#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt8 h HIS -1 N 0.00 -0.26 0.00 1.57 2.76 -2.05 -1.67 115.15 115.50 2qt8 h HIS -1 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2qt8 h HIS -1 Cb 0.00 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2qt8 h HIS -1 CO 0.00 0.02 0.00 0.72 -1.30 0.00 0.00 177.93 177.37 2qt8 n HIS 0 N -5.10 0.00 0.00 5.26 -0.00 -1.26 -1.90 115.22 112.22 2qt8 n HIS 0 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2qt8 n HIS 0 Cb 0.21 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 2qt8 n HIS 0 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2qt8 n SER 2 N 0.68 0.00 -0.01 0.41 2.88 -0.63 -0.92 113.62 116.04 2qt8 n SER 2 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2qt8 n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2qt8 n SER 2 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2qt8 h LEU 3 N 0.00 0.09 -0.29 2.46 6.46 -1.65 -2.16 115.31 120.22 2qt8 h LEU 3 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2qt8 h LEU 3 Cb 0.00 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 2qt8 h LEU 3 CO 0.00 0.07 0.14 0.00 -0.62 0.00 0.00 178.44 178.03 2qt8 h ALA 4 N 1.06 0.38 -0.97 1.25 0.00 -1.29 -2.63 119.26 117.06 2qt8 h ALA 4 Ca 0.05 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2qt8 h ALA 4 Cb 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2qt8 h ALA 4 CO -0.03 -0.05 0.62 0.28 0.00 0.00 0.00 179.25 180.07 2qt8 h VAL 5 N 0.34 0.97 -0.60 0.00 2.07 -1.79 -1.58 116.25 115.66 2qt8 h VAL 5 Ca 0.10 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 2qt8 h VAL 5 Cb 0.13 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 2qt8 h VAL 5 CO -0.01 0.18 0.03 -0.08 0.02 0.00 0.00 177.57 177.71 2qt8 h GLU 6 N 1.00 1.01 -0.81 1.57 4.81 -1.08 -1.34 114.58 119.74 2qt8 h GLU 6 Ca 0.45 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2qt8 h GLU 6 Cb 0.39 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2qt8 h GLU 6 CO -0.21 0.97 0.52 0.00 -0.73 0.00 0.00 179.01 179.56 2qt8 h ALA 7 N 1.09 1.40 -0.24 2.92 0.00 -0.97 -0.86 119.26 122.59 2qt8 h ALA 7 Ca 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2qt8 h ALA 7 Cb 0.50 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qt8 h ALA 7 CO 0.02 0.55 -0.01 0.28 0.00 0.00 0.00 179.25 180.09 2qt8 h VAL 8 N 1.11 1.26 -0.29 0.00 2.07 -0.88 -1.67 116.25 117.84 2qt8 h VAL 8 Ca 0.30 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2qt8 h VAL 8 Cb -0.10 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2qt8 h VAL 8 CO -0.06 0.29 0.06 0.50 0.02 0.00 0.00 177.57 178.38 2qt8 h LYS 9 N 0.20 0.16 -0.55 1.57 3.64 -0.95 -0.50 116.57 120.14 2qt8 h LYS 9 Ca 0.07 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2qt8 h LYS 9 Cb 0.43 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2qt8 h LYS 9 CO 0.01 0.11 0.29 -0.44 -2.27 0.00 0.00 179.45 177.15 2qt8 h ASP 10 N 0.17 0.43 -0.57 4.20 3.45 -1.08 -0.93 116.42 122.07 2qt8 h ASP 10 Ca 0.14 0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.64 2qt8 h ASP 10 Cb 0.14 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 38.82 2qt8 h ASP 10 CO -0.18 0.29 0.35 0.15 -1.57 0.00 0.00 179.24 178.29 2qt8 h PHE 11 N 0.56 0.66 -0.39 4.55 3.57 -0.86 -2.43 116.94 122.60 2qt8 h PHE 11 Ca 0.24 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 2qt8 h PHE 11 Cb 0.14 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2qt8 h PHE 11 CO -0.09 0.39 0.05 -0.07 -2.23 0.00 0.00 178.31 176.35 2qt8 h LEU 12 N 0.70 0.64 -0.72 0.59 3.38 -0.38 0.72 115.31 120.24 2qt8 h LEU 12 Ca 0.23 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qt8 h LEU 12 Cb 0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2qt8 h LEU 12 CO -0.09 0.75 0.46 -0.07 0.09 0.00 0.00 178.44 179.58 2qt8 h LEU 13 N 0.50 0.84 -0.57 1.67 3.38 -1.13 -0.59 115.31 119.41 2qt8 h LEU 13 Ca 0.12 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2qt8 h LEU 13 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qt8 h LEU 13 CO 0.01 0.63 -0.39 0.50 0.09 0.00 0.00 178.44 179.29 2qt8 h LYS 14 N 0.98 0.71 -0.41 1.13 3.64 -1.28 -2.24 116.57 119.10 2qt8 h LYS 14 Ca 0.26 -0.36 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2qt8 h LYS 14 Cb -0.08 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2qt8 h LYS 14 CO -0.05 0.98 0.27 1.25 -2.27 0.00 0.00 179.45 179.62 2qt8 h LEU 15 N 0.59 0.46 -0.26 5.20 5.85 -0.41 0.90 115.31 127.63 2qt8 h LEU 15 Ca 0.05 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2qt8 h LEU 15 Cb 0.92 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2qt8 h LEU 15 CO 0.08 0.33 0.05 -0.61 -0.34 0.00 0.00 178.44 177.96 2qt8 h GLN 16 N 0.55 0.15 -0.39 1.25 4.15 -1.00 -0.16 115.11 119.65 2qt8 h GLN 16 Ca 0.15 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.61 2qt8 h GLN 16 Cb -0.05 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 2qt8 h GLN 16 CO -0.04 0.10 0.15 -0.44 -1.93 0.00 0.00 178.83 176.67 2qt8 h ASP 17 N 0.15 0.19 -0.41 -0.69 3.32 -1.04 -1.40 116.42 116.54 2qt8 h ASP 17 Ca 0.12 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 2qt8 h ASP 17 Cb 0.12 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2qt8 h ASP 17 CO -0.16 0.14 -0.24 0.44 -1.72 0.00 0.00 179.24 177.71 2qt8 h ASP 18 N 0.32 0.91 -0.29 6.45 3.32 -0.48 -0.52 116.42 126.12 2qt8 h ASP 18 Ca 0.18 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 2qt8 h ASP 18 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2qt8 h ASP 18 CO -0.17 1.13 0.05 0.40 -1.72 0.00 0.00 179.24 178.93 2qt8 h ILE 19 N 0.69 1.23 -0.72 0.35 2.04 -0.95 -1.26 117.51 118.89 2qt8 h ILE 19 Ca 0.09 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.16 2qt8 h ILE 19 Cb 0.81 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 2qt8 h ILE 19 CO 0.07 0.26 0.47 0.00 0.00 0.00 0.00 178.15 178.95 2qt8 h GLU 21 N 0.95 0.24 -0.87 0.00 4.81 -0.96 -0.42 114.58 118.34 2qt8 h GLU 21 Ca 0.27 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2qt8 h GLU 21 Cb -0.08 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 2qt8 h GLU 21 CO -0.07 0.16 0.52 0.00 -0.73 0.00 0.00 179.01 178.89 2qt8 h ALA 22 N 1.08 1.11 -0.18 2.92 0.00 -0.93 -1.43 119.26 121.83 2qt8 h ALA 22 Ca 0.07 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2qt8 h ALA 22 Cb -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.43 2qt8 h ALA 22 CO -0.02 0.57 -0.71 -0.07 0.00 0.00 0.00 179.25 179.01 2qt8 h LEU 23 N 1.19 0.88 -1.02 0.00 3.38 -1.13 -2.54 115.31 116.08 2qt8 h LEU 23 Ca 0.31 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2qt8 h LEU 23 Cb -0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 2qt8 h LEU 23 CO -0.06 1.34 0.62 -0.33 0.09 0.00 0.00 178.44 180.11 2qt8 h GLU 24 N 0.53 1.29 -0.77 1.13 5.08 -0.90 -1.60 114.58 119.34 2qt8 h GLU 24 Ca -0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2qt8 h GLU 24 Cb 1.33 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2qt8 h GLU 24 CO 0.15 0.87 0.33 0.00 -1.00 0.00 0.00 179.01 179.35 2qt8 h ALA 25 N 1.37 1.13 -0.21 3.43 0.00 -1.14 -0.41 119.26 123.44 2qt8 h ALA 25 Ca 0.35 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2qt8 h ALA 25 Cb -0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 2qt8 h ALA 25 CO -0.07 0.63 -0.49 0.93 0.00 0.00 0.00 179.25 180.26 2qt8 h GLU 26 N 1.11 0.57 0.19 0.00 4.39 -1.08 -3.34 114.58 116.43 2qt8 h GLU 26 Ca 0.26 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2qt8 h GLU 26 Cb 0.17 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2qt8 h GLU 26 CO -0.03 0.93 -0.09 0.22 -1.16 0.00 0.00 179.01 178.88 2qt8 h ASP 27 N 0.45 -0.22 0.00 1.42 1.82 -1.07 -3.46 116.42 115.37 2qt8 h ASP 27 Ca 0.02 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2qt8 h ASP 27 Cb 1.01 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2qt8 h ASP 27 CO 0.09 0.32 0.00 0.61 -1.61 0.00 0.00 179.24 178.65 2qt8 n GLY 28 N 0.89 2.58 0.74 -0.78 0.00 -0.18 -4.52 105.19 103.93 2qt8 n GLY 28 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2qt8 n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qt8 n GLN 29 N -2.00 0.17 -3.11 1.61 7.27 -1.26 -5.05 117.38 115.01 2qt8 n GLN 29 Ca 0.00 0.07 -0.24 0.00 0.07 0.00 0.00 57.00 56.90 2qt8 n GLN 29 Cb 0.00 -0.80 0.00 0.00 2.41 0.00 0.00 30.24 31.85 2qt8 n GLN 29 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2qt8 s ALA 30 N -2.28 3.68 0.12 1.69 0.00 -1.26 -4.99 121.76 118.73 2qt8 s ALA 30 Ca -0.10 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2qt8 s ALA 30 Cb 0.02 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 2qt8 s ALA 30 CO 0.14 -0.22 -0.09 0.95 0.00 0.00 0.00 175.76 176.53 2qt8 s THR 31 N -2.48 0.96 0.23 0.00 -4.23 -1.26 -4.83 115.64 104.03 2qt8 s THR 31 Ca 0.45 -1.91 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 2qt8 s THR 31 Cb -0.10 -1.66 -0.09 0.00 1.34 0.00 0.00 72.50 71.99 2qt8 s THR 31 CO 0.38 -0.74 1.21 -0.36 -0.54 0.00 0.00 174.62 174.57 2qt8 s PHE 32 N -3.18 3.38 -0.17 3.99 0.08 -1.26 -4.69 117.98 116.13 2qt8 s PHE 32 Ca 0.12 1.45 -0.06 0.00 0.12 0.00 0.00 56.93 58.56 2qt8 s PHE 32 Cb 0.02 -3.46 -0.04 0.00 -0.57 0.00 0.00 43.02 38.97 2qt8 s PHE 32 CO -0.01 -1.26 0.03 0.08 -0.10 0.00 0.00 175.22 173.96 2qt8 s VAL 33 N -0.42 4.48 -0.11 -0.44 1.01 0.30 -4.88 120.40 120.34 2qt8 s VAL 33 Ca 0.51 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 2qt8 s VAL 33 Cb -0.34 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2qt8 s VAL 33 CO 0.40 0.47 0.29 -0.70 0.00 0.00 0.00 175.10 175.56 2qt8 s GLU 34 N 0.36 4.02 -0.32 2.72 2.12 -1.26 -1.45 118.70 124.88 2qt8 s GLU 34 Ca 0.01 0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.50 2qt8 s GLU 34 Cb -0.13 -3.33 0.09 0.00 0.26 0.00 0.00 34.13 31.02 2qt8 s GLU 34 CO 0.01 0.45 0.01 0.34 -0.54 0.00 0.00 175.26 175.53 2qt8 s ASP 35 N -0.20 4.69 0.01 -1.70 2.15 0.18 -4.98 116.67 116.83 2qt8 s ASP 35 Ca 0.18 -1.96 -0.26 0.00 0.43 0.00 0.00 52.55 50.94 2qt8 s ASP 35 Cb -0.14 -1.61 -0.05 0.00 -0.30 0.00 0.00 42.92 40.83 2qt8 s ASP 35 CO 0.06 -0.33 0.79 -0.54 -0.17 0.00 0.00 175.17 174.98 2qt8 s LYS 36 N 0.96 4.50 0.08 4.34 1.02 -1.26 -1.08 119.74 128.30 2qt8 s LYS 36 Ca 0.06 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.15 2qt8 s LYS 36 Cb -0.19 