#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inn n MET 1 N 0.00 0.71 -3.40 0.00 0.00 -1.26 -4.96 117.12 108.21 3inn n MET 1 Ca 0.00 0.26 -0.38 0.00 -0.00 0.00 0.00 57.70 57.58 3inn n MET 1 Cb 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 33.22 31.31 3inn n MET 1 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3inn s GLN 2 N 0.64 4.26 -0.23 2.12 -0.21 -0.05 -4.96 119.66 121.22 3inn s GLN 2 Ca 0.89 0.27 -0.09 0.00 0.02 0.00 0.00 55.36 56.45 3inn s GLN 2 Cb -1.09 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 29.41 3inn s GLN 2 CO 0.53 0.11 0.11 0.42 -2.12 0.00 0.00 175.29 174.34 3inn s ILE 3 N 0.84 4.88 0.05 1.08 1.01 -1.26 -0.68 121.20 127.12 3inn s ILE 3 Ca 0.21 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.92 3inn s ILE 3 Cb -0.14 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 3inn s ILE 3 CO 0.08 0.36 -0.14 -0.63 0.00 0.00 0.00 174.94 174.60 3inn s ILE 4 N 1.15 1.12 -0.02 2.92 1.09 0.47 -4.98 121.20 122.95 3inn s ILE 4 Ca 0.06 -1.10 0.00 0.00 -1.10 0.00 0.00 60.65 58.52 3inn s ILE 4 Cb -0.14 -1.03 -0.01 0.00 -1.06 0.00 0.00 42.46 40.22 3inn s ILE 4 CO 0.04 -0.06 0.02 1.41 -0.10 0.00 0.00 174.94 176.25 3inn n HIS 5 N 1.71 0.00 -4.34 3.97 8.25 -1.26 -0.67 115.22 122.87 3inn n HIS 5 Ca -0.19 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.05 3inn n HIS 5 Cb 0.54 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.31 1.84 0.10 1.59 -4.23 -1.26 -4.16 115.64 108.20 3inn s THR 6 Ca 0.00 -1.94 -0.22 0.00 -1.18 0.00 0.00 61.69 58.36 3inn s THR 6 Cb 0.00 -1.86 -0.12 0.00 1.34 0.00 0.00 72.50 71.86 3inn s THR 6 CO 0.02 -0.32 1.72 0.40 -0.54 0.00 0.00 174.62 175.90 3inn h ILE 7 N 3.21 1.05 -0.73 2.99 2.04 -1.97 -0.71 117.51 123.39 3inn h ILE 7 Ca -0.42 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 3inn h ILE 7 Cb 1.21 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3inn h ILE 7 CO 0.51 0.05 0.20 -0.33 0.00 0.00 0.00 178.15 178.58 3inn h GLU 8 N 0.09 1.16 -0.52 2.37 5.08 -1.96 -0.71 114.58 120.08 3inn h GLU 8 Ca 0.03 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3inn h GLU 8 Cb 0.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3inn h GLU 8 CO -0.01 1.00 0.25 1.49 -1.00 0.00 0.00 179.01 180.75 3inn h GLU 9 N 1.10 0.76 -0.39 2.33 4.81 -1.94 -0.87 114.58 120.37 3inn h GLU 9 Ca 0.23 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3inn h GLU 9 Cb 0.35 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3inn h GLU 9 CO -0.00 0.63 0.24 1.25 -0.73 0.00 0.00 179.01 180.40 3inn h LEU 10 N 0.70 0.47 -0.54 1.64 6.46 -0.57 0.32 115.31 123.78 3inn h LEU 10 Ca 0.18 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 3inn h LEU 10 Cb 0.12 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 3inn h LEU 10 CO -0.02 0.37 0.11 0.03 -0.62 0.00 0.00 178.44 178.32 3inn h ARG 11 N 0.52 0.88 -0.90 1.25 3.08 -0.95 -1.20 114.38 117.06 3inn h ARG 11 Ca 0.14 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3inn h ARG 11 Cb -0.01 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3inn h ARG 11 CO -0.03 0.84 0.50 1.96 -1.07 0.00 0.00 179.97 182.17 3inn h GLN 12 N 0.77 1.25 -0.17 0.04 4.20 -1.03 -1.69 115.11 118.48 3inn h GLN 12 Ca 0.17 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 3inn h GLN 12 Cb 0.37 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3inn h GLN 12 CO 0.01 0.91 -0.31 0.00 -0.67 0.00 0.00 178.83 178.76 3inn h ALA 13 N 1.29 1.15 0.00 3.87 0.00 -0.40 -3.10 119.26 122.07 3inn h ALA 13 Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3inn h ALA 13 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3inn h ALA 13 CO -0.05 0.55 -0.32 -0.07 0.00 0.00 0.00 179.25 179.35 3inn h LEU 14 N 0.29 0.00 -0.56 0.00 3.38 -1.04 -3.39 115.31 113.99 3inn h LEU 14 Ca 0.04 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3inn h LEU 14 Cb 0.70 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 3inn h LEU 14 CO 0.05 0.04 0.20 0.00 0.09 0.00 0.00 178.44 178.82 3inn h ALA 15 N 2.38 0.70 -0.79 1.53 0.00 -1.23 -2.17 119.26 119.68 3inn h ALA 15 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3inn h ALA 15 Cb 0.81 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3inn h ALA 15 CO 0.00 -0.20 0.48 -1.35 0.00 0.00 0.00 179.25 178.18 3inn h PRO 16 N 0.39 0.85 -0.44 0.00 0.11 -1.78 0.00 132.00 131.13 3inn h PRO 16 Ca 0.27 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.42 3inn h PRO 16 Cb 0.32 -0.19 -0.07 0.00 0.11 0.00 0.00 31.00 31.16 3inn h PRO 16 CO -0.28 0.56 -0.02 0.00 -0.21 0.00 0.00 178.00 178.06 3inn h ALA 17 N 1.39 0.40 -0.53 -0.75 0.00 -1.67 0.20 119.26 118.30 3inn h ALA 17 Ca 0.35 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.31 3inn h ALA 17 Cb 0.18 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3inn h ALA 17 CO -0.18 -0.40 -0.02 0.00 0.00 0.00 0.00 179.25 178.66 3inn h ARG 18 N 0.09 0.92 -0.10 0.00 3.08 -0.95 -0.61 114.38 116.80 3inn h ARG 18 Ca 0.22 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3inn h ARG 18 Cb 0.33 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3inn h ARG 18 CO -0.38 0.92 0.01 1.96 -1.07 0.00 0.00 179.97 181.41 3inn h GLN 19 N 0.84 0.14 -0.65 0.04 1.08 0.26 -1.80 115.11 115.01 3inn h GLN 19 Ca 0.15 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3inn h GLN 19 Cb 0.52 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3inn h GLN 19 CO 0.03 0.15 0.00 1.04 -0.95 0.00 0.00 178.83 179.09 3inn n GLN 20 N -4.46 3.10 -2.03 1.46 6.02 0.59 -4.94 117.38 117.12 3inn n GLN 20 Ca -0.01 -2.51 -0.20 0.00 -0.01 0.00 0.00 57.00 54.27 3inn n GLN 20 Cb 0.13 -1.71 -0.04 0.00 1.02 0.00 0.00 30.24 29.63 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 1.26 0.59 3.77 1.08 0.00 -0.68 -4.96 105.19 106.25 3inn n GLY 21 Ca 0.23 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3inn n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inn s LYS 22 N -4.42 4.40 0.10 1.61 -0.14 -0.32 -5.01 119.74 115.97 3inn s LYS 22 Ca 0.00 1.95 -0.29 0.00 -1.36 0.00 0.00 55.97 56.26 3inn s LYS 22 Cb 0.00 -3.02 -0.06 0.00 -1.68 0.00 0.00 37.83 33.07 3inn s LYS 22 CO 0.00 -0.05 0.93 0.15 -0.76 0.00 0.00 175.35 175.62 3inn s LYS 23 N -1.78 4.67 -0.23 1.68 1.02 -1.26 -4.69 119.74 119.15 3inn s LYS 23 Ca 0.49 1.40 -0.04 0.00 0.02 0.00 0.00 55.97 57.83 3inn s LYS 23 Cb -0.34 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.59 3inn s LYS 23 CO 0.44 0.22 -0.02 0.42 -0.92 0.00 0.00 175.35 175.49 3inn s ILE 24 N -0.00 3.49 0.01 2.17 1.01 -1.26 -1.18 121.20 125.43 3inn s ILE 24 Ca 0.46 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.44 3inn s ILE 24 Cb -0.23 -2.63 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 3inn s ILE 24 CO 0.29 0.37 0.43 -0.83 0.00 0.00 0.00 174.94 175.19 3inn s GLY 25 N 1.48 2.50 -0.09 6.18 0.00 0.53 -0.93 107.32 117.01 3inn s GLY 25 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.59 3inn s GLY 25 CO -0.02 0.18 -0.10 -0.12 0.00 0.00 0.00 173.10 173.04 3inn s PHE 26 N -1.09 1.47 -0.32 1.90 5.36 -0.03 -0.44 117.98 124.82 3inn s PHE 26 Ca 0.25 -0.63 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 3inn s PHE 26 Cb -0.17 -1.14 0.09 0.00 -0.34 0.00 0.00 43.02 41.46 3inn s PHE 26 CO 0.14 -0.38 0.02 0.08 -1.46 0.00 0.00 175.22 173.62 3inn s VAL 27 N 1.11 2.41 -0.05 3.12 1.01 -0.24 -1.04 120.40 126.72 3inn s VAL 27 Ca -0.06 -2.07 -0.27 0.00 0.00 0.00 0.00 61.98 59.58 3inn s VAL 27 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3inn s VAL 27 CO -0.02 -0.43 0.86 -2.16 0.00 0.00 0.00 175.10 173.35 3inn s PRO 28 N 1.00 4.47 0.19 2.72 0.04 -1.26 -1.51 135.00 140.65 3inn s PRO 28 Ca 0.04 1.16 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 3inn s PRO 28 Cb -0.20 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 3inn s PRO 28 CO -0.06 -0.06 0.13 0.95 0.04 0.00 0.00 177.00 178.00 3inn s THR 29 N 1.14 0.02 -0.24 1.26 -4.23 0.01 -4.92 115.64 108.67 3inn s THR 29 Ca 0.44 -1.95 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 3inn s THR 29 Cb -0.19 -2.40 0.71 0.00 1.34 0.00 0.00 72.50 71.96 3inn s THR 29 CO 0.22 -0.09 1.66 0.23 -0.54 0.00 0.00 174.62 176.09 3inn n MET 30 N -0.24 3.90 0.00 3.99 2.81 -1.26 -1.44 117.12 124.89 3inn n MET 30 Ca 0.00 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 3inn n MET 30 Cb 0.65 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 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 0.01 -1.62 3.46 3.03 0.00 -1.26 -4.58 105.19 104.23 3inn n GLY 31 Ca 0.29 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 3inn n GLY 31 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3inn n TYR 32 N -0.52 -2.33 -2.46 1.61 9.36 -1.26 -4.86 117.16 116.70 3inn n TYR 32 Ca 0.00 0.78 -0.41 0.00 3.32 0.00 0.00 57.90 61.59 3inn n TYR 32 Cb 0.00 -3.61 -0.04 0.00 -0.63 0.00 0.00 39.34 35.06 3inn n TYR 32 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3inn s LEU 33 N -5.31 4.49 0.00 2.98 1.43 -1.26 -4.58 118.68 116.43 3inn s LEU 33 Ca 0.25 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 3inn s LEU 33 Cb -0.07 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.54 3inn s LEU 33 CO 0.82 -0.25 0.02 0.00 0.23 0.00 0.00 176.35 177.17 3inn n HIS 34 N 2.08 1.08 0.17 0.29 1.44 -1.26 -5.01 115.22 114.02 3inn n HIS 34 Ca 0.02 -2.45 0.06 0.00 -2.01 0.00 0.00 57.72 53.34 3inn n HIS 34 Cb 0.45 -0.33 0.53 0.00 0.12 0.00 0.00 29.99 30.76 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 0.16 -0.18 -1.40 -0.00 -1.98 -1.08 116.57 112.10 3inn h LYS 35 Ca -0.41 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.65 60.22 3inn h LYS 35 Cb 1.