#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inn s MET 1 N 0.00 4.09 0.28 0.00 -2.45 -1.26 -4.98 119.30 114.98 3inn s MET 1 Ca 0.00 2.10 -0.29 0.00 -1.25 0.00 0.00 55.69 56.25 3inn s MET 1 Cb 0.00 -4.01 -0.10 0.00 1.25 0.00 0.00 34.83 31.98 3inn s MET 1 CO 0.00 -0.96 1.16 -0.65 1.05 0.00 0.00 175.02 175.62 3inn s GLN 2 N 4.21 4.56 -0.22 4.11 -0.21 -0.73 -4.92 119.66 126.47 3inn s GLN 2 Ca 0.74 1.91 -0.06 0.00 0.02 0.00 0.00 55.36 57.97 3inn s GLN 2 Cb -0.32 -3.17 -0.02 0.00 1.00 0.00 0.00 33.01 30.50 3inn s GLN 2 CO 0.30 0.09 0.02 0.42 -2.12 0.00 0.00 175.29 174.00 3inn s ILE 3 N -1.06 3.98 0.05 1.08 1.01 -1.26 -0.43 121.20 124.56 3inn s ILE 3 Ca 0.46 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.89 3inn s ILE 3 Cb -0.34 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 3inn s ILE 3 CO 0.43 0.39 -0.21 -0.63 0.00 0.00 0.00 174.94 174.93 3inn s ILE 4 N 1.33 1.69 -0.07 2.92 1.01 0.90 -4.96 121.20 124.03 3inn s ILE 4 Ca 0.04 -1.27 0.05 0.00 0.00 0.00 0.00 60.65 59.48 3inn s ILE 4 Cb -0.15 -1.48 -0.08 0.00 0.01 0.00 0.00 42.46 40.76 3inn s ILE 4 CO 0.01 0.17 0.01 1.41 0.00 0.00 0.00 174.94 176.54 3inn n HIS 5 N 1.71 0.00 -4.09 3.97 8.25 -1.26 -0.18 115.22 123.62 3inn n HIS 5 Ca -0.18 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.07 3inn n HIS 5 Cb 0.53 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 3inn n HIS 5 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3inn s THR 6 N -2.16 4.43 0.03 1.59 -4.23 -1.26 -3.75 115.64 110.29 3inn s THR 6 Ca -0.04 -1.38 -0.26 0.00 -1.18 0.00 0.00 61.69 58.83 3inn s THR 6 Cb 0.02 -3.41 -0.17 0.00 1.34 0.00 0.00 72.50 70.28 3inn s THR 6 CO 0.25 -0.34 1.36 0.40 -0.54 0.00 0.00 174.62 175.75 3inn h ILE 7 N 1.46 0.74 -0.22 2.99 2.04 -1.97 -2.13 117.51 120.41 3inn h ILE 7 Ca -0.48 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3inn h ILE 7 Cb 1.24 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3inn h ILE 7 CO 0.61 0.10 0.15 -0.33 0.00 0.00 0.00 178.15 178.67 3inn h GLU 8 N -0.66 0.29 -0.24 2.37 5.08 -1.97 -0.93 114.58 118.53 3inn h GLU 8 Ca -0.04 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3inn h GLU 8 Cb 0.46 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3inn h GLU 8 CO 0.07 0.19 -0.20 0.93 -1.00 0.00 0.00 179.01 179.00 3inn h GLU 9 N 0.30 0.55 -0.30 2.33 5.08 -1.96 -2.62 114.58 117.96 3inn h GLU 9 Ca 0.08 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3inn h GLU 9 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3inn h GLU 9 CO -0.02 0.86 0.20 1.25 -1.00 0.00 0.00 179.01 180.30 3inn h LEU 10 N 0.26 0.34 -1.06 1.33 5.85 -0.54 -1.49 115.31 120.00 3inn h LEU 10 Ca 0.04 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3inn h LEU 10 Cb 0.74 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 3inn h LEU 10 CO 0.05 0.25 0.63 0.03 -0.34 0.00 0.00 178.44 179.06 3inn h ARG 11 N 0.41 1.25 -0.47 1.25 3.08 -1.26 -2.38 114.38 116.25 3inn h ARG 11 Ca 0.11 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3inn h ARG 11 Cb -0.05 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.70 3inn h ARG 11 CO -0.02 0.83 0.10 0.37 -1.07 0.00 0.00 179.97 180.17 3inn h GLN 12 N 1.28 0.76 -0.96 0.04 4.15 -1.05 -2.38 115.11 116.96 3inn h GLN 12 Ca 0.35 -0.19 0.12 0.00 0.77 0.00 0.00 58.65 59.70 3inn h GLN 12 Cb -0.13 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.38 3inn h GLN 12 CO -0.08 0.76 0.59 0.00 -1.93 0.00 0.00 178.83 178.17 3inn h ALA 13 N 0.97 1.43 -0.00 3.38 0.00 -0.95 -3.06 119.26 121.03 3inn h ALA 13 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3inn h ALA 13 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3inn h ALA 13 CO 0.00 0.18 -0.51 1.28 0.00 0.00 0.00 179.25 180.21 3inn n LEU 14 N -4.66 0.80 -0.20 0.00 4.77 -0.93 -4.55 117.00 112.23 3inn n LEU 14 Ca 0.18 -0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 3inn n LEU 14 Cb 0.34 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3inn n LEU 14 CO 0.27 0.18 0.89 0.00 -1.33 0.00 0.00 177.39 177.40 3inn h ALA 15 N 3.23 0.76 -0.17 -1.18 0.00 -1.32 -0.02 119.26 120.55 3inn h ALA 15 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3inn h ALA 15 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3inn h ALA 15 CO 0.00 0.48 -0.59 -1.00 0.00 0.00 0.00 179.25 178.14 3inn h PRO 16 N 0.84 0.57 -0.72 0.00 0.13 -1.80 -0.79 132.00 130.22 3inn h PRO 16 Ca 0.18 -0.38 0.05 0.00 -0.87 0.00 0.00 66.00 64.98 3inn h PRO 16 Cb 0.38 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.51 3inn h PRO 16 CO 0.01 0.99 0.43 0.00 -0.23 0.00 0.00 178.00 179.20 3inn h ALA 17 N 0.92 0.96 -0.10 -0.56 0.00 -1.77 -0.70 119.26 118.01 3inn h ALA 17 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3inn h ALA 17 Cb 1.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3inn h ALA 17 CO 0.11 0.16 -0.04 -0.09 0.00 0.00 0.00 179.25 179.39 3inn h ARG 18 N 0.81 0.21 -0.96 0.00 2.43 -0.90 -1.64 114.38 114.33 3inn h ARG 18 Ca 0.31 -0.09 0.16 0.00 -0.81 0.00 0.00 59.98 59.55 3inn h ARG 18 Cb 0.11 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 3inn h ARG 18 CO -0.15 0.54 0.61 0.37 -1.51 0.00 0.00 179.97 179.83 3inn h GLN 19 N -0.14 0.75 -0.00 0.20 4.15 -0.99 -1.76 115.11 117.33 3inn h GLN 19 Ca 0.02 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3inn h GLN 19 Cb 0.47 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3inn h GLN 19 CO 0.01 0.50 0.00 1.04 -1.93 0.00 0.00 178.83 178.45 3inn n GLN 20 N -4.63 1.05 -1.08 1.69 6.02 -0.28 -4.88 117.38 115.26 3inn n GLN 20 Ca 0.20 -0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 57.09 3inn n GLN 20 Cb 0.49 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.25 3inn n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3inn n GLY 21 N 1.00 0.60 3.77 1.08 0.00 -0.66 -5.00 105.19 105.98 3inn n GLY 21 Ca 0.23 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3inn n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3inn s LYS 22 N -1.62 4.15 -0.13 1.61 -2.85 -0.65 -4.96 119.74 115.29 3inn s LYS 22 Ca 0.00 2.43 -0.24 0.00 -1.00 0.00 0.00 55.97 57.16 3inn s LYS 22 Cb 0.00 -2.97 -0.03 0.00 -2.06 0.00 0.00 37.83 32.78 3inn s LYS 22 CO 0.00 -0.44 0.74 0.15 0.10 0.00 0.00 175.35 175.90 3inn s LYS 23 N -2.03 4.34 -0.35 1.78 1.02 -1.26 -4.72 119.74 118.51 3inn s LYS 23 Ca 0.52 0.89 -0.12 0.00 0.02 0.00 0.00 55.97 57.28 3inn s LYS 23 Cb -0.44 -3.52 -0.00 0.00 -0.52 0.00 0.00 37.83 33.35 3inn s LYS 23 CO 0.59 -0.15 0.23 0.42 -0.92 0.00 0.00 175.35 175.51 3inn s ILE 24 N 1.54 5.04 -0.12 2.17 1.01 -1.26 -0.61 121.20 128.97 3inn s ILE 24 Ca 0.36 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 3inn s ILE 24 Cb -0.17 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 3inn s ILE 24 CO 0.15 -0.07 0.28 -0.83 0.00 0.00 0.00 174.94 174.47 3inn s GLY 25 N 1.67 2.26 -0.07 6.18 0.00 -0.20 -0.82 107.32 116.34 3inn s GLY 25 Ca 0.05 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.35 3inn s GLY 25 CO 0.09 0.20 -0.15 -0.12 0.00 0.00 0.00 173.10 173.12 3inn s PHE 26 N -0.18 1.65 -0.30 1.90 5.36 -0.04 -0.74 117.98 125.63 3inn s PHE 26 Ca 0.18 -0.61 0.02 0.00 -0.96 0.00 0.00 56.93 55.56 3inn s PHE 26 Cb -0.14 -1.17 0.09 0.00 -0.34 0.00 0.00 43.02 41.46 3inn s PHE 26 CO 0.06 -0.28 0.01 0.08 -1.46 0.00 0.00 175.22 173.62 3inn s VAL 27 N 0.54 1.91 -0.02 3.12 1.01 0.03 -1.33 120.40 125.67 3inn s VAL 27 Ca -0.14 -1.87 -0.26 0.00 0.00 0.00 0.00 61.98 59.70 3inn s VAL 27 Cb -0.16 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3inn s VAL 27 CO 0.04 -0.42 0.82 -2.16 0.00 0.00 0.00 175.10 173.39 3inn s PRO 28 N 1.14 4.50 0.18 2.72 0.04 -1.26 -1.30 135.00 141.01 3inn s PRO 28 Ca 0.04 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.21 3inn s PRO 28 Cb -0.19 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 3inn s PRO 28 CO -0.10 0.07 0.08 0.95 0.04 0.00 0.00 177.00 178.04 3inn s THR 29 N 0.69 0.22 -0.34 1.26 -4.23 0.50 -4.92 115.64 108.82 3inn s THR 29 Ca 0.43 -1.96 0.16 0.00 -1.18 0.00 0.00 61.69 59.13 3inn s THR 29 Cb -0.20 -2.30 0.52 0.00 1.34 0.00 0.00 72.50 71.86 3inn s THR 29 CO 0.23 -0.23 1.42 0.23 -0.54 0.00 0.00 174.62 175.73 3inn n MET 30 N -0.23 3.09 0.00 3.99 2.81 -1.26 -1.21 117.12 124.31 3inn n MET 30 Ca -0.02 -2.74 0.00 0.00 -1.81 0.00 0.00 57.70 53.13 3inn n MET 30 Cb 0.65 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3inn n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3inn n GLY 31 N -0.20 -1.83 3.14 3.03 0.00 -1.26 -4.65 105.19 103.41 3inn n GLY 31 Ca 0.20 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 3inn n GLY 31 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3inn n TYR 32 N 0.00 -2.01 -2.33 1.61 0.18 -1.26 -4.91 117.16 108.45 3inn n TYR 32 Ca 0.00 0.82 -0.41 0.00 1.88 0.00 0.00 57.90 60.20 3inn n TYR 32 Cb 0.00 -4.63 -0.03 0.00 -0.38 0.00 0.00 39.34 34.30 3inn n TYR 32 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3inn s LEU 33 N -5.89 4.49 0.00 -3.48 1.43 -1.26 -4.63 118.68 109.34 3inn s LEU 33 Ca 0.10 2.40 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 3inn s LEU 33 Cb -0.04 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 3inn s LEU 33 CO 0.63 -0.33 0.11 0.00 0.23 0.00 0.00 176.35 176.99 3inn n HIS 34 N 1.39 0.13 -0.25 0.29 1.44 -1.26 -4.99 115.22 111.97 3inn n HIS 34 Ca 0.01 -2.09 0.00 0.00 -2.01 0.00 0.00 57.72 53.63 3inn n HIS 34 Cb 0.44 -0.01 0.07 0.00 0.12 0.00 0.00 29.99 30.60 3inn n HIS 34 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 3inn h LYS 35 N 0.00 -0.03 -0.36 -1.40 -0.00 -1.98 -1.52 116.57 111.27 3inn h LYS 35 Ca -0.26 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.43 3inn h LYS 35 Cb 0.97 0.01 -0.04 0.00 -0.00 0.00 0.00 32.23 33.16 3inn h LYS 35 CO 0.41 -0.02 -0.21 0.41 -0.00 0.00 0.00 179.45 180.03 3inn n GLY 36 N -1.48 -2.12 0.37 0.07 0.00 -1.26 -0.68 105.19 100.09 3inn n GLY 36 Ca 0.09 0.65 0.11 0.00 0.00 0.00 0.00 46.02 46.87 3inn n GLY 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3inn h HIS 37 N 0.00 0.77 -0.36 1.61 -0.00 -1.69 -1.20 115.15 114.29 3inn h HIS 37 Ca 0.06 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.37 3inn h HIS 37 Cb 0.15 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3inn h HIS 37 CO -0.73 0.32 -0.13 -0.07 -0.00 0.00 0.00 177.93 177.33 3inn h LEU 38 N 0.68 0.61 -0.17 2.43 3.38 -0.50 -0.79 115.31 120.97 3inn h LEU 38 Ca 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3inn h LEU 38 Cb 0.61 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3inn h LEU 38 CO -0.17 0.77 0.08 -0.08 0.09 0.00 0.00 178.44 179.13 3inn h GLU 39 N 0.57 0.25 -0.73 1.13 4.57 0.02 0.21 114.58 120.60 3inn h GLU 39 Ca 0.10 -0.04 0.16 0.00 -1.18 0.00 0.00 59.36 58.40 3inn h GLU 39 Cb 0.55 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.99 3inn h GLU 39 CO 0.03 0.30 0.14 -0.07 -1.18 0.00 0.00 179.01 178.24 3inn h LEU 40 N 0.13 -0.06 -0.49 1.64 3.38 -1.02 -0.66 115.31 118.23 3inn h LEU 40 Ca 0.06 0.16 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 3inn h LEU 40 Cb 0.14 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3inn h LEU 40 CO -0.01 -0.07 -0.51 0.58 0.09 0.00 0.00 178.44 178.53 3inn h VAL 41 N 0.23 1.30 0.05 1.22 2.07 -0.77 -2.03 116.25 118.32 3inn h VAL 41 Ca 0.41 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 66.23 3inn h VAL 41 Cb 0.72 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3inn h VAL 41 CO -0.54 0.55 -0.14 -0.09 0.02 0.00 0.00 177.57 177.37 3inn h ARG 42 N 0.52 -0.25 -0.18 1.57 2.43 0.50 -1.79 114.38 117.17 3inn h ARG 42 Ca 0.02 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3inn h ARG 42 Cb 1.06 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.60 3inn h ARG 42 CO 0.10 -0.16 -0.30 0.00 -1.51 0.00 0.00 179.97 178.10 3inn h ARG 43 N -0.26 -0.33 -0.86 0.20 2.47 -1.11 -0.83 114.38 113.67 3inn h ARG 43 Ca 0.03 0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.90 3inn h ARG 43 Cb 0.29 0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 28.60 3inn h ARG 43 CO -0.10 -0.22 0.48 0.00 0.56 0.00 0.00 179.97 180.69 3inn h ALA 44 N 0.56 1.27 -0.31 0.04 0.00 -1.21 -1.44 119.26 118.17 3inn h ALA 44 Ca 0.11 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3inn h ALA 44 Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3inn h ALA 44 CO -0.38 0.02 -0.47 0.00 0.00 0.00 0.00 179.25 178.42 3inn h ARG 45 N 0.73 0.83 -0.92 0.00 3.08 -0.55 -1.89 114.38 115.66 3inn h ARG 45 Ca 0.44 -0.48 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3inn h ARG 45 Cb 0.53 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 3inn h ARG 45 CO -0.31 1.11 0.59 0.28 -1.07 0.00 0.00 179.97 180.57 3inn h VAL 46 N 0.65 1.10 -0.01 2.04 2.07 -0.42 -3.23 116.25 118.46 3inn h VAL 46 Ca 0.03 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3inn h VAL 46 Cb 1.06 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3inn h VAL 46 CO 0.11 0.20 -0.28 -0.62 0.02 0.00 0.00 177.57 177.00 3inn n GLU 47 N -4.54 1.17 -4.02 1.57 1.02 -0.62 -4.95 120.64 110.27 3inn n GLU 47 Ca 0.13 -0.83 -0.09 0.00 -0.02 0.00 0.00 57.16 56.35 3inn n GLU 47 Cb 0.14 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 3inn n GLU 47 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3inn s ASN 48 N -2.39 0.22 -0.04 1.62 -0.87 -0.73 -4.98 114.94 107.77 3inn s ASN 48 Ca 0.24 -0.96 0.01 0.00 -1.57 0.00 0.00 52.86 50.59 3inn s ASN 48 Cb 0.19 0.33 -0.26 0.00 -0.02 0.00 0.00 41.25 41.49 3inn s ASN 48 CO 0.50 -0.76 0.70 0.44 -2.57 0.00 0.00 177.10 175.41 3inn h ASP 49 N 2.79 0.27 -3.32 -1.22 3.32 -1.14 -3.44 116.42 113.68 3inn h ASP 49 Ca -0.34 -0.48 -0.60 0.00 0.02 0.00 0.00 57.03 55.64 3inn h ASP 49 Cb 1.20 -0.09 -0.34 0.00 0.22 0.00 0.00 39.33 40.32 3inn h ASP 49 CO 0.56 1.41 -0.84 -0.69 -1.72 0.00 0.00 179.24 177.96 3inn s VAL 50 N -2.60 1.58 -0.09 -1.35 1.01 -0.67 -4.99 120.40 113.28 3inn s VAL 50 Ca -0.11 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3inn s VAL 50 Cb 0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3inn s VAL 50 CO 0.82 0.45 -0.07 -0.89 0.00 0.00 0.00 175.10 175.42 3inn s THR 51 N 0.72 3.69 -0.07 3.92 2.01 -1.26 -1.03 115.64 123.62 3inn s THR 51 Ca -0.12 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3inn s THR 51 Cb -0.16 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.84 3inn s THR 51 CO 0.03 0.57 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.24 3inn s LEU 52 N -0.46 1.25 -0.07 4.42 0.20 0.09 -1.83 118.68 122.27 3inn s LEU 52 Ca 0.07 -0.20 0.02 0.00 0.69 0.00 0.00 54.13 54.71 3inn s LEU 52 Cb -0.12 -0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 45.00 3inn s LEU 52 CO 0.02 -0.07 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.19 3inn s VAL 53 N 1.20 3.15 -0.08 1.68 1.01 -0.25 -0.79 120.40 126.33 3inn s VAL 53 Ca -0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3inn s VAL 53 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3inn s VAL 53 CO -0.02 0.57 -0.01 -0.94 0.00 0.00 0.00 175.10 174.70 3inn s SER 54 N -0.46 5.11 -0.21 3.32 1.04 -0.42 -0.56 113.70 121.52 3inn s SER 54 Ca 0.06 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.59 3inn s SER 54 Cb -0.12 -1.40 0.02 0.00 0.10 0.00 0.00 66.02 64.62 3inn s SER 54 CO 0.02 0.37 -0.13 -0.63 0.98 0.00 0.00 173.24 173.85 3inn s ILE 55 N -0.88 2.51 -0.29 -1.02 1.01 0.07 -0.37 121.20 122.23 3inn s ILE 55 Ca 0.13 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.73 3inn s ILE 55 Cb -0.11 -2.16 0.12 0.00 0.01 0.00 0.00 42.46 40.32 3inn s ILE 55 CO 0.02 0.40 0.72 0.12 0.00 0.00 0.00 174.94 176.20 3inn s PHE 56 N 1.32 -1.15 -0.81 3.97 5.36 -0.35 -4.19 117.98 122.13 3inn s PHE 56 Ca 0.03 2.09 -0.21 0.00 -0.96 0.00 0.00 56.93 57.89 3inn s PHE 56 Cb -0.15 0.69 0.10 0.00 -0.34 0.00 0.00 43.02 43.32 3inn s PHE 56 CO -0.09 -0.57 1.07 0.08 -1.46 0.00 0.00 175.22 174.25 3inn s VAL 57 N 2.39 4.50 -0.24 3.12 1.01 -1.26 -4.21 120.40 125.70 3inn s VAL 57 Ca -0.07 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 3inn s VAL 57 Cb -0.09 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.53 3inn s VAL 57 CO -0.19 -1.50 1.47 0.21 0.00 0.00 0.00 175.10 175.08 3inn s ASN 58 N 3.74 6.56 0.40 3.32 2.47 -1.26 -4.93 114.94 125.24 3inn s ASN 58 Ca 0.28 1.50 0.17 0.00 0.42 0.00 0.00 52.86 55.23 3inn s ASN 58 Cb -0.10 -2.54 0.85 0.00 -1.45 0.00 0.00 41.25 38.01 3inn s ASN 58 CO -0.00 -1.13 1.86 1.55 -3.72 0.00 0.00 177.10 175.65 3inn h PRO 59 N 9.89 0.00 -0.44 0.43 0.13 -1.94 -2.96 132.00 137.10 3inn h PRO 59 Ca -0.30 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.95 3inn h PRO 59 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3inn h PRO 59 CO 1.01 0.32 0.32 -0.07 -0.23 0.00 0.00 178.00 179.35 3inn h LEU 60 N 0.00 0.01 -0.10 1.56 3.38 -1.91 -0.88 115.31 117.37 3inn h LEU 60 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3inn h LEU 60 Cb 0.64 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.39 3inn h LEU 60 CO 0.04 0.01 -0.45 1.56 0.09 0.00 0.00 178.44 179.69 3inn h GLN 61 N 0.01 0.48 -7.46 1.13 4.20 -1.75 -3.36 115.11 108.37 3inn h GLN 61 Ca 0.21 -0.39 -0.49 0.00 0.06 0.00 0.00 58.65 58.04 3inn h GLN 61 Cb 0.83 0.08 0.08 0.00 0.30 0.00 0.00 27.48 28.77 3inn h GLN 61 CO -0.00 1.02 0.41 -0.06 -0.67 0.00 0.00 178.83 179.52 3inn s PHE 62 N -3.69 3.34 0.61 2.96 2.99 -0.33 -4.91 117.98 118.94 3inn s PHE 62 Ca -0.13 1.05 -0.19 0.00 0.00 0.00 0.00 56.93 57.65 3inn s PHE 62 Cb 0.05 -3.04 -0.03 0.00 0.00 0.00 0.00 43.02 40.01 3inn s PHE 62 CO 0.81 -1.14 1.31 0.20 -0.00 0.00 0.00 175.22 176.41 3inn s GLY 63 N -4.35 2.86 0.56 4.36 0.00 -1.26 -4.89 107.32 104.60 3inn s GLY 63 Ca 0.58 1.25 0.37 0.00 0.00 0.00 0.00 44.72 46.91 3inn s GLY 63 CO 0.52 1.70 2.13 0.00 0.00 0.00 0.00 173.10 177.45 3inn h ALA 64 N 0.90 1.02 -2.06 3.20 0.00 -1.96 -3.49 119.26 116.86 3inn h ALA 64 Ca -0.51 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.70 3inn h ALA 64 Cb 1.32 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.76 3inn h ALA 64 CO 0.55 -0.02 0.06 0.27 0.00 0.00 0.00 179.25 180.11 3inn n ASN 65 N -2.81 5.04 -4.32 0.00 6.94 -1.26 -5.17 115.26 113.68 3inn n ASN 65 Ca -0.02 -3.44 -0.47 0.00 -0.02 0.00 0.00 54.58 50.63 3inn n ASN 65 Cb 0.08 -0.95 -0.03 0.00 -2.36 0.00 0.00 39.78 36.51 3inn n ASN 65 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3inn s ASP 74 N -2.18 6.54 0.25 0.53 2.15 -1.26 -5.12 116.67 117.58 3inn s ASP 74 Ca 0.36 -2.34 0.20 0.00 0.43 0.00 0.00 52.55 51.20 3inn s ASP 74 Cb 0.10 -2.21 0.97 0.00 -0.30 0.00 0.00 42.92 41.49 3inn s ASP 74 CO 0.05 -0.69 1.62 -0.11 -0.17 0.00 0.00 175.17 175.86 3inn n LEU 75 N 4.48 0.53 0.02 -1.34 7.94 -1.26 -3.28 117.00 124.09 3inn n LEU 75 Ca 0.03 0.69 -0.08 0.00 -1.11 0.00 0.00 56.01 55.54 3inn n LEU 75 Cb 0.44 -0.69 -0.06 0.00 0.53 0.00 0.00 43.42 43.64 3inn n LEU 75 CO 0.41 -0.73 0.26 -0.33 -1.11 0.00 0.00 177.39 175.89 3inn h GLU 76 N 0.00 -0.17 -0.89 1.96 3.07 -2.04 -2.40 114.58 114.12 3inn h GLU 76 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3inn h GLU 76 Cb 0.15 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 3inn h GLU 76 CO 0.00 0.20 0.52 0.07 -1.40 0.00 0.00 179.01 178.40 3inn h ARG 77 N -0.97 1.21 0.79 2.33 -0.00 -1.99 -1.11 114.38 114.64 3inn h ARG 77 Ca -0.02 -0.12 -0.04 0.00 -0.00 0.00 0.00 59.98 59.81 3inn h ARG 77 Cb 0.44 -0.25 0.01 0.00 -0.00 0.00 0.00 29.97 30.17 3inn h ARG 77 CO 0.03 0.86 -0.38 -0.44 -0.00 0.00 0.00 179.97 180.04 3inn h ASP 78 N 1.23 -0.90 -0.25 0.08 3.32 -1.69 -2.62 116.42 115.58 