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 2qt8 s LYS 36 CO -0.07 0.16 -0.07 1.67 -0.92 0.00 0.00 175.35 176.12 2qt8 s TRP 37 N 0.38 0.82 -0.03 3.18 1.48 -0.64 -5.01 118.94 119.13 2qt8 s TRP 37 Ca 0.41 -0.80 0.05 0.00 -1.06 0.00 0.00 56.10 54.70 2qt8 s TRP 37 Cb -0.20 -0.48 -0.01 0.00 -1.16 0.00 0.00 33.47 31.62 2qt8 s TRP 37 CO 0.23 -0.13 -0.18 0.99 -4.06 0.00 0.00 176.95 173.79 2qt8 s THR 38 N -2.99 1.44 0.00 0.66 2.01 -1.26 -1.35 115.64 114.16 2qt8 s THR 38 Ca 0.06 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.14 2qt8 s THR 38 Cb 0.01 -1.22 -0.06 0.00 0.01 0.00 0.00 72.50 71.24 2qt8 s THR 38 CO -0.03 0.41 0.46 -0.60 -0.69 0.00 0.00 174.62 174.17 2qt8 s ARG 39 N -0.21 4.05 -0.46 4.92 3.52 0.14 -4.91 118.95 126.00 2qt8 s ARG 39 Ca 0.02 0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 55.83 2qt8 s ARG 39 Cb -0.09 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 2qt8 s ARG 39 CO 0.01 0.60 1.38 -1.21 -0.81 0.00 0.00 175.30 175.27 2qt8 s GLU 40 N -0.85 3.52 0.00 5.12 2.02 -1.26 -2.82 118.70 124.43 2qt8 s GLU 40 Ca 0.25 0.76 0.00 0.00 0.02 0.00 0.00 54.97 56.01 2qt8 s GLU 40 Cb -0.17 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 30.02 2qt8 s GLU 40 CO 0.14 -1.64 0.00 0.41 0.02 0.00 0.00 175.26 174.19 2qt8 n GLY 41 N 5.10 1.92 0.00 -1.39 0.00 -1.26 -5.06 105.19 104.51 2qt8 n GLY 41 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2qt8 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 42 N 0.00 3.71 4.96 -0.02 0.00 -1.13 -4.28 105.19 108.44 2qt8 n GLY 42 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2qt8 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 43 N 0.00 -0.32 0.00 -0.02 0.00 -1.26 -2.37 105.19 101.21 2qt8 n GLY 43 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2qt8 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 44 N 0.00 -0.51 3.87 -0.02 0.00 0.03 0.28 105.19 108.85 2qt8 n GLY 44 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 2qt8 n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qt8 s GLY 45 N 0.00 0.20 -0.24 -0.02 0.00 -0.45 -0.30 107.32 106.51 2qt8 s GLY 45 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2qt8 s GLY 45 CO 0.00 1.97 -0.04 0.50 0.00 0.00 0.00 173.10 175.53 2qt8 s ARG 46 N -2.11 1.53 -0.23 2.90 0.52 0.16 -1.61 118.95 120.10 2qt8 s ARG 46 Ca 0.21 -1.00 -0.13 0.00 -0.52 0.00 0.00 55.73 54.29 2qt8 s ARG 46 Cb -0.03 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 2qt8 s ARG 46 CO 0.07 -0.63 0.27 0.99 0.02 0.00 0.00 175.30 176.01 2qt8 s THR 47 N 1.41 5.28 -0.14 0.02 2.01 -0.24 -1.22 115.64 122.76 2qt8 s THR 47 Ca -0.04 0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.38 2qt8 s THR 47 Cb -0.19 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.73 2qt8 s THR 47 CO -0.07 0.29 -0.19 -0.13 -0.69 0.00 0.00 174.62 173.83 2qt8 s ARG 48 N 1.25 3.11 0.12 4.92 0.52 -0.99 0.51 118.95 128.38 2qt8 s ARG 48 Ca 0.12 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 2qt8 s ARG 48 Cb -0.14 -2.51 -0.00 0.00 0.52 0.00 0.00 34.95 32.82 2qt8 s ARG 48 CO 0.06 0.01 0.03 1.33 0.02 0.00 0.00 175.30 176.75 2qt8 n VAL 49 N 4.02 0.00 0.00 3.52 0.24 -0.53 -0.59 118.33 124.99 2qt8 n VAL 49 Ca -0.20 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 2qt8 n VAL 49 Cb 0.52 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 2qt8 n VAL 49 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2qt8 n VAL 51 N -0.27 0.00 -3.81 3.34 3.14 -1.26 -0.54 118.33 118.93 2qt8 n VAL 51 Ca -0.03 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.07 2qt8 n VAL 51 Cb 0.16 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.99 2qt8 n VAL 51 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2qt8 n ASP 52 N 0.00 -5.26 -3.77 6.55 8.00 -0.32 -4.93 116.55 116.82 2qt8 n ASP 52 Ca 0.00 -0.70 -0.25 0.00 0.71 0.00 0.00 54.79 54.54 2qt8 n ASP 52 Cb 0.00 -4.27 0.17 0.00 -0.02 0.00 0.00 41.12 37.01 2qt8 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qt8 n GLY 53 N -1.79 -1.17 0.19 0.44 0.00 -0.48 -4.85 105.19 97.52 2qt8 n GLY 53 Ca 0.02 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.34 2qt8 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt8 h ALA 54 N -1.65 1.15 0.00 4.61 0.00 -1.94 -3.40 119.26 118.03 2qt8 h ALA 54 Ca -0.37 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2qt8 h ALA 54 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qt8 h ALA 54 CO 0.28 0.49 -0.85 0.28 0.00 0.00 0.00 179.25 179.45 2qt8 n VAL 55 N -3.78 0.00 -3.26 0.00 0.31 -1.26 -4.88 118.33 105.46 2qt8 n VAL 55 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 2qt8 n VAL 55 Cb 0.47 -1.09 -0.08 0.00 -0.91 0.00 0.00 33.84 32.22 2qt8 n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qt8 s ILE 56 N -1.96 5.02 0.02 2.52 1.01 -1.26 -0.24 121.20 126.31 2qt8 s ILE 56 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 2qt8 s ILE 56 Cb 0.00 -4.03 -0.23 0.00 0.01 0.00 0.00 42.46 38.21 2qt8 s ILE 56 CO 0.00 -0.36 1.12 -0.08 0.00 0.00 0.00 174.94 175.61 2qt8 h GLU 57 N 8.65 0.47 -2.68 2.79 4.81 -1.54 -1.28 114.58 125.81 2qt8 h GLU 57 Ca -0.27 -0.51 -0.14 0.00 -0.13 0.00 0.00 59.36 58.31 2qt8 h GLU 57 Cb 1.12 0.15 -0.29 0.00 0.63 0.00 0.00 28.75 30.35 2qt8 h GLU 57 CO 0.80 1.16 -0.42 0.21 -0.73 0.00 0.00 179.01 180.03 2qt8 s LYS 58 N -3.22 0.27 -0.03 1.92 2.20 -0.74 -1.17 119.74 118.97 2qt8 s LYS 58 Ca -0.12 0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 56.34 2qt8 s LYS 58 Cb 0.04 0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.51 2qt8 s LYS 58 CO 0.84 -0.24 0.07 0.20 -0.36 0.00 0.00 175.35 175.86 2qt8 s GLY 59 N 2.28 -0.04 -0.06 5.54 0.00 -1.26 0.09 107.32 113.87 2qt8 s GLY 59 Ca -0.02 0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.95 2qt8 s GLY 59 CO -0.11 0.25 -0.09 -0.32 0.00 0.00 0.00 173.10 172.83 2qt8 s GLY 60 N 0.16 0.64 -0.23 0.20 0.00 -0.69 -4.27 107.32 103.12 2qt8 s GLY 60 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2qt8 s GLY 60 CO -0.00 0.24 -0.03 0.14 0.00 0.00 0.00 173.10 173.45 2qt8 s VAL 61 N 0.75 1.34 -0.05 1.40 1.01 0.24 -1.92 120.40 123.17 2qt8 s VAL 61 Ca -0.13 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.72 2qt8 s VAL 61 Cb -0.15 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2qt8 s VAL 61 CO 0.02 -0.16 -0.09 0.20 0.00 0.00 0.00 175.10 175.07 2qt8 s ASN 62 N 1.47 4.45 -0.05 3.32 0.01 0.62 -2.34 114.94 122.43 2qt8 s ASN 62 Ca -0.04 -0.09 0.06 0.00 -0.71 0.00 0.00 52.86 52.08 2qt8 s ASN 62 Cb -0.18 -1.05 -0.02 0.00 0.41 0.00 0.00 41.25 40.40 2qt8 s ASN 62 CO -0.07 0.35 -0.21 0.12 -1.51 0.00 0.00 177.10 175.77 2qt8 s PHE 63 N -0.81 2.50 0.02 2.20 5.36 -0.36 -1.24 117.98 125.66 2qt8 s PHE 63 Ca 0.13 -0.44 0.01 0.00 -0.96 0.00 0.00 56.93 55.66 2qt8 s PHE 63 Cb -0.11 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 40.97 2qt8 s PHE 63 CO 0.02 -0.03 -0.04 -1.12 -1.46 0.00 0.00 175.22 172.58 2qt8 s SER 64 N -0.47 0.47 -0.22 6.13 0.01 -0.65 -0.67 113.70 118.31 2qt8 s SER 64 Ca 0.06 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 2qt8 s SER 64 Cb -0.12 0.02 0.08 0.00 0.21 0.00 0.00 66.02 66.21 2qt8 s SER 64 CO 0.01 -0.12 0.13 -2.28 0.41 0.00 0.00 173.24 171.39 2qt8 s HIS 65 N -0.81 0.15 0.19 2.43 5.04 0.59 -1.64 115.29 121.23 2qt8 s HIS 65 Ca -0.06 -0.44 0.11 0.00 -1.54 0.00 0.00 55.06 53.13 2qt8 s HIS 65 Cb -0.06 -0.71 -0.04 0.00 0.04 0.00 0.00 32.58 31.80 2qt8 s HIS 65 CO -0.00 -0.65 -0.22 0.14 -2.34 0.00 0.00 174.74 171.67 2qt8 s VAL 66 N 2.16 2.47 0.14 0.89 -7.23 -0.22 -0.79 120.40 117.83 2qt8 s VAL 66 Ca 0.05 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.03 2qt8 s VAL 66 Cb -0.16 -2.19 0.07 0.00 0.56 0.00 0.00 36.38 34.67 2qt8 s VAL 66 CO -0.20 -0.10 0.60 -0.72 -0.31 0.00 0.00 175.10 174.37 2qt8 s TYR 67 N -1.64 -0.55 0.00 2.82 -0.85 -1.00 -0.74 117.35 115.39 2qt8 s TYR 67 Ca 0.21 0.39 0.00 0.00 -0.52 0.00 0.00 57.07 57.15 2qt8 s TYR 67 Cb -0.08 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.80 2qt8 s TYR 67 CO 0.10 -0.83 0.00 0.41 -1.52 0.00 0.00 175.55 173.71 2qt8 n GLY 68 N -0.28 -0.91 3.49 5.49 0.00 -0.98 -3.43 105.19 108.57 2qt8 n GLY 68 Ca -0.17 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 2qt8 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt8 s LYS 69 N -2.00 3.14 0.00 1.61 1.02 -1.26 -1.88 119.74 120.37 2qt8 s LYS 69 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.30 2qt8 s LYS 69 Cb 0.00 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 2qt8 s LYS 69 CO 0.00 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 173.97 2qt8 n GLY 70 N 5.09 -2.18 3.83 -3.33 0.00 0.21 -4.96 105.19 103.85 2qt8 n GLY 70 Ca -0.06 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 2qt8 n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qt8 s LEU 71 N -2.00 3.01 0.00 0.99 1.43 -0.53 -4.87 118.68 116.71 2qt8 s LEU 71 Ca 0.00 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 2qt8 s LEU 71 Cb 0.00 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.90 2qt8 s LEU 71 CO 0.00 -1.46 0.00 -0.81 0.23 0.00 0.00 176.35 174.31 2qt8 n PRO 72 N -3.13 0.00 0.00 1.29 -0.04 -1.26 -4.92 135.00 126.94 2qt8 n PRO 72 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2qt8 n PRO 72 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 2qt8 n PRO 72 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2qt8 n SER 74 N 0.00 0.00 0.23 3.54 3.41 -1.26 -3.33 113.62 116.21 2qt8 n SER 74 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2qt8 n SER 74 Cb 0.00 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.35 2qt8 n SER 74 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2qt8 h SER 75 N 0.00 0.00 -0.55 4.04 0.02 -1.95 -3.39 113.55 111.72 2qt8 h SER 75 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 2qt8 h SER 75 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2qt8 h SER 75 CO 0.00 0.10 2.59 0.41 -1.14 0.00 0.00 176.83 178.79 2qt8 n THR 76 N -3.17 3.75 0.00 -2.27 -1.04 -1.21 -2.50 114.28 107.84 2qt8 n THR 76 Ca 0.02 -3.64 0.00 0.00 -2.04 0.00 0.00 64.05 58.39 2qt8 n THR 76 Cb 0.45 -2.48 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 2qt8 n THR 76 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2qt8 n GLU 77 N 6.94 0.00 0.02 -2.82 0.28 -1.26 -4.86 120.64 118.93 2qt8 n GLU 77 Ca 0.49 