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 33.44 3inn h LYS 35 CO 0.68 0.17 0.10 0.78 -0.00 0.00 0.00 179.45 181.18 3inn h GLY 36 N 0.33 0.26 0.71 0.07 0.00 -1.92 -1.13 103.07 101.39 3inn h GLY 36 Ca 0.04 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.32 3inn h GLY 36 CO 0.00 0.11 0.46 0.45 0.00 0.00 0.00 176.54 177.56 3inn h HIS 37 N 0.20 0.84 -0.00 5.60 -0.00 -1.61 -2.28 115.15 117.90 3inn h HIS 37 Ca 0.06 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.37 3inn h HIS 37 Cb 0.04 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 3inn h HIS 37 CO -0.05 0.42 -0.44 -0.07 -0.00 0.00 0.00 177.93 177.79 3inn h LEU 38 N 0.84 0.00 -0.63 2.43 3.38 -1.07 -1.78 115.31 118.48 3inn h LEU 38 Ca 0.34 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 3inn h LEU 38 Cb 0.17 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3inn h LEU 38 CO -0.17 0.44 -0.24 -0.08 0.09 0.00 0.00 178.44 178.48 3inn h GLU 39 N 0.00 0.83 -0.56 1.13 4.57 -0.86 -1.30 114.58 118.39 3inn h GLU 39 Ca -0.00 -0.35 0.05 0.00 -1.18 0.00 0.00 59.36 57.88 3inn h GLU 39 Cb 0.78 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.29 3inn h GLU 39 CO 0.06 0.98 0.28 -0.07 -1.18 0.00 0.00 179.01 179.08 3inn h LEU 40 N 0.72 0.40 -0.25 1.64 3.38 -0.98 -0.43 115.31 119.78 3inn h LEU 40 Ca 0.09 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3inn h LEU 40 Cb 0.77 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3inn h LEU 40 CO 0.06 0.27 0.15 0.58 0.09 0.00 0.00 178.44 179.59 3inn h VAL 41 N 0.54 1.10 -0.74 1.22 2.07 -1.27 0.10 116.25 119.27 3inn h VAL 41 Ca 0.25 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3inn h VAL 41 Cb 0.17 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3inn h VAL 41 CO -0.18 0.10 0.48 -0.09 0.02 0.00 0.00 177.57 177.90 3inn h ARG 42 N 0.31 0.94 -0.63 1.57 2.43 -0.98 -1.07 114.38 116.95 3inn h ARG 42 Ca 0.09 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3inn h ARG 42 Cb 0.03 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3inn h ARG 42 CO -0.02 0.62 0.26 0.00 -1.51 0.00 0.00 179.97 179.33 3inn h ARG 43 N 0.97 0.93 -0.49 0.20 2.47 -0.81 -2.55 114.38 115.11 3inn h ARG 43 Ca 0.28 -0.16 0.04 0.00 -1.26 0.00 0.00 59.98 58.88 3inn h ARG 43 Cb -0.07 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.05 3inn h ARG 43 CO -0.08 0.78 0.24 0.00 0.56 0.00 0.00 179.97 181.47 3inn h ALA 44 N 1.11 0.62 -0.13 0.04 0.00 -0.54 -3.03 119.26 117.32 3inn h ALA 44 Ca 0.21 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3inn h ALA 44 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3inn h ALA 44 CO -0.02 -0.12 -0.33 0.00 0.00 0.00 0.00 179.25 178.79 3inn h ARG 45 N 0.47 0.26 -0.94 0.00 3.08 -0.93 -1.62 114.38 114.70 3inn h ARG 45 Ca 0.22 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.26 3inn h ARG 45 Cb 0.14 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 3inn h ARG 45 CO -0.16 0.57 0.61 0.28 -1.07 0.00 0.00 179.97 180.19 3inn h VAL 46 N 0.23 0.99 -0.01 2.04 2.07 -1.34 -3.26 116.25 116.96 3inn h VAL 46 Ca 0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3inn h VAL 46 Cb 0.69 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3inn h VAL 46 CO 0.05 0.18 -0.24 -0.62 0.02 0.00 0.00 177.57 176.96 3inn n GLU 47 N -4.54 1.60 -4.17 1.57 1.02 -0.78 -4.99 120.64 110.35 3inn n GLU 47 Ca 0.16 -0.97 -0.13 0.00 -0.02 0.00 0.00 57.16 56.20 3inn n GLU 47 Cb 0.29 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.73 1.33 0.09 1.62 -0.87 -0.68 -4.98 114.94 109.71 3inn s ASN 48 Ca 0.15 -0.85 -0.12 0.00 -1.57 0.00 0.00 52.86 50.46 3inn s ASN 48 Cb 0.13 0.03 -0.21 0.00 -0.02 0.00 0.00 41.25 41.18 3inn s ASN 48 CO 0.34 -0.32 1.21 0.44 -2.57 0.00 0.00 177.10 176.21 3inn h ASP 49 N 3.44 0.85 -3.81 -1.22 3.32 -1.46 -3.45 116.42 114.10 3inn h ASP 49 Ca -0.36 -0.68 -0.49 0.00 0.02 0.00 0.00 57.03 55.51 3inn h ASP 49 Cb 1.18 -0.26 -0.31 0.00 0.22 0.00 0.00 39.33 40.16 3inn h ASP 49 CO 0.56 1.48 -0.81 -0.69 -1.72 0.00 0.00 179.24 178.06 3inn s VAL 50 N -3.32 1.10 -0.11 -1.35 1.01 -0.55 -4.99 120.40 112.19 3inn s VAL 50 Ca -0.09 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3inn s VAL 50 Cb 0.07 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 3inn s VAL 50 CO 0.91 0.33 -0.22 -0.89 0.00 0.00 0.00 175.10 175.23 3inn s THR 51 N 0.18 2.25 -0.13 3.92 2.01 -1.26 -0.35 115.64 122.26 3inn s THR 51 Ca -0.05 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.03 3inn s THR 51 Cb -0.11 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.53 3inn s THR 51 CO 0.01 0.55 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.07 3inn s LEU 52 N 0.40 2.25 -0.11 4.42 0.20 0.42 -1.83 118.68 124.43 3inn s LEU 52 Ca -0.16 -0.53 -0.02 0.00 0.69 0.00 0.00 54.13 54.11 3inn s LEU 52 Cb -0.17 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 3inn s LEU 52 CO 0.07 0.12 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.53 3inn s VAL 53 N 0.60 4.04 -0.05 1.68 1.01 -0.15 -1.07 120.40 126.45 3inn s VAL 53 Ca -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3inn s VAL 53 Cb -0.16 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3inn s VAL 53 CO 0.03 0.55 0.05 -0.94 0.00 0.00 0.00 175.10 174.79 3inn s SER 54 N -0.33 5.53 -0.23 3.32 1.04 -0.57 -0.74 113.70 121.71 3inn s SER 54 Ca 0.06 0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.67 3inn s SER 54 Cb -0.12 -1.59 0.05 0.00 0.10 0.00 0.00 66.02 64.46 3inn s SER 54 CO 0.02 0.33 -0.09 -0.63 0.98 0.00 0.00 173.24 173.85 3inn s ILE 55 N -1.03 1.80 -0.22 -1.02 1.01 -0.15 -0.81 121.20 120.77 3inn s ILE 55 Ca 0.18 -1.29 -0.08 0.00 0.00 0.00 0.00 60.65 59.45 3inn s ILE 55 Cb -0.12 -1.94 0.10 0.00 0.01 0.00 0.00 42.46 40.51 3inn s ILE 55 CO 0.07 0.02 0.49 0.12 0.00 0.00 0.00 174.94 175.65 3inn s PHE 56 N 1.29 -0.93 -0.60 3.97 5.36 -0.52 -4.05 117.98 122.52 3inn s PHE 56 Ca -0.05 1.73 -0.23 0.00 -0.96 0.00 0.00 56.93 57.42 3inn s PHE 56 Cb -0.18 0.44 0.06 0.00 -0.34 0.00 0.00 43.02 43.00 3inn s PHE 56 CO -0.07 -0.52 0.91 0.08 -1.46 0.00 0.00 175.22 174.17 3inn s VAL 57 N 2.50 4.42 -0.46 3.12 1.01 -1.26 -4.24 120.40 125.48 3inn s VAL 57 Ca -0.04 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 3inn s VAL 57 Cb -0.11 -4.58 0.03 0.00 0.00 0.00 0.00 36.38 31.72 3inn s VAL 57 CO -0.15 -1.24 0.93 0.21 0.00 0.00 0.00 175.10 174.86 3inn s ASN 58 N 3.21 6.50 0.49 3.32 2.47 -1.26 -4.93 114.94 124.74 3inn s ASN 58 Ca 0.25 0.12 0.16 0.00 0.42 0.00 0.00 52.86 53.82 3inn s ASN 58 Cb -0.15 -2.45 1.17 0.00 -1.45 0.00 0.00 41.25 38.37 3inn s ASN 58 CO 0.14 -1.06 2.07 -0.65 -3.72 0.00 0.00 177.10 173.88 3inn h PRO 59 N 9.09 0.00 0.00 0.43 0.11 -1.95 -2.48 132.00 137.20 3inn h PRO 59 Ca -0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 3inn h PRO 59 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3inn h PRO 59 CO 1.03 0.10 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.83 3inn h LEU 60 N 0.00 0.00 -2.94 2.35 3.38 -1.91 -2.01 115.31 114.18 3inn h LEU 60 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3inn h LEU 60 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3inn h LEU 60 CO 0.01 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3inn n GLN 61 N -3.84 3.66 -4.67 1.13 10.64 -0.93 -4.08 117.38 119.28 3inn n GLN 61 Ca -0.03 -2.66 -0.33 0.00 -1.83 0.00 0.00 57.00 52.15 3inn n GLN 61 Cb 0.11 -1.90 -0.14 0.00 -0.86 0.00 0.00 30.24 27.45 3inn n GLN 61 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3inn s PHE 62 N -1.93 2.83 0.85 2.61 0.08 -0.76 -4.85 117.98 116.81 3inn s PHE 62 Ca 0.47 -0.70 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 3inn s PHE 62 Cb 0.31 -1.87 0.10 0.00 -0.57 0.00 0.00 43.02 40.99 3inn s PHE 62 CO 0.22 -0.26 1.10 0.20 -0.10 0.00 0.00 175.22 176.37 3inn s GLY 63 N 0.49 1.62 0.42 4.36 0.00 -1.26 -4.94 107.32 108.00 3inn s GLY 63 Ca -0.09 -0.17 0.22 0.00 0.00 0.00 0.00 44.72 44.68 3inn s GLY 63 CO 0.04 0.29 1.75 0.00 0.00 0.00 0.00 173.10 175.18 3inn h ALA 64 N -1.32 2.40 -0.55 3.20 0.00 -1.97 -2.60 119.26 118.41 3inn h ALA 64 Ca -0.48 0.06 -0.40 0.00 0.00 0.00 0.00 54.91 54.09 3inn h ALA 64 Cb 1.28 0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.79 3inn h ALA 64 CO 0.57 -0.83 -0.80 0.09 0.00 0.00 0.00 179.25 178.28 3inn n ASN 65 N -4.60 3.80 -0.02 0.00 5.03 -1.26 -4.99 115.26 113.21 3inn n ASN 65 Ca 0.27 -3.51 0.00 0.00 0.87 0.00 0.00 54.58 52.21 3inn n ASN 65 Cb 1.00 -0.39 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 3inn n ASN 65 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3inn n GLU 66 N -0.73 3.85 -1.01 3.52 1.02 -0.98 -5.04 120.64 121.26 3inn n GLU 66 Ca 0.34 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.41 3inn n GLU 66 Cb 0.90 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 32.49 3inn n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3inn n ASP 67 N 0.00 2.95 -0.17 1.62 5.75 -1.26 -4.76 116.55 120.68 3inn n ASP 67 Ca 0.00 -3.83 -0.04 0.00 -0.01 0.00 0.00 54.79 50.92 3inn n ASP 67 Cb 0.00 -0.56 0.06 0.00 -1.03 0.00 0.00 41.12 39.59 3inn n ASP 67 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3inn h LEU 68 N 1.28 0.32 -1.43 -2.12 5.85 -1.96 0.10 115.31 117.35 3inn h LEU 68 Ca 0.20 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 3inn h LEU 68 Cb 1.39 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3inn h LEU 68 CO 0.40 0.22 -0.15 1.23 -0.34 0.00 0.00 178.44 179.79 3inn h GLY 69 N 0.46 0.20 -0.78 3.75 0.00 -2.00 -3.08 103.07 101.62 3inn h GLY 69 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3inn h GLY 69 CO -0.19 0.12 -0.46 -0.96 0.00 0.00 0.00 176.54 175.05 3inn n ARG 70 N -4.27 1.39 -1.57 4.80 1.85 -0.92 -5.00 116.66 112.94 3inn n ARG 70 Ca -0.01 -0.81 -0.48 0.00 -1.00 0.00 0.00 57.85 55.55 3inn n ARG 70 Cb 0.27 -1.38 -0.03 0.00 -1.05 0.00 0.00 32.46 30.27 3inn n ARG 70 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 3inn n TYR 71 N -0.21 1.21 -2.25 2.89 9.36 0.31 -4.82 117.16 123.66 3inn n TYR 71 Ca 0.07 