3inn h ASP 78 Ca 0.32 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.47 3inn h ASP 78 Cb -0.03 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3inn h ASP 78 CO -0.06 -0.57 0.21 0.00 -1.72 0.00 0.00 179.24 177.10 3inn h ALA 79 N -1.37 2.07 0.39 3.45 0.00 -1.42 -1.96 119.26 120.41 3inn h ALA 79 Ca -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3inn h ALA 79 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3inn h ALA 79 CO 0.18 -0.34 -0.21 0.78 0.00 0.00 0.00 179.25 179.65 3inn h GLY 80 N 0.00 -0.68 -0.19 0.00 0.00 -1.09 -1.21 103.07 99.90 3inn h GLY 80 Ca 0.12 0.27 0.28 0.00 0.00 0.00 0.00 47.33 47.99 3inn h GLY 80 CO -0.00 -0.24 0.68 1.41 0.00 0.00 0.00 176.54 178.39 3inn h LEU 81 N -0.55 0.42 -0.65 3.11 3.38 -1.06 -0.01 115.31 119.96 3inn h LEU 81 Ca -0.05 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3inn h LEU 81 Cb 0.43 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3inn h LEU 81 CO 0.07 0.07 -0.66 -0.07 0.09 0.00 0.00 178.44 177.94 3inn h LEU 82 N 0.37 0.10 -0.27 1.67 3.38 -1.23 -0.56 115.31 118.76 3inn h LEU 82 Ca 0.60 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.41 3inn h LEU 82 Cb 1.58 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 3inn h LEU 82 CO -0.30 0.73 -0.24 -0.74 0.09 0.00 0.00 178.44 177.98 3inn h HIS 83 N 0.06 0.77 -0.30 1.13 2.76 0.24 -2.32 115.15 117.49 3inn h HIS 83 Ca -0.01 -0.22 0.02 0.00 -2.20 0.00 0.00 60.37 57.96 3inn h HIS 83 Cb 1.17 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.94 3inn h HIS 83 CO 0.01 0.94 0.14 -0.44 -1.30 0.00 0.00 177.93 177.28 3inn h ASP 84 N 0.38 0.20 0.00 3.26 3.32 -1.22 -2.42 116.42 119.93 3inn h ASP 84 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3inn h ASP 84 Cb 0.80 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3inn h ASP 84 CO 0.06 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 3inn n ALA 85 N -2.26 2.00 -1.67 3.45 0.00 -0.23 -4.87 120.51 116.94 3inn n ALA 85 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 3inn n ALA 85 Cb 0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 3inn n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3inn n GLN 86 N -1.00 -0.98 -1.61 0.00 1.13 -0.91 -4.93 117.38 109.07 3inn n GLN 86 Ca 0.10 0.87 -0.43 0.00 -1.94 0.00 0.00 57.00 55.60 3inn n GLN 86 Cb 0.05 -5.00 -0.00 0.00 0.11 0.00 0.00 30.24 25.39 3inn n GLN 86 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3inn n VAL 87 N -3.06 2.12 0.07 5.09 0.31 -0.90 -4.93 118.33 117.03 3inn n VAL 87 Ca -0.14 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.47 3inn n VAL 87 Cb 0.50 -1.14 -0.15 0.00 -0.91 0.00 0.00 33.84 32.14 3inn n VAL 87 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3inn h ASP 88 N 1.93 0.56 -3.81 4.52 3.32 -1.71 -3.36 116.42 117.87 3inn h ASP 88 Ca -0.42 -0.92 -0.38 0.00 0.02 0.00 0.00 57.03 55.33 3inn h ASP 88 Cb 1.33 -0.18 -0.30 0.00 0.22 0.00 0.00 39.33 40.40 3inn h ASP 88 CO 0.60 1.56 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.60 3inn s TYR 89 N -2.49 0.70 -0.15 4.55 2.02 -0.76 -1.76 117.35 119.45 3inn s TYR 89 Ca -0.14 -0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 3inn s TYR 89 Cb 0.03 -0.51 -0.02 0.00 -0.40 0.00 0.00 41.96 41.06 3inn s TYR 89 CO 0.85 -0.07 -0.08 -1.17 -1.57 0.00 0.00 175.55 173.51 3inn s LEU 90 N 0.17 3.00 -0.32 -1.29 2.96 0.43 -1.09 118.68 122.55 3inn s LEU 90 Ca -0.02 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3inn s LEU 90 Cb -0.07 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.96 3inn s LEU 90 CO -0.00 0.15 0.05 0.12 -1.32 0.00 0.00 176.35 175.35 3inn s PHE 91 N 0.45 3.25 -0.50 5.38 5.36 0.28 -0.07 117.98 132.13 3inn s PHE 91 Ca -0.06 -1.64 0.08 0.00 -0.96 0.00 0.00 56.93 54.34 3inn s PHE 91 Cb -0.15 -2.19 0.29 0.00 -0.34 0.00 0.00 43.02 40.64 3inn s PHE 91 CO 0.04 -0.76 0.73 0.00 -1.46 0.00 0.00 175.22 173.76 3inn n ALA 92 N 4.71 3.32 -1.73 11.12 0.00 0.75 -0.75 120.51 137.94 3inn n ALA 92 Ca -0.13 -4.09 -0.35 0.00 0.00 0.00 0.00 53.44 48.87 3inn n ALA 92 Cb 0.44 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.06 3inn n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3inn s PRO 93 N -2.36 3.26 0.64 0.00 0.04 -1.25 -4.58 135.00 130.76 3inn s PRO 93 Ca 0.41 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.94 3inn s PRO 93 Cb 0.23 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.79 3inn s PRO 93 CO -0.08 -0.92 0.98 0.95 0.04 0.00 0.00 177.00 177.97 3inn s THR 94 N -1.87 3.44 0.45 1.26 -4.23 -1.26 -4.86 115.64 108.56 3inn s THR 94 Ca 0.72 0.13 0.17 0.00 -1.18 0.00 0.00 61.69 61.53 3inn s THR 94 Cb -0.23 -3.41 0.36 0.00 1.34 0.00 0.00 72.50 70.56 3inn s THR 94 CO 0.29 -0.46 1.94 0.58 -0.54 0.00 0.00 174.62 176.43 3inn h VAL 95 N -0.39 0.79 -0.01 2.29 2.07 -1.95 0.80 116.25 119.85 3inn h VAL 95 Ca -0.45 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 3inn h VAL 95 Cb 1.26 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3inn h VAL 95 CO 0.62 0.06 -0.66 0.28 0.02 0.00 0.00 177.57 177.89 3inn h SER 96 N 0.34 0.05 -0.50 0.57 0.02 -1.93 0.31 113.55 112.40 3inn h SER 96 Ca 0.34 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.17 3inn h SER 96 Cb 0.86 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 3inn h SER 96 CO -0.09 0.69 -0.03 0.44 -1.14 0.00 0.00 176.83 176.70 3inn h ASP 97 N 0.03 0.93 0.11 3.07 3.32 -1.17 -2.96 116.42 119.75 3inn h ASP 97 Ca -0.01 -0.26 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 3inn h ASP 97 Cb 1.17 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.48 3inn h ASP 97 CO 0.09 1.01 -0.69 0.24 -1.72 0.00 0.00 179.24 178.17 3inn h MET 98 N 0.87 0.23 -2.94 3.56 2.86 -1.40 -3.43 114.93 114.68 3inn h MET 98 Ca 0.15 -0.39 -0.61 0.00 -2.06 0.00 0.00 59.70 56.79 3inn h MET 98 Cb 0.55 0.15 -0.41 0.00 0.06 0.00 0.00 31.60 31.95 3inn h MET 98 CO 0.03 1.19 -0.66 0.71 1.06 0.00 0.00 176.91 179.24 3inn s TYR 99 N -2.39 3.06 0.26 -0.22 2.02 0.09 -4.95 117.35 115.21 3inn s TYR 99 Ca -0.15 -3.13 -0.03 0.00 -0.37 0.00 0.00 57.07 53.39 3inn s TYR 99 Cb 0.00 -2.34 0.44 0.00 -0.40 0.00 0.00 41.96 39.66 3inn s TYR 99 CO 0.79 -0.61 1.83 -1.35 -1.57 0.00 0.00 175.55 174.65 3inn h PRO 100 N 5.47 0.88 -5.58 -1.71 0.11 -1.75 -3.40 132.00 126.01 3inn h PRO 100 Ca 0.17 -0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.62 3inn h PRO 100 Cb 0.79 -0.20 -0.13 0.00 0.11 0.00 0.00 31.00 31.57 3inn h PRO 100 CO 0.65 0.58 -0.60 -0.98 -0.21 0.00 0.00 178.00 177.44 3inn s ARG 101 N -6.01 1.92 0.55 1.05 1.70 -1.26 -5.04 118.95 111.87 3inn s ARG 101 Ca -0.12 -2.09 -0.19 0.00 -0.47 0.00 0.00 55.73 52.86 3inn s ARG 101 Cb 0.20 -1.52 -0.05 0.00 -0.57 0.00 0.00 34.95 33.01 3inn s ARG 101 CO 0.79 -0.08 1.12 -2.14 -1.08 0.00 0.00 175.30 173.91 3inn s PRO 102 N -3.74 3.32 0.07 3.89 0.02 -1.26 -4.97 135.00 132.32 3inn s PRO 102 Ca 0.34 1.56 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 3inn s PRO 102 Cb 0.10 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3inn s PRO 102 CO 0.17 -0.87 1.04 -1.64 -0.33 0.00 0.00 177.00 175.37 3inn s MET 103 N -3.39 4.57 -0.07 5.54 -1.94 -1.26 -4.92 119.30 117.83 3inn s MET 103 Ca 0.72 1.55 0.17 0.00 -1.71 0.00 0.00 55.69 56.42 3inn s MET 103 Cb -0.23 -3.39 -0.26 0.00 2.01 0.00 0.00 34.83 32.96 3inn s MET 103 CO 0.28 -0.01 0.29 1.04 -0.01 0.00 0.00 175.02 176.62 3inn n GLN 104 N 3.40 0.77 -2.79 2.03 6.02 -1.26 -5.00 117.38 120.54 3inn n GLN 104 Ca 0.05 -0.12 -0.40 0.00 -0.01 0.00 0.00 57.00 56.52 3inn n GLN 104 Cb 0.49 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.25 3inn n GLN 104 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3inn s THR 105 N -3.00 4.25 -0.03 5.09 2.01 -1.26 -5.07 115.64 117.63 3inn s THR 105 Ca -0.07 2.01 0.03 0.00 0.31 0.00 0.00 61.69 63.97 3inn s THR 105 Cb 0.10 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 3inn s THR 105 CO 0.74 0.45 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.31 3inn s VAL 106 N -0.82 1.05 -0.10 3.82 1.01 -1.26 -5.06 120.40 119.04 3inn s VAL 106 Ca 0.42 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3inn s VAL 106 Cb -0.25 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3inn s VAL 106 CO 0.30 0.31 -0.12 -0.69 0.00 0.00 0.00 175.10 174.91 3inn s VAL 107 N 0.10 3.19 0.07 2.92 1.01 -1.26 -5.05 120.40 121.38 3inn s VAL 107 Ca -0.03 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3inn s VAL 107 Cb -0.09 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 3inn s VAL 107 CO 0.01 0.55 0.17 -0.62 0.00 0.00 0.00 175.10 175.21 3inn s ASP 108 N -0.11 0.14 -0.63 3.32 -1.08 -1.26 -3.85 116.67 113.19 3inn s ASP 108 Ca -0.01 -0.62 0.05 0.00 -0.52 0.00 0.00 52.55 51.44 3inn s ASP 108 Cb -0.14 0.31 0.18 0.00 -1.46 0.00 0.00 42.92 41.81 3inn s ASP 108 CO 0.03 -0.68 0.48 0.52 0.52 0.00 0.00 175.17 176.05 3inn n VAL 109 N 0.13 1.02 -0.31 1.11 0.31 -1.26 -5.02 118.33 114.31 3inn n VAL 109 Ca -0.16 -4.56 -0.01 0.00 -0.01 0.00 0.00 64.34 59.59 3inn n VAL 109 Cb 0.61 -2.06 0.11 0.00 -0.91 0.00 0.00 33.84 31.59 3inn n VAL 109 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3inn h PRO 110 N 5.33 1.03 -0.32 5.55 0.11 -1.98 0.19 132.00 141.91 3inn h PRO 110 Ca 0.18 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3inn h PRO 110 Cb 0.78 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 3inn h PRO 110 CO 0.65 0.68 0.19 -1.35 -0.21 0.00 0.00 178.00 177.96 3inn h PRO 111 N 1.06 0.43 0.06 1.05 0.11 -1.95 0.11 132.00 132.87 3inn h PRO 111 Ca 0.34 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 66.13 3inn h PRO 111 Cb 0.02 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 3inn h PRO 111 CO -0.12 0.30 -1.58 -0.07 -0.21 0.00 0.00 178.00 176.33 3inn h LEU 112 N 0.44 0.20 -0.77 2.35 3.38 -1.80 -3.35 115.31 115.76 3inn h LEU 112 Ca 0.12 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3inn h LEU 112 Cb -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3inn h LEU 112 CO -0.02 1.28 -0.04 1.23 0.09 0.00 0.00 178.44 180.98 3inn h GLY 113 N 2.43 0.00 -4.42 0.83 0.00 -0.55 -3.21 103.07 98.15 3inn h GLY 113 Ca -0.25 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.37 3inn h GLY 113 CO 0.12 0.00 0.96 0.70 0.00 0.00 0.00 176.54 178.32 3inn n ASN 114 N -3.13 7.64 -4.20 0.19 3.02 -0.01 -3.76 115.26 115.01 3inn n ASN 114 Ca 0.02 -3.81 -0.12 0.00 -0.03 0.00 0.00 54.58 50.64 3inn n ASN 114 Cb 0.43 -1.02 -0.10 0.00 -0.61 0.00 0.00 39.78 38.48 3inn n ASN 114 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3inn s GLN 115 N -3.93 0.95 2.27 3.52 -1.52 -1.21 -4.43 119.66 115.30 3inn s GLN 115 Ca 0.60 -1.41 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 3inn s GLN 115 Cb 0.48 -0.29 0.00 0.00 -0.22 0.00 0.00 33.01 32.98 3inn s GLN 115 CO -0.18 -0.03 0.00 -0.89 -0.25 0.00 0.00 175.29 173.93 3inn n ILE 116 N -0.12 0.00 0.21 1.08 5.41 -1.26 -0.54 119.36 124.14 3inn n ILE 116 Ca -0.10 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.73 3inn n ILE 116 Cb 0.61 0.00 0.43 0.00 -0.71 0.00 0.00 39.64 39.98 3inn n ILE 116 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3inn h GLU 117 N 0.00 0.00 -0.41 0.38 5.08 -1.96 -2.99 114.58 114.68 3inn h GLU 117 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3inn h GLU 117 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3inn h GLU 117 CO 0.00 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 178.71 3inn n GLY 118 N 0.06 0.98 3.01 -3.84 0.00 0.30 -4.89 105.19 100.81 3inn n GLY 118 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3inn n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3inn n GLU 119 N 0.75 0.00 -3.21 1.61 1.02 -1.14 -4.31 120.64 115.37 3inn n GLU 119 Ca 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.28 3inn n GLU 119 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.78 3inn n GLU 119 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3inn s PRO 122 N 0.00 0.66 0.00 3.49 0.04 -1.26 -4.42 135.00 133.50 3inn s PRO 122 Ca 0.00 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.08 3inn s PRO 122 Cb 0.00 0.04 0.00 0.00 0.04 0.00 0.00 34.50 34.58 3inn s PRO 122 CO 0.00 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.33 3inn n GLY 123 N 4.89 0.68 0.36 0.56 0.00 -1.26 -4.99 105.19 105.43 3inn n GLY 123 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 3inn n GLY 123 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3inn h HIS 124 N 0.00 1.15 -0.52 1.61 2.76 -1.89 -1.39 115.15 116.87 3inn h HIS 124 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3inn h HIS 124 Cb 0.00 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.60 3inn h HIS 124 CO 0.00 0.46 0.00 1.19 -1.30 0.00 0.00 177.93 178.28 3inn n PHE 125 N -4.61 0.91 -0.33 5.26 3.01 -1.26 -4.46 117.46 115.98 3inn n PHE 125 Ca 0.19 -0.57 -0.03 0.00 1.01 0.00 0.00 57.45 58.05 3inn n PHE 125 Cb 0.35 -0.11 0.10 0.00 -0.01 0.00 0.00 39.48 39.81 3inn n PHE 125 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3inn h ALA 126 N 3.12 1.15 -0.25 4.37 0.00 -1.48 -2.13 119.26 124.04 3inn h ALA 126 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3inn h ALA 126 Cb 1.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3inn h ALA 126 CO 0.08 0.50 0.10 0.78 0.00 0.00 0.00 179.25 180.72 3inn h GLY 127 N 1.18 0.32 0.89 0.00 0.00 -1.75 -1.40 103.07 102.31 3inn h GLY 127 Ca 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3inn h GLY 127 CO -0.09 0.05 0.06 -2.08 0.00 0.00 0.00 176.54 174.49 3inn h VAL 128 N 0.23 1.22 -0.86 4.60 2.07 -1.80 -2.10 116.25 119.61 3inn h VAL 128 Ca 0.11 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3inn h VAL 128 Cb 0.06 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3inn h VAL 128 CO -0.10 0.24 0.56 0.00 0.02 0.00 0.00 177.57 178.30 3inn h ALA 129 N 0.89 1.11 -0.03 1.67 0.00 -1.24 0.40 119.26 122.05 3inn h ALA 129 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3inn h ALA 129 Cb 0.30 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3inn h ALA 129 CO 0.00 0.46 -0.00 1.15 0.00 0.00 0.00 179.25 180.86 3inn h THR 130 N 1.13 1.26 -0.57 0.00 2.02 -1.19 -0.45 112.91 115.11 3inn h THR 130 Ca 0.33 -0.78 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 3inn h THR 130 Cb -0.08 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3inn h THR 130 CO -0.09 0.21 -0.07 1.62 0.37 0.00 0.00 175.52 177.56 3inn h VAL 131 N -0.25 1.27 -0.57 3.16 3.04 -1.07 -1.46 116.25 120.37 3inn h VAL 131 Ca 0.01 -1.23 -0.05 0.00 -1.01 0.00 0.00 66.70 64.43 3inn h VAL 131 Cb 0.34 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 3inn h VAL 131 CO 0.00 0.44 0.17 0.58 -1.01 0.00 0.00 177.57 177.75 3inn h VAL 132 N 0.94 1.24 -0.67 1.51 2.07 -0.87 0.29 116.25 120.76 3inn h VAL 132 Ca 0.15 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3inn h VAL 132 Cb 0.63 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3inn h VAL 132 CO 0.04 0.31 0.40 0.28 0.02 0.00 0.00 177.57 178.62 3inn h SER 133 N 0.80 0.63 -0.05 0.57 0.02 -0.91 -0.51 113.55 114.10 3inn h SER 133 Ca 0.18 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3inn h SER 133 Cb 0.29 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3inn h SER 133 CO -0.00 0.42 0.01 0.50 -1.14 0.00 0.00 176.83 176.62 3inn h LYS 134 N 0.76 0.07 -0.69 3.45 3.64 -0.79 -2.09 116.57 120.93 3inn h LYS 134 Ca 0.28 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.75 3inn h LYS 134 Cb 0.09 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 3inn h LYS 134 CO -0.14 0.30 0.31 -0.07 -2.27 0.00 0.00 179.45 177.57 3inn h LEU 135 N -0.16 0.36 -1.00 5.20 3.38 -0.16 -0.38 115.31 122.55 3inn h LEU 135 Ca 0.01 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3inn h LEU 135 Cb 0.26 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3inn h LEU 135 CO 0.00 0.19 0.31 -0.26 0.09 0.00 0.00 178.44 178.77 3inn h PHE 136 N 0.51 1.03 -0.75 1.13 0.04 -0.98 0.62 116.94 118.55 3inn h PHE 136 Ca 0.35 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 61.02 3inn h PHE 136 Cb 0.43 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 3inn h PHE 136 CO -0.14 0.77 0.29 -0.91 -0.60 0.00 0.00 178.31 177.72 3inn h ASN 137 N 1.01 1.02 0.19 2.17 2.35 -0.60 0.20 115.58 121.92 3inn h ASN 137 Ca 0.24 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3inn h ASN 137 Cb 0.15 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3inn h ASN 137 CO -0.03 0.91 -0.09 0.40 -1.65 0.00 0.00 177.43 176.97 3inn h ILE 138 N 1.08 0.89 0.10 2.81 2.04 -0.16 -3.36 117.51 120.92 3inn h ILE 138 Ca 0.25 -0.88 -0.27 0.00 1.00 0.00 0.00 64.86 64.96 3inn h ILE 138 Cb 0.21 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3inn h ILE 138 CO -0.02 0.19 -1.28 0.58 0.00 0.00 0.00 178.15 177.62 3inn h VAL 139 N -0.72 1.45 -5.74 1.67 2.07 -0.96 -3.44 116.25 110.58 3inn h VAL 139 Ca -0.03 -3.06 -0.33 0.00 0.82 0.00 0.00 66.70 64.10 3inn h VAL 139 Cb 0.50 2.88 0.15 0.00 -1.52 0.00 0.00 31.29 33.29 3inn h VAL 139 CO 0.04 0.88 -0.83 0.61 0.02 0.00 0.00 177.57 178.29 3inn n GLY 140 N 1.53 -0.68 3.89 2.17 0.00 0.70 -4.95 105.19 107.85 3inn n GLY 140 Ca -0.09 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3inn n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3inn s PRO 141 N -5.24 3.35 0.02 1.61 0.04 -1.26 -4.94 135.00 128.57 3inn s PRO 141 Ca 0.20 0.41 -0.06 0.00 0.04 0.00 0.00 61.00 61.59 3inn s PRO 141 Cb -0.04 -2.19 -0.29 0.00 0.04 0.00 0.00 34.50 32.02 3inn s PRO 141 CO 0.77 -0.56 0.92 -0.44 0.04 0.00 0.00 177.00 177.72 3inn h ASP 142 N -0.19 0.49 -5.00 6.66 3.32 -1.27 -3.42 116.42 117.02 3inn h ASP 142 Ca -0.45 -0.62 -0.16 0.00 0.02 0.00 0.00 57.03 55.82 3inn h ASP 142 Cb 1.22 -0.16 -0.20 0.00 0.22 0.00 0.00 39.33 40.40 3inn h ASP 142 CO 0.62 1.51 -0.61 0.00 -1.72 0.00 0.00 179.24 179.04 3inn s ALA 143 N -2.62 -0.04 -0.02 3.45 0.00 -0.94 -1.27 121.76 120.33 3inn s ALA 143 Ca -0.09 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3inn s ALA 143 Cb 0.06 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 3inn s ALA 143 CO 0.87 -0.20 -0.11 0.00 0.00 0.00 0.00 175.76 176.33 3inn s ALA 144 N -1.60 0.95 -0.14 0.00 0.00 0.67 -0.86 121.76 120.78 3inn s ALA 144 Ca -0.14 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 3inn s ALA 144 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3inn s ALA 144 CO -0.01 0.20 -0.13 0.71 0.00 0.00 0.00 175.76 176.54 3inn s TYR 145 N -0.09 2.81 0.08 0.00 1.51 -0.44 -0.39 117.35 120.83 3inn s TYR 145 Ca 0.01 -0.78 0.03 0.00 -1.01 0.00 0.00 57.07 55.32 3inn s TYR 145 Cb -0.06 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 3inn s TYR 145 CO 0.00 -0.31 -0.09 -0.06 -1.11 0.00 0.00 175.55 173.98 3inn s PHE 146 N 0.56 0.91 0.17 2.71 0.08 -0.62 -4.35 117.98 117.44 3inn s PHE 146 Ca -0.08 -0.66 -0.19 0.00 0.12 0.00 0.00 56.93 56.12 3inn s PHE 146 Cb -0.16 -0.52 -0.08 0.00 -0.57 0.00 0.00 43.02 41.70 3inn s PHE 146 CO 0.04 -0.06 0.66 0.20 -0.10 0.00 0.00 175.22 175.96 3inn s GLY 147 N -2.28 2.63 0.15 4.36 0.00 -1.26 -0.40 107.32 110.51 3inn s GLY 147 Ca 0.02 0.10 0.25 0.00 0.00 0.00 0.00 44.72 45.09 3inn s GLY 147 CO -0.01 0.47 1.76 1.18 0.00 0.00 0.00 173.10 176.51 3inn n GLU 148 N 1.03 0.15 -0.22 2.90 1.02 -0.28 -3.30 120.64 121.95 3inn n GLU 148 Ca -0.05 0.21 -0.05 0.00 -0.02 0.00 0.00 57.16 57.25 3inn n GLU 148 Cb 0.51 -1.71 0.01 0.00 -0.02 0.00 0.00 31.44 30.22 3inn n GLU 148 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3inn h LYS 149 N 0.00 -0.15 -4.66 3.49 1.63 -1.93 -3.02 116.57 111.94 3inn h LYS 149 Ca 0.00 0.01 -0.74 0.00 -0.85 0.00 0.00 60.65 59.07 3inn h LYS 149 Cb 0.54 0.03 -0.18 0.00 -0.60 0.00 0.00 32.23 32.02 3inn h LYS 149 CO 0.00 -0.10 1.34 -0.25 -3.45 0.00 0.00 179.45 176.99 3inn n ASP 150 N -5.43 5.24 0.25 4.20 8.00 -1.21 -4.73 116.55 122.87 3inn n ASP 150 Ca 0.04 -2.99 -0.15 0.00 0.71 0.00 0.00 54.79 52.41 3inn n ASP 150 Cb 0.36 -1.56 -0.08 0.00 -0.02 0.00 0.00 41.12 39.82 3inn n ASP 150 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3inn h PHE 151 N 7.06 -0.57 -0.64 1.24 3.57 -1.78 -2.67 116.94 123.14 3inn h PHE 151 Ca 0.31 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.92 3inn h PHE 151 Cb 0.86 0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 3inn h PHE 151 CO 1.09 -0.28 0.18 0.37 -2.23 0.00 0.00 178.31 177.44 3inn h GLN 152 N -0.79 0.30 -0.49 1.11 4.15 -1.90 0.61 115.11 118.10 3inn h GLN 152 Ca -0.06 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.41 3inn h GLN 152 Cb 0.55 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.11 3inn h GLN 152 CO 0.10 0.20 0.15 0.37 -1.93 0.00 0.00 178.83 177.73 3inn h GLN 153 N 0.31 0.30 -0.38 1.69 4.15 -1.96 -1.44 115.11 117.79 3inn h GLN 153 Ca 0.34 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.69 3inn h GLN 153 Cb 0.51 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3inn h GLN 153 CO -0.40 0.20 0.04 1.25 -1.93 0.00 0.00 178.83 177.99 3inn h LEU 154 N 0.31 0.62 -1.12 -2.39 5.85 -0.61 0.61 115.31 118.58 3inn h LEU 154 Ca 0.24 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3inn h LEU 154 Cb 0.27 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3inn h LEU 154 CO -0.26 0.74 0.16 0.58 -0.34 0.00 0.00 178.44 179.32 3inn h VAL 155 N 0.47 1.21 -0.16 1.05 2.07 -0.79 0.02 116.25 120.13 3inn h VAL 155 Ca 0.11 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3inn h VAL 155 Cb 0.40 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3inn h VAL 155 CO 0.01 0.27 -0.15 0.40 0.02 0.00 0.00 177.57 178.13 3inn h ILE 156 N 0.77 1.34 -0.74 4.57 2.04 -0.96 -2.12 117.51 122.41 3inn h ILE 156 Ca 0.18 -1.30 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 3inn h ILE 156 Cb 0.23 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3inn h ILE 156 CO -0.01 0.39 0.24 0.40 0.00 0.00 0.00 178.15 179.17 3inn h ILE 157 N 0.03 1.26 -0.66 -0.67 2.04 -0.61 -0.62 117.51 118.28 3inn h ILE 157 Ca 0.03 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3inn h ILE 157 Cb 0.68 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3inn h ILE 157 CO 0.04 0.35 0.42 0.03 0.00 0.00 0.00 178.15 178.99 3inn h ARG 158 N 1.09 0.81 -0.64 2.37 3.08 -0.96 -1.78 114.38 118.35 3inn h ARG 158 Ca 0.24 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 3inn h ARG 158 Cb 0.29 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3inn h ARG 158 CO -0.01 0.53 0.08 -0.09 -1.07 0.00 0.00 179.97 179.41 3inn h ARG 159 N 0.83 1.08 -0.52 0.04 9.65 -0.94 -1.98 114.38 122.53 3inn h ARG 159 Ca 0.26 -0.31 -0.05 0.00 -1.10 0.00 0.00 59.98 58.78 3inn h ARG 159 Cb -0.02 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 3inn h ARG 159 CO -0.09 1.01 0.14 1.98 2.80 0.00 0.00 179.97 185.81 3inn h MET 160 N 0.99 0.83 -0.29 0.20 4.05 -0.83 0.27 114.93 120.15 3inn h MET 160 Ca 0.19 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 3inn h MET 160 Cb 0.48 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3inn h MET 160 CO 0.02 0.79 -0.01 0.28 0.23 0.00 0.00 176.91 178.21 3inn h VAL 161 N 0.73 1.26 0.63 -5.77 2.07 -1.22 -0.03 116.25 113.92 3inn h VAL 161 Ca 0.17 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3inn h VAL 161 Cb 0.32 1.32 0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3inn h VAL 161 CO 0.00 0.31 -0.31 -0.78 0.02 0.00 0.00 177.57 176.81 3inn h ASP 162 N 0.31 -0.73 -0.93 0.57 1.82 -1.15 -1.20 116.42 115.11 3inn h ASP 162 Ca 0.08 0.03 0.07 0.00 -0.39 0.00 0.00 57.03 56.82 3inn h ASP 162 Cb 0.46 0.19 -0.06 0.00 0.68 0.00 0.00 39.33 40.59 3inn h ASP 162 CO 0.02 -0.52 0.60 0.44 -1.61 0.00 0.00 179.24 178.17 3inn h ASP 163 N -0.86 0.93 -0.18 2.28 3.32 -0.86 -2.26 116.42 118.79 3inn h ASP 163 Ca -0.09 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3inn h ASP 163 Cb 0.66 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3inn h ASP 163 CO 0.14 0.59 0.00 0.23 -1.72 0.00 0.00 179.24 178.48 3inn n MET 164 N -4.50 2.08 -3.42 3.56 2.81 -0.03 -4.93 117.12 112.68 3inn n MET 164 Ca 0.14 -1.60 -0.25 0.00 -1.81 0.00 0.00 57.70 54.18 3inn n MET 164 Cb 0.21 -1.46 0.03 0.00 -0.71 0.00 0.00 33.22 31.30 3inn n MET 164 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3inn n ALA 165 N 0.86 -1.13 -2.24 3.04 0.00 -0.61 -4.92 120.51 115.51 3inn n ALA 165 Ca 0.17 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 3inn n ALA 165 Cb 0.47 -4.10 -0.03 0.00 0.00 0.00 0.00 19.45 15.80 3inn n ALA 165 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3inn s ILE 166 N -3.18 3.87 -1.44 0.00 1.01 -0.55 -4.89 121.20 116.02 3inn s ILE 166 Ca 0.47 1.15 -0.12 0.00 0.00 0.00 0.00 60.65 62.16 3inn s ILE 166 Cb -0.22 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3inn s ILE 166 CO 0.58 -0.05 2.57 -0.81 0.00 0.00 0.00 174.94 177.22 3inn n PRO 167 N 6.12 3.10 -3.83 2.79 -0.04 -1.26 -4.82 135.00 137.07 3inn n PRO 167 Ca 0.14 -2.22 -0.14 0.00 -0.04 0.00 0.00 63.50 61.25 3inn n PRO 167 Cb 0.44 -2.92 -0.15 0.00 -0.04 0.00 0.00 33.50 30.83 3inn n PRO 167 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3inn s VAL 168 N 2.83 -0.02 -0.07 0.52 1.01 -1.26 -4.74 120.40 118.66 3inn s VAL 168 Ca 0.58 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 3inn s VAL 168 Cb 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.45 3inn s VAL 168 CO -0.05 0.05 0.85 -0.60 0.00 0.00 0.00 175.10 175.35 3inn s ARG 169 N 0.55 4.45 -0.27 2.72 3.52 -0.39 -4.96 118.95 124.56 3inn s ARG 169 Ca -0.05 1.14 -0.12 0.00 -0.13 0.00 0.00 55.73 56.57 3inn s ARG 169 Cb -0.07 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 3inn s ARG 169 CO -0.01 -0.10 0.26 0.42 -0.81 0.00 0.00 175.30 175.05 3inn s ILE 170 N 1.29 5.26 -0.19 4.11 -1.09 -1.26 -0.24 121.20 129.09 3inn s ILE 170 Ca 0.44 0.32 -0.01 0.00 -2.23 0.00 0.00 60.65 59.17 3inn s ILE 170 Cb -0.19 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3inn s ILE 170 CO 0.20 0.22 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.30 3inn s VAL 171 N 1.83 2.59 -0.20 2.92 1.01 0.48 -4.96 120.40 124.07 3inn s VAL 171 Ca 0.10 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 3inn s VAL 171 Cb -0.16 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3inn s VAL 171 CO 0.10 0.50 0.54 -0.83 0.00 0.00 0.00 175.10 175.42 3inn s GLY 172 N 1.26 2.08 -0.11 4.51 0.00 -1.26 -1.59 107.32 112.21 3inn s GLY 172 Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.36 3inn s GLY 172 CO -0.07 1.13 -0.00 0.14 0.00 0.00 0.00 173.10 174.29 3inn s VAL 173 N 1.67 4.26 0.32 1.40 1.01 0.47 -4.88 120.40 124.65 3inn s VAL 173 Ca 0.25 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3inn s VAL 173 Cb -0.16 -2.82 -0.12 0.00 0.00 0.00 0.00 36.38 33.28 3inn s VAL 173 CO 0.10 0.56 1.46 1.21 0.00 0.00 0.00 175.10 178.43 3inn n GLU 174 N 2.64 2.46 -1.67 2.72 2.13 -1.26 -1.12 120.64 126.53 3inn n GLU 174 Ca -0.18 0.87 -0.47 0.00 0.66 0.00 0.00 57.16 58.03 3inn n GLU 174 Cb 0.53 -2.57 -0.05 0.00 0.27 0.00 0.00 31.44 29.63 3inn n GLU 174 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3inn n THR 175 N 1.18 0.33 -2.54 6.31 -1.04 -1.26 -4.83 114.28 112.43 3inn n THR 175 Ca 0.06 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3inn n THR 175 Cb 0.36 -1.72 -0.04 0.00 -1.82 0.00 0.00 70.33 67.11 3inn n THR 175 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3inn s VAL 176 N 2.70 3.79 0.15 12.58 1.01 -1.26 -4.98 120.40 134.39 3inn s VAL 176 Ca 0.87 1.65 0.06 0.00 0.00 0.00 0.00 61.98 64.56 3inn s VAL 176 Cb -0.69 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 3inn s VAL 176 CO 0.46 0.33 -0.13 -0.13 0.00 0.00 0.00 175.10 175.63 3inn s ARG 177 N -0.81 1.12 0.67 2.72 0.52 -1.26 -1.54 118.95 120.38 3inn s ARG 177 Ca 0.47 -1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 54.24 3inn s ARG 177 Cb -0.30 -0.86 0.08 0.00 0.52 0.00 0.00 34.95 34.39 3inn s ARG 177 CO 0.36 0.14 0.94 -2.00 0.02 0.00 0.00 175.30 174.76 3inn s GLU 178 N -3.34 2.06 0.26 3.54 2.56 -0.20 -4.88 118.70 118.70 3inn s GLU 178 Ca 0.16 -0.75 0.06 0.00 0.00 0.00 0.00 54.97 54.44 3inn s GLU 178 Cb -0.01 -2.32 0.74 0.00 2.00 0.00 0.00 34.13 34.54 3inn s GLU 178 CO 0.03 -1.18 1.24 -0.40 -0.56 0.00 0.00 175.26 174.39 3inn n ASP 179 N -2.73 0.01 -1.33 -1.70 5.68 -1.26 -0.97 116.55 114.25 3inn n ASP 179 Ca 0.11 1.34 0.11 0.00 -0.50 0.00 0.00 54.79 55.85 3inn n ASP 179 Cb 0.60 -0.53 0.32 0.00 -1.14 0.00 0.00 41.12 40.37 3inn n ASP 179 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3inn n ASP 180 N -5.02 3.94 0.00 -1.12 5.75 -1.26 -4.92 116.55 113.92 3inn n ASP 180 Ca 0.22 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 3inn n ASP 180 Cb 0.73 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3inn n ASP 180 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3inn n GLY 181 N 1.59 2.47 3.73 6.12 0.00 -0.15 -4.96 105.19 114.00 3inn n GLY 181 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3inn n GLY 181 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3inn s LEU 182 N 0.00 4.38 0.21 0.99 2.96 -1.26 -4.58 118.68 121.38 3inn s LEU 182 Ca 0.00 2.62 -0.31 0.00 -0.22 0.00 0.00 54.13 56.22 3inn s LEU 182 Cb 0.00 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.97 3inn s LEU 182 CO 0.00 -0.73 1.57 0.00 -1.32 0.00 0.00 176.35 175.87 3inn s ALA 183 N 0.43 3.77 0.30 5.97 0.00 -1.26 -1.03 121.76 129.94 3inn s ALA 183 Ca 0.63 