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.44 2qt8 n GLU 77 Cb 0.42 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.18 2qt8 n GLU 77 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2qt8 h ARG 78 N 0.00 0.00 -2.05 3.44 2.43 -1.85 -3.41 114.38 112.93 2qt8 h ARG 78 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 2qt8 h ARG 78 Cb 0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.15 2qt8 h ARG 78 CO 0.00 0.48 -1.00 0.72 -1.51 0.00 0.00 179.97 178.67 2qt8 n HIS 79 N -3.04 0.78 0.10 2.20 8.25 -1.04 -4.94 115.22 117.53 2qt8 n HIS 79 Ca -0.11 -3.75 -0.04 0.00 -0.26 0.00 0.00 57.72 53.55 2qt8 n HIS 79 Cb 0.95 -0.41 0.05 0.00 1.12 0.00 0.00 29.99 31.70 2qt8 n HIS 79 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qt8 h PRO 80 N 3.78 0.04 0.00 -0.41 0.13 -1.81 -3.26 132.00 130.47 2qt8 h PRO 80 Ca 0.10 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.16 2qt8 h PRO 80 Cb 0.83 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2qt8 h PRO 80 CO 0.56 0.80 -0.13 0.38 -0.23 0.00 0.00 178.00 179.38 2qt8 h ASP 81 N 0.03 0.00 -0.33 1.44 -0.00 -1.96 -2.60 116.42 113.00 2qt8 h ASP 81 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.93 2qt8 h ASP 81 Cb 1.37 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 40.65 2qt8 h ASP 81 CO 0.10 0.13 0.01 2.30 -0.00 0.00 0.00 179.24 181.78 2qt8 n ILE 82 N -3.62 2.43 0.21 4.15 -6.64 -1.23 -4.72 119.36 109.94 2qt8 n ILE 82 Ca -0.02 -2.15 0.05 0.00 -1.77 0.00 0.00 62.75 58.87 2qt8 n ILE 82 Cb 0.25 -0.29 0.47 0.00 -1.44 0.00 0.00 39.64 38.63 2qt8 n ILE 82 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2qt8 h ALA 83 N 1.55 1.57 -0.48 -1.28 0.00 -1.51 -2.58 119.26 116.53 2qt8 h ALA 83 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qt8 h ALA 83 Cb 1.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2qt8 h ALA 83 CO 0.32 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2qt8 n GLY 84 N -0.81 1.66 3.82 0.00 0.00 -1.26 -1.46 105.19 107.13 2qt8 n GLY 84 Ca -0.02 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 2qt8 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt8 s ASN 86 N -2.28 6.94 0.12 0.00 0.01 -1.26 -0.62 114.94 117.86 2qt8 s ASN 86 Ca 0.63 2.39 0.03 0.00 -0.71 0.00 0.00 52.86 55.20 2qt8 s ASN 86 Cb -0.12 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 2qt8 s ASN 86 CO 0.19 -0.47 -0.08 0.72 -1.51 0.00 0.00 177.10 175.95 2qt8 s PHE 87 N -0.13 1.05 0.00 2.20 -0.71 -0.79 -1.51 117.98 118.09 2qt8 s PHE 87 Ca 0.54 -0.86 0.02 0.00 -1.04 0.00 0.00 56.93 55.59 2qt8 s PHE 87 Cb -0.36 -0.57 -0.01 0.00 -1.21 0.00 0.00 43.02 40.87 2qt8 s PHE 87 CO 0.40 -0.06 -0.05 -1.21 -1.34 0.00 0.00 175.22 172.95 2qt8 s GLU 88 N -3.81 0.42 0.18 1.99 2.02 0.11 -2.32 118.70 117.30 2qt8 s GLU 88 Ca 0.14 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.89 2qt8 s GLU 88 Cb 0.04 -0.38 -0.05 0.00 0.10 0.00 0.00 34.13 33.84 2qt8 s GLU 88 CO -0.02 0.10 0.03 0.00 0.02 0.00 0.00 175.26 175.39 2qt8 s ALA 89 N -0.27 1.32 0.00 5.21 0.00 0.08 -1.10 121.76 127.00 2qt8 s ALA 89 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2qt8 s ALA 89 Cb -0.03 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2qt8 s ALA 89 CO -0.00 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2qt8 n GLY 91 N -0.26 2.94 3.34 0.00 0.00 -0.65 -1.05 105.19 109.51 2qt8 n GLY 91 Ca -0.05 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 2qt8 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qt8 s VAL 92 N -2.00 2.66 -0.02 1.61 1.01 -0.23 -1.64 120.40 121.79 2qt8 s VAL 92 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2qt8 s VAL 92 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2qt8 s VAL 92 CO 0.00 0.55 -0.06 -0.94 0.00 0.00 0.00 175.10 174.65 2qt8 s SER 93 N 0.03 0.86 -0.02 3.32 1.04 -0.37 -1.47 113.70 117.10 2qt8 s SER 93 Ca -0.07 -0.13 -0.08 0.00 0.48 0.00 0.00 55.95 56.15 2qt8 s SER 93 Cb -0.15 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.79 2qt8 s SER 93 CO 0.05 0.05 0.17 -1.48 0.98 0.00 0.00 173.24 173.01 2qt8 s LEU 94 N 0.12 1.39 -0.03 2.42 0.05 -0.26 -0.27 118.68 122.10 2qt8 s LEU 94 Ca -0.01 -0.03 -0.00 0.00 0.05 0.00 0.00 54.13 54.14 2qt8 s LEU 94 Cb -0.06 0.75 0.03 0.00 -2.05 0.00 0.00 46.19 44.86 2qt8 s LEU 94 CO -0.00 -0.31 0.02 -0.69 -0.55 0.00 0.00 176.35 174.82 2qt8 s VAL 95 N -1.03 0.04 -0.17 1.48 1.01 -0.81 -1.97 120.40 118.95 2qt8 s VAL 95 Ca -0.11 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2qt8 s VAL 95 Cb -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 2qt8 s VAL 95 CO 0.02 0.13 -0.13 -0.63 0.00 0.00 0.00 175.10 174.48 2qt8 s ILE 96 N 1.21 2.79 -0.43 2.22 -1.09 -0.41 -1.71 121.20 123.79 2qt8 s ILE 96 Ca -0.07 -0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 57.60 2qt8 s ILE 96 Cb -0.13 -2.19 0.11 0.00 -1.58 0.00 0.00 42.46 38.67 2qt8 s ILE 96 CO -0.03 0.50 0.22 -1.00 -1.23 0.00 0.00 174.94 173.41 2qt8 s HIS 97 N 0.91 3.58 0.70 3.97 3.76 0.11 -2.13 115.29 126.19 2qt8 s HIS 97 Ca -0.03 -2.47 -0.14 0.00 -0.15 0.00 0.00 55.06 52.27 2qt8 s HIS 97 Cb -0.15 -3.22 0.02 0.00 1.11 0.00 0.00 32.58 30.35 2qt8 s HIS 97 CO -0.01 -0.96 1.13 -2.14 -0.85 0.00 0.00 174.74 171.91 2qt8 s PRO 98 N 1.02 2.49 0.05 8.40 0.02 -1.26 -1.63 135.00 144.08 2qt8 s PRO 98 Ca 0.09 1.44 -0.21 0.00 0.02 0.00 0.00 61.00 62.34 2qt8 s PRO 98 Cb -0.23 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.26 2qt8 s PRO 98 CO -0.04 -1.50 1.43 -0.22 -0.33 0.00 0.00 177.00 176.34 2qt8 h LYS 99 N -0.31 0.28 -6.11 5.54 3.64 -0.92 -3.41 116.57 115.28 2qt8 h LYS 99 Ca -0.46 -0.11 -0.58 0.00 -1.27 0.00 0.00 60.65 58.23 2qt8 h LYS 99 Cb 1.26 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 2qt8 h LYS 99 CO 0.52 0.57 0.82 1.21 -2.27 0.00 0.00 179.45 180.30 2qt8 s ASN 100 N -5.87 7.06 0.62 4.20 3.84 -1.26 -4.93 114.94 118.59 2qt8 s ASN 100 Ca -0.14 1.48 0.29 0.00 0.21 0.00 0.00 52.86 54.70 2qt8 s ASN 100 Cb 0.05 -2.54 1.54 0.00 -0.55 0.00 0.00 41.25 39.75 2qt8 s ASN 100 CO 0.72 -0.69 1.92 -0.65 -2.79 0.00 0.00 177.10 175.62 2qt8 h PRO 101 N 7.65 0.00 0.00 0.43 0.11 -1.89 -0.88 132.00 137.42 2qt8 h PRO 101 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2qt8 h PRO 101 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qt8 h PRO 101 CO 0.97 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.48 2qt8 n HIS 102 N -3.44 0.00 -3.67 0.65 8.25 -1.26 -3.60 115.22 112.15 2qt8 n HIS 102 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 2qt8 n HIS 102 Cb 0.54 -0.29 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 2qt8 n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qt8 s VAL 103 N -2.59 5.08 0.65 1.59 1.01 -0.34 -4.84 120.40 120.97 2qt8 s VAL 103 Ca 0.27 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 2qt8 s VAL 103 Cb 0.20 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2qt8 s VAL 103 CO 0.45 0.30 1.26 -2.84 0.00 0.00 0.00 175.10 174.28 2qt8 s PRO 104 N 1.48 2.59 0.62 2.72 0.02 -1.26 -4.62 135.00 136.55 2qt8 s PRO 104 Ca 0.07 1.97 -0.17 0.00 0.02 0.00 0.00 61.00 62.88 2qt8 s PRO 104 Cb -0.15 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 2qt8 s PRO 104 CO 0.07 -1.54 1.16 0.99 -0.33 0.00 0.00 177.00 177.35 2qt8 s THR 105 N -1.52 2.92 0.12 0.99 2.01 -0.22 -4.61 115.64 115.33 2qt8 s THR 105 Ca 0.80 0.51 -0.05 0.00 0.31 0.00 0.00 61.69 63.26 2qt8 s THR 105 Cb -0.35 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 2qt8 s THR 105 CO 0.39 -0.19 0.14 -0.94 -0.69 0.00 0.00 174.62 173.33 2qt8 s SER 106 N -2.00 0.22 -0.01 3.53 1.04 -0.91 -0.67 113.70 114.89 2qt8 s SER 106 Ca 0.72 -0.93 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 2qt8 s SER 106 Cb -0.25 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2qt8 s SER 106 CO 0.35 -0.75 0.10 -2.28 0.98 0.00 0.00 173.24 171.64 2qt8 s HIS 107 N -3.95 0.01 0.05 5.02 5.65 -0.87 -1.28 115.29 119.92 2qt8 s HIS 107 Ca 0.14 -0.02 -0.12 0.00 0.25 0.00 0.00 55.06 55.32 2qt8 s HIS 107 Cb 0.06 -0.03 0.01 0.00 -1.18 0.00 0.00 32.58 31.43 2qt8 s HIS 107 CO -0.04 -0.18 0.26 0.00 -0.65 0.00 0.00 174.74 174.13 2qt8 s ALA 108 N -0.80 -0.53 -0.20 1.58 0.00 -0.83 -1.20 121.76 119.78 2qt8 s ALA 108 Ca -0.09 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 2qt8 s ALA 108 Cb -0.05 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.48 2qt8 s ALA 108 CO 0.01 -0.43 0.52 1.21 0.00 0.00 0.00 175.76 177.07 2qt8 s ASN 109 N -2.24 -0.57 -0.02 0.00 3.84 -0.38 -1.11 114.94 114.47 2qt8 s ASN 109 Ca -0.03 1.07 0.01 0.00 0.21 0.00 0.00 52.86 54.12 2qt8 s ASN 109 Cb 0.00 1.06 0.01 0.00 -0.55 0.00 0.00 41.25 41.77 2qt8 s ASN 109 CO -0.05 -0.19 -0.01 0.68 -2.79 0.00 0.00 177.10 174.74 2qt8 s VAL 110 N 0.53 0.20 0.14 -5.21 -7.23 -0.54 -0.44 120.40 107.85 2qt8 s VAL 110 Ca -0.02 -0.01 -0.15 0.00 -1.81 0.00 0.00 61.98 59.99 2qt8 s VAL 110 Cb -0.04 -0.24 0.03 0.00 0.56 0.00 0.00 36.38 36.68 2qt8 s VAL 110 CO -0.03 0.11 0.40 0.00 -0.31 0.00 0.00 175.10 175.27 2qt8 s ARG 111 N 0.55 1.12 -0.01 4.82 1.70 -0.08 -1.07 118.95 125.98 2qt8 s ARG 111 Ca -0.05 -0.80 0.01 0.00 -0.47 0.00 0.00 55.73 54.41 2qt8 s ARG 111 Cb -0.08 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 2qt8 s ARG 111 CO -0.01 -0.44 -0.03 -1.17 -1.08 0.00 0.00 175.30 172.57 2qt8 s LEU 112 N -2.84 1.85 -0.04 -1.89 2.96 -1.26 -1.47 118.68 115.98 2qt8 s LEU 112 Ca 0.06 -0.06 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 2qt8 s LEU 112 Cb 0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 46.50 2qt8 s LEU 112 CO -0.09 0.02 -0.24 0.12 -1.32 0.00 0.00 176.35 174.83 2qt8 s PHE 113 N 0.13 2.30 -0.02 5.38 5.36 -0.42 -4.36 117.98 126.35 2qt8 s PHE 113 Ca -0.01 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 55.36 2qt8 s PHE 113 Cb -0.04 -1.50 0.01 0.00 -0.34 0.00 0.00 43.02 41.15 2qt8 s PHE 113 CO -0.00 -0.16 -0.03 0.08 -1.46 0.00 0.00 175.22 173.65 2qt8 s VAL 114 N -0.26 0.32 -0.11 3.12 1.01 -0.25 -1.76 120.40 122.47 2qt8 s VAL 114 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2qt8 s VAL 114 Cb -0.12 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2qt8 s VAL 114 CO 0.02 0.13 -0.08 0.00 0.00 0.00 0.00 175.10 175.17 2qt8 s ALA 115 N 0.38 1.30 0.12 5.51 0.00 0.35 -0.71 121.76 128.70 2qt8 s ALA 115 Ca -0.04 -0.52 