0.70 -0.39 0.00 3.32 0.00 0.00 57.90 61.60 3inn n TYR 71 Cb 0.39 -2.26 -0.02 0.00 -0.63 0.00 0.00 39.34 36.83 3inn n TYR 71 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3inn s PRO 72 N -0.72 4.13 -0.04 2.98 0.04 -1.26 -5.02 135.00 135.12 3inn s PRO 72 Ca 0.69 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.65 3inn s PRO 72 Cb -0.82 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 30.96 3inn s PRO 72 CO 0.54 -0.28 0.07 1.03 0.04 0.00 0.00 177.00 178.41 3inn s ARG 73 N -2.14 0.02 -0.47 4.56 0.52 -1.26 -4.45 118.95 115.73 3inn s ARG 73 Ca 0.55 0.23 0.05 0.00 -0.52 0.00 0.00 55.73 56.03 3inn s ARG 73 Cb -0.33 -0.17 0.19 0.00 0.52 0.00 0.00 34.95 35.16 3inn s ARG 73 CO 0.42 -0.14 0.76 0.34 0.02 0.00 0.00 175.30 176.71 3inn s ASP 74 N 0.90 -1.29 0.31 0.23 -1.08 -1.26 -5.02 116.67 109.46 3inn s ASP 74 Ca -0.07 -1.31 0.03 0.00 -0.52 0.00 0.00 52.55 50.68 3inn s ASP 74 Cb -0.10 1.68 0.51 0.00 -1.46 0.00 0.00 42.92 43.55 3inn s ASP 74 CO -0.03 -0.07 1.81 0.25 0.52 0.00 0.00 175.17 177.64 3inn h LEU 75 N 5.36 0.50 -0.41 -1.34 5.85 -1.98 -0.99 115.31 122.30 3inn h LEU 75 Ca 0.05 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3inn h LEU 75 Cb 1.14 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3inn h LEU 75 CO 0.01 0.64 0.23 -0.08 -0.34 0.00 0.00 178.44 178.90 3inn h GLU 76 N 0.48 0.57 -0.30 1.25 4.81 -1.99 0.26 114.58 119.66 3inn h GLU 76 Ca 0.09 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3inn h GLU 76 Cb 0.47 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3inn h GLU 76 CO 0.03 0.46 0.07 -0.09 -0.73 0.00 0.00 179.01 178.74 3inn h ARG 77 N 0.53 0.49 -0.07 1.92 2.43 -1.93 -1.71 114.38 116.03 3inn h ARG 77 Ca 0.14 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3inn h ARG 77 Cb 0.05 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3inn h ARG 77 CO -0.02 0.56 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.54 3inn h ASP 78 N 0.33 -0.06 -0.66 -3.80 3.32 -0.82 -1.78 116.42 112.94 3inn h ASP 78 Ca 0.09 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.24 3inn h ASP 78 Cb 0.29 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 3inn h ASP 78 CO 0.00 -0.02 0.34 0.00 -1.72 0.00 0.00 179.24 177.83 3inn h ALA 79 N 1.06 0.89 -0.52 3.45 0.00 -0.37 -0.77 119.26 123.00 3inn h ALA 79 Ca 0.03 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3inn h ALA 79 Cb 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3inn h ALA 79 CO -0.07 -0.04 0.29 0.78 0.00 0.00 0.00 179.25 180.21 3inn h GLY 80 N 0.60 0.74 1.02 0.00 0.00 -1.03 0.05 103.07 104.44 3inn h GLY 80 Ca 0.31 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3inn h GLY 80 CO -0.23 0.15 0.12 1.41 0.00 0.00 0.00 176.54 177.99 3inn h LEU 81 N 0.56 0.92 -0.65 3.11 3.38 -0.44 -2.51 115.31 119.68 3inn h LEU 81 Ca 0.22 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3inn h LEU 81 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3inn h LEU 81 CO -0.13 0.93 -0.20 -0.07 0.09 0.00 0.00 178.44 179.06 3inn h LEU 82 N 0.87 0.86 -0.23 1.67 3.38 -0.81 -1.22 115.31 119.83 3inn h LEU 82 Ca 0.18 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3inn h LEU 82 Cb 0.39 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3inn h LEU 82 CO 0.01 1.03 -0.15 0.45 0.09 0.00 0.00 178.44 179.87 3inn h HIS 83 N 0.74 -0.38 -0.30 1.13 3.86 -0.95 -1.92 115.15 117.34 3inn h HIS 83 Ca 0.11 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3inn h HIS 83 Cb 0.72 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 3inn h HIS 83 CO 0.04 -0.22 0.14 -0.44 0.86 0.00 0.00 177.93 178.30 3inn h ASP 84 N -0.14 0.36 0.10 2.45 3.32 -1.24 -1.65 116.42 119.62 3inn h ASP 84 Ca 0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3inn h ASP 84 Cb 0.33 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3inn h ASP 84 CO -0.31 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3inn n ALA 85 N -2.49 2.63 -2.62 3.45 0.00 -0.48 -4.91 120.51 116.09 3inn n ALA 85 Ca 0.01 -0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 3inn n ALA 85 Cb 0.12 -1.51 0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.05 -2.80 -2.13 0.00 1.13 -0.62 -4.93 117.38 106.97 3inn n GLN 86 Ca 0.22 0.79 -0.41 0.00 -1.94 0.00 0.00 57.00 55.66 3inn n GLN 86 Cb 0.13 -5.28 -0.02 0.00 0.11 0.00 0.00 30.24 25.18 3inn n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3inn s VAL 87 N -2.97 2.81 -0.02 5.09 1.01 -0.79 -4.91 120.40 120.63 3inn s VAL 87 Ca 0.13 0.77 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 3inn s VAL 87 Cb -0.06 -3.49 -0.33 0.00 0.00 0.00 0.00 36.38 32.50 3inn s VAL 87 CO 0.17 0.16 0.88 0.44 0.00 0.00 0.00 175.10 176.74 3inn h ASP 88 N 4.01 0.64 -3.63 3.32 3.32 -1.71 -3.34 116.42 119.03 3inn h ASP 88 Ca -0.48 -0.93 -0.43 0.00 0.02 0.00 0.00 57.03 55.22 3inn h ASP 88 Cb 1.22 -0.21 -0.32 0.00 0.22 0.00 0.00 39.33 40.24 3inn h ASP 88 CO 0.70 1.60 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.72 3inn s TYR 89 N -2.52 0.91 -0.21 4.55 2.02 -0.79 -0.87 117.35 120.43 3inn s TYR 89 Ca -0.13 -0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3inn s TYR 89 Cb 0.03 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 3inn s TYR 89 CO 0.88 -0.15 -0.09 -1.17 -1.57 0.00 0.00 175.55 173.45 3inn s LEU 90 N 0.51 2.74 -0.37 -1.29 2.96 0.15 -0.98 118.68 122.40 3inn s LEU 90 Ca -0.08 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.16 3inn s LEU 90 Cb -0.11 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 3inn s LEU 90 CO 0.01 -0.03 0.30 0.12 -1.32 0.00 0.00 176.35 175.43 3inn s PHE 91 N 1.41 3.22 -0.52 5.38 5.36 0.09 -0.40 117.98 132.52 3inn s PHE 91 Ca 0.05 -0.28 0.07 0.00 -0.96 0.00 0.00 56.93 55.81 3inn s PHE 91 Cb -0.14 -2.59 0.25 0.00 -0.34 0.00 0.00 43.02 40.19 3inn s PHE 91 CO -0.06 -0.47 0.63 0.00 -1.46 0.00 0.00 175.22 173.86 3inn n ALA 92 N 5.23 3.27 -1.77 11.12 0.00 0.15 -0.98 120.51 137.53 3inn n ALA 92 Ca -0.11 -4.10 -0.32 0.00 0.00 0.00 0.00 53.44 48.91 3inn n ALA 92 Cb 0.49 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.80 3.68 0.73 0.00 0.04 -1.26 -4.63 135.00 131.77 3inn s PRO 93 Ca 0.37 1.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 3inn s PRO 93 Cb 0.15 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.68 3inn s PRO 93 CO -0.06 -0.50 1.05 0.95 0.04 0.00 0.00 177.00 178.47 3inn s THR 94 N -2.60 2.22 0.32 1.26 -4.23 -1.26 -4.84 115.64 106.52 3inn s THR 94 Ca 0.60 -0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.89 3inn s THR 94 Cb -0.12 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.04 3inn s THR 94 CO 0.35 0.00 1.90 0.58 -0.54 0.00 0.00 174.62 176.91 3inn h VAL 95 N -0.71 0.98 -0.09 2.29 2.07 -1.95 -1.68 116.25 117.16 3inn h VAL 95 Ca -0.44 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 3inn h VAL 95 Cb 1.31 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3inn h VAL 95 CO 0.57 0.16 -0.34 0.28 0.02 0.00 0.00 177.57 178.26 3inn h SER 96 N 0.90 0.17 0.54 0.57 0.02 -1.94 0.30 113.55 114.11 3inn h SER 96 Ca 0.41 -0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 61.08 3inn h SER 96 Cb 0.38 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3inn h SER 96 CO -0.17 0.51 -0.95 0.44 -1.14 0.00 0.00 176.83 175.52 3inn h ASP 97 N 0.15 0.35 0.25 3.07 3.32 -1.65 -2.83 116.42 119.07 3inn h ASP 97 Ca 0.02 -0.30 -0.34 0.00 0.02 0.00 0.00 57.03 56.43 3inn h ASP 97 Cb 0.68 -0.11 0.03 0.00 0.22 0.00 0.00 39.33 40.16 3inn h ASP 97 CO 0.05 1.12 -1.55 0.24 -1.72 0.00 0.00 179.24 177.38 3inn h MET 98 N 0.13 0.51 -2.37 3.56 2.86 -1.14 -3.42 114.93 115.06 3inn h MET 98 Ca -0.06 -0.87 -0.59 0.00 -2.06 0.00 0.00 59.70 56.11 3inn h MET 98 Cb 1.60 0.33 -0.41 0.00 0.06 0.00 0.00 31.60 33.18 3inn h MET 98 CO 0.15 1.42 -0.74 0.66 1.06 0.00 0.00 176.91 179.46 3inn n TYR 99 N -3.69 2.20 0.31 -0.22 4.01 0.10 -4.96 117.16 114.92 3inn n TYR 99 Ca -0.19 -3.97 0.19 0.00 -0.16 0.00 0.00 57.90 53.77 3inn n TYR 99 Cb 1.10 -0.44 0.92 0.00 -0.31 0.00 0.00 39.34 40.62 3inn n TYR 99 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3inn h PRO 100 N 4.57 0.00 -4.29 -0.72 0.13 -1.69 -3.42 132.00 126.58 3inn h PRO 100 Ca 0.17 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.15 3inn h PRO 100 Cb 0.76 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.73 3inn h PRO 100 CO 0.68 0.00 -0.69 1.03 -0.23 0.00 0.00 178.00 178.79 3inn s ARG 101 N -3.87 0.62 0.24 0.86 0.52 -1.26 -5.05 118.95 111.02 3inn s ARG 101 Ca -0.02 -1.18 -0.31 0.00 -0.52 0.00 0.00 55.73 53.70 3inn s ARG 101 Cb 0.11 0.12 -0.13 0.00 0.52 0.00 0.00 34.95 35.57 3inn s ARG 101 CO 0.46 -0.09 1.55 -2.30 0.02 0.00 0.00 175.30 174.94 3inn n PRO 102 N 0.24 2.41 -2.00 3.54 -0.02 -1.26 -4.92 135.00 132.99 3inn n PRO 102 Ca -0.15 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3inn n PRO 102 Cb 0.60 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3inn n PRO 102 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3inn s MET 103 N -0.02 4.26 0.00 -0.52 -1.94 -1.26 -4.90 119.30 114.91 3inn s MET 103 Ca 0.69 2.30 0.15 0.00 -1.71 0.00 0.00 55.69 57.12 3inn s MET 103 Cb -0.58 -3.14 -0.14 0.00 2.01 0.00 0.00 34.83 32.99 3inn s MET 103 CO 0.45 -0.48 0.64 1.04 -0.01 0.00 0.00 175.02 176.67 3inn n GLN 104 N 2.97 2.11 -3.89 2.03 6.02 -1.26 -4.99 117.38 120.37 3inn n GLN 104 Ca 0.09 -0.08 -0.36 0.00 -0.01 0.00 0.00 57.00 56.65 3inn n GLN 104 Cb 0.40 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.40 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 -2.33 5.48 -0.02 5.09 2.01 -1.26 -5.11 115.64 119.50 3inn s THR 105 Ca 0.06 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.17 3inn s THR 105 Cb 0.11 -3.45 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 3inn s THR 105 CO 0.58 0.51 -0.09 0.54 -0.69 0.00 0.00 174.62 175.48 3inn s VAL 