0.63 -0.87 0.61 6.43 2.35 -1.80 -3.35 115.58 119.58 1ubv h ASN 348 Ca 0.26 0.03 -0.27 0.00 -0.55 0.00 0.00 56.30 55.77 1ubv h ASN 348 Cb 1.58 0.23 -0.05 0.00 0.05 0.00 0.00 38.32 40.14 1ubv h ASN 348 CO 0.50 -0.59 -1.54 -0.09 -1.65 0.00 0.00 177.43 174.05 1ubv h ARG 349 N -0.97 0.00 -5.98 0.81 2.43 -1.98 -3.47 114.38 105.21 1ubv h ARG 349 Ca -0.10 -0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.43 1ubv h ARG 349 Cb 0.75 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.23 1ubv h ARG 349 CO 0.15 0.61 -0.55 -0.51 -1.51 0.00 0.00 179.97 178.16 1ubv s LEU 350 N -6.23 4.07 -0.15 3.80 1.43 -1.26 -5.04 118.68 115.30 1ubv s LEU 350 Ca -0.03 0.18 -0.33 0.00 -1.03 0.00 0.00 54.13 52.92 1ubv s LEU 350 Cb 0.08 -2.53 -0.10 0.00 0.03 0.00 0.00 46.19 43.68 1ubv s LEU 350 CO 0.82 0.23 2.02 -0.81 0.23 0.00 0.00 176.35 178.84 1ubv n PRO 351 N 0.81 1.99 -0.00 1.29 -0.04 -1.26 -4.72 135.00 133.07 1ubv n PRO 351 Ca -0.10 0.67 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 1ubv n PRO 351 Cb 0.52 -2.77 0.54 0.00 -0.04 0.00 0.00 33.50 31.75 1ubv n PRO 351 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ubv h LYS 352 N 11.13 0.30 -1.05 0.54 1.57 -1.96 -1.94 116.57 125.15 1ubv h LYS 352 Ca -0.43 -0.02 0.31 0.00 -1.87 0.00 0.00 60.65 58.64 1ubv h LYS 352 Cb 1.27 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 1ubv h LYS 352 CO 0.96 0.20 0.64 0.93 -0.57 0.00 0.00 179.45 181.61 1ubv h GLU 353 N 0.31 0.35 0.20 3.15 4.39 -1.99 -1.36 114.58 119.64 1ubv h GLU 353 Ca 0.21 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1ubv h GLU 353 Cb 0.44 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1ubv h GLU 353 CO -0.05 0.23 -0.45 0.82 -1.16 0.00 0.00 179.01 178.40 1ubv h ILE 354 N 0.36 0.11 -0.79 3.13 2.04 -1.74 -0.51 117.51 120.11 1ubv h ILE 354 Ca 0.70 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.55 1ubv h ILE 354 Cb 1.66 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1ubv h ILE 354 CO -0.48 0.00 0.45 -0.26 0.00 0.00 0.00 178.15 177.85 1ubv h PHE 355 N -0.74 1.05 0.63 1.37 0.04 -1.44 -1.15 116.94 116.69 1ubv h PHE 355 Ca -0.00 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1ubv h PHE 355 Cb 0.73 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 38.55 1ubv h PHE 355 CO -0.35 0.72 -0.30 -0.07 -0.60 0.00 0.00 178.31 177.70 1ubv h LEU 356 N 1.09 -0.71 -0.29 1.54 3.38 -1.01 0.35 115.31 119.66 1ubv h LEU 356 Ca 0.28 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.30 1ubv h LEU 356 Cb -0.00 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1ubv h LEU 356 CO -0.05 -0.41 -0.26 1.23 0.09 0.00 0.00 178.44 179.04 1ubv h GLY 357 N -1.00 -0.16 0.31 0.83 0.00 -1.01 2.16 103.07 104.21 1ubv h GLY 357 Ca -0.09 0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.63 1ubv h GLY 357 CO 0.14 -0.20 -0.11 -2.00 0.00 0.00 0.00 176.54 174.37 1ubv h LEU 358 N -0.24 -0.38 -0.49 3.11 5.85 -1.17 -2.31 115.31 119.68 1ubv h LEU 358 Ca 0.15 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1ubv h LEU 358 Cb 0.48 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1ubv h LEU 358 CO -0.43 -0.14 0.05 0.00 -0.34 0.00 0.00 178.44 177.58 1ubv h ALA 359 N 1.24 0.66 0.00 1.25 0.00 0.21 -2.87 119.26 119.75 1ubv h ALA 359 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ubv h ALA 359 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ubv h ALA 359 CO -0.34 0.42 0.01 0.94 0.00 0.00 0.00 179.25 180.29 1ubv n GLN 360 N -4.38 0.00 -0.14 0.00 0.00 0.71 -0.68 117.38 112.89 1ubv n GLN 360 Ca 0.01 0.12 0.03 0.00 -0.00 0.00 0.00 57.00 57.16 1ubv n GLN 360 Cb 0.28 -1.51 0.04 0.00 0.00 0.00 0.00 30.24 29.05 1ubv n GLN 360 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ubv n LYS 361 N -1.08 1.19 -0.04 3.69 2.85 -1.08 -4.69 118.16 119.00 1ubv n LYS 361 Ca 0.00 -1.54 -0.09 0.00 -1.05 0.00 0.00 58.31 55.63 1ubv n LYS 361 Cb 0.01 -0.95 -0.03 0.00 -0.65 0.00 0.00 35.03 33.42 1ubv n LYS 361 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1ubv n ILE 362 N -0.59 0.79 0.32 0.58 2.08 0.14 -4.76 119.36 117.93 1ubv n ILE 362 Ca 0.05 -0.02 0.03 0.00 0.56 0.00 0.00 62.75 63.38 1ubv n ILE 362 Cb 0.53 -1.71 0.17 0.00 -0.75 0.00 0.00 39.64 37.88 1ubv n ILE 362 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1ubv n TYR 363 N -3.58 0.00 0.00 1.39 4.02 -0.84 -4.47 117.16 113.68 1ubv n TYR 363 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1ubv n TYR 363 Cb 0.52 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1ubv n TYR 363 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ubv n LYS 364 N -1.23 0.00 -0.25 -0.72 5.02 -1.26 -4.85 118.16 114.86 1ubv n LYS 364 Ca 0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 1ubv n LYS 364 Cb 0.05 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.05 1ubv n LYS 364 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ubv n ARG 365 N -2.89 -0.63 -3.16 1.97 0.00 -1.26 -4.97 116.66 105.72 1ubv n ARG 365 Ca 0.00 0.50 -0.05 0.00 -0.00 0.00 0.00 57.85 58.30 1ubv n ARG 365 Cb 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 32.46 31.77 1ubv n ARG 365 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1ubv s GLN 366 N -3.73 0.84 0.00 -0.14 -0.44 -1.26 -5.19 119.66 109.73 1ubv s GLN 366 Ca 0.00 -0.65 0.00 0.00 -2.50 0.00 0.00 55.36 52.21 1ubv s GLN 366 Cb 0.00 -0.19 0.00 0.00 -1.64 0.00 0.00 33.01 31.18 1ubv s GLN 366 CO 0.00 -1.23 0.00 1.17 0.50 0.00 0.00 175.29 175.73