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 2qt8 s ALA 115 Cb -0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 2qt8 s ALA 115 CO -0.01 -0.36 0.64 -1.83 0.00 0.00 0.00 175.76 174.20 2qt8 s GLU 116 N 1.60 4.28 -0.13 0.00 -1.05 -0.57 -1.04 118.70 121.79 2qt8 s GLU 116 Ca 0.03 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 55.69 2qt8 s GLU 116 Cb -0.13 -3.19 0.02 0.00 -0.44 0.00 0.00 34.13 30.40 2qt8 s GLU 116 CO -0.07 0.59 -0.12 1.03 0.95 0.00 0.00 175.26 177.64 2qt8 s ARG 117 N -1.27 2.04 0.09 -4.83 0.52 -1.26 -4.13 118.95 110.10 2qt8 s ARG 117 Ca 0.33 -0.46 -0.31 0.00 -0.52 0.00 0.00 55.73 54.77 2qt8 s ARG 117 Cb -0.20 -1.91 -0.10 0.00 0.52 0.00 0.00 34.95 33.27 2qt8 s ARG 117 CO 0.21 -0.22 1.91 -1.83 0.02 0.00 0.00 175.30 175.39 2qt8 s GLU 118 N 1.47 4.14 0.00 3.54 -1.05 -1.26 -1.81 118.70 123.72 2qt8 s GLU 118 Ca 0.03 2.63 0.00 0.00 -0.15 0.00 0.00 54.97 57.48 2qt8 s GLU 118 Cb -0.13 -3.88 0.00 0.00 -0.44 0.00 0.00 34.13 29.68 2qt8 s GLU 118 CO -0.09 -0.91 0.00 0.41 0.95 0.00 0.00 175.26 175.63 2qt8 n GLY 119 N 4.41 1.36 3.37 -3.83 0.00 -1.26 -4.99 105.19 104.24 2qt8 n GLY 119 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2qt8 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt8 s LYS 120 N -0.11 1.40 0.50 1.61 3.01 -0.75 -5.13 119.74 120.26 2qt8 s LYS 120 Ca 0.00 -1.59 -0.22 0.00 -1.01 0.00 0.00 55.97 53.15 2qt8 s LYS 120 Cb 0.00 -1.32 -0.06 0.00 -1.01 0.00 0.00 37.83 35.44 2qt8 s LYS 120 CO 0.00 0.24 1.22 -1.83 0.51 0.00 0.00 175.35 175.49 2qt8 s GLU 121 N -3.42 3.52 0.62 1.68 1.03 -1.26 -4.33 118.70 116.55 2qt8 s GLU 121 Ca 0.23 1.90 -0.18 0.00 0.03 0.00 0.00 54.97 56.94 2qt8 s GLU 121 Cb -0.03 -2.32 -0.02 0.00 -0.80 0.00 0.00 34.13 30.97 2qt8 s GLU 121 CO 0.09 -0.78 1.21 -1.25 -1.33 0.00 0.00 175.26 173.20 2qt8 s PRO 122 N -2.82 2.78 0.01 -4.83 0.04 -1.26 -4.59 135.00 124.33 2qt8 s PRO 122 Ca 0.67 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 63.40 2qt8 s PRO 122 Cb -0.32 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2qt8 s PRO 122 CO 0.38 -1.35 0.39 0.14 0.04 0.00 0.00 177.00 176.59 2qt8 s VAL 123 N -1.68 5.08 0.07 -0.36 -7.23 -0.21 -4.95 120.40 111.12 2qt8 s VAL 123 Ca 0.77 0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 61.42 2qt8 s VAL 123 Cb -0.30 -3.67 0.06 0.00 0.56 0.00 0.00 36.38 33.02 2qt8 s VAL 123 CO 0.36 0.51 0.54 -1.66 -0.31 0.00 0.00 175.10 174.54 2qt8 s TRP 124 N -1.15 -0.45 -0.06 2.82 1.48 -1.26 -0.50 118.94 119.83 2qt8 s TRP 124 Ca 0.25 0.44 -0.30 0.00 -1.06 0.00 0.00 56.10 55.43 2qt8 s TRP 124 Cb -0.16 0.38 0.08 0.00 -1.16 0.00 0.00 33.47 32.62 2qt8 s TRP 124 CO 0.14 -0.69 0.76 1.67 -4.06 0.00 0.00 176.95 174.76 2qt8 s TRP 125 N -2.74 -0.57 0.28 1.66 -2.14 -0.72 -4.69 118.94 110.01 2qt8 s TRP 125 Ca -0.04 0.92 0.03 0.00 2.66 0.00 0.00 56.10 59.68 2qt8 s TRP 125 Cb -0.00 0.44 -0.03 0.00 -3.10 0.00 0.00 33.47 30.77 2qt8 s TRP 125 CO -0.04 -0.56 0.43 -0.06 -2.66 0.00 0.00 176.95 174.06 2qt8 s PHE 126 N -1.43 3.47 0.18 1.66 0.40 -0.43 -1.30 117.98 120.53 2qt8 s PHE 126 Ca -0.07 0.13 -0.10 0.00 -0.60 0.00 0.00 56.93 56.28 2qt8 s PHE 126 Cb -0.00 -1.70 -0.00 0.00 0.51 0.00 0.00 43.02 41.82 2qt8 s PHE 126 CO 0.06 0.32 0.34 0.20 0.70 0.00 0.00 175.22 176.84 2qt8 s GLY 127 N -3.96 0.46 0.00 4.36 0.00 -0.54 -1.41 107.32 106.22 2qt8 s GLY 127 Ca 0.36 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.25 2qt8 s GLY 127 CO 0.32 -0.75 0.00 0.61 0.00 0.00 0.00 173.10 173.28 2qt8 n GLY 128 N -0.26 0.18 0.00 0.20 0.00 -0.35 -0.90 105.19 104.05 2qt8 n GLY 128 Ca -0.06 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2qt8 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 129 N 0.00 0.88 3.28 -0.02 0.00 0.42 -1.15 105.19 108.60 2qt8 n GLY 129 Ca 0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 2qt8 n GLY 129 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qt8 s PHE 130 N -1.87 -0.11 0.08 1.61 -0.12 -0.68 -1.24 117.98 115.65 2qt8 s PHE 130 Ca 0.00 -0.16 -0.22 0.00 -0.05 0.00 0.00 56.93 56.50 2qt8 s PHE 130 Cb 0.00 0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.59 2qt8 s PHE 130 CO 0.00 -0.61 0.53 0.16 -0.05 0.00 0.00 175.22 175.25 2qt8 s ASP 131 N -2.57 -0.45 -0.09 1.98 1.47 -0.34 -0.91 116.67 115.77 2qt8 s ASP 131 Ca 0.01 0.07 0.04 0.00 1.18 0.00 0.00 52.55 53.85 2qt8 s ASP 131 Cb 0.02 0.52 -0.01 0.00 -0.34 0.00 0.00 42.92 43.11 2qt8 s ASP 131 CO -0.09 -0.80 -0.22 -0.22 0.68 0.00 0.00 175.17 174.52 2qt8 s LEU 132 N -2.28 2.20 -0.62 2.11 2.96 -0.91 -2.04 118.68 120.10 2qt8 s LEU 132 Ca -0.03 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2qt8 s LEU 132 Cb -0.00 -1.43 0.16 0.00 0.50 0.00 0.00 46.19 45.41 2qt8 s LEU 132 CO -0.06 0.20 0.41 -0.89 -1.32 0.00 0.00 176.35 174.69 2qt8 s THR 133 N 0.12 2.52 0.80 3.68 2.01 0.15 -1.21 115.64 123.71 2qt8 s THR 133 Ca -0.11 -3.82 -0.11 0.00 0.31 0.00 0.00 61.69 57.96 2qt8 s THR 133 Cb -0.16 -2.69 0.07 0.00 0.01 0.00 0.00 72.50 69.74 2qt8 s THR 133 CO 0.06 -0.97 1.09 -2.16 -0.69 0.00 0.00 174.62 171.96 2qt8 s PRO 134 N -0.95 2.06 -0.02 4.92 0.04 -1.26 -1.06 135.00 138.73 2qt8 s PRO 134 Ca 0.23 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.93 2qt8 s PRO 134 Cb -0.10 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2qt8 s PRO 134 CO -0.12 -1.66 -0.11 0.66 0.04 0.00 0.00 177.00 175.81 2qt8 n TYR 135 N -3.47 0.00 -3.61 0.56 4.01 -1.26 -4.85 117.16 108.53 2qt8 n TYR 135 Ca 0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.44 2qt8 n TYR 135 Cb 0.56 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 2qt8 n TYR 135 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2qt8 s TYR 136 N -2.26 3.80 0.66 -0.72 2.02 -1.24 -4.77 117.35 114.84 2qt8 s TYR 136 Ca -0.10 -2.86 -0.14 0.00 -0.37 0.00 0.00 57.07 53.59 2qt8 s TYR 136 Cb 0.02 -3.31 -0.01 0.00 -0.40 0.00 0.00 41.96 38.26 2qt8 s TYR 136 CO 0.15 -0.79 1.07 0.00 -1.57 0.00 0.00 175.55 174.41 2qt8 s ALA 137 N -0.95 2.60 -0.05 3.71 0.00 -1.26 -4.82 121.76 120.99 2qt8 s ALA 137 Ca 0.25 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.57 2qt8 s ALA 137 Cb -0.11 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.78 2qt8 s ALA 137 CO -0.10 -1.14 -0.10 0.08 0.00 0.00 0.00 175.76 174.50 2qt8 s VAL 138 N -2.62 0.94 0.18 0.00 1.01 -1.26 -5.06 120.40 113.58 2qt8 s VAL 138 Ca 0.63 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 2qt8 s VAL 138 Cb -0.17 -0.87 0.08 0.00 0.00 0.00 0.00 36.38 35.42 2qt8 s VAL 138 CO 0.45 0.31 1.58 -0.08 0.00 0.00 0.00 175.10 177.35 2qt8 h GLU 139 N 6.85 -0.19 -0.84 2.72 4.57 -2.00 -1.94 114.58 123.75 2qt8 h GLU 139 Ca -0.33 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.86 2qt8 h GLU 139 Cb 1.18 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.77 2qt8 h GLU 139 CO 0.48 -0.13 0.52 1.49 -1.18 0.00 0.00 179.01 180.19 2qt8 h GLU 140 N -0.20 1.13 -0.61 1.92 4.81 -1.99 -1.29 114.58 118.35 2qt8 h GLU 140 Ca 0.20 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2qt8 h GLU 140 Cb 0.56 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2qt8 h GLU 140 CO -0.68 0.78 0.13 -0.44 -0.73 0.00 0.00 179.01 178.07 2qt8 h ASP 141 N 1.15 0.93 -0.46 1.04 3.32 -1.81 0.48 116.42 121.07 2qt8 h ASP 141 Ca 0.30 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2qt8 h ASP 141 Cb -0.07 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 2qt8 h ASP 141 CO -0.06 0.93 -0.02 0.00 -1.72 0.00 0.00 179.24 178.37 2qt8 h ARG 143 N 0.68 0.07 -0.58 0.00 3.08 -1.12 -2.44 114.38 114.06 2qt8 h ARG 143 Ca 0.13 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2qt8 h ARG 143 Cb 0.53 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 2qt8 h ARG 143 CO 0.03 0.18 0.36 -0.44 -1.07 0.00 0.00 179.97 179.02 2qt8 h ASP 144 N -0.05 0.58 -0.22 7.04 3.32 -0.82 0.12 116.42 126.39 2qt8 h ASP 144 Ca 0.02 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2qt8 h ASP 144 Cb 0.13 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2qt8 h ASP 144 CO -0.00 0.41 0.03 0.15 -1.72 0.00 0.00 179.24 178.11 2qt8 h PHE 145 N 0.71 0.06 -0.09 4.55 3.57 -1.06 -1.36 116.94 123.31 2qt8 h PHE 145 Ca 0.23 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 2qt8 h PHE 145 Cb 0.01 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2qt8 h PHE 145 CO -0.05 0.01 -0.46 0.45 -2.23 0.00 0.00 178.31 176.03 2qt8 h HIS 146 N 0.12 0.27 -0.71 0.41 3.86 -1.15 -2.94 115.15 115.02 2qt8 h HIS 146 Ca 0.10 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 2qt8 h HIS 146 Cb 0.10 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 2qt8 h HIS 146 CO -0.15 0.65 0.16 0.37 0.86 0.00 0.00 177.93 179.81 2qt8 h GLN 147 N 0.19 1.14 -0.60 2.45 5.75 -0.22 0.13 115.11 123.96 2qt8 h GLN 147 Ca 0.01 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.25 2qt8 h GLN 147 Cb 0.88 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 2qt8 h GLN 147 CO 0.07 1.01 0.38 0.28 -2.65 0.00 0.00 178.83 177.92 2qt8 h VAL 148 N 1.08 1.11 -0.26 2.39 2.07 -1.19 0.08 116.25 121.53 2qt8 h VAL 148 Ca 0.22 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2qt8 h VAL 148 Cb 0.39 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2qt8 h VAL 148 CO 0.01 0.14 0.12 0.00 0.02 0.00 0.00 177.57 177.85 2qt8 h ALA 149 N 1.24 0.33 -0.56 1.67 0.00 -1.26 -1.88 119.26 118.81 2qt8 h ALA 149 Ca 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2qt8 h ALA 149 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2qt8 h ALA 149 CO -0.08 -0.10 0.25 0.37 0.00 0.00 0.00 179.25 179.69 2qt8 h GLN 150 N 0.28 0.81 -0.53 0.00 4.15 -0.45 -2.48 115.11 116.89 2qt8 h GLN 150 Ca 0.09 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 2qt8 h GLN 150 Cb 0.14 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2qt8 h GLN 150 CO -0.01 0.68 0.19 -0.44 -1.93 0.00 0.00 178.83 177.32 2qt8 h ASP 151 N 0.75 0.75 0.23 -0.69 3.32 -0.90 -2.35 116.42 117.54 2qt8 h ASP 151 Ca 0.19 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2qt8 h ASP 151 Cb 0.16 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2qt8 h ASP 151 CO -0.02 0.74 -0.40 0.17 -1.72 0.00 0.00 179.24 178.01 2qt8 h LEU 152 N 0.72 0.24 -0.78 1.55 8.10 -1.23 -2.98 115.31 120.94 2qt8 h LEU 152 Ca 0.17 -0.10 -0.12 0.00 0.11 0.00 0.00 57.88 57.95 2qt8 h LEU 152 Cb 0.24 -0.07 -0.02 0.00 -0.44 0.00 0.00 