106 N -1.14 0.74 -0.12 3.82 0.11 -1.26 -5.06 120.40 117.49 3inn s VAL 106 Ca 0.20 -0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 58.88 3inn s VAL 106 Cb -0.12 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 3inn s VAL 106 CO 0.09 0.22 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.30 3inn s VAL 107 N 0.02 3.39 0.05 2.04 1.01 -1.26 -5.04 120.40 120.61 3inn s VAL 107 Ca -0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3inn s VAL 107 Cb -0.06 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3inn s VAL 107 CO 0.00 0.54 0.12 -0.62 0.00 0.00 0.00 175.10 175.14 3inn s ASP 108 N 0.02 0.16 -0.56 3.32 -1.08 -1.26 -3.61 116.67 113.67 3inn s ASP 108 Ca -0.02 -0.55 0.07 0.00 -0.52 0.00 0.00 52.55 51.52 3inn s ASP 108 Cb -0.14 0.25 0.25 0.00 -1.46 0.00 0.00 42.92 41.82 3inn s ASP 108 CO 0.04 -0.56 0.66 0.52 0.52 0.00 0.00 175.17 176.35 3inn n VAL 109 N 0.59 1.30 -0.29 1.11 0.31 -1.26 -5.02 118.33 115.06 3inn n VAL 109 Ca -0.18 -4.79 0.14 0.00 -0.01 0.00 0.00 64.34 59.50 3inn n VAL 109 Cb 0.59 -2.05 0.39 0.00 -0.91 0.00 0.00 33.84 31.86 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 4.19 0.63 0.00 5.55 0.11 -1.98 0.56 132.00 141.06 3inn h PRO 110 Ca 0.16 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 3inn h PRO 110 Cb 0.74 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3inn h PRO 110 CO 0.70 0.42 -0.24 -1.00 -0.21 0.00 0.00 178.00 177.68 3inn h PRO 111 N 0.65 0.00 0.05 1.05 0.13 -1.99 -1.63 132.00 130.26 3inn h PRO 111 Ca 0.48 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.27 3inn h PRO 111 Cb 0.86 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.94 3inn h PRO 111 CO -0.24 0.24 -2.00 1.28 -0.23 0.00 0.00 178.00 177.06 3inn n LEU 112 N -3.69 1.67 0.18 1.56 4.77 -0.69 -4.53 117.00 116.28 3inn n LEU 112 Ca -0.01 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.31 3inn n LEU 112 Cb 0.36 -0.40 0.19 0.00 -2.33 0.00 0.00 43.42 41.24 3inn n LEU 112 CO 0.34 0.64 0.72 1.23 -1.33 0.00 0.00 177.39 178.99 3inn h GLY 113 N 2.50 0.00 0.78 -0.72 0.00 -0.78 -3.24 103.07 101.61 3inn h GLY 113 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3inn h GLY 113 CO 0.06 0.00 -0.25 0.70 0.00 0.00 0.00 176.54 177.05 3inn n ASN 114 N -2.87 0.64 -4.92 0.19 3.02 -0.63 -4.08 115.26 106.61 3inn n ASN 114 Ca 0.04 -0.51 -0.26 0.00 -0.03 0.00 0.00 54.58 53.81 3inn n ASN 114 Cb 0.51 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 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 -2.66 3.36 5.62 3.52 -1.52 -1.23 -3.28 119.66 123.47 3inn s GLN 115 Ca 0.21 -0.02 0.00 0.00 -1.95 0.00 0.00 55.36 53.60 3inn s GLN 115 Cb 0.19 -2.43 0.00 0.00 -0.22 0.00 0.00 33.01 30.55 3inn s GLN 115 CO 0.55 -0.24 0.00 -0.89 -0.25 0.00 0.00 175.29 174.46 3inn n ILE 116 N -2.21 0.00 0.26 1.08 5.41 -1.26 -0.89 119.36 121.75 3inn n ILE 116 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 3inn n ILE 116 Cb 0.56 0.00 0.67 0.00 -0.71 0.00 0.00 39.64 40.16 3inn n ILE 116 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3inn h GLU 117 N 0.00 0.00 0.00 0.38 4.81 -1.92 0.84 114.58 118.69 3inn h GLU 117 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3inn h GLU 117 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3inn h GLU 117 CO 0.00 0.01 -0.08 0.78 -0.73 0.00 0.00 179.01 178.99 3inn h GLY 118 N 0.02 0.00 1.27 1.92 0.00 -1.16 0.11 103.07 105.23 3inn h GLY 118 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 3inn h GLY 118 CO 0.00 0.00 -0.70 0.83 0.00 0.00 0.00 176.54 176.67 3inn h GLU 119 N 0.00 0.73 0.00 4.80 5.08 -0.81 -3.22 114.58 121.15 3inn h GLU 119 Ca -0.00 -0.55 -0.14 0.00 -1.00 0.00 0.00 59.36 57.66 3inn h GLU 119 Cb 0.43 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3inn h GLU 119 CO 0.01 1.17 -0.74 0.00 -1.00 0.00 0.00 179.01 178.45 3inn h ALA 120 N 0.68 0.59 -2.86 3.43 0.00 -1.33 -3.40 119.26 116.38 3inn h ALA 120 Ca -0.03 -0.63 -0.61 0.00 0.00 0.00 0.00 54.91 53.64 3inn h ALA 120 Cb 1.31 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.64 3inn h ALA 120 CO 0.14 0.83 -0.72 1.03 0.00 0.00 0.00 179.25 180.54 3inn s ARG 121 N -2.88 1.85 0.25 0.00 0.52 0.32 -5.10 118.95 113.91 3inn s ARG 121 Ca 0.02 -2.82 -0.31 0.00 -0.52 0.00 0.00 55.73 52.11 3inn s ARG 121 Cb 0.08 -2.69 -0.11 0.00 0.52 0.00 0.00 34.95 32.75 3inn s ARG 121 CO 0.77 -1.30 1.64 -2.14 0.02 0.00 0.00 175.30 174.29 3inn s PRO 122 N -0.79 4.13 0.00 3.54 0.02 -1.22 -1.77 135.00 138.92 3inn s PRO 122 Ca 0.27 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.86 3inn s PRO 122 Cb -0.04 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3inn s PRO 122 CO -0.16 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.25 3inn n GLY 123 N 2.97 2.20 0.25 0.52 0.00 -1.26 -4.91 105.19 104.95 3inn n GLY 123 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 0.66 0.00 1.61 6.17 -1.67 -1.91 115.15 120.01 3inn h HIS 124 Ca 0.00 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.07 3inn h HIS 124 Cb 0.00 -0.21 -0.00 0.00 2.52 0.00 0.00 27.41 29.72 3inn h HIS 124 CO 0.00 0.34 -0.13 0.74 0.71 0.00 0.00 177.93 179.59 3inn h PHE 125 N 0.68 0.00 -0.58 5.26 -1.00 -1.83 -2.18 116.94 117.29 3inn h PHE 125 Ca 0.27 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.94 3inn h PHE 125 Cb 0.12 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 3inn h PHE 125 CO -0.07 0.13 -0.05 0.00 -1.61 0.00 0.00 178.31 176.71 3inn h ALA 126 N 1.87 0.81 -0.52 2.45 0.00 -1.60 -0.92 119.26 121.34 3inn h ALA 126 Ca -0.00 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.64 3inn h ALA 126 Cb 0.99 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3inn h ALA 126 CO 0.02 0.67 0.20 0.78 0.00 0.00 0.00 179.25 180.92 3inn h GLY 127 N 0.97 0.71 0.71 0.00 0.00 -0.95 -0.84 103.07 103.67 3inn h GLY 127 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3inn h GLY 127 CO 0.04 0.03 -0.00 -2.08 0.00 0.00 0.00 176.54 174.53 3inn h VAL 128 N 0.40 1.26 -0.91 4.60 2.07 -1.30 -1.79 116.25 120.58 3inn h VAL 128 Ca 0.25 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 67.02 3inn h VAL 128 Cb 0.25 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3inn h VAL 128 CO -0.23 0.21 0.59 0.00 0.02 0.00 0.00 177.57 178.16 3inn h ALA 129 N 0.70 1.20 0.13 1.67 0.00 -1.12 -0.50 119.26 121.35 3inn h ALA 129 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3inn h ALA 129 Cb 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3inn h ALA 129 CO 0.00 0.43 -0.06 1.15 0.00 0.00 0.00 179.25 180.77 3inn h THR 130 N 1.13 0.99 -0.10 0.00 2.02 -1.13 -0.96 112.91 114.86 3inn h THR 130 Ca 0.37 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 3inn h THR 130 Cb 0.03 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3inn h THR 130 CO -0.13 0.12 -0.49 1.62 0.37 0.00 0.00 175.52 177.01 3inn h VAL 131 N -0.42 1.34 -0.26 3.16 3.04 -1.14 -2.12 116.25 119.86 3inn h VAL 131 Ca -0.02 -1.72 -0.13 0.00 -1.01 0.00 0.00 66.70 63.82 3inn h VAL 131 Cb 0.34 1.81 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3inn h VAL 131 CO 0.03 0.51 -0.34 0.58 -1.01 0.00 0.00 177.57 177.34 3inn h VAL 132 N 0.21 1.31 -0.54 1.51 2.07 -1.08 -0.16 116.25 119.58 3inn h VAL 132 Ca 0.01 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.05 3inn h VAL 132 Cb 0.95 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 3inn h VAL 132 CO 0.08 0.49 0.27 0.28 0.02 0.00 0.00 177.57 178.70 3inn h SER 133 N 0.41 0.37 -0.44 0.57 0.02 -1.08 -1.47 113.55 111.93 3inn h SER 133 Ca 0.03 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3inn h SER 133 Cb 0.93 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 3inn h SER 133 CO 0.08 0.25 0.18 0.50 -1.14 0.00 0.00 176.83 176.70 3inn h LYS 134 N 0.51 0.66 -0.62 3.45 3.64 -1.09 -2.15 116.57 120.96 3inn h LYS 134 Ca 0.24 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3inn h LYS 134 Cb 0.17 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3inn h LYS 134 CO -0.18 0.60 0.26 -0.07 -2.27 0.00 0.00 179.45 177.79 3inn h LEU 135 N 0.57 0.82 -0.63 5.20 3.38 -0.84 0.34 115.31 124.15 3inn h LEU 135 Ca 0.15 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3inn h LEU 135 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3inn h LEU 135 CO -0.01 0.72 -0.13 -0.26 0.09 0.00 0.00 178.44 178.85 3inn h PHE 136 N 0.88 1.06 -0.74 1.13 0.04 -1.14 0.26 116.94 118.43 3inn h PHE 136 Ca 0.21 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3inn h PHE 136 Cb 0.16 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 3inn h PHE 136 CO 0.01 1.01 0.37 -0.91 -0.60 0.00 0.00 178.31 178.18 3inn h ASN 137 N 0.84 0.95 0.03 2.17 2.35 -0.72 0.20 115.58 121.41 3inn h ASN 137 Ca 0.13 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3inn h ASN 137 Cb 0.68 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3inn h ASN 137 CO 0.05 0.81 -0.02 0.40 -1.65 0.00 0.00 177.43 177.02 3inn h ILE 138 N 1.03 1.28 0.10 2.81 2.04 -0.69 -3.35 117.51 120.72 3inn h ILE 138 Ca 0.25 -1.01 -0.27 0.00 1.00 0.00 0.00 64.86 64.83 3inn h ILE 138 Cb 0.10 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3inn h ILE 138 CO -0.03 0.26 -1.28 0.58 0.00 0.00 0.00 178.15 177.67 3inn h VAL 139 N -0.49 1.43 -6.26 1.67 2.07 -0.51 -3.44 116.25 110.73 3inn h VAL 139 Ca -0.00 -3.05 -0.45 0.00 0.82 0.00 0.00 66.70 64.02 3inn h VAL 139 Cb 0.45 2.87 0.04 0.00 -1.52 0.00 0.00 31.29 33.13 3inn h VAL 139 CO 0.01 0.88 -0.90 0.61 0.02 0.00 0.00 177.57 178.18 3inn n GLY 140 N 1.53 -0.65 3.89 2.17 0.00 0.71 -4.96 105.19 107.88 3inn n GLY 140 Ca -0.09 0.31 -0.30 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 -6.11 3.02 0.07 1.61 0.04 -1.26 -4.93 135.00 127.43 3inn s PRO 141 Ca 0.25 0.44 -0.02 0.00 0.04 0.00 0.00 61.00 61.71 3inn s PRO 141 Cb -0.09 -2.08 -0.27 0.00 0.04 0.00 0.00 34.50 32.10 