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.72 3inn s ALA 183 Cb -0.42 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 18.96 3inn s ALA 183 CO 0.38 -0.83 1.56 0.00 0.00 0.00 0.00 175.76 176.88 3inn s SER 185 N 0.36 -0.61 0.27 0.00 0.15 -1.26 -4.92 113.70 107.68 3inn s SER 185 Ca 0.62 0.81 0.24 0.00 0.70 0.00 0.00 55.95 58.33 3inn s SER 185 Cb -0.50 0.70 0.98 0.00 -1.71 0.00 0.00 66.02 65.48 3inn s SER 185 CO 0.51 -0.46 1.73 -1.54 1.20 0.00 0.00 173.24 174.68 3inn n SER 186 N 1.31 0.71 0.24 5.45 3.41 -1.26 -2.30 113.62 121.18 3inn n SER 186 Ca -0.16 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 3inn n SER 186 Cb 0.57 -0.82 0.45 0.00 -0.26 0.00 0.00 64.21 64.15 3inn n SER 186 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3inn h ARG 187 N 0.00 0.00 -0.73 4.33 -0.00 -1.95 -3.32 114.38 112.71 3inn h ARG 187 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.49 3inn h ARG 187 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.34 3inn h ARG 187 CO 0.00 0.11 0.48 -0.91 0.00 0.00 0.00 179.97 179.65 3inn h ASN 188 N 0.00 0.82 -0.85 7.04 2.35 -1.84 -2.77 115.58 120.34 3inn h ASN 188 Ca -0.00 -0.02 0.25 0.00 -0.55 0.00 0.00 56.30 55.97 3inn h ASN 188 Cb 0.76 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 3inn h ASN 188 CO 0.01 0.59 0.69 0.58 -1.65 0.00 0.00 177.43 177.65 3inn h VAL 189 N 0.97 0.42 0.00 2.81 2.07 -1.77 -2.13 116.25 118.63 3inn h VAL 189 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 3inn h VAL 189 Cb -0.09 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3inn h VAL 189 CO -0.06 0.00 -0.23 -1.22 0.02 0.00 0.00 177.57 176.08 3inn n TYR 190 N -4.01 0.77 -2.20 1.57 4.01 -1.05 -4.88 117.16 111.38 3inn n TYR 190 Ca 0.18 0.22 -0.40 0.00 -0.16 0.00 0.00 57.90 57.74 3inn n TYR 190 Cb 0.99 -0.82 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3inn n TYR 190 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3inn s LEU 191 N -4.37 4.43 0.74 7.72 1.43 -0.80 -4.97 118.68 122.86 3inn s LEU 191 Ca 0.09 2.58 -0.13 0.00 -1.03 0.00 0.00 54.13 55.64 3inn s LEU 191 Cb 0.13 -3.68 0.05 0.00 0.03 0.00 0.00 46.19 42.72 3inn s LEU 191 CO 0.64 -0.47 1.13 0.42 0.23 0.00 0.00 176.35 178.30 3inn s THR 192 N -1.17 2.93 0.34 5.49 -4.23 -1.26 -4.75 115.64 113.00 3inn s THR 192 Ca 0.49 0.38 0.08 0.00 -1.18 0.00 0.00 61.69 61.45 3inn s THR 192 Cb -0.37 -2.82 0.32 0.00 1.34 0.00 0.00 72.50 70.96 3inn s THR 192 CO 0.49 -0.33 1.84 -0.65 -0.54 0.00 0.00 174.62 175.44 3inn h PRO 193 N -0.66 0.71 -0.55 3.99 0.11 -1.98 0.19 132.00 133.81 3inn h PRO 193 Ca -0.45 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3inn h PRO 193 Cb 1.25 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3inn h PRO 193 CO 0.51 0.47 0.31 1.49 -0.21 0.00 0.00 178.00 180.57 3inn h GLU 194 N 0.74 0.59 -0.57 1.05 4.81 -2.00 -1.90 114.58 117.31 3inn h GLU 194 Ca 0.49 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.58 3inn h GLU 194 Cb 0.77 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3inn h GLU 194 CO -0.25 0.39 -0.07 1.96 -0.73 0.00 0.00 179.01 180.31 3inn h GLN 195 N 0.61 1.05 -0.79 1.92 4.20 -1.46 -1.93 115.11 118.71 3inn h GLN 195 Ca 0.23 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3inn h GLN 195 Cb 0.08 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3inn h GLN 195 CO -0.13 1.07 0.51 -0.09 -0.67 0.00 0.00 178.83 179.52 3inn h ARG 196 N 0.94 1.05 0.00 1.46 9.65 -0.46 0.22 114.38 127.24 3inn h ARG 196 Ca 0.15 -0.07 -0.12 0.00 -1.10 0.00 0.00 59.98 58.84 3inn h ARG 196 Cb 0.64 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 3inn h ARG 196 CO 0.04 0.70 -0.58 0.00 2.80 0.00 0.00 179.97 182.94 3inn h ARG 197 N 1.08 0.00 0.00 0.20 2.47 -1.13 -2.94 114.38 114.06 3inn h ARG 197 Ca 0.29 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.89 3inn h ARG 197 Cb -0.11 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 3inn h ARG 197 CO -0.06 0.58 -0.56 0.00 0.56 0.00 0.00 179.97 180.48 3inn h ALA 198 N 1.42 0.86 0.00 0.04 0.00 -0.46 -3.33 119.26 117.80 3inn h ALA 198 Ca -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3inn h ALA 198 Cb 1.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3inn h ALA 198 CO 0.07 0.70 -0.08 0.00 0.00 0.00 0.00 179.25 179.95 3inn h ALA 199 N 1.44 1.06 -0.20 0.00 0.00 -0.42 -2.23 119.26 118.91 3inn h ALA 199 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3inn h ALA 199 Cb 1.14 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3inn h ALA 199 CO 0.07 0.10 0.37 0.97 0.00 0.00 0.00 179.25 180.76 3inn h ILE 200 N 0.00 0.21 -0.21 0.00 2.10 -1.68 -0.30 117.51 117.63 3inn h ILE 200 Ca -0.00 0.00 0.06 0.00 1.08 0.00 0.00 64.86 66.00 3inn h ILE 200 Cb 0.47 0.68 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 3inn h ILE 200 CO 0.01 0.00 0.22 -0.29 -1.08 0.00 0.00 178.15 177.01 3inn h ILE 201 N 0.00 0.53 0.46 2.19 6.09 -1.68 -2.44 117.51 122.66 3inn h ILE 201 Ca 0.10 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.56 3inn h ILE 201 Cb 0.83 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.96 3inn h ILE 201 CO -0.00 0.00 -0.22 0.58 -3.07 0.00 0.00 178.15 175.44 3inn h VAL 202 N 0.00 0.00 -0.04 2.19 2.07 -1.30 -0.48 116.25 118.69 3inn h VAL 202 Ca 0.10 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 3inn h VAL 202 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3inn h VAL 202 CO -0.00 0.00 -0.31 1.55 0.02 0.00 0.00 177.57 178.83 3inn h PRO 203 N -0.66 0.07 -0.46 1.57 0.13 -1.74 -0.65 132.00 130.26 3inn h PRO 203 Ca -0.06 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.11 3inn h PRO 203 Cb 0.47 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 3inn h PRO 203 CO 0.10 0.38 0.31 1.96 -0.23 0.00 0.00 178.00 180.53 3inn h GLN 204 N 0.07 0.32 -0.18 0.86 4.20 -1.43 -1.20 115.11 117.73 3inn h GLN 204 Ca 0.01 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 3inn h GLN 204 Cb 0.58 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3inn h GLN 204 CO 0.04 0.21 -0.47 0.00 -0.67 0.00 0.00 178.83 177.94 3inn h ALA 205 N 1.76 0.84 -0.32 3.87 0.00 0.53 -1.54 119.26 124.39 3inn h ALA 205 Ca 0.21 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3inn h ALA 205 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3inn h ALA 205 CO -0.05 0.66 -0.19 -0.07 0.00 0.00 0.00 179.25 179.60 3inn h LEU 206 N 0.38 0.73 -0.50 0.00 3.38 -1.20 0.18 115.31 118.28 3inn h LEU 206 Ca 0.02 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3inn h LEU 206 Cb 0.97 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3inn h LEU 206 CO 0.09 1.00 0.15 0.44 0.09 0.00 0.00 178.44 180.20 3inn h ASP 207 N 0.47 0.12 -0.55 -0.43 3.32 -1.19 0.34 116.42 118.50 3inn h ASP 207 Ca 0.07 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 3inn h ASP 207 Cb 0.74 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 3inn h ASP 207 CO 0.05 0.09 0.10 -0.08 -1.72 0.00 0.00 179.24 177.69 3inn h GLU 208 N 0.31 0.94 0.10 3.56 4.57 -1.17 0.14 114.58 123.04 3inn h GLU 208 Ca 0.24 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3inn h GLU 208 Cb 0.29 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3inn h GLU 208 CO -0.27 0.87 -0.19 0.00 -1.18 0.00 0.00 179.01 178.24 3inn h ALA 209 N 1.21 -0.31 -0.51 2.92 0.00 0.50 -0.71 119.26 122.36 3inn h ALA 209 Ca 0.18 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3inn h ALA 209 Cb 0.38 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3inn h ALA 209 CO 0.01 -0.71 -0.26 0.22 0.00 0.00 0.00 179.25 178.50 3inn h ASP 210 N -0.36 -0.90 -0.29 0.00 -0.00 -0.01 -2.16 116.42 112.69 3inn h ASP 210 Ca 0.03 0.19 0.01 0.00 -0.00 0.00 0.00 57.03 57.26 3inn h ASP 210 Cb 0.38 0.47 -0.02 0.00 -0.00 0.00 0.00 39.33 40.16 3inn h ASP 210 CO -0.10 -0.27 0.17 -0.09 -0.00 0.00 0.00 179.24 178.94 3inn h ARG 211 N -0.14 0.34 -0.71 0.28 2.43 -0.20 -0.87 114.38 115.50 3inn h ARG 211 Ca 0.23 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3inn h ARG 211 Cb 0.51 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3inn h ARG 211 CO -0.59 0.22 0.35 -0.07 -1.51 0.00 0.00 179.97 178.37 3inn h LEU 212 N 0.35 0.91 -0.37 3.80 3.38 -0.88 -1.32 115.31 121.17 3inn h LEU 212 Ca 0.11 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3inn h LEU 212 Cb -0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3inn h LEU 212 CO -0.05 0.77 -0.15 0.22 0.09 0.00 0.00 178.44 179.32 3inn h TYR 213 N 1.01 0.87 -0.25 1.13 3.20 -0.94 -2.29 116.97 119.70 3inn h TYR 213 Ca 0.25 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3inn h TYR 213 Cb 0.09 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3inn h TYR 213 CO 0.01 0.93 0.10 0.00 -1.64 0.00 0.00 178.16 177.56 3inn h ARG 214 N 0.56 0.34 -0.04 1.82 3.08 -0.85 -1.91 114.38 117.37 3inn h ARG 214 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3inn h ARG 214 Cb 0.69 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3inn h ARG 214 CO 0.05 0.29 0.00 -1.13 -1.07 0.00 0.00 179.97 178.11 3inn n SER 215 N -4.43 0.31 0.00 7.04 3.41 -0.53 -4.90 113.62 114.52 3inn n SER 215 Ca 0.01 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 3inn n SER 215 Cb 0.13 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3inn n SER 215 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3inn n GLY 216 N 0.78 0.84 3.71 5.00 0.00 -0.72 -5.04 105.19 109.77 3inn n GLY 216 Ca 0.11 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3inn n GLY 216 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3inn n MET 217 N -2.31 2.79 0.00 1.61 0.00 -0.89 -4.89 117.12 113.44 3inn n MET 217 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 57.70 58.72 3inn n MET 217 Cb 0.00 -2.88 -0.00 0.00 0.00 0.00 0.00 33.22 30.34 3inn n MET 217 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3inn