40.66 40.38 2qt8 h LEU 152 CO -0.01 0.62 -0.56 0.00 -4.11 0.00 0.00 178.44 174.38 2qt8 h LYS 154 N 0.00 -0.30 0.00 0.00 3.64 -1.26 -0.26 116.57 118.39 2qt8 h LYS 154 Ca -0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2qt8 h LYS 154 Cb 1.06 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2qt8 h LYS 154 CO 0.07 -0.20 0.00 -1.00 -2.27 0.00 0.00 179.45 176.05 2qt8 h PRO 155 N -0.31 0.00 0.00 1.90 0.13 -1.79 -2.12 132.00 129.81 2qt8 h PRO 155 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2qt8 h PRO 155 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2qt8 h PRO 155 CO -0.49 0.00 -0.12 0.74 -0.23 0.00 0.00 178.00 177.90 2qt8 h PHE 156 N 0.00 0.00 0.00 1.56 0.04 -1.31 -3.48 116.94 113.75 2qt8 h PHE 156 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2qt8 h PHE 156 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2qt8 h PHE 156 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2qt8 n GLY 157 N 1.28 4.04 0.28 -1.45 0.00 -0.80 -4.93 105.19 103.61 2qt8 n GLY 157 Ca 0.05 -1.03 0.16 0.00 0.00 0.00 0.00 46.02 45.20 2qt8 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt8 h ALA 158 N 0.00 1.06 -0.24 4.61 0.00 -1.90 -2.95 119.26 119.84 2qt8 h ALA 158 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qt8 h ALA 158 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qt8 h ALA 158 CO 0.00 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 2qt8 n ASP 159 N -3.24 2.70 0.04 0.00 8.00 -1.26 -4.71 116.55 118.07 2qt8 n ASP 159 Ca -0.01 -1.81 -0.13 0.00 0.71 0.00 0.00 54.79 53.56 2qt8 n ASP 159 Cb 0.26 -0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.12 2qt8 n ASP 159 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2qt8 h VAL 160 N 2.63 1.14 -0.42 2.53 2.07 -1.84 -1.07 116.25 121.29 2qt8 h VAL 160 Ca 0.00 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.61 2qt8 h VAL 160 Cb 0.69 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2qt8 h VAL 160 CO 0.00 0.22 0.27 0.22 0.02 0.00 0.00 177.57 178.30 2qt8 h TYR 161 N -0.55 0.51 -0.48 1.57 3.20 -1.84 -1.71 116.97 117.68 2qt8 h TYR 161 Ca -0.01 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 2qt8 h TYR 161 Cb 0.45 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 2qt8 h TYR 161 CO 0.06 0.32 0.16 0.00 -1.64 0.00 0.00 178.16 177.06 2qt8 h ALA 162 N 1.16 0.57 -0.08 1.82 0.00 -1.84 0.19 119.26 121.09 2qt8 h ALA 162 Ca 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2qt8 h ALA 162 Cb -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qt8 h ALA 162 CO -0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 179.25 178.97 2qt8 h ARG 163 N 0.32 0.14 0.00 0.00 3.08 -0.95 -1.96 114.38 115.01 2qt8 h ARG 163 Ca 0.23 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 2qt8 h ARG 163 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2qt8 h ARG 163 CO -0.25 0.42 -0.65 0.74 -1.07 0.00 0.00 179.97 179.15 2qt8 h PHE 164 N -0.16 0.00 -0.16 3.04 0.04 -1.16 -0.01 116.94 118.53 2qt8 h PHE 164 Ca 0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2qt8 h PHE 164 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2qt8 h PHE 164 CO 0.04 0.47 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.98 2qt8 h LYS 165 N 0.00 0.29 -0.46 1.51 3.11 -0.70 -0.62 116.57 119.70 2qt8 h LYS 165 Ca -0.03 -0.10 0.04 0.00 -2.81 0.00 0.00 60.65 57.75 2qt8 h LYS 165 Cb 1.38 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.55 2qt8 h LYS 165 CO 0.06 0.54 0.22 0.78 -2.81 0.00 0.00 179.45 178.24 2qt8 h GLY 166 N 0.02 0.63 1.20 5.01 0.00 -1.22 -1.90 103.07 106.82 2qt8 h GLY 166 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2qt8 h GLY 166 CO 0.01 0.10 0.43 -0.25 0.00 0.00 0.00 176.54 176.83 2qt8 h TRP 167 N 0.45 1.03 -0.56 5.60 2.91 -1.01 -1.42 115.95 122.95 2qt8 h TRP 167 Ca 0.20 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.19 2qt8 h TRP 167 Cb 0.12 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 28.41 2qt8 h TRP 167 CO -0.11 0.71 0.30 0.00 -1.03 0.00 0.00 178.44 178.32 2qt8 h ASP 169 N 0.75 1.11 -0.28 0.00 3.32 -0.78 -1.55 116.42 118.99 2qt8 h ASP 169 Ca 0.20 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 2qt8 h ASP 169 Cb 0.05 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 2qt8 h ASP 169 CO -0.03 0.92 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.73 2qt8 h GLU 170 N 1.22 0.73 0.00 3.56 5.08 -0.88 -3.36 114.58 120.93 2qt8 h GLU 170 Ca 0.30 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2qt8 h GLU 170 Cb 0.10 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2qt8 h GLU 170 CO -0.04 1.04 -0.00 -0.92 -1.00 0.00 0.00 179.01 178.09 2qt8 h TYR 171 N 0.47 -0.00 -0.95 4.33 3.20 -0.87 -3.35 116.97 119.79 2qt8 h TYR 171 Ca 0.03 -0.00 -0.74 0.00 3.14 0.00 0.00 58.73 61.17 2qt8 h TYR 171 Cb 0.94 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 39.10 2qt8 h TYR 171 CO 0.08 0.70 2.50 1.19 -1.64 0.00 0.00 178.16 180.99 2qt8 n PHE 172 N -4.75 2.88 -3.93 -3.82 3.72 -0.59 -4.86 117.46 106.11 2qt8 n PHE 172 Ca -0.09 -2.86 -0.14 0.00 -0.05 0.00 0.00 57.45 54.31 2qt8 n PHE 172 Cb 0.35 -2.07 -0.15 0.00 -0.94 0.00 0.00 39.48 36.67 2qt8 n PHE 172 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2qt8 s PHE 173 N 0.62 0.14 -0.60 1.38 5.36 -1.26 -1.45 117.98 122.17 2qt8 s PHE 173 Ca 0.48 -0.00 -0.11 0.00 -0.96 0.00 0.00 56.93 56.33 2qt8 s PHE 173 Cb 0.14 -0.14 0.15 0.00 -0.34 0.00 0.00 43.02 42.83 2qt8 s PHE 173 CO -0.04 -0.03 0.50 0.42 -1.46 0.00 0.00 175.22 174.61 2qt8 s ILE 174 N 0.21 4.77 0.28 3.12 1.01 0.45 -4.92 121.20 126.12 2qt8 s ILE 174 Ca -0.02 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.62 2qt8 s ILE 174 Cb -0.03 -4.06 0.12 0.00 0.01 0.00 0.00 42.46 38.50 2qt8 s ILE 174 CO -0.01 -0.88 1.79 -0.65 0.00 0.00 0.00 174.94 175.20 2qt8 h PRO 175 N 8.24 0.69 0.00 2.79 0.11 -1.97 -0.95 132.00 140.91 2qt8 h PRO 175 Ca -0.14 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2qt8 h PRO 175 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2qt8 h PRO 175 CO 0.87 0.72 0.00 2.48 -0.21 0.00 0.00 178.00 181.85 2qt8 n TYR 176 N -4.23 0.60 0.45 0.65 0.18 -1.26 -1.64 117.16 111.92 2qt8 n TYR 176 Ca 0.02 0.23 0.06 0.00 1.88 0.00 0.00 57.90 60.09 2qt8 n TYR 176 Cb 0.29 -0.88 0.06 0.00 -0.38 0.00 0.00 39.34 38.43 2qt8 n TYR 176 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qt8 n ARG 177 N -2.05 0.83 -4.00 -3.48 1.74 -0.87 -5.01 116.66 103.82 2qt8 n ARG 177 Ca 0.03 -1.28 -0.27 0.00 -0.77 0.00 0.00 57.85 55.56 2qt8 n ARG 177 Cb 0.22 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 2qt8 n ARG 177 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2qt8 n ASN 178 N 0.67 -0.50 -3.73 0.55 5.15 -0.42 -4.96 115.26 112.03 2qt8 n ASN 178 Ca 0.07 -1.02 -0.14 0.00 -0.60 0.00 0.00 54.58 52.89 2qt8 n ASN 178 Cb 0.31 -2.93 -0.14 0.00 -0.53 0.00 0.00 39.78 36.49 2qt8 n ASN 178 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2qt8 s GLU 179 N -6.65 0.11 0.59 1.20 2.12 -0.96 -5.01 118.70 110.10 2qt8 s GLU 179 Ca 0.07 0.45 -0.19 0.00 0.36 0.00 0.00 54.97 55.66 2qt8 s GLU 179 Cb -0.04 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 2qt8 s GLU 179 CO 0.90 -0.19 1.22 0.00 -0.54 0.00 0.00 175.26 176.65 2qt8 s ALA 180 N 1.41 2.56 0.15 6.30 0.00 -1.26 -0.41 121.76 130.51 2qt8 s ALA 180 Ca -0.07 1.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 2qt8 s ALA 180 Cb -0.11 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 2qt8 s ALA 180 CO -0.07 -1.19 1.45 -0.09 0.00 0.00 0.00 175.76 175.86 2qt8 h ARG 181 N 0.94 0.80 0.00 0.00 2.43 -1.61 -3.46 114.38 113.48 2qt8 h ARG 181 Ca -0.50 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.18 2qt8 h ARG 181 Cb 1.30 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 2qt8 h ARG 181 CO 0.55 1.11 0.00 0.41 -1.51 0.00 0.00 179.97 180.54 2qt8 n GLY 182 N 0.28 3.78 0.68 2.80 0.00 -1.26 -4.82 105.19 106.65 2qt8 n GLY 182 Ca -0.04 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.22 2qt8 n GLY 182 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qt8 n ILE 183 N 0.00 0.19 -0.48 -0.61 -6.64 -0.35 -4.78 119.36 106.69 2qt8 n ILE 183 Ca 0.00 -0.41 0.00 0.00 -1.77 0.00 0.00 62.75 60.57 2qt8 n ILE 183 Cb 0.00 0.62 0.00 0.00 -1.44 0.00 0.00 39.64 38.82 2qt8 n ILE 183 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2qt8 n GLY 184 N 1.23 -0.80 0.00 3.28 0.00 -1.25 -4.90 105.19 102.75 2qt8 n GLY 184 Ca 0.17 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2qt8 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 185 N 0.00 0.20 3.24 -0.02 0.00 -1.26 -2.13 105.19 105.22 2qt8 n GLY 185 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 2qt8 n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qt8 s LEU 186 N 0.00 2.17 -0.11 0.99 1.43 -0.09 -3.93 118.68 119.15 2qt8 s LEU 186 Ca 0.00 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 2qt8 s LEU 186 Cb 0.00 -0.94 0.04 0.00 0.03 0.00 0.00 46.19 45.32 2qt8 s LEU 186 CO 0.00 0.15 0.27 0.12 0.23 0.00 0.00 176.35 177.11 2qt8 s PHE 187 N -0.81 -0.33 0.06 0.29 2.19 -0.31 -1.68 117.98 117.37 2qt8 s PHE 187 Ca 0.07 0.79 -0.16 0.00 0.33 0.00 0.00 56.93 57.95 2qt8 s PHE 187 Cb -0.09 0.09 0.03 0.00 -1.31 0.00 0.00 43.02 41.74 2qt8 s PHE 187 CO 0.02 -0.19 0.37 -0.59 1.83 0.00 0.00 175.22 176.65 2qt8 s PHE 188 N 0.69 -0.19 0.22 10.12 -0.71 -0.30 -4.39 117.98 123.43 2qt8 s PHE 188 Ca -0.04 0.07 -0.15 0.00 -1.04 0.00 0.00 56.93 55.76 2qt8 s PHE 188 Cb -0.06 0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.94 2qt8 s PHE 188 CO -0.04 -0.57 0.50 0.34 -1.34 0.00 0.00 175.22 174.11 2qt8 s ASP 189 N -2.16 -0.17 -1.37 1.98 -1.08 -1.26 -1.21 116.67 111.40 2qt8 s ASP 189 Ca -0.04 -0.70 -0.06 0.00 -0.52 0.00 0.00 52.55 51.24 2qt8 s ASP 189 Cb -0.00 0.58 0.03 0.00 -1.46 0.00 0.00 42.92 42.07 2qt8 s ASP 189 CO -0.04 -1.10 0.42 0.47 0.52 0.00 0.00 175.17 175.44 2qt8 n ASP 190 N -0.35 -4.72 -4.55 -0.34 8.00 -1.11 -4.88 116.55 108.61 2qt8 n ASP 190 Ca -0.06 -0.23 -0.42 0.00 0.71 0.00 0.00 54.79 54.79 2qt8 n ASP 190 Cb 0.62 -3.88 -0.03 0.00 -0.02 0.00 0.00 41.12 37.81 2qt8 n ASP 190 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qt8 s LEU 191 N -6.38 3.43 0.00 0.64 2.96 -0.50 -4.64 118.68 114.20 2qt8 s LEU 191 Ca 0.27 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2qt8 