3inn s PRO 141 CO 0.86 -0.88 1.10 -0.44 0.04 0.00 0.00 177.00 177.68 3inn h ASP 142 N -0.50 0.35 -4.87 6.66 3.32 -1.33 -3.42 116.42 116.62 3inn h ASP 142 Ca -0.45 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.07 3inn h ASP 142 Cb 1.24 -0.11 -0.21 0.00 0.22 0.00 0.00 39.33 40.47 3inn h ASP 142 CO 0.63 1.31 -0.44 0.00 -1.72 0.00 0.00 179.24 179.02 3inn s ALA 143 N -2.66 -0.45 0.03 3.45 0.00 -1.10 -1.22 121.76 119.82 3inn s ALA 143 Ca -0.04 0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.99 3inn s ALA 143 Cb 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 3inn s ALA 143 CO 0.87 -0.21 -0.12 0.00 0.00 0.00 0.00 175.76 176.30 3inn s ALA 144 N -1.24 1.01 -0.14 0.00 0.00 0.22 -0.85 121.76 120.76 3inn s ALA 144 Ca -0.13 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.11 3inn s ALA 144 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3inn s ALA 144 CO 0.02 0.18 -0.19 0.71 0.00 0.00 0.00 175.76 176.49 3inn s TYR 145 N -0.80 2.71 0.02 0.00 1.51 -0.21 -0.56 117.35 120.02 3inn s TYR 145 Ca 0.00 -1.07 0.04 0.00 -1.01 0.00 0.00 57.07 55.03 3inn s TYR 145 Cb -0.07 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 3inn s TYR 145 CO 0.01 -0.47 -0.12 -0.06 -1.11 0.00 0.00 175.55 173.80 3inn s PHE 146 N 0.66 1.04 0.20 2.71 0.08 -0.11 -4.41 117.98 118.15 3inn s PHE 146 Ca -0.09 -0.29 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 3inn s PHE 146 Cb -0.16 -0.64 -0.08 0.00 -0.57 0.00 0.00 43.02 41.57 3inn s PHE 146 CO 0.02 0.00 0.97 0.20 -0.10 0.00 0.00 175.22 176.31 3inn s GLY 147 N -0.82 3.06 0.00 4.36 0.00 -1.26 -0.44 107.32 112.22 3inn s GLY 147 Ca 0.01 0.64 0.20 0.00 0.00 0.00 0.00 44.72 45.57 3inn s GLY 147 CO 0.01 1.33 1.64 1.18 0.00 0.00 0.00 173.10 177.26 3inn n GLU 148 N 1.96 0.02 -0.21 2.90 1.02 0.66 -2.85 120.64 124.14 3inn n GLU 148 Ca -0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3inn n GLU 148 Cb 0.47 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.97 -3.59 3.49 3.64 -1.91 -2.50 116.57 116.67 3inn h LYS 149 Ca 0.00 -0.07 -0.78 0.00 -1.27 0.00 0.00 60.65 58.54 3inn h LYS 149 Cb 0.33 -0.21 -0.22 0.00 -0.41 0.00 0.00 32.23 31.72 3inn h LYS 149 CO 0.00 0.65 1.27 -0.25 -2.27 0.00 0.00 179.45 178.86 3inn n ASP 150 N -4.41 5.59 0.19 4.20 8.00 -1.13 -4.55 116.55 124.43 3inn n ASP 150 Ca 0.08 -3.16 -0.14 0.00 0.71 0.00 0.00 54.79 52.27 3inn n ASP 150 Cb 0.04 -1.42 -0.08 0.00 -0.02 0.00 0.00 41.12 39.64 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 6.07 -0.41 -0.91 1.24 3.57 -1.67 -1.71 116.94 123.12 3inn h PHE 151 Ca 0.29 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.87 3inn h PHE 151 Cb 0.71 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 3inn h PHE 151 CO 1.07 -0.17 0.56 0.37 -2.23 0.00 0.00 178.31 177.91 3inn h GLN 152 N -0.59 0.91 -0.62 1.11 4.15 -1.88 -1.27 115.11 116.92 3inn h GLN 152 Ca -0.05 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.35 3inn h GLN 152 Cb 0.43 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 3inn h GLN 152 CO 0.07 0.60 0.37 0.37 -1.93 0.00 0.00 178.83 178.32 3inn h GLN 153 N 0.93 0.71 -0.56 1.69 4.15 -1.83 -0.49 115.11 119.71 3inn h GLN 153 Ca 0.43 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.79 3inn h GLN 153 Cb 0.35 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 3inn h GLN 153 CO -0.23 0.47 0.29 1.25 -1.93 0.00 0.00 178.83 178.67 3inn h LEU 154 N 0.73 0.72 -0.69 -2.39 5.85 -0.42 0.55 115.31 119.66 3inn h LEU 154 Ca 0.26 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3inn h LEU 154 Cb 0.05 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3inn h LEU 154 CO -0.12 0.62 0.44 0.58 -0.34 0.00 0.00 178.44 179.62 3inn h VAL 155 N 0.75 1.19 -0.15 1.05 2.07 -0.70 -0.44 116.25 120.02 3inn h VAL 155 Ca 0.19 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3inn h VAL 155 Cb 0.08 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3inn h VAL 155 CO -0.03 0.18 0.03 0.40 0.02 0.00 0.00 177.57 178.18 3inn h ILE 156 N 0.93 1.21 -0.89 4.57 2.04 -0.73 -1.66 117.51 122.98 3inn h ILE 156 Ca 0.25 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3inn h ILE 156 Cb -0.08 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3inn h ILE 156 CO -0.05 0.20 0.47 0.40 0.00 0.00 0.00 178.15 179.17 3inn h ILE 157 N 0.04 1.26 -0.46 -0.67 2.04 -0.60 0.94 117.51 120.06 3inn h ILE 157 Ca 0.05 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3inn h ILE 157 Cb 0.29 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3inn h ILE 157 CO 0.00 0.30 0.22 0.03 0.00 0.00 0.00 178.15 178.70 3inn h ARG 158 N 1.25 0.66 -0.44 2.37 3.08 -1.00 -0.88 114.38 119.43 3inn h ARG 158 Ca 0.31 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 3inn h ARG 158 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3inn h ARG 158 CO -0.05 0.57 0.16 -0.09 -1.07 0.00 0.00 179.97 179.49 3inn h ARG 159 N 0.59 0.66 -0.93 0.04 9.65 -0.93 -1.45 114.38 122.01 3inn h ARG 159 Ca 0.16 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 3inn h ARG 159 Cb 0.13 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.55 3inn h ARG 159 CO -0.02 0.63 0.61 1.98 2.80 0.00 0.00 179.97 185.97 3inn h MET 160 N 0.56 1.16 -0.24 0.20 4.05 -0.66 0.62 114.93 120.62 3inn h MET 160 Ca 0.14 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 3inn h MET 160 Cb 0.22 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3inn h MET 160 CO -0.01 0.77 0.02 0.28 0.23 0.00 0.00 176.91 178.20 3inn h VAL 161 N 1.20 1.24 0.30 -5.77 2.07 -0.94 -0.36 116.25 113.98 3inn h VAL 161 Ca 0.36 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3inn h VAL 161 Cb -0.04 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3inn h VAL 161 CO -0.11 0.26 -0.14 -0.78 0.02 0.00 0.00 177.57 176.83 3inn h ASP 162 N 0.21 -0.34 -0.76 0.57 3.58 -1.02 -1.65 116.42 117.01 3inn h ASP 162 Ca 0.07 -0.15 0.13 0.00 0.42 0.00 0.00 57.03 57.51 3inn h ASP 162 Cb 0.37 0.09 -0.09 0.00 1.72 0.00 0.00 39.33 41.42 3inn h ASP 162 CO 0.01 -0.03 0.33 0.44 -2.88 0.00 0.00 179.24 177.11 3inn h ASP 163 N -0.66 0.35 -0.42 2.28 3.32 -0.89 -2.53 116.42 117.87 3inn h ASP 163 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3inn h ASP 163 Cb 0.47 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3inn h ASP 163 CO 0.07 0.15 0.00 0.23 -1.72 0.00 0.00 179.24 177.97 3inn n MET 164 N -4.96 2.29 -4.05 3.56 2.81 -0.15 -4.93 117.12 111.70 3inn n MET 164 Ca 0.14 -1.98 -0.33 0.00 -1.81 0.00 0.00 57.70 53.72 3inn n MET 164 Cb 0.39 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 1.15 -1.28 -2.38 3.04 0.00 -0.75 -4.92 120.51 115.37 3inn n ALA 165 Ca 0.19 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 3inn n ALA 165 Cb 0.51 -4.05 -0.03 0.00 0.00 0.00 0.00 19.45 15.88 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 -3.30 4.05 -1.38 0.00 1.01 -0.70 -4.91 121.20 115.97 3inn s ILE 166 Ca 0.69 1.41 -0.09 0.00 0.00 0.00 0.00 60.65 62.67 3inn s ILE 166 Cb -0.36 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.29 3inn s ILE 166 CO 0.87 0.02 2.30 -0.81 0.00 0.00 0.00 174.94 177.32 3inn n PRO 167 N 5.01 3.85 -4.38 2.79 -0.04 -1.26 -4.83 135.00 136.15 3inn n PRO 167 Ca 0.11 -3.13 -0.21 0.00 -0.04 0.00 0.00 63.50 60.23 3inn n PRO 167 Cb 0.45 -2.86 -0.16 0.00 -0.04 0.00 0.00 33.50 30.90 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 0.60 0.80 -0.06 0.52 1.01 -1.26 -4.77 120.40 117.23 3inn s VAL 168 Ca 0.51 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 3inn s VAL 168 Cb 0.15 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3inn s VAL 168 CO -0.05 0.27 1.09 -0.60 0.00 0.00 0.00 175.10 175.80 3inn s ARG 169 N 0.56 4.41 -0.26 2.72 3.52 -0.36 -4.91 118.95 124.63 3inn s ARG 169 Ca -0.09 1.52 -0.11 0.00 -0.13 0.00 0.00 55.73 56.91 3inn s ARG 169 Cb -0.13 -3.52 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 3inn s ARG 169 CO 0.01 -0.33 0.20 0.42 -0.81 0.00 0.00 175.30 174.79 3inn s ILE 170 N 1.90 5.32 -0.19 4.11 -1.09 -1.26 -0.61 121.20 129.38 3inn s ILE 170 Ca 0.52 0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 59.14 3inn s ILE 170 Cb -0.22 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3inn s ILE 170 CO 0.21 0.28 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.44 3inn s VAL 171 N 1.47 3.20 -0.00 2.92 1.01 0.28 -4.97 120.40 124.31 3inn s VAL 171 Ca 0.08 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 3inn s VAL 171 Cb -0.15 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3inn s VAL 171 CO 0.08 0.46 0.67 -0.83 0.00 0.00 0.00 175.10 175.49 3inn s GLY 172 N 1.14 2.67 -0.12 4.51 0.00 -1.26 -0.93 107.32 113.33 3inn s GLY 172 Ca 0.01 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.88 3inn s GLY 172 CO -0.02 0.96 -0.18 0.14 0.00 0.00 0.00 173.10 173.99 3inn s VAL 173 N 0.07 2.55 0.32 1.40 1.01 0.42 -4.92 120.40 121.24 3inn s VAL 173 Ca 0.35 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 3inn s VAL 173 Cb -0.19 -2.03 -0.13 0.00 0.00 0.00 0.00 36.38 34.03 3inn s VAL 173 CO 0.19 0.54 1.17 1.21 0.00 0.00 0.00 175.10 178.21 3inn n GLU 174 N 3.55 1.78 -1.67 2.72 2.13 -1.26 -0.25 120.64 127.65 3inn n GLU 174 Ca -0.19 0.63 -0.50 0.00 0.66 0.00 0.00 57.16 57.76 3inn n GLU 174 Cb 0.53 -2.12 -0.05 0.00 0.27 0.00 0.00 31.44 30.07 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 0.33 0.25 -3.42 6.31 -1.04 -1.26 -4.76 114.28 110.69 3inn n THR 175 Ca 0.07 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.66 3inn n THR 175 Cb 0.34 -1.47 -0.06 0.00 -1.82 0.00 0.00 70.33 67.32 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 2.35 5.06 0.13 12.58 1.01 -1.26 -5.03 120.40 135.24 3inn s VAL 176 Ca 0.88 0.90 0.09 0.00 0.00 0.00 0.00 61.98 63.85 3inn s VAL 176 Cb -0.80 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 3inn s VAL 176 CO 0.49 0.48 -0.22 -0.13 0.00 0.00 0.00 175.10 175.72 3inn s ARG 177 N -0.44 1.25 0.90 2.72 0.52 -1.26 -0.74 118.95 121.89 3inn s ARG 177 Ca 0.25 -1.29 -0.13 0.00 -0.52 0.00 0.00 55.73 54.04 3inn s ARG 177 Cb -0.16 -1.51 0.13 0.00 0.52 0.00 0.00 34.95 33.93 3inn s ARG 177 CO 0.12 0.34 1.17 -1.21 0.02 0.00 0.00 175.30 175.75 3inn s GLU 178 N -2.22 1.25 0.51 3.54 2.02 0.24 -4.85 118.70 119.20 3inn s GLU 178 Ca 0.11 0.12 0.17 0.00 0.02 0.00 0.00 54.97 55.39 3inn s GLU 178 Cb -0.09 -1.87 1.25 0.00 0.10 0.00 0.00 34.13 33.52 3inn s GLU 178 CO 0.06 -2.09 2.11 0.38 0.02 0.00 0.00 175.26 175.74 3inn h ASP 179 N -1.41 0.05 -0.42 -0.19 3.04 -2.01 0.06 116.42 115.53 3inn h ASP 179 Ca -0.48 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 3inn h ASP 179 Cb 1.32 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 3inn h ASP 179 CO 0.59 0.04 0.00 -0.90 -2.04 0.00 0.00 179.24 176.93 3inn n ASP 180 N -4.51 2.44 0.00 4.15 5.75 -1.26 -4.93 116.55 118.19 3inn n ASP 180 Ca -0.00 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 3inn n ASP 180 Cb 0.17 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 1.11 0.86 3.70 6.12 0.00 0.01 -4.96 105.19 112.02 3inn n GLY 181 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 0.24 0.99 2.96 -1.26 -4.64 118.68 121.35 3inn s LEU 182 Ca 0.00 2.68 -0.32 0.00 -0.22 0.00 0.00 54.13 56.27 3inn s LEU 182 Cb 0.00 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.99 3inn s LEU 182 CO 0.00 -0.95 1.57 0.00 -1.32 0.00 0.00 176.35 175.65 3inn n ALA 183 N 5.31 2.02 -1.82 5.97 0.00 -1.26 -0.59 120.51 130.13 3inn n ALA 183 Ca 0.17 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.59 3inn n ALA 183 Cb 0.39 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 3inn n ALA 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3inn s SER 185 N 0.42 -0.74 0.45 0.00 0.15 -1.26 -4.95 113.70 107.77 3inn s SER 185 Ca 0.61 1.35 0.11 0.00 0.70 0.00 0.00 55.95 58.72 3inn s SER 185 Cb -0.45 1.35 1.02 0.00 -1.71 0.00 0.00 66.02 66.23 3inn s SER 185 CO 0.46 -0.23 2.08 0.28 1.20 0.00 0.00 173.24 177.04 3inn h SER 186 N 5.37 0.29 0.47 5.45 0.02 -1.90 -0.18 113.55 123.07 3inn h SER 186 Ca -0.29 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3inn h SER 186 Cb 1.18 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3inn h SER 186 CO 0.09 0.21 0.00 0.54 -1.14 0.00 0.00 176.83 176.53 3inn n ARG 187 N -4.50 0.06 0.29 3.45 1.74 -1.26 -2.76 116.66 113.69 3inn n ARG 187 Ca 0.02 0.36 0.16 0.00 -0.77 0.00 0.00 57.85 57.61 3inn n ARG 187 Cb 0.10 -1.63 0.93 0.00 -1.02 0.00 0.00 32.46 30.83 3inn n ARG 187 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3inn h ASN 188 N 0.00 0.00 0.24 0.55 2.35 -1.40 -1.26 115.58 116.06 3inn h ASN 188 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3inn h ASN 188 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3inn h ASN 188 CO 0.00 0.00 -0.07 1.62 -1.65 0.00 0.00 177.43 177.33 3inn h VAL 189 N 0.00 0.51 0.00 2.81 3.04 -1.71 -1.14 116.25 119.76 3inn h VAL 189 Ca 0.01 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.35 3inn h VAL 189 Cb 0.05 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 3inn h VAL 189 CO -0.00 0.07 -0.11 1.88 -1.01 0.00 0.00 177.57 178.40 3inn h TYR 190 N 0.00 0.00 -2.94 3.17 0.05 -1.47 -3.44 116.97 112.33 3inn h TYR 190 Ca -0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.23 3inn h TYR 190 Cb 0.21 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 3inn h TYR 190 CO 0.00 0.11 0.81 -0.51 -1.05 0.00 0.00 178.16 177.51 3inn s LEU 191 N -7.64 4.31 0.92 3.88 1.43 -0.43 -4.98 118.68 116.17 3inn s LEU 191 Ca -0.03 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 3inn s LEU 191 Cb 0.14 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.94 3inn s LEU 191 CO 0.60 -0.69 1.09 0.42 0.23 0.00 0.00 176.35 178.00 3inn s THR 192 N 2.33 2.56 0.21 5.49 -4.23 -1.26 -4.67 115.64 116.08 3inn s THR 192 Ca 0.62 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 61.22 3inn s THR 192 Cb -0.30 -2.59 0.16 0.00 1.34 0.00 0.00 72.50 71.11 3inn s THR 192 CO 0.26 -0.24 1.71 -0.65 -0.54 0.00 0.00 174.62 175.16 3inn h PRO 193 N -1.67 0.26 -0.30 3.99 0.11 -1.99 0.06 132.00 132.46 3inn h PRO 193 Ca -0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 3inn h PRO 193 Cb 1.29 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3inn h PRO 193 CO 0.53 0.18 -0.16 1.05 -0.21 0.00 0.00 178.00 179.39 3inn h GLU 194 N 0.27 0.53 -0.52 1.05 4.11 -2.00 -1.84 114.58 116.19 3inn h GLU 194 Ca 0.32 -0.17 -0.12 0.00 0.07 0.00 0.00 59.36 59.46 3inn h GLU 194 Cb 0.47 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3inn h GLU 194 CO -0.40 0.68 -0.14 1.96 0.07 0.00 0.00 179.01 181.18 3inn h GLN 195 N 0.49 1.00 -0.40 1.06 4.20 -1.73 -1.77 115.11 117.96 3inn h GLN 195 Ca 0.08 -0.38 -0.07 0.00 0.06 0.00 0.00 58.65 58.35 3inn h GLN 195 Cb 0.56 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3inn h GLN 195 CO 0.04 1.06 -0.03 -0.09 -0.67 0.00 0.00 178.83 179.13 3inn h ARG 196 N 0.88 0.66 -0.33 1.46 9.65 -0.75 1.00 114.38 126.95 3inn h ARG 196 Ca 0.13 -0.17 -0.16 0.00 -1.10 0.00 0.00 59.98 58.68 3inn h ARG 196 Cb 0.70 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3inn h ARG 196 CO 0.05 0.70 -0.42 -0.09 2.80 0.00 0.00 179.97 183.01 3inn h ARG 197 N 0.61 0.87 -0.27 0.20 2.43 -1.14 -3.12 114.38 113.96 3inn h ARG 197 Ca 0.12 -0.49 -0.06 0.00 -0.81 0.00 0.00 59.98 58.73 3inn h ARG 197 Cb 0.43 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3inn h ARG 197 CO 0.02 1.14 -0.11 0.00 -1.51 0.00 0.00 179.97 179.51 3inn h ALA 198 N 0.72 1.31 -0.05 2.80 0.00 -0.76 -3.23 119.26 120.06 3inn h ALA 198 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3inn h ALA 198 Cb 1.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3inn h ALA 198 CO 0.10 0.46 0.12 0.00 0.00 0.00 0.00 179.25 179.93 3inn h ALA 199 N 1.47 1.34 0.00 0.00 0.00 -0.75 -1.92 119.26 119.40 3inn h ALA 199 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3inn h ALA 199 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3inn h ALA 199 CO 0.03 -0.15 0.03 0.97 0.00 0.00 0.00 179.25 180.13 3inn h ILE 200 N 0.00 0.00 0.00 0.00 2.10 -1.69 -2.08 117.51 115.83 3inn h ILE 200 Ca 0.02 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.94 3inn h ILE 200 Cb 0.27 0.49 -0.00 0.00 -1.09 0.00 0.00 36.82 36.48 3inn h ILE 200 CO -0.00 0.00 -0.09 -0.29 -1.08 0.00 0.00 178.15 176.69 3inn h ILE 201 N 0.00 0.97 0.74 2.19 6.09 -1.62 -2.14 117.51 123.73 3inn h ILE 201 Ca 0.00 -0.33 -0.04 0.00 -1.37 0.00 0.00 64.86 63.12 3inn h ILE 201 Cb 0.06 1.18 0.01 0.00 0.47 0.00 0.00 36.82 38.54 3inn h ILE 201 CO 0.00 0.09 -0.35 0.58 -3.07 0.00 0.00 178.15 175.40 3inn h VAL 202 N 0.00 0.00 -0.41 2.19 2.07 -1.63 0.12 116.25 118.60 3inn h VAL 202 Ca -0.00 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3inn h VAL 202 Cb 0.18 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 3inn h VAL 202 CO 0.01 0.00 0.22 1.55 0.02 0.00 0.00 177.57 179.37 3inn h PRO 203 N -1.24 0.55 -0.82 1.57 0.13 -1.75 -1.80 132.00 128.64 3inn h PRO 203 Ca -0.10 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3inn h PRO 203 Cb 0.76 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.73 3inn h PRO 203 CO 0.17 0.42 0.54 1.96 -0.23 0.00 0.00 178.00 180.85 3inn h GLN 204 N 0.56 1.06 -0.43 0.86 4.20 -1.35 -1.54 115.11 118.47 3inn h GLN 204 Ca 0.15 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 3inn h GLN 204 Cb 0.03 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3inn h GLN 204 CO -0.02 0.70 -0.10 0.00 -0.67 0.00 0.00 178.83 178.74 3inn h ALA 205 N 1.50 1.03 -0.42 3.87 0.00 -0.08 -1.52 119.26 123.63 3inn h ALA 205 Ca 0.30 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3inn h ALA 205 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3inn h ALA 205 CO -0.07 0.59 -0.26 -0.07 0.00 0.00 0.00 179.25 179.44 3inn h LEU 206 N 0.69 0.96 -0.51 0.00 3.38 -1.18 -0.27 115.31 118.38 3inn h LEU 206 Ca 0.12 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.77 3inn h LEU 206 Cb 0.57 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 3inn h LEU 206 CO 0.03 1.17 -0.11 0.44 0.09 0.00 0.00 178.44 180.07 3inn h ASP 207 N 0.75 -0.44 -0.73 -0.43 3.32 -1.13 -0.77 116.42 116.99 3inn h ASP 207 Ca 0.09 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3inn h ASP 207 Cb 0.83 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 3inn h ASP 207 CO 0.07 -0.16 0.38 -0.08 -1.72 0.00 0.00 179.24 177.74 3inn h GLU 208 N 0.01 1.03 -0.13 3.56 4.57 -1.16 -0.31 114.58 122.16 3inn h GLU 208 Ca 0.25 -0.13 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3inn h GLU 208 Cb 0.38 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3inn h GLU 208 CO -0.51 0.78 -0.05 0.00 -1.18 0.00 0.00 179.01 178.05 3inn h ALA 209 N 1.19 0.06 -0.56 2.92 0.00 -0.65 0.24 119.26 122.46 3inn h ALA 209 Ca 0.25 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.29 3inn h ALA 209 Cb 0.07 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3inn h ALA 209 CO -0.04 -0.51 0.23 0.22 0.00 0.00 0.00 179.25 179.16 3inn h ASP 210 N -0.04 0.27 -0.56 0.00 3.58 -0.91 -0.46 116.42 118.29 3inn h ASP 210 Ca 0.07 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.59 3inn h ASP 210 Cb 0.14 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3inn h ASP 210 CO -0.15 0.18 0.36 -0.09 -2.88 0.00 0.00 179.24 176.66 3inn h ARG 211 N 0.44 0.71 -0.31 0.28 2.43 -0.40 -0.53 114.38 116.99 3inn h ARG 211 Ca 0.27 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 3inn h ARG 211 Cb 0.27 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3inn h ARG 211 CO -0.24 0.47 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.35 3inn h LEU 212 N 0.73 0.77 -0.33 3.80 3.38 -0.43 -1.99 115.31 121.24 3inn h LEU 212 