n ASP 218 N 4.60 0.58 -4.26 6.12 2.03 -1.26 -4.37 116.55 119.99 3inn n ASP 218 Ca 0.17 -0.79 -0.33 0.00 0.52 0.00 0.00 54.79 54.35 3inn n ASP 218 Cb 0.36 0.60 -0.15 0.00 -0.72 0.00 0.00 41.12 41.20 3inn n ASP 218 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3inn s ASP 219 N -0.84 3.72 0.53 1.67 -1.08 -1.26 -1.45 116.67 117.96 3inn s ASP 219 Ca 0.02 -0.47 0.26 0.00 -0.52 0.00 0.00 52.55 51.84 3inn s ASP 219 Cb 0.02 -1.58 1.48 0.00 -1.46 0.00 0.00 42.92 41.37 3inn s ASP 219 CO 0.08 0.06 2.11 1.55 0.52 0.00 0.00 175.17 179.49 3inn h PRO 220 N 7.49 0.00 0.01 4.34 0.13 -1.87 -2.07 132.00 140.04 3inn h PRO 220 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 3inn h PRO 220 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3inn h PRO 220 CO 0.58 0.10 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.81 3inn h ASP 221 N 0.00 0.15 -0.85 1.44 3.32 -1.95 -1.55 116.42 116.98 3inn h ASP 221 Ca -0.00 -0.85 0.22 0.00 0.02 0.00 0.00 57.03 56.42 3inn h ASP 221 Cb 0.25 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 39.61 3inn h ASP 221 CO 0.01 0.99 0.16 0.00 -1.72 0.00 0.00 179.24 178.68 3inn h ALA 222 N 0.17 1.14 -0.35 3.45 0.00 -1.96 0.13 119.26 121.84 3inn h ALA 222 Ca -0.03 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3inn h ALA 222 Cb 1.03 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3inn h ALA 222 CO 0.04 -0.46 -0.07 1.25 0.00 0.00 0.00 179.25 180.01 3inn h LEU 223 N 0.17 0.67 -0.42 0.00 5.85 -1.36 -0.86 115.31 119.36 3inn h LEU 223 Ca 0.52 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3inn h LEU 223 Cb 1.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3inn h LEU 223 CO -0.67 0.86 0.24 -0.08 -0.34 0.00 0.00 178.44 178.45 3inn h GLU 224 N 0.46 0.58 -0.51 1.25 4.81 -0.26 -0.34 114.58 120.59 3inn h GLU 224 Ca 0.09 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3inn h GLU 224 Cb 0.56 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3inn h GLU 224 CO 0.03 0.46 -0.03 0.00 -0.73 0.00 0.00 179.01 178.73 3inn h ALA 225 N 1.09 0.99 -0.51 2.92 0.00 -0.70 0.15 119.26 123.20 3inn h ALA 225 Ca 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3inn h ALA 225 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3inn h ALA 225 CO -0.03 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.85 3inn h ALA 226 N 1.15 1.07 -0.13 0.00 0.00 -0.77 -1.69 119.26 118.89 3inn h ALA 226 Ca 0.15 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3inn h ALA 226 Cb 0.53 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3inn h ALA 226 CO 0.03 0.59 -0.63 0.82 0.00 0.00 0.00 179.25 180.06 3inn h ILE 227 N 0.79 1.32 -0.15 0.00 2.04 -0.65 -1.80 117.51 119.06 3inn h ILE 227 Ca 0.15 -1.88 0.05 0.00 1.00 0.00 0.00 64.86 64.18 3inn h ILE 227 Cb 0.45 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.54 3inn h ILE 227 CO 0.02 0.58 -0.39 -0.09 0.00 0.00 0.00 178.15 178.27 3inn h ARG 228 N 0.34 -0.44 -0.86 2.37 9.65 -0.61 -1.87 114.38 122.96 3inn h ARG 228 Ca -0.04 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3inn h ARG 228 Cb 1.27 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.90 3inn h ARG 228 CO 0.13 -0.29 0.56 1.15 2.80 0.00 0.00 179.97 184.31 3inn h THR 229 N -0.46 1.15 -0.85 0.20 2.02 -1.30 -1.84 112.91 111.83 3inn h THR 229 Ca 0.09 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3inn h THR 229 Cb 0.60 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 3inn h THR 229 CO -0.40 0.20 0.43 0.15 0.37 0.00 0.00 175.52 176.28 3inn h PHE 230 N 1.09 1.19 -0.01 3.16 3.57 -1.05 -2.64 116.94 122.26 3inn h PHE 230 Ca 0.34 -0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.63 3inn h PHE 230 Cb -0.01 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 3inn h PHE 230 CO -0.02 0.85 -0.77 0.82 -2.23 0.00 0.00 178.31 176.96 3inn h ILE 231 N 1.19 1.51 -0.95 1.41 2.04 -1.07 -2.95 117.51 118.70 3inn h ILE 231 Ca 0.29 -2.51 0.21 0.00 1.00 0.00 0.00 64.86 63.85 3inn h ILE 231 Cb 0.08 2.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.44 3inn h ILE 231 CO -0.04 0.72 0.61 1.23 0.00 0.00 0.00 178.15 180.68 3inn h GLY 232 N 2.04 1.15 0.53 5.37 0.00 -0.97 0.66 103.07 111.85 3inn h GLY 232 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3inn h GLY 232 CO 0.11 -0.03 0.70 0.07 0.00 0.00 0.00 176.54 177.39 3inn h ARG 233 N 0.51 0.00 -3.61 4.80 -0.00 -1.38 -3.25 114.38 111.44 3inn h ARG 233 Ca 0.51 0.00 -0.63 0.00 -0.00 0.00 0.00 59.98 59.86 3inn h ARG 233 Cb 1.14 0.00 -0.40 0.00 -0.00 0.00 0.00 29.97 30.70 3inn h ARG 233 CO -0.24 0.00 -0.70 -1.14 -0.00 0.00 0.00 179.97 177.89 3inn s GLN 234 N -3.86 1.50 0.51 0.08 2.00 0.22 -5.01 119.66 115.11 3inn s GLN 234 Ca -0.01 -2.07 0.18 0.00 -2.00 0.00 0.00 55.36 51.46 3inn s GLN 234 Cb 0.03 -2.85 1.27 0.00 0.80 0.00 0.00 33.01 32.26 3inn s GLN 234 CO 0.10 -1.07 2.08 -1.35 -0.50 0.00 0.00 175.29 174.55 3inn h PRO 235 N 7.04 0.07 0.00 1.67 0.11 -1.80 -0.14 132.00 138.95 3inn h PRO 235 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3inn h PRO 235 Cb 0.95 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3inn h PRO 235 CO 0.56 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.68 3inn n LEU 236 N -4.48 0.00 -4.02 2.35 4.77 -1.26 -4.62 117.00 109.73 3inn n LEU 236 Ca 0.03 0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 3inn n LEU 236 Cb 0.28 -0.22 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 3inn n LEU 236 CO 0.35 -0.18 -0.49 0.00 -1.33 0.00 0.00 177.39 175.75 3inn s ALA 237 N -2.43 1.89 -0.17 -1.18 0.00 -0.06 -2.92 121.76 116.88 3inn s ALA 237 Ca 0.06 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 3inn s ALA 237 Cb 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3inn s ALA 237 CO 0.08 -0.39 -0.14 0.08 0.00 0.00 0.00 175.76 175.39 3inn s VAL 238 N 1.48 2.66 -0.47 0.00 1.01 0.50 -4.72 120.40 120.87 3inn s VAL 238 Ca 0.05 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 3inn s VAL 238 Cb -0.13 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3inn s VAL 238 CO -0.11 0.51 0.96 -2.16 0.00 0.00 0.00 175.10 174.30 3inn s PRO 239 N 1.00 3.55 -0.04 2.72 0.04 -1.26 0.31 135.00 141.33 3inn s PRO 239 Ca -0.02 0.21 -0.25 0.00 0.04 0.00 0.00 61.00 60.98 3inn s PRO 239 Cb -0.15 -3.93 -0.20 0.00 0.04 0.00 0.00 34.50 30.27 3inn s PRO 239 CO -0.03 -1.26 1.15 0.93 0.04 0.00 0.00 177.00 177.82 3inn h GLU 240 N 9.12 -0.06 -3.37 4.56 5.08 -1.04 -3.46 114.58 125.41 3inn h GLU 240 Ca -0.24 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.84 3inn h GLU 240 Cb 1.07 0.01 -0.34 0.00 0.50 0.00 0.00 28.75 30.00 3inn h GLU 240 CO 1.05 0.45 -0.68 0.08 -1.00 0.00 0.00 179.01 178.91 3inn s VAL 241 N -3.94 -0.08 -0.47 3.13 1.01 -0.89 -5.02 120.40 114.15 3inn s VAL 241 Ca -0.16 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 3inn s VAL 241 Cb 0.01 -0.16 0.13 0.00 0.00 0.00 0.00 36.38 36.36 3inn s VAL 241 CO 0.63 0.10 0.26 -0.63 0.00 0.00 0.00 175.10 175.46 3inn s ILE 242 N 1.30 3.22 -0.35 2.22 1.01 -1.26 -1.28 121.20 126.05 3inn s ILE 242 Ca -0.07 -2.49 -0.19 0.00 0.00 0.00 0.00 60.65 57.91 3inn s ILE 242 Cb -0.12 -3.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 3inn s ILE 242 CO -0.04 -0.75 0.55 0.00 0.00 0.00 0.00 174.94 174.71 3inn s ALA 243 N 0.61 3.47 -0.35 9.38 0.00 0.05 -4.96 121.76 129.97 3inn s ALA 243 Ca 0.12 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 3inn s ALA 243 Cb -0.22 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3inn s ALA 243 CO -0.04 -1.27 0.14 0.42 0.00 0.00 0.00 175.76 175.02 3inn s ILE 244 N 2.50 4.14 0.06 0.00 -1.09 -1.26 -0.47 121.20 125.07 3inn s ILE 244 Ca 0.21 -0.95 -0.03 0.00 -2.23 0.00 0.00 60.65 57.65 3inn s ILE 244 Cb -0.15 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3inn s ILE 244 CO 0.14 -0.16 0.02 -0.13 -1.23 0.00 0.00 174.94 173.57 3inn s ARG 245 N 1.48 0.65 0.10 2.79 1.81 0.19 -4.29 118.95 121.68 3inn s ARG 245 Ca 0.00 -1.14 -0.31 0.00 -1.72 0.00 0.00 55.73 52.56 3inn s ARG 245 Cb -0.19 0.23 -0.09 0.00 -0.45 0.00 0.00 34.95 34.45 3inn s ARG 245 CO 0.04 -0.14 1.77 0.34 -0.68 0.00 0.00 175.30 176.64 3inn s ASP 246 N -2.86 6.49 0.42 0.23 -1.08 -0.59 0.40 116.67 119.69 3inn s ASP 246 Ca 0.06 2.65 0.29 0.00 -0.52 0.00 0.00 52.55 55.03 3inn s ASP 246 Cb 0.07 -2.56 1.22 0.00 -1.46 0.00 0.00 42.92 40.19 3inn s ASP 246 CO -0.10 -0.97 1.87 -0.65 0.52 0.00 0.00 175.17 175.84 3inn h PRO 247 N 8.65 0.00 0.00 4.34 0.11 -1.90 0.14 132.00 143.34 3inn h PRO 247 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3inn h PRO 247 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3inn h PRO 247 CO 0.94 0.00 -0.17 1.49 -0.21 0.00 0.00 178.00 180.05 3inn h GLU 248 N 0.00 0.00 -0.00 1.05 4.81 -1.95 -3.41 114.58 115.08 3inn h GLU 248 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3inn h GLU 248 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3inn h GLU 248 CO 0.00 0.39 -0.94 0.25 -0.73 0.00 0.00 179.01 177.98 3inn n THR 249 N -4.68 0.00 -1.44 0.32 -2.24 -1.23 -4.98 114.28 100.04 3inn n THR 249 Ca -0.07 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 3inn n THR 249 Cb 0.24 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.37 3inn n THR 249 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3inn n LEU 250 N -1.41 -0.86 -4.91 3.22 4.77 0.50 -4.83 117.00 113.48 3inn n LEU 250 Ca 0.04 0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 56.13 3inn n LEU 250 Cb 0.34 -2.71 0.01 0.00 -2.33 0.00 0.00 43.42 38.73 3inn n LEU 250 CO 0.42 -1.04 0.47 -1.61 -1.33 0.00 0.00 177.39 174.30 3inn s GLU 251 N -3.27 3.39 0.71 3.23 2.02 -1.26 -4.62 118.70 118.91 3inn s GLU 251 Ca 0.00 0.16 -0.16 0.00 0.02 0.00 0.00 54.97 54.99 3inn s GLU 251 Cb 0.00 -2.34 0.02 0.00 0.10 0.00 0.00 34.13 31.91 