s LEU 191 Cb -0.13 -2.72 0.07 0.00 0.50 0.00 0.00 46.19 43.90 2qt8 s LEU 191 CO 0.34 -1.66 0.84 -0.46 -1.32 0.00 0.00 176.35 174.09 2qt8 n ASN 192 N 8.82 -0.03 0.10 3.68 0.23 -1.26 -1.32 115.26 125.48 2qt8 n ASN 192 Ca 0.04 -1.64 -0.03 0.00 -0.53 0.00 0.00 54.58 52.42 2qt8 n ASN 192 Cb 0.49 -0.05 -0.03 0.00 -2.08 0.00 0.00 39.78 38.10 2qt8 n ASN 192 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qt8 h GLU 193 N 0.15 0.00 -6.42 -3.83 3.07 -1.96 -3.45 114.58 102.14 2qt8 h GLU 193 Ca -0.14 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.27 2qt8 h GLU 193 Cb 1.33 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.25 2qt8 h GLU 193 CO -0.04 0.78 -0.28 -1.58 -1.40 0.00 0.00 179.01 176.50 2qt8 s TRP 194 N -2.89 3.24 0.58 4.33 0.51 -1.26 -5.07 118.94 118.38 2qt8 s TRP 194 Ca 0.02 -0.01 -0.18 0.00 -2.12 0.00 0.00 56.10 53.81 2qt8 s TRP 194 Cb 0.09 -1.99 -0.07 0.00 -0.81 0.00 0.00 33.47 30.69 2qt8 s TRP 194 CO 0.79 -0.01 0.70 -2.30 -0.51 0.00 0.00 176.95 175.62 2qt8 n PRO 195 N -1.73 0.66 -0.23 4.98 -0.02 -1.26 -4.69 135.00 132.71 2qt8 n PRO 195 Ca -0.02 0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.76 2qt8 n PRO 195 Cb 0.58 -1.89 0.15 0.00 -0.02 0.00 0.00 33.50 32.32 2qt8 n PRO 195 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2qt8 h PHE 196 N 0.33 0.15 -0.97 6.00 3.04 -1.98 -1.25 116.94 122.28 2qt8 h PHE 196 Ca -0.47 0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.55 2qt8 h PHE 196 Cb 1.39 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.88 2qt8 h PHE 196 CO 0.34 -0.11 0.64 0.93 -2.02 0.00 0.00 178.31 178.08 2qt8 h GLU 197 N 0.21 1.24 -0.32 1.11 4.39 -1.99 0.19 114.58 119.41 2qt8 h GLU 197 Ca 0.38 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.91 2qt8 h GLU 197 Cb 0.63 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2qt8 h GLU 197 CO -0.51 0.82 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.75 2qt8 h LYS 198 N 1.27 0.69 -0.64 2.33 3.64 -1.60 -1.02 116.57 121.25 2qt8 h LYS 198 Ca 0.37 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2qt8 h LYS 198 Cb -0.08 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2qt8 h LYS 198 CO -0.10 0.91 0.38 0.00 -2.27 0.00 0.00 179.45 178.38 2qt8 h PHE 200 N 0.74 0.66 -0.44 0.00 3.57 -0.80 -1.58 116.94 119.10 2qt8 h PHE 200 Ca 0.26 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2qt8 h PHE 200 Cb 0.06 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2qt8 h PHE 200 CO -0.06 0.57 0.14 0.93 -2.23 0.00 0.00 178.31 177.66 2qt8 h GLU 201 N 0.56 0.65 -0.10 1.11 4.39 -0.92 -1.20 114.58 119.07 2qt8 h GLU 201 Ca 0.15 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2qt8 h GLU 201 Cb 0.18 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2qt8 h GLU 201 CO -0.01 0.57 0.05 0.35 -1.16 0.00 0.00 179.01 178.81 2qt8 h PHE 202 N 0.64 0.15 0.00 4.33 3.57 -0.59 -0.96 116.94 124.07 2qt8 h PHE 202 Ca 0.15 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 2qt8 h PHE 202 Cb 0.19 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2qt8 h PHE 202 CO 0.01 0.20 -0.30 -0.39 -2.23 0.00 0.00 178.31 175.60 2qt8 h VAL 203 N 0.05 1.19 -0.51 1.41 -1.51 -0.94 -0.09 116.25 115.85 2qt8 h VAL 203 Ca 0.04 -1.03 -0.05 0.00 -1.23 0.00 0.00 66.70 64.42 2qt8 h VAL 203 Cb 0.11 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 2qt8 h VAL 203 CO -0.00 0.29 0.11 1.56 -1.23 0.00 0.00 177.57 178.30 2qt8 h GLN 204 N 0.00 0.82 -0.61 5.19 4.20 -1.00 -0.69 115.11 123.01 2qt8 h GLN 204 Ca -0.00 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 2qt8 h GLN 204 Cb 0.54 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2qt8 h GLN 204 CO 0.04 0.79 0.15 0.00 -0.67 0.00 0.00 178.83 179.14 2qt8 h ALA 205 N 0.99 1.11 -0.33 3.87 0.00 -0.44 -1.91 119.26 122.55 2qt8 h ALA 205 Ca 0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2qt8 h ALA 205 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qt8 h ALA 205 CO 0.00 0.60 -0.00 0.28 0.00 0.00 0.00 179.25 180.13 2qt8 h VAL 206 N 0.91 1.26 -0.37 0.00 2.07 -0.86 0.33 116.25 119.59 2qt8 h VAL 206 Ca 0.20 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2qt8 h VAL 206 Cb 0.33 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2qt8 h VAL 206 CO -0.00 0.32 0.24 1.23 0.02 0.00 0.00 177.57 179.37 2qt8 h GLY 207 N 0.39 0.52 0.97 2.17 0.00 -0.93 -1.22 103.07 104.97 2qt8 h GLY 207 Ca 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2qt8 h GLY 207 CO 0.02 0.20 0.17 1.70 0.00 0.00 0.00 176.54 178.63 2qt8 h LYS 208 N 0.49 0.74 -0.89 4.80 3.64 -1.36 -3.06 116.57 120.93 2qt8 h LYS 208 Ca 0.13 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2qt8 h LYS 208 Cb -0.04 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.60 2qt8 h LYS 208 CO -0.03 0.68 0.58 0.78 -2.27 0.00 0.00 179.45 179.19 2qt8 h GLY 209 N 0.65 1.28 -0.76 5.01 0.00 -0.51 -2.26 103.07 106.47 2qt8 h GLY 209 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2qt8 h GLY 209 CO -0.01 0.16 0.00 2.98 0.00 0.00 0.00 176.54 179.67 2qt8 n TYR 210 N -4.55 0.00 0.00 5.60 9.36 -0.50 -0.26 117.16 126.81 2qt8 n TYR 210 Ca 0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.38 2qt8 n TYR 210 Cb 0.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 2qt8 n TYR 210 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2qt8 n ASP 212 N 0.20 0.00 0.04 2.98 8.00 -0.85 -0.90 116.55 126.02 2qt8 n ASP 212 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 2qt8 n ASP 212 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2qt8 n ASP 212 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qt8 h ALA 213 N 0.00 -0.03 0.08 2.24 0.00 -0.91 -3.41 119.26 117.23 2qt8 h ALA 213 Ca 0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 54.91 53.76 2qt8 h ALA 213 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2qt8 h ALA 213 CO 0.00 0.48 -2.08 0.98 0.00 0.00 0.00 179.25 178.63 2qt8 n TYR 214 N -4.09 0.86 -0.21 0.00 9.36 -0.08 -4.31 117.16 118.70 2qt8 n TYR 214 Ca -0.17 0.20 -0.06 0.00 3.32 0.00 0.00 57.90 61.20 2qt8 n TYR 214 Cb 0.84 -1.11 0.04 0.00 -0.63 0.00 0.00 39.34 38.48 2qt8 n TYR 214 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2qt8 h ILE 215 N -0.10 1.13 -0.66 2.97 1.08 -1.81 -1.43 117.51 118.69 2qt8 h ILE 215 Ca -0.47 -0.27 0.05 0.00 -0.39 0.00 0.00 64.86 63.78 2qt8 h ILE 215 Cb 1.91 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 2qt8 h ILE 215 CO -0.01 0.14 0.43 -0.65 -0.69 0.00 0.00 178.15 177.38 2qt8 h PRO 216 N 0.78 0.71 -0.21 2.37 0.11 -1.79 -0.83 132.00 133.14 2qt8 h PRO 216 Ca 0.22 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 2qt8 h PRO 216 Cb -0.07 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 2qt8 h PRO 216 CO -0.06 0.47 0.02 0.82 -0.21 0.00 0.00 178.00 179.04 2qt8 h ILE 217 N 0.73 1.24 -0.26 4.15 2.04 -1.53 -1.21 117.51 122.67 2qt8 h ILE 217 Ca 0.27 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.36 2qt8 h ILE 217 Cb 0.15 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2qt8 h ILE 217 CO -0.08 0.25 -0.03 0.58 0.00 0.00 0.00 178.15 178.87 2qt8 h VAL 218 N 0.13 0.77 -0.86 1.67 2.07 -0.75 -1.75 116.25 117.53 2qt8 h VAL 218 Ca 0.06 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.62 2qt8 h VAL 218 Cb 0.36 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 2qt8 h VAL 218 CO 0.01 0.01 0.55 -1.13 0.02 0.00 0.00 177.57 177.02 2qt8 h ASN 219 N 0.04 0.88 0.88 0.57 -0.73 -1.05 -0.42 115.58 115.75 2qt8 h ASN 219 Ca 0.13 0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.20 2qt8 h ASN 219 Cb 0.18 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 2qt8 h ASN 219 CO -0.24 0.58 -0.47 -0.09 -0.37 0.00 0.00 177.43 176.84 2qt8 h ARG 220 N 1.03 0.00 0.00 6.67 2.43 -0.77 -3.37 114.38 120.37 2qt8 h ARG 220 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2qt8 h ARG 220 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2qt8 h ARG 220 CO -0.15 0.47 -1.15 0.54 -1.51 0.00 0.00 179.97 178.17 2qt8 n ARG 221 N -3.54 0.72 0.22 0.20 5.12 -0.70 -4.73 116.66 113.95 2qt8 n ARG 221 Ca -0.00 -0.05 0.16 0.00 -1.93 0.00 0.00 57.85 56.03 2qt8 n ARG 221 Cb 0.58 -1.10 0.82 0.00 -1.16 0.00 0.00 32.46 31.60 2qt8 n ARG 221 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 2qt8 h LYS 222 N 0.00 0.00 -0.61 5.56 2.10 -1.23 -1.32 116.57 121.07 2qt8 h LYS 222 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qt8 h LYS 222 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2qt8 h LYS 222 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 2qt8 n ASN 223 N -3.94 3.71 -4.72 7.07 5.03 -1.26 -4.89 115.26 116.25 2qt8 n ASN 223 Ca 0.00 -1.99 -0.42 0.00 0.87 0.00 0.00 54.58 53.04 2qt8 n ASN 223 Cb 0.25 -0.40 -0.03 0.00 -1.02 0.00 0.00 39.78 38.58 2qt8 n ASN 223 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qt8 s THR 224 N -1.20 2.31 0.52 3.41 2.01 -0.50 -4.96 115.64 117.24 2qt8 s THR 224 Ca 0.45 0.23 -0.22 0.00 0.31 0.00 0.00 61.69 62.46 2qt8 s THR 224 Cb 0.24 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 2qt8 s THR 224 CO 0.32 0.02 1.27 -2.84 -0.69 0.00 0.00 174.62 172.71 2qt8 s PRO 225 N 0.96 3.32 0.16 4.92 0.02 -1.26 -4.93 135.00 138.18 2qt8 s PRO 225 Ca 0.71 2.02 -0.09 0.00 0.02 0.00 0.00 61.00 63.66 2qt8 s PRO 225 Cb -0.47 -2.26 -0.01 0.00 0.02 0.00 0.00 34.50 31.79 2qt8 s PRO 225 CO 0.33 -0.98 0.29 1.52 -0.33 0.00 0.00 177.00 177.83 2qt8 s TYR 226 N -1.42 0.33 0.37 6.54 1.13 -1.26 -5.01 117.35 118.03 2qt8 s TYR 226 Ca 0.70 -0.70 0.08 0.00 -1.41 0.00 0.00 57.07 55.74 2qt8 s TYR 226 Cb -0.35 -0.03 -0.06 0.00 -1.10 0.00 0.00 41.96 40.42 2qt8 s TYR 226 CO 0.41 -0.71 0.03 0.95 -2.51 0.00 0.00 175.55 173.72 2qt8 s THR 227 N -3.95 2.40 0.42 -3.49 -4.23 -1.26 -5.03 115.64 100.50 2qt8 s THR 227 Ca 0.15 -1.96 0.12 0.00 -1.18 0.00 0.00 61.69 58.82 2qt8 s THR 227 Cb 0.03 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 71.20 2qt8 s THR 227 CO -0.02 -0.13 1.96 -0.33 -0.54 0.00 0.00 174.62 175.57 2qt8 h GLU 228 N 1.76 0.15 -0.49 3.99 4.39 -2.02 -2.29 114.58 120.06 2qt8 h GLU 228 Ca -0.43 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.16 2qt8 h GLU 228 Cb 1.25 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 2qt8 h GLU 228 CO 0.70 0.28 -0.02 1.96 -1.16 0.00 0.00 179.01 180.78 2qt8 h GLN 229 N 0.14 