Ca 0.22 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3inn h LEU 212 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3inn h LEU 212 CO -0.07 1.06 0.14 0.22 0.09 0.00 0.00 178.44 179.88 3inn h TYR 213 N 0.48 0.25 0.00 1.13 3.20 -0.90 -2.27 116.97 118.86 3inn h TYR 213 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3inn h TYR 213 Cb 0.82 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 3inn h TYR 213 CO 0.07 0.12 -0.04 0.00 -1.64 0.00 0.00 178.16 176.68 3inn h ARG 214 N 0.29 0.00 0.00 1.82 3.08 -0.87 -1.05 114.38 117.65 3inn h ARG 214 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3inn h ARG 214 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3inn h ARG 214 CO -0.12 0.04 0.00 -1.13 -1.07 0.00 0.00 179.97 177.68 3inn n SER 215 N -4.46 0.06 0.00 7.04 3.41 -0.77 -4.90 113.62 114.00 3inn n SER 215 Ca -0.03 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3inn n SER 215 Cb 0.12 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 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 0.48 0.80 3.64 5.00 0.00 -0.40 -5.07 105.19 109.65 3inn n GLY 216 Ca 0.05 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.47 1.64 -0.00 1.61 0.00 -1.03 -4.87 117.12 113.01 3inn n MET 217 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 57.70 58.29 3inn n MET 217 Cb 0.00 -2.31 -0.00 0.00 0.00 0.00 0.00 33.22 30.91 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 3.46 0.13 -4.55 6.12 2.03 -1.26 -4.47 116.55 118.01 3inn n ASP 218 Ca 0.19 -0.50 -0.39 0.00 0.52 0.00 0.00 54.79 54.61 3inn n ASP 218 Cb 0.23 1.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.53 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 -1.06 6.04 0.31 1.67 -1.08 -1.26 -1.23 116.67 120.07 3inn s ASP 219 Ca 0.00 -0.26 -0.00 0.00 -0.52 0.00 0.00 52.55 51.77 3inn s ASP 219 Cb 0.00 -2.13 0.51 0.00 -1.46 0.00 0.00 42.92 39.85 3inn s ASP 219 CO 0.02 -0.16 1.97 -0.65 0.52 0.00 0.00 175.17 176.86 3inn h PRO 220 N 8.44 1.00 -0.61 4.34 0.11 -1.88 -1.45 132.00 141.97 3inn h PRO 220 Ca -0.33 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 3inn h PRO 220 Cb 1.17 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3inn h PRO 220 CO 0.60 0.66 0.13 -0.44 -0.21 0.00 0.00 178.00 178.74 3inn h ASP 221 N 1.03 0.94 -0.38 -2.05 3.32 -1.94 -1.10 116.42 116.24 3inn h ASP 221 Ca 0.31 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3inn h ASP 221 Cb -0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3inn h ASP 221 CO -0.08 0.94 0.04 0.00 -1.72 0.00 0.00 179.24 178.42 3inn h ALA 222 N 1.03 0.51 -0.33 3.45 0.00 -1.89 -0.18 119.26 121.85 3inn h ALA 222 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3inn h ALA 222 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3inn h ALA 222 CO 0.01 0.24 0.22 1.25 0.00 0.00 0.00 179.25 180.96 3inn h LEU 223 N 0.48 0.38 -0.73 0.00 5.85 -1.09 -0.52 115.31 119.67 3inn h LEU 223 Ca 0.11 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3inn h LEU 223 Cb 0.40 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3inn h LEU 223 CO 0.01 0.28 0.47 -0.08 -0.34 0.00 0.00 178.44 178.78 3inn h GLU 224 N 0.45 0.90 -0.45 1.25 4.81 -1.07 -1.27 114.58 119.19 3inn h GLU 224 Ca 0.12 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 3inn h GLU 224 Cb -0.05 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3inn h GLU 224 CO -0.03 0.60 -0.15 0.00 -0.73 0.00 0.00 179.01 178.70 3inn h ALA 225 N 1.30 0.63 -0.52 2.92 0.00 -0.71 -0.54 119.26 122.33 3inn h ALA 225 Ca 0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3inn h ALA 225 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3inn h ALA 225 CO -0.09 0.56 0.24 0.00 0.00 0.00 0.00 179.25 179.96 3inn h ALA 226 N 0.86 0.67 -0.58 0.00 0.00 -0.90 -1.77 119.26 117.54 3inn h ALA 226 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3inn h ALA 226 Cb 0.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3inn h ALA 226 CO 0.05 0.25 0.19 0.82 0.00 0.00 0.00 179.25 180.56 3inn h ILE 227 N 0.69 1.24 -0.18 0.00 2.04 -0.99 -0.47 117.51 119.84 3inn h ILE 227 Ca 0.18 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.26 3inn h ILE 227 Cb 0.14 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3inn h ILE 227 CO -0.02 0.30 0.03 -0.09 0.00 0.00 0.00 178.15 178.37 3inn h ARG 228 N 0.82 0.10 -0.68 2.37 2.43 -0.97 -0.64 114.38 117.81 3inn h ARG 228 Ca 0.19 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3inn h ARG 228 Cb 0.28 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3inn h ARG 228 CO -0.01 0.06 0.29 1.15 -1.51 0.00 0.00 179.97 179.95 3inn h THR 229 N 0.10 1.24 -0.26 0.20 2.02 -1.13 -0.24 112.91 114.84 3inn h THR 229 Ca 0.08 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3inn h THR 229 Cb 0.08 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3inn h THR 229 CO -0.11 0.29 0.17 0.15 0.37 0.00 0.00 175.52 176.39 3inn h PHE 230 N 0.96 0.33 -0.65 3.16 3.57 -0.65 -2.92 116.94 120.72 3inn h PHE 230 Ca 0.23 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3inn h PHE 230 Cb 0.18 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3inn h PHE 230 CO 0.01 0.22 0.16 0.82 -2.23 0.00 0.00 178.31 177.28 3inn h ILE 231 N 0.35 1.26 0.00 1.41 2.04 -0.95 -3.08 117.51 118.54 3inn h ILE 231 Ca 0.09 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3inn h ILE 231 Cb -0.03 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3inn h ILE 231 CO -0.02 0.36 0.08 1.23 0.00 0.00 0.00 178.15 179.80 3inn h GLY 232 N 0.97 0.00 1.97 5.37 0.00 -0.86 -0.22 103.07 110.30 3inn h GLY 232 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3inn h GLY 232 CO 0.00 0.00 0.01 3.21 0.00 0.00 0.00 176.54 179.77 3inn h ARG 233 N 0.00 0.00 -4.26 4.80 3.08 -1.42 -3.36 114.38 113.22 3inn h ARG 233 Ca 0.00 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.31 3inn h ARG 233 Cb 0.16 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.95 3inn h ARG 233 CO 0.00 0.00 -0.34 -1.14 -1.07 0.00 0.00 179.97 177.42 3inn s GLN 234 N -4.20 2.77 0.54 0.04 2.00 -0.09 -4.98 119.66 115.73 3inn s GLN 234 Ca -0.05 -1.61 0.26 0.00 -2.00 0.00 0.00 55.36 51.96 3inn s GLN 234 Cb 0.13 -4.06 1.55 0.00 0.80 0.00 0.00 33.01 31.43 3inn s GLN 234 CO 0.42 -1.16 2.15 -1.00 -0.50 0.00 0.00 175.29 175.20 3inn h PRO 235 N 8.65 0.00 0.00 1.67 0.13 -1.83 -0.71 132.00 139.91 3inn h PRO 235 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3inn h PRO 235 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3inn h PRO 235 CO 0.91 0.07 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 3inn n LEU 236 N -3.88 0.26 -4.60 1.56 4.77 -1.26 -4.72 117.00 109.12 3inn n LEU 236 Ca -0.02 0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 56.16 3inn n LEU 236 Cb 0.16 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 3inn n LEU 236 CO 0.30 -0.36 -0.24 0.00 -1.33 0.00 0.00 177.39 175.76 3inn s ALA 237 N -3.12 3.40 -0.27 -1.18 0.00 -0.27 -4.01 121.76 116.30 3inn s ALA 237 Ca 0.06 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3inn s ALA 237 Cb 0.10 -2.05 0.06 0.00 0.00 0.00 0.00 23.12 21.22 3inn s ALA 237 CO 0.32 -0.06 -0.09 0.08 0.00 0.00 0.00 175.76 176.01 3inn s VAL 238 N 0.81 2.34 -0.02 0.00 1.01 0.33 -4.74 120.40 120.12 3inn s VAL 238 Ca 0.05 -1.59 -0.30 0.00 0.00 0.00 0.00 61.98 60.14 3inn s VAL 238 Cb -0.13 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 3inn s VAL 238 CO 0.02 -0.05 1.64 -2.84 0.00 0.00 0.00 175.10 173.87 3inn s PRO 239 N 1.13 4.19 -0.10 2.72 0.02 -1.26 -0.28 135.00 141.42 3inn s PRO 239 Ca -0.08 2.20 -0.02 0.00 0.02 0.00 0.00 61.00 63.12 3inn s PRO 239 Cb -0.20 -3.88 -0.26 0.00 0.02 0.00 0.00 34.50 30.18 3inn s PRO 239 CO -0.04 -0.80 0.45 0.39 -0.33 0.00 0.00 177.00 176.67 3inn n GLU 240 N 6.70 0.73 -3.76 5.54 1.02 0.63 -4.90 120.64 126.60 3inn n GLU 240 Ca 0.17 0.27 -0.15 0.00 -0.02 0.00 0.00 57.16 57.43 3inn n GLU 240 Cb 0.42 -1.73 -0.16 0.00 -0.02 0.00 0.00 31.44 29.95 3inn n GLU 240 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3inn s VAL 241 N -2.57 -0.06 -0.25 2.62 1.01 -0.55 -4.96 120.40 115.64 3inn s VAL 241 Ca -0.18 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3inn s VAL 241 Cb 0.07 -0.13 0.06 0.00 0.00 0.00 0.00 36.38 36.38 3inn s VAL 241 CO 0.79 0.09 -0.10 -0.63 0.00 0.00 0.00 175.10 175.25 3inn s ILE 242 N 1.17 1.98 -0.10 2.22 1.01 -1.26 -1.18 121.20 125.04 3inn s ILE 242 Ca -0.08 -1.49 0.03 0.00 0.00 0.00 0.00 60.65 59.11 3inn s ILE 242 Cb -0.13 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3inn s ILE 242 CO -0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 174.94 174.66 3inn s ALA 243 N 1.19 2.02 -0.24 9.38 0.00 -0.35 -5.00 121.76 128.76 3inn s ALA 243 Ca -0.08 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3inn s ALA 243 Cb -0.19 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.17 3inn s ALA 243 CO -0.06 0.18 -0.12 0.42 0.00 0.00 0.00 175.76 176.19 3inn s ILE 244 N 0.52 2.05 0.12 0.00 -1.09 -1.26 -0.78 121.20 120.77 3inn s ILE 244 Ca -0.15 -1.43 -0.03 0.00 -2.23 0.00 0.00 60.65 56.80 3inn s ILE 244 Cb -0.17 -2.