3inn s GLU 251 CO 0.00 -0.33 1.23 0.54 0.02 0.00 0.00 175.26 176.72 3inn n ARG 252 N -2.35 0.73 -4.13 1.61 1.74 -1.26 -1.54 116.66 111.46 3inn n ARG 252 Ca 0.02 0.31 -0.31 0.00 -0.77 0.00 0.00 57.85 57.11 3inn n ARG 252 Cb 0.56 -2.47 -0.08 0.00 -1.02 0.00 0.00 32.46 29.45 3inn n ARG 252 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3inn s LEU 253 N -4.70 3.57 0.13 0.55 1.43 -1.26 -4.77 118.68 113.62 3inn s LEU 253 Ca 0.79 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.87 3inn s LEU 253 Cb -0.35 -2.25 -0.18 0.00 0.03 0.00 0.00 46.19 43.45 3inn s LEU 253 CO 0.45 0.19 1.25 1.55 0.23 0.00 0.00 176.35 180.02 3inn h PRO 254 N 3.54 0.00 -3.34 1.29 0.13 -1.97 -3.45 132.00 128.21 3inn h PRO 254 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3inn h PRO 254 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 3inn h PRO 254 CO 0.61 0.90 0.02 0.00 -0.23 0.00 0.00 178.00 179.30 3inn s ALA 255 N -2.73 -0.84 -0.18 -0.56 0.00 -1.26 -4.79 121.76 111.40 3inn s ALA 255 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3inn s ALA 255 Cb 0.10 0.89 -0.11 0.00 0.00 0.00 0.00 23.12 23.99 3inn s ALA 255 CO 0.81 -0.84 -0.16 1.28 0.00 0.00 0.00 175.76 176.85 3inn n LEU 256 N -0.36 2.91 -4.77 0.00 4.77 -0.53 -4.92 117.00 114.12 3inn n LEU 256 Ca -0.08 -0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.43 3inn n LEU 256 Cb 0.62 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3inn n LEU 256 CO 0.18 0.78 0.91 -1.10 -1.33 0.00 0.00 177.39 176.83 3inn s GLN 257 N -2.35 4.11 0.00 3.23 -1.52 -1.26 -3.34 119.66 118.53 3inn s GLN 257 Ca -0.24 2.02 0.00 0.00 -1.95 0.00 0.00 55.36 55.19 3inn s GLN 257 Cb 0.06 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 30.04 3inn s GLN 257 CO 0.41 -0.33 0.00 0.41 -0.25 0.00 0.00 175.29 175.53 3inn n GLY 258 N 0.72 0.61 3.28 3.09 0.00 -1.26 -5.02 105.19 106.61 3inn n GLY 258 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3inn n GLY 258 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3inn s ARG 259 N -0.19 0.57 0.48 1.61 1.70 -1.21 -4.76 118.95 117.15 3inn s ARG 259 Ca 0.00 0.27 -0.23 0.00 -0.47 0.00 0.00 55.73 55.30 3inn s ARG 259 Cb 0.00 0.26 -0.07 0.00 -0.57 0.00 0.00 34.95 34.58 3inn s ARG 259 CO 0.00 -0.12 1.29 -1.25 -1.08 0.00 0.00 175.30 174.14 3inn s PRO 260 N -0.41 3.55 0.03 3.89 0.05 -1.26 -4.79 135.00 136.06 3inn s PRO 260 Ca -0.05 2.08 0.06 0.00 0.05 0.00 0.00 61.00 63.13 3inn s PRO 260 Cb -0.03 -2.43 -0.02 0.00 0.05 0.00 0.00 34.50 32.06 3inn s PRO 260 CO 0.02 -0.81 -0.18 0.96 0.05 0.00 0.00 177.00 177.05 3inn s ILE 261 N -1.37 1.41 -0.15 0.56 -4.36 0.36 -4.52 121.20 113.13 3inn s ILE 261 Ca 0.65 -1.06 -0.15 0.00 -0.26 0.00 0.00 60.65 59.84 3inn s ILE 261 Cb -0.36 -1.23 -0.05 0.00 1.25 0.00 0.00 42.46 42.07 3inn s ILE 261 CO 0.44 0.15 0.33 -0.22 0.24 0.00 0.00 174.94 175.89 3inn s LEU 262 N -1.06 4.26 -0.24 0.37 2.96 0.16 -0.07 118.68 125.07 3inn s LEU 262 Ca 0.05 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 3inn s LEU 262 Cb -0.08 -2.44 0.05 0.00 0.50 0.00 0.00 46.19 44.21 3inn s LEU 262 CO 0.01 0.09 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.32 3inn s VAL 263 N 0.43 2.26 -0.10 1.68 1.01 -0.62 -0.63 120.40 124.43 3inn s VAL 263 Ca 0.19 -1.39 0.04 0.00 0.00 0.00 0.00 61.98 60.81 3inn s VAL 263 Cb -0.13 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 3inn s VAL 263 CO 0.05 0.13 -0.23 0.00 0.00 0.00 0.00 175.10 175.06 3inn s ALA 264 N 1.18 2.22 -0.08 5.51 0.00 0.38 -1.03 121.76 129.95 3inn s ALA 264 Ca -0.04 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 50.99 3inn s ALA 264 Cb -0.18 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 3inn s ALA 264 CO -0.07 0.29 -0.18 -0.51 0.00 0.00 0.00 175.76 175.29 3inn s LEU 265 N 0.32 2.45 -0.19 0.00 1.43 -0.02 -0.77 118.68 121.90 3inn s LEU 265 Ca -0.17 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3inn s LEU 265 Cb -0.18 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.59 3inn s LEU 265 CO 0.08 0.25 -0.11 -0.36 0.23 0.00 0.00 176.35 176.45 3inn s PHE 266 N -0.17 2.31 -0.03 0.29 0.40 -0.41 -2.63 117.98 117.74 3inn s PHE 266 Ca -0.02 -1.48 0.03 0.00 -0.60 0.00 0.00 56.93 54.87 3inn s PHE 266 Cb -0.14 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.79 3inn s PHE 266 CO 0.03 -0.72 -0.12 0.08 0.70 0.00 0.00 175.22 175.20 3inn s VAL 267 N 1.43 1.02 -0.27 -0.44 1.01 -0.46 -0.35 120.40 122.34 3inn s VAL 267 Ca 0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 3inn s VAL 267 Cb -0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3inn s VAL 267 CO -0.09 0.31 0.52 -0.60 0.00 0.00 0.00 175.10 175.24 3inn s ARG 268 N 0.19 4.03 -0.36 2.72 6.06 0.93 -1.44 118.95 131.08 3inn s ARG 268 Ca -0.04 0.29 0.01 0.00 -2.50 0.00 0.00 55.73 53.49 3inn s ARG 268 Cb -0.10 -3.67 0.10 0.00 0.06 0.00 0.00 34.95 31.34 3inn s ARG 268 CO 0.01 -0.38 0.10 0.08 -2.50 0.00 0.00 175.30 172.61 3inn s VAL 269 N 2.33 2.65 0.00 7.11 1.01 -0.74 0.19 120.40 132.95 3inn s VAL 269 Ca 0.21 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.99 3inn s VAL 269 Cb -0.16 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3inn s VAL 269 CO 0.10 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.20 3inn n GLY 270 N 4.39 1.33 0.09 4.51 0.00 -1.15 -2.14 105.19 112.22 3inn n GLY 270 Ca 0.01 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 3inn n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inn n ALA 271 N 9.39 1.48 -2.47 4.61 0.00 -1.26 -4.98 120.51 127.28 3inn n ALA 271 Ca 0.00 -0.94 -0.37 0.00 0.00 0.00 0.00 53.44 52.13 3inn n ALA 271 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 3inn n ALA 271 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3inn s THR 272 N -2.56 4.99 -0.18 0.00 2.01 -0.91 -5.05 115.64 113.93 3inn s THR 272 Ca -0.07 0.84 -0.18 0.00 0.31 0.00 0.00 61.69 62.59 3inn s THR 272 Cb 0.07 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3inn s THR 272 CO 0.82 0.52 0.48 -0.60 -0.69 0.00 0.00 174.62 175.15 3inn s ARG 273 N -1.25 4.22 -0.04 4.92 3.52 -1.26 -1.79 118.95 127.27 3inn s ARG 273 Ca 0.26 0.37 0.05 0.00 -0.13 0.00 0.00 55.73 56.28 3inn s ARG 273 Cb -0.17 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 3inn s ARG 273 CO 0.15 -0.05 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.88 3inn s LEU 274 N 1.32 2.42 0.03 -0.88 1.43 -0.52 -4.97 118.68 117.51 3inn s LEU 274 Ca 0.23 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3inn s LEU 274 Cb -0.15 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 3inn s LEU 274 CO 0.09 0.32 -0.19 -0.76 0.23 0.00 0.00 176.35 176.04 3inn s LEU 275 N -0.59 2.13 0.14 1.79 1.43 -1.26 -1.36 118.68 120.96 3inn s LEU 275 Ca 0.09 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 3inn s LEU 275 Cb -0.11 -0.91 0.07 0.00 0.03 0.00 0.00 46.19 45.27 3inn s LEU 275 CO 0.00 0.16 0.68 -0.62 0.23 0.00 0.00 176.35 176.80 3inn s ASP 276 N -0.96 -0.48 0.17 2.29 2.15 -1.08 -4.87 116.67 113.88 3inn s ASP 276 Ca 0.06 -0.08 -0.19 0.00 0.43 0.00 0.00 52.55 52.77 3inn s ASP 276 Cb -0.08 0.57 0.04 0.00 -0.30 0.00 0.00 42.92 43.15 3inn s ASP 276 CO 0.01 -0.94 0.53 0.54 -0.17 0.00 0.00 175.17 175.14 3inn s ASN 277 N -2.72 -0.36 -0.12 -0.34 2.20 -1.26 -0.84 114.94 111.50 3inn s ASN 277 Ca 0.03 -0.28 -0.08 0.00 -0.94 0.00 0.00 52.86 51.59 3inn s ASN 277 Cb -0.02 0.57 0.04 0.00 -2.00 0.00 0.00 41.25 39.85 3inn s ASN 277 CO -0.10 -0.99 0.29 -0.60 -2.94 0.00 0.00 177.10 172.77 3inn s ARG 278 N -3.82 0.29 -0.20 3.55 3.52 -0.20 -4.99 118.95 117.11 3inn s ARG 278 Ca 0.05 0.54 -0.27 0.00 -0.13 0.00 0.00 55.73 55.92 3inn s ARG 278 Cb -0.01 -0.01 -0.00 0.00 -1.56 0.00 0.00 34.95 33.37 3inn s ARG 278 CO -0.08 -0.12 0.92 0.08 -0.81 0.00 0.00 175.30 175.29 3inn s VAL 279 N 0.92 4.80 -0.13 7.11 1.01 -1.26 -1.58 120.40 131.27 3inn s VAL 279 Ca -0.06 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.72 3inn s VAL 279 Cb -0.07 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 3inn s VAL 279 CO -0.06 -0.06 -0.17 -0.63 0.00 0.00 0.00 175.10 174.17 3inn s ILE 280 N 2.60 2.63 0.00 2.22 1.01 0.90 -4.94 121.20 125.63 3inn s ILE 280 Ca 0.41 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3inn s ILE 280 Cb -0.16 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3inn s ILE 280 CO 0.10 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.18 3inn n GLY 281 N 3.70 0.03 3.32 6.18 0.00 -1.26 -0.49 105.19 116.67 3inn n GLY 281 Ca -0.19 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 3inn n GLY 281 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3inn s HIS 282 N -2.16 0.38 0.12 1.61 -3.43 -1.26 -4.60 115.29 105.95 3inn s HIS 282 Ca 0.00 -0.75 -0.30 0.00 -0.80 0.00 0.00 55.06 53.20 3inn s HIS 282 Cb 0.00 -0.06 -0.07 0.00 -1.43 0.00 0.00 32.58 31.02 3inn s HIS 282 CO 0.00 -0.70 1.19 0.00 -2.00 0.00 0.00 174.74 173.23 3inn s ALA 283 N -3.96 3.41 0.42 -1.38 0.00 -1.26 -4.41 121.76 114.57 3inn s ALA 283 Ca 0.16 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3inn s ALA 283 Cb 0.04 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3inn s ALA 283 CO -0.01 -0.39 0.64 0.00 0.00 0.00 0.00 175.76 176.00 3inn s ALA 284 N 0.56 3.72 0.66 0.00 0.00 -1.26 -5.08 121.76 120.35 3inn s ALA 284 Ca 0.56 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 51.37 3inn s ALA 284 Cb -0.31 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 3inn s ALA 284 CO 0.32 -0.26 0.96 -2.30 0.00 0.00 0.00 175.76 174.48 3inn n PRO 285 N -2.00 0.71 0.00 0.00 -0.02 -1.26 -5.16 135.00 127.27 3inn n PRO 285 Ca -0.01 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 3inn n PRO 285 Cb 0.57 -2.20 0.29 0.00 -0.02 0.00 0.00 33.50 32.15 3inn n PRO 285 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52