0.83 -0.09 2.33 7.50 -1.99 -0.49 115.11 123.33 2qt8 h GLN 229 Ca 0.03 -0.24 -0.12 0.00 0.50 0.00 0.00 58.65 58.82 2qt8 h GLN 229 Cb 0.32 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 2qt8 h GLN 229 CO 0.02 0.85 -0.50 1.96 -1.50 0.00 0.00 178.83 179.66 2qt8 h GLN 230 N 0.77 0.25 -0.62 1.46 4.20 -1.83 -1.79 115.11 117.54 2qt8 h GLN 230 Ca 0.14 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2qt8 h GLN 230 Cb 0.49 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2qt8 h GLN 230 CO 0.02 0.69 0.01 0.28 -0.67 0.00 0.00 178.83 179.17 2qt8 h VAL 231 N 0.20 1.27 -0.33 -0.54 2.07 -1.04 -1.26 116.25 116.61 2qt8 h VAL 231 Ca 0.01 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.42 2qt8 h VAL 231 Cb 0.95 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2qt8 h VAL 231 CO 0.08 0.42 0.12 -0.08 0.02 0.00 0.00 177.57 178.13 2qt8 h GLU 232 N 0.99 0.26 -0.08 1.57 4.81 -0.73 -0.21 114.58 121.19 2qt8 h GLU 232 Ca 0.18 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2qt8 h GLU 232 Cb 0.55 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2qt8 h GLU 232 CO 0.03 0.17 -0.03 0.35 -0.73 0.00 0.00 179.01 178.80 2qt8 h PHE 233 N 0.27 -0.07 -0.81 0.92 3.57 -1.21 -1.70 116.94 117.92 2qt8 h PHE 233 Ca 0.15 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.82 2qt8 h PHE 233 Cb 0.11 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 38.79 2qt8 h PHE 233 CO -0.13 -0.05 0.33 0.37 -2.23 0.00 0.00 178.31 176.60 2qt8 h GLN 234 N -0.02 0.43 -0.35 1.11 4.15 -0.79 0.33 115.11 119.97 2qt8 h GLN 234 Ca 0.04 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.29 2qt8 h GLN 234 Cb 0.09 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2qt8 h GLN 234 CO -0.10 0.28 -0.38 0.93 -1.93 0.00 0.00 178.83 177.63 2qt8 h GLU 235 N 0.44 0.83 -0.56 1.69 5.08 -0.58 0.25 114.58 121.72 2qt8 h GLU 235 Ca 0.46 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2qt8 h GLU 235 Cb 0.75 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2qt8 h GLU 235 CO -0.44 1.06 0.15 0.74 -1.00 0.00 0.00 179.01 179.52 2qt8 h PHE 236 N 0.68 0.93 -0.47 4.33 0.04 -0.68 -0.81 116.94 120.96 2qt8 h PHE 236 Ca 0.06 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 2qt8 h PHE 236 Cb 0.95 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 2qt8 h PHE 236 CO 0.05 0.79 0.22 0.00 -0.60 0.00 0.00 178.31 178.78 2qt8 h ARG 237 N 0.79 0.66 0.00 1.51 2.47 -0.76 -2.11 114.38 116.94 2qt8 h ARG 237 Ca 0.18 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 2qt8 h ARG 237 Cb 0.32 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2qt8 h ARG 237 CO -0.00 0.51 -0.07 0.00 0.56 0.00 0.00 179.97 180.97 2qt8 h ARG 238 N 0.66 0.00 -0.87 0.04 3.08 -0.59 -1.18 114.38 115.51 2qt8 h ARG 238 Ca 0.17 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.24 2qt8 h ARG 238 Cb 0.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 2qt8 h ARG 238 CO -0.02 0.07 0.57 0.78 -1.07 0.00 0.00 179.97 180.30 2qt8 h GLY 239 N 1.41 1.23 1.12 0.04 0.00 -1.05 -1.41 103.07 104.42 2qt8 h GLY 239 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 2qt8 h GLY 239 CO 0.01 0.41 0.26 3.21 0.00 0.00 0.00 176.54 180.43 2qt8 h ARG 240 N 1.13 1.11 -0.21 4.80 2.47 -1.27 -1.40 114.38 121.02 2qt8 h ARG 240 Ca 0.33 -0.21 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 2qt8 h ARG 240 Cb -0.06 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 2qt8 h ARG 240 CO -0.09 0.92 0.01 -0.92 0.56 0.00 0.00 179.97 180.45 2qt8 h TYR 241 N 1.08 0.39 -0.58 3.04 3.20 -1.32 -1.66 116.97 121.12 2qt8 h TYR 241 Ca 0.24 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.09 2qt8 h TYR 241 Cb 0.25 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 2qt8 h TYR 241 CO 0.02 0.54 0.32 0.00 -1.64 0.00 0.00 178.16 177.40 2qt8 h ALA 242 N 0.80 0.76 -0.21 1.82 0.00 -1.19 -2.20 119.26 119.05 2qt8 h ALA 242 Ca 0.06 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2qt8 h ALA 242 Cb 0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2qt8 h ALA 242 CO 0.01 0.00 -0.03 0.93 0.00 0.00 0.00 179.25 180.16 2qt8 h GLU 243 N 0.61 0.03 -0.14 0.00 5.08 -1.06 -0.78 114.58 118.31 2qt8 h GLU 243 Ca 0.25 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2qt8 h GLU 243 Cb 0.12 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2qt8 h GLU 243 CO -0.15 0.02 0.00 0.35 -1.00 0.00 0.00 179.01 178.23 2qt8 h PHE 244 N 0.03 0.00 -0.39 4.33 3.04 -0.97 0.39 116.94 123.37 2qt8 h PHE 244 Ca 0.10 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 2qt8 h PHE 244 Cb 0.14 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 2qt8 h PHE 244 CO -0.20 -0.01 -0.10 -0.91 -2.02 0.00 0.00 178.31 175.07 2qt8 h ASN 245 N 0.05 0.65 0.56 0.41 2.35 -1.20 0.06 115.58 118.47 2qt8 h ASN 245 Ca 0.07 -0.18 -0.28 0.00 -0.55 0.00 0.00 56.30 55.35 2qt8 h ASN 245 Cb 0.08 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2qt8 h ASN 245 CO -0.11 0.79 -1.56 -0.07 -1.65 0.00 0.00 177.43 174.83 2qt8 h LEU 246 N 0.62 0.09 0.07 1.61 3.38 -0.98 -3.34 115.31 116.76 2qt8 h LEU 246 Ca 0.11 -0.15 -0.38 0.00 0.09 0.00 0.00 57.88 57.55 2qt8 h LEU 246 Cb 0.53 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2qt8 h LEU 246 CO 0.03 1.13 -2.22 0.52 0.09 0.00 0.00 178.44 178.00 2qt8 n VAL 247 N -3.20 1.64 -0.06 1.22 0.31 0.11 -4.84 118.33 113.51 2qt8 n VAL 247 Ca -0.15 -0.62 -0.11 0.00 -0.01 0.00 0.00 64.34 63.45 2qt8 n VAL 247 Cb 1.03 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 32.34 2qt8 n VAL 247 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2qt8 n ILE 248 N -3.37 0.69 -1.68 2.52 2.08 -0.17 -5.02 119.36 114.41 2qt8 n ILE 248 Ca -0.38 -0.22 -0.45 0.00 0.56 0.00 0.00 62.75 62.26 2qt8 n ILE 248 Cb 1.02 -1.29 -0.04 0.00 -0.75 0.00 0.00 39.64 38.59 2qt8 n ILE 248 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2qt8 n ASP 249 N -3.20 3.65 -0.08 4.38 2.03 -0.17 -4.89 116.55 118.26 2qt8 n ASP 249 Ca -0.23 1.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.94 2qt8 n ASP 249 Cb 0.70 -1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 39.59 2qt8 n ASP 249 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2qt8 h ARG 250 N 8.32 0.59 -0.29 -0.67 2.43 -1.92 -2.22 114.38 120.62 2qt8 h ARG 250 Ca -0.47 -0.31 0.02 0.00 -0.81 0.00 0.00 59.98 58.41 2qt8 h ARG 250 Cb 1.25 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 2qt8 h ARG 250 CO 0.93 0.91 0.13 0.78 -1.51 0.00 0.00 179.97 181.21 2qt8 h GLY 251 N 0.29 0.38 0.92 2.80 0.00 -1.96 0.13 103.07 105.63 2qt8 h GLY 251 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2qt8 h GLY 251 CO 0.06 0.07 -0.10 -0.84 0.00 0.00 0.00 176.54 175.73 2qt8 h THR 252 N 0.28 0.79 -0.32 4.70 2.02 -1.85 -0.87 112.91 117.66 2qt8 h THR 252 Ca 0.12 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.36 2qt8 h THR 252 Cb 0.05 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 2qt8 h THR 252 CO -0.09 0.00 -0.06 0.11 0.37 0.00 0.00 175.52 175.85 2qt8 h LYS 253 N -0.24 0.02 -0.17 6.66 1.57 -1.10 -1.58 116.57 121.74 2qt8 h LYS 253 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qt8 h LYS 253 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2qt8 h LYS 253 CO -0.00 0.02 0.11 0.74 -0.57 0.00 0.00 179.45 179.74 2qt8 h PHE 254 N 0.02 0.21 -0.57 -1.35 0.04 -0.60 -1.38 116.94 113.32 2qt8 h PHE 254 Ca 0.16 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.97 2qt8 h PHE 254 Cb 0.23 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 2qt8 h PHE 254 CO -0.28 0.14 0.33 0.78 -0.60 0.00 0.00 178.31 178.68 2qt8 h GLY 255 N 0.22 0.82 1.84 -1.45 0.00 -0.86 -0.18 103.07 103.47 2qt8 h GLY 255 Ca 0.06 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 2qt8 h GLY 255 CO -0.01 0.19 -0.63 1.41 0.00 0.00 0.00 176.54 177.50 2qt8 h LEU 256 N 0.65 0.18 0.00 3.11 3.38 -1.14 0.29 115.31 121.79 2qt8 h LEU 256 Ca 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qt8 h LEU 256 Cb 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qt8 h LEU 256 CO -0.12 0.76 -0.58 0.00 0.09 0.00 0.00 178.44 178.59 2qt8 n GLN 257 N -3.84 0.24 -0.20 1.13 10.64 -0.53 -4.15 117.38 120.67 2qt8 n GLN 257 Ca -0.02 0.07 0.08 0.00 -1.83 0.00 0.00 57.00 55.30 2qt8 n GLN 257 Cb 0.63 -1.66 0.19 0.00 -0.86 0.00 0.00 30.24 28.54 2qt8 n GLN 257 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2qt8 n SER 258 N -2.01 3.11 0.00 2.61 3.41 -0.10 -4.88 113.62 115.76 2qt8 n SER 258 Ca 0.04 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 2qt8 n SER 258 Cb 0.42 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2qt8 n SER 258 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qt8 n GLY 259 N 0.91 0.74 3.65 5.00 0.00 -1.17 -4.99 105.19 109.33 2qt8 n GLY 259 Ca 0.15 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 2qt8 n GLY 259 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qt8 s GLY 260 N -2.74 1.56 -0.56 -0.02 0.00 0.10 -4.95 107.32 100.71 2qt8 s GLY 260 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 44.72 44.03 2qt8 s GLY 260 CO 0.00 0.24 1.05 -1.60 0.00 0.00 0.00 173.10 172.79 2qt8 s ARG 261 N -4.96 3.42 0.17 2.90 3.52 -1.26 -4.86 118.95 117.88 2qt8 s ARG 261 Ca 0.66 -0.02 -0.17 0.00 -0.13 0.00 0.00 55.73 56.06 2qt8 s ARG 261 Cb -0.18 -4.03 0.11 0.00 -1.56 0.00 0.00 34.95 29.29 2qt8 s ARG 261 CO 0.58 -1.57 1.65 1.15 -0.81 0.00 0.00 175.30 176.30 2qt8 h THR 262 N 6.08 0.49 0.00 4.11 2.02 -1.92 -0.68 112.91 123.01 2qt8 h THR 262 Ca -0.26 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 2qt8 h THR 262 Cb 1.07 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2qt8 h THR 262 CO 1.13 0.00 -0.44 -0.33 0.37 0.00 0.00 175.52 176.25 2qt8 h GLU 263 N -0.06 0.00 -0.22 6.66 4.39 -1.96 0.16 114.58 123.56 2qt8 h GLU 263 Ca 0.21 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 2qt8 h GLU 263 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2qt8 h GLU 263 CO -0.47 0.44 -0.22 0.77 -1.16 0.00 0.00 179.01 178.37 2qt8 h SER 264 N 0.00 0.57 -0.49 1.42 0.02 -1.75 -3.05 113.55 110.28 2qt8 h SER 264 Ca -0.00 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2qt8 h SER 264 Cb 0.85 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 2qt8 h SER 264 CO 0.06 0.93 0.20 0.40 -1.14 0.00 0.00 176.83 177.27 2qt8 h ILE 265 N 0.22 1.21 -0.37 3.27 2.04 -0.72 -3.19 