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.56 3inn s ILE 244 CO 0.06 0.07 0.08 -0.13 -1.23 0.00 0.00 174.94 173.79 3inn s ARG 245 N 1.18 0.90 0.13 2.79 1.81 0.65 -4.37 118.95 122.03 3inn s ARG 245 Ca -0.06 -1.32 -0.31 0.00 -1.72 0.00 0.00 55.73 52.32 3inn s ARG 245 Cb -0.18 0.26 -0.10 0.00 -0.45 0.00 0.00 34.95 34.48 3inn s ARG 245 CO -0.07 -0.26 1.67 0.34 -0.68 0.00 0.00 175.30 176.30 3inn s ASP 246 N -3.00 6.53 0.44 0.23 -1.08 -0.50 0.00 116.67 119.30 3inn s ASP 246 Ca 0.18 2.64 0.30 0.00 -0.52 0.00 0.00 52.55 55.16 3inn s ASP 246 Cb 0.07 -2.58 1.33 0.00 -1.46 0.00 0.00 42.92 40.28 3inn s ASP 246 CO -0.02 -0.90 1.91 -0.65 0.52 0.00 0.00 175.17 176.03 3inn h PRO 247 N 7.60 0.00 0.04 4.34 0.11 -1.90 0.14 132.00 142.32 3inn h PRO 247 Ca -0.43 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.30 3inn h PRO 247 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3inn h PRO 247 CO 0.93 0.00 -2.33 0.39 -0.21 0.00 0.00 178.00 176.79 3inn n GLU 248 N -2.73 0.68 -0.00 1.05 1.02 -1.26 -4.53 120.64 114.87 3inn n GLU 248 Ca 0.01 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 3inn n GLU 248 Cb 0.23 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 29.93 3inn n GLU 248 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3inn n THR 249 N -3.30 0.01 -1.63 2.62 -2.24 -1.23 -4.97 114.28 103.54 3inn n THR 249 Ca -0.41 -0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 60.89 3inn n THR 249 Cb 1.01 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.95 -1.38 -4.96 3.22 4.77 0.47 -4.81 117.00 112.36 3inn n LEU 250 Ca -0.01 0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 56.14 3inn n LEU 250 Cb 0.47 -2.56 -0.02 0.00 -2.33 0.00 0.00 43.42 38.99 3inn n LEU 250 CO 0.45 -0.85 0.05 -1.61 -1.33 0.00 0.00 177.39 174.10 3inn s GLU 251 N -3.71 3.46 0.68 3.23 0.41 -1.26 -4.75 118.70 116.77 3inn s GLU 251 Ca 0.00 -0.57 -0.17 0.00 -0.41 0.00 0.00 54.97 53.82 3inn s GLU 251 Cb 0.00 -2.79 0.01 0.00 -1.78 0.00 0.00 34.13 29.57 3inn s GLU 251 CO 0.00 0.31 1.28 0.54 -0.49 0.00 0.00 175.26 176.89 3inn n ARG 252 N -1.57 0.92 -4.33 1.61 1.74 -1.26 -1.41 116.66 112.36 3inn n ARG 252 Ca -0.07 0.38 -0.27 0.00 -0.77 0.00 0.00 57.85 57.12 3inn n ARG 252 Cb 0.57 -2.51 -0.10 0.00 -1.02 0.00 0.00 32.46 29.39 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 -4.62 2.80 0.18 0.55 1.43 -1.26 -4.79 118.68 112.97 3inn s LEU 253 Ca 0.81 -0.67 0.17 0.00 -1.03 0.00 0.00 54.13 53.41 3inn s LEU 253 Cb -0.36 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3inn s LEU 253 CO 0.42 0.11 1.12 1.55 0.23 0.00 0.00 176.35 179.78 3inn h PRO 254 N 3.01 0.00 -3.24 1.29 0.13 -1.96 -3.45 132.00 127.77 3inn h PRO 254 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3inn h PRO 254 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 3inn h PRO 254 CO 0.52 0.32 0.05 0.00 -0.23 0.00 0.00 178.00 178.67 3inn s ALA 255 N -3.00 -1.13 -0.15 -0.56 0.00 -1.26 -4.68 121.76 110.98 3inn s ALA 255 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3inn s ALA 255 Cb 0.08 0.81 -0.12 0.00 0.00 0.00 0.00 23.12 23.89 3inn s ALA 255 CO 0.78 -0.74 -0.07 1.28 0.00 0.00 0.00 175.76 177.00 3inn n LEU 256 N -0.31 1.89 -4.79 0.00 4.77 -0.36 -4.92 117.00 113.28 3inn n LEU 256 Ca -0.14 -0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.44 3inn n LEU 256 Cb 0.64 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3inn n LEU 256 CO 0.16 0.60 0.75 -1.10 -1.33 0.00 0.00 177.39 176.47 3inn s GLN 257 N -2.31 3.70 0.00 3.23 -1.52 -1.26 -3.66 119.66 117.83 3inn s GLN 257 Ca -0.16 1.51 0.00 0.00 -1.95 0.00 0.00 55.36 54.76 3inn s GLN 257 Cb 0.05 -2.15 0.00 0.00 -0.22 0.00 0.00 33.01 30.68 3inn s GLN 257 CO 0.42 -0.54 0.00 0.41 -0.25 0.00 0.00 175.29 175.33 3inn n GLY 258 N 0.03 0.59 3.39 3.09 0.00 -1.26 -5.01 105.19 106.02 3inn n GLY 258 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.15 1.19 0.29 1.61 1.04 -1.17 -4.67 118.95 117.09 3inn s ARG 259 Ca 0.00 -0.48 -0.28 0.00 -1.04 0.00 0.00 55.73 53.94 3inn s ARG 259 Cb 0.00 0.54 -0.10 0.00 -2.04 0.00 0.00 34.95 33.36 3inn s ARG 259 CO 0.00 -0.50 0.95 -1.25 -0.04 0.00 0.00 175.30 174.46 3inn s PRO 260 N -3.53 4.68 0.03 3.89 0.04 -1.22 -4.19 135.00 134.70 3inn s PRO 260 Ca 0.00 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.53 3inn s PRO 260 Cb -0.00 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 3inn s PRO 260 CO -0.11 0.36 -0.24 0.96 0.04 0.00 0.00 177.00 178.01 3inn s ILE 261 N -1.44 1.94 -0.20 0.56 -4.36 0.17 -4.46 121.20 113.42 3inn s ILE 261 Ca 0.47 -1.26 -0.15 0.00 -0.26 0.00 0.00 60.65 59.45 3inn s ILE 261 Cb -0.22 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.79 3inn s ILE 261 CO 0.27 0.35 0.35 -0.22 0.24 0.00 0.00 174.94 175.93 3inn s LEU 262 N -1.09 4.17 -0.28 0.37 2.96 0.10 -0.62 118.68 124.29 3inn s LEU 262 Ca 0.10 0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 54.41 3inn s LEU 262 Cb -0.09 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.17 3inn s LEU 262 CO 0.01 -0.02 0.05 -0.69 -1.32 0.00 0.00 176.35 174.39 3inn s VAL 263 N 1.09 3.83 -0.13 1.68 1.01 -0.42 -0.26 120.40 127.21 3inn s VAL 263 Ca 0.17 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3inn s VAL 263 Cb -0.14 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3inn s VAL 263 CO 0.07 0.14 -0.18 0.00 0.00 0.00 0.00 175.10 175.12 3inn s ALA 264 N 1.49 1.98 -0.12 5.51 0.00 0.04 -1.52 121.76 129.14 3inn s ALA 264 Ca 0.03 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.09 3inn s ALA 264 Cb -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3inn s ALA 264 CO 0.01 -0.08 -0.22 -0.51 0.00 0.00 0.00 175.76 174.97 3inn s LEU 265 N 0.94 2.17 -0.26 0.00 1.43 0.06 -1.21 118.68 121.81 3inn s LEU 265 Ca -0.06 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3inn s LEU 265 Cb -0.15 -1.44 0.07 0.00 0.03 0.00 0.00 46.19 44.70 3inn s LEU 265 CO -0.03 0.14 -0.02 0.12 0.23 0.00 0.00 176.35 176.80 3inn s PHE 266 N 0.48 2.47 -0.08 0.29 5.36 -0.33 -1.46 117.98 124.71 3inn s PHE 266 Ca -0.15 -1.92 0.01 0.00 -0.96 0.00 0.00 56.93 53.91 3inn s PHE 266 Cb -0.17 -1.78 0.02 0.00 -0.34 0.00 0.00 43.02 40.75 3inn s PHE 266 CO 0.06 -0.81 -0.07 0.08 -1.46 0.00 0.00 175.22 173.02 3inn s VAL 267 N 1.36 0.83 -0.20 3.12 1.01 0.62 -0.27 120.40 126.87 3inn s VAL 267 Ca -0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 3inn s VAL 267 Cb -0.19 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3inn s VAL 267 CO -0.09 0.31 0.49 -0.60 0.00 0.00 0.00 175.10 175.20 3inn s ARG 268 N 1.24 4.19 -0.29 2.72 3.52 0.61 0.44 118.95 131.39 3inn s ARG 268 Ca -0.05 0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.94 3inn s ARG 268 Cb -0.14 -3.55 0.08 0.00 -1.56 0.00 0.00 34.95 29.78 3inn s ARG 268 CO -0.02 -0.11 -0.02 0.08 -0.81 0.00 0.00 175.30 174.42 3inn s VAL 269 N 1.51 1.95 0.00 7.11 1.01 0.12 -0.52 120.40 131.59 3inn s VAL 269 Ca 0.23 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.41 3inn s VAL 269 Cb -0.15 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3inn s VAL 269 CO 0.09 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.48 3inn n GLY 270 N 4.45 3.45 1.40 4.51 0.00 -1.26 -1.34 105.19 116.41 3inn n GLY 270 Ca -0.06 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 11.33 2.63 -3.30 4.61 0.00 -1.26 -4.92 120.51 129.60 3inn n ALA 271 Ca 0.00 -1.35 -0.34 0.00 0.00 0.00 0.00 53.44 51.75 3inn n ALA 271 Cb 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.33 3.41 -0.36 0.00 2.01 -0.45 -5.07 115.64 113.85 3inn s THR 272 Ca 0.48 -0.50 -0.13 0.00 0.31 0.00 0.00 61.69 61.86 3inn s THR 272 Cb 0.27 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 70.27 3inn s THR 272 CO 0.29 0.46 0.24 -0.13 -0.69 0.00 0.00 174.62 174.79 3inn s ARG 273 N 1.02 3.17 0.08 4.92 0.52 -1.26 0.12 118.95 127.52 3inn s ARG 273 Ca 0.00 -0.86 -0.15 0.00 -0.52 0.00 0.00 55.73 54.20 3inn s ARG 273 Cb -0.15 -3.80 -0.06 0.00 0.52 0.00 0.00 34.95 31.46 3inn s ARG 273 CO -0.00 -0.58 0.49 -0.51 0.02 0.00 0.00 175.30 174.72 3inn s LEU 274 N 1.66 4.42 0.01 2.53 1.43 0.17 -4.86 118.68 124.04 3inn s LEU 274 Ca 0.05 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 3inn s LEU 274 Cb -0.18 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 3inn s LEU 274 CO 0.09 0.21 -0.25 -0.22 0.23 0.00 0.00 176.35 176.41 3inn s LEU 275 N -1.52 2.11 0.08 1.79 2.96 -1.26 -0.28 118.68 122.56 3inn s LEU 275 Ca 0.31 -0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 53.49 3inn s LEU 275 Cb -0.16 -1.23 0.06 0.00 0.50 0.00 0.00 46.19 45.35 3inn s LEU 275 CO 0.17 0.27 0.54 -0.62 -1.32 0.00 0.00 176.35 175.39 3inn s ASP 276 N -0.89 -0.46 0.02 3.68 -1.08 -0.54 -4.90 116.67 112.49 3inn s ASP 276 Ca 0.10 0.11 -0.10 0.00 -0.52 0.00 0.00 52.55 52.14 3inn s ASP 276 Cb -0.10 0.52 0.01 0.00 -1.46 0.00 0.00 42.92 41.89 3inn s ASP 276 CO 0.00 -0.79 0.20 0.20 0.52 0.00 0.00 175.17 175.31 3inn s ASN 277 N -2.21 -0.02 -0.15 -0.34 0.01 -1.26 -0.76 114.94 110.21 3inn s ASN 277 Ca -0.03 -0.23 -0.11 0.00 -0.71 0.00 0.00 52.86 51.78 3inn s ASN 277 Cb -0.00 0.27 0.05 0.00 0.41 0.00 0.00 41.25 41.97 3inn s ASN 277 CO -0.05 -0.48 0.38 -0.60 -1.51 0.00 0.00 177.10 174.84 3inn s ARG 278 N -1.97 0.41 -0.32 -0.60 3.52 -0.58 -5.01 118.95 114.40 3inn s ARG 278 Ca -0.10 0.62 -0.20 0.00 -0.13 0.00 0.00 55.73 55.93 3inn s ARG 278 Cb -0.04 0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.45 3inn s ARG 278 CO -0.01 -0.10 0.61 0.08 -0.81 0.00 0.00 175.30 175.08 3inn s VAL 279 N 0.71 4.94 -0.08 7.11 1.01 -1.26 -1.30 120.40 131.53 3inn s VAL 279 Ca -0.04 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.68 3inn s VAL 279 Cb -0.05 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3inn s VAL 279 CO -0.05 -0.18 -0.11 -0.63 0.00 0.00 0.00 175.10 174.13 3inn s ILE 280 N 2.60 3.35 0.00 2.22 1.01 0.21 -4.92 121.20 125.66 3inn s ILE 280 Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.29 3inn s ILE 280 Cb -0.15 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.96 3inn s ILE 280 CO 0.13 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.25 3inn n GLY 281 N 2.55 -2.32 3.42 6.18 0.00 -1.26 -0.65 105.19 113.11 3inn n GLY 281 Ca -0.18 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.42 0.27 -2.00 1.61 -3.43 -1.26 -4.53 115.29 105.54 3inn s HIS 282 Ca 0.00 -0.63 0.30 0.00 -0.80 0.00 0.00 55.06 53.93 3inn s HIS 282 Cb 0.00 0.09 1.81 0.00 -1.43 0.00 0.00 32.58 33.05 3inn s HIS 282 CO 0.00 -0.81 2.14 0.00 -2.00 0.00 0.00 174.74 174.07