117.51 119.98 2qt8 h ILE 265 Ca 0.03 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2qt8 h ILE 265 Cb 0.77 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2qt8 h ILE 265 CO 0.05 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.63 2qt8 n LEU 266 N -4.57 2.39 0.30 1.44 4.77 0.01 -3.90 117.00 117.44 2qt8 n LEU 266 Ca 0.01 -1.20 0.19 0.00 -0.03 0.00 0.00 56.01 54.98 2qt8 n LEU 266 Cb 0.15 -0.34 0.96 0.00 -2.33 0.00 0.00 43.42 41.87 2qt8 n LEU 266 CO 0.38 0.50 1.15 0.16 -1.33 0.00 0.00 177.39 178.26 2qt8 h ILE 267 N 2.22 0.13 0.00 -0.08 3.07 -1.52 -1.81 117.51 119.53 2qt8 h ILE 267 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 2qt8 h ILE 267 Cb 0.69 0.82 -0.00 0.00 -0.27 0.00 0.00 36.82 38.06 2qt8 h ILE 267 CO 0.06 0.00 -0.07 0.77 -1.05 0.00 0.00 178.15 177.86 2qt8 h SER 268 N 0.00 0.00 -3.99 2.16 4.64 -1.85 -3.44 113.55 111.08 2qt8 h SER 268 Ca 0.03 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.85 2qt8 h SER 268 Cb 0.40 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.54 2qt8 h SER 268 CO -0.00 0.07 0.46 -0.76 -0.87 0.00 0.00 176.83 175.73 2qt8 s LEU 269 N -7.25 4.05 0.68 5.97 1.43 -0.68 -4.94 118.68 117.93 2qt8 s LEU 269 Ca -0.03 2.22 -0.14 0.00 -1.03 0.00 0.00 54.13 55.15 2qt8 s LEU 269 Cb 0.13 -4.22 0.01 0.00 0.03 0.00 0.00 46.19 42.14 2qt8 s LEU 269 CO 0.56 -0.78 1.10 -2.16 0.23 0.00 0.00 176.35 175.29 2qt8 s PRO 270 N -2.64 2.75 0.26 1.29 0.04 -1.26 -4.94 135.00 130.49 2qt8 s PRO 270 Ca 0.62 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 2qt8 s PRO 270 Cb -0.27 -1.95 0.33 0.00 0.04 0.00 0.00 34.50 32.65 2qt8 s PRO 270 CO 0.33 -1.28 1.76 -1.00 0.04 0.00 0.00 177.00 176.84 2qt8 h PRO 271 N -0.19 0.80 -3.54 0.56 0.13 -1.94 -3.43 132.00 124.39 2qt8 h PRO 271 Ca -0.46 -0.21 -0.24 0.00 -0.87 0.00 0.00 66.00 64.22 2qt8 h PRO 271 Cb 1.24 -0.09 -0.29 0.00 0.13 0.00 0.00 31.00 31.98 2qt8 h PRO 271 CO 0.54 0.80 -0.66 1.03 -0.23 0.00 0.00 178.00 179.48 2qt8 s ARG 272 N -4.99 0.04 0.05 0.86 0.52 -1.26 -5.16 118.95 109.02 2qt8 s ARG 272 Ca -0.09 0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.28 2qt8 s ARG 272 Cb 0.15 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.53 2qt8 s ARG 272 CO 0.81 -0.06 -0.09 0.00 0.02 0.00 0.00 175.30 175.98 2qt8 s ALA 273 N 0.41 0.70 0.12 2.13 0.00 -1.26 -4.72 121.76 119.14 2qt8 s ALA 273 Ca -0.03 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.15 2qt8 s ALA 273 Cb -0.05 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2qt8 s ALA 273 CO -0.01 -0.02 -0.22 1.03 0.00 0.00 0.00 175.76 176.53 2qt8 s ARG 274 N -1.87 1.21 -0.02 0.00 0.52 -0.34 -4.93 118.95 113.53 2qt8 s ARG 274 Ca -0.06 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 2qt8 s ARG 274 Cb -0.08 -1.51 0.00 0.00 0.52 0.00 0.00 34.95 33.88 2qt8 s ARG 274 CO 0.00 0.35 -0.07 -1.58 0.02 0.00 0.00 175.30 174.02 2qt8 s TRP 275 N -1.25 0.74 0.02 -0.53 0.51 -1.26 -4.18 118.94 112.99 2qt8 s TRP 275 Ca 0.09 -0.17 0.03 0.00 -2.12 0.00 0.00 56.10 53.94 2qt8 s TRP 275 Cb -0.09 -0.53 -0.02 0.00 -0.81 0.00 0.00 33.47 32.02 2qt8 s TRP 275 CO 0.05 -0.07 -0.09 0.20 -0.51 0.00 0.00 176.95 176.52 2qt8 s GLY 276 N 0.18 0.53 0.06 0.98 0.00 -1.26 -5.08 107.32 102.72 2qt8 s GLY 276 Ca -0.02 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.80 2qt8 s GLY 276 CO 0.00 -0.57 1.87 -0.47 0.00 0.00 0.00 173.10 173.93 2qt8 s TYR 277 N -0.70 1.70 -1.68 1.90 5.04 -1.26 -1.93 117.35 120.42 2qt8 s TYR 277 Ca -0.01 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 2qt8 s TYR 277 Cb -0.06 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.08 2qt8 s TYR 277 CO 0.00 -5.06 0.00 0.09 -1.34 0.00 0.00 175.55 169.24 2qt8 n ASN 278 N 6.77 -5.13 -4.71 4.32 3.02 -1.26 -4.91 115.26 113.36 2qt8 n ASN 278 Ca 0.19 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.50 2qt8 n ASN 278 Cb 0.40 -4.39 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 2qt8 n ASN 278 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2qt8 s TRP 279 N -2.79 2.84 0.03 3.10 -0.00 -0.81 -5.00 118.94 116.31 2qt8 s TRP 279 Ca 0.00 0.46 -0.08 0.00 -0.00 0.00 0.00 56.10 56.47 2qt8 s TRP 279 Cb 0.00 -4.00 0.00 0.00 -0.00 0.00 0.00 33.47 29.47 2qt8 s TRP 279 CO 0.00 -3.82 0.17 1.14 -0.00 0.00 0.00 176.95 174.44 2qt8 s GLN 280 N 1.53 0.62 0.81 5.86 -2.07 -1.26 -4.99 119.66 120.16 2qt8 s GLN 280 Ca 0.73 -0.58 -0.11 0.00 -1.82 0.00 0.00 55.36 53.58 2qt8 s GLN 280 Cb -0.45 0.26 0.08 0.00 -1.09 0.00 0.00 33.01 31.81 2qt8 s GLN 280 CO 0.32 -0.17 1.10 -1.25 -1.32 0.00 0.00 175.29 173.97 2qt8 s PRO 281 N -2.23 1.95 0.42 9.60 0.04 -1.26 -4.98 135.00 138.53 2qt8 s PRO 281 Ca -0.08 1.18 -0.25 0.00 0.04 0.00 0.00 61.00 61.89 2qt8 s PRO 281 Cb -0.03 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2qt8 s PRO 281 CO -0.02 -1.86 1.24 -1.21 0.04 0.00 0.00 177.00 175.18 2qt8 s GLU 282 N -4.87 3.90 0.49 4.56 0.41 -1.26 -4.84 118.70 117.09 2qt8 s GLU 282 Ca 0.62 2.00 -0.23 0.00 -0.41 0.00 0.00 54.97 56.95 2qt8 s GLU 282 Cb -0.18 -2.64 -0.07 0.00 -1.78 0.00 0.00 34.13 29.47 2qt8 s GLU 282 CO 0.56 -0.50 1.24 -1.25 -0.49 0.00 0.00 175.26 174.82 2qt8 s PRO 283 N -2.38 3.55 -0.53 0.39 0.04 -1.26 -3.34 135.00 131.48 2qt8 s PRO 283 Ca 0.59 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2qt8 s PRO 283 Cb -0.34 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2qt8 s PRO 283 CO 0.43 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2qt8 n GLY 284 N 0.55 0.75 3.82 0.56 0.00 -1.26 -5.02 105.19 104.59 2qt8 n GLY 284 Ca 0.08 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2qt8 n GLY 284 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qt8 s THR 285 N -2.08 4.16 0.44 2.61 -4.23 -1.21 -5.01 115.64 110.32 2qt8 s THR 285 Ca 0.00 -1.41 0.14 0.00 -1.18 0.00 0.00 61.69 59.23 2qt8 s THR 285 Cb 0.00 -3.32 0.32 0.00 1.34 0.00 0.00 72.50 70.84 2qt8 s THR 285 CO 0.00 -0.30 1.99 -0.65 -0.54 0.00 0.00 174.62 175.11 2qt8 h PRO 286 N 1.44 0.39 -0.31 3.99 0.11 -1.95 -1.89 132.00 133.77 2qt8 h PRO 286 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2qt8 h PRO 286 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2qt8 h PRO 286 CO 0.60 0.26 0.19 0.93 -0.21 0.00 0.00 178.00 179.77 2qt8 h GLU 287 N 0.40 0.38 -0.17 1.05 3.07 -1.90 -2.62 114.58 114.78 2qt8 h GLU 287 Ca 0.26 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 2qt8 h GLU 287 Cb 0.51 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2qt8 h GLU 287 CO -0.07 0.25 -0.10 0.00 -1.40 0.00 0.00 179.01 177.69 2qt8 h ALA 288 N 1.13 1.52 0.00 3.43 0.00 -1.54 -2.98 119.26 120.82 2qt8 h ALA 288 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qt8 h ALA 288 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qt8 h ALA 288 CO -0.05 0.34 -0.05 -0.09 0.00 0.00 0.00 179.25 179.41 2qt8 h ARG 289 N 0.26 0.00 0.38 0.00 2.43 -1.02 -1.39 114.38 115.04 2qt8 h ARG 289 Ca 0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2qt8 h ARG 289 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2qt8 h ARG 289 CO 0.02 0.05 -0.38 1.25 -1.51 0.00 0.00 179.97 179.40 2qt8 h LEU 290 N 0.00 -1.04 0.02 3.80 5.85 -1.54 -0.54 115.31 121.86 2qt8 h LEU 290 Ca -0.00 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.57 2qt8 h LEU 290 Cb 0.22 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2qt8 h LEU 290 CO 0.01 -0.53 -1.08 0.71 -0.34 0.00 0.00 178.44 177.21 2qt8 h THR 291 N -0.78 1.60 -0.12 1.05 1.35 -1.68 -0.01 112.91 114.32 2qt8 h THR 291 Ca -0.03 -3.18 -0.18 0.00 -0.55 0.00 0.00 66.41 62.47 2qt8 h THR 291 Cb 0.70 2.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.96 2qt8 h THR 291 CO -0.07 0.92 -0.69 -0.33 -0.25 0.00 0.00 175.52 175.11 2qt8 h GLU 292 N 0.04 0.49 0.00 4.72 5.08 -1.26 -3.40 114.58 120.25 2qt8 h GLU 292 Ca -0.07 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2qt8 h GLU 292 Cb 1.82 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2qt8 h GLU 292 CO 0.16 1.00 -0.01 0.98 -1.00 0.00 0.00 179.01 180.14 2qt8 n TYR 293 N -3.88 -0.05 -0.13 4.33 9.36 -0.25 -4.76 117.16 121.78 2qt8 n TYR 293 Ca -0.04 0.01 -0.09 0.00 3.32 0.00 0.00 57.90 61.10 2qt8 n TYR 293 Cb 0.68 0.01 -0.00 0.00 -0.63 0.00 0.00 39.34 39.40 2qt8 n TYR 293 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2qt8 h PHE 294 N 0.00 0.53 0.00 2.98 0.04 -1.00 -2.09 116.94 117.40 2qt8 h PHE 294 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2qt8 h PHE 294 Cb 0.01 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 37.98 2qt8 h PHE 294 CO 0.00 0.41 0.00 -0.07 -0.60 0.00 0.00 178.31 178.05 2qt8 h LEU 295 N 0.50 0.00 -0.48 1.54 3.38 -1.23 -3.24 115.31 115.78 2qt8 h LEU 295 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qt8 h LEU 295 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qt8 h LEU 295 CO -0.02 0.00 -0.45 0.35 0.09 0.00 0.00 178.44 178.40 2qt8 n THR 296 N -2.41 0.00 0.12 0.22 -2.24 -1.06 -4.63 114.28 104.28 2qt8 n THR 296 Ca 0.04 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 2qt8 n THR 296 Cb 0.35 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 2qt8 n THR 296 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qt8 h LYS 297 N 0.92 -0.28 0.00 -0.78 3.64 -1.41 -3.46 116.57 115.20 2qt8 h LYS 297 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qt8 h LYS 297 Cb 0.42 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2qt8 h LYS 297 CO 0.00 0.02 0.00 0.54 -2.27 0.00 0.00 179.45 177.74 2qt8 n ARG 298 N -5.09 0.00 -2.86 1.90 1.74 -1.26 -4.88 116.66 106.21 2qt8 n ARG 298 Ca -0.09 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.56 2qt8 n ARG 298 Cb 0.23 -0.17 -0.04 0.00 -1.02 0.00 0.00 32.46 31.46 2qt8 n ARG 298 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qt8 s GLN 299 N 0.00 3.22 -0.08 5.56 2.00 -1.26 -4.85 119.66 124.25 2qt8 s GLN 299 Ca 0.00 -0.54 0.08 0.00 -2.00 0.00 0.00 55.36 52.91 2qt8 s GLN 299 Cb 0.00 -4.13 -0.12 0.00 0.80 0.00 0.00 33.01 29.56 2qt8 s GLN 299 CO 0.00 -1.62 0.06 0.91 -0.50 0.00 0.00 175.29 174.14 2qt8 n TRP 300 N 7.54 0.00 -0.18 1.67 7.02 -1.26 -5.10 117.44 127.13 2qt8 n TRP 300 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 2qt8 n TRP 300 Cb 0.47 -0.41 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 2qt8 n TRP 300 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00