#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 4.42 -0.21 0.00 0.00 -1.26 -4.93 119.30 117.32 3inn s MET 1 Ca 0.00 1.91 -0.12 0.00 0.00 0.00 0.00 55.69 57.48 3inn s MET 1 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 34.83 31.51 3inn s MET 1 CO 0.00 -0.25 0.22 -0.65 0.00 0.00 0.00 175.02 174.34 3inn s GLN 2 N 0.53 4.16 -0.28 4.11 -0.21 -0.17 -4.96 119.66 122.85 3inn s GLN 2 Ca 0.58 -0.10 -0.15 0.00 0.02 0.00 0.00 55.36 55.71 3inn s GLN 2 Cb -0.33 -3.49 -0.03 0.00 1.00 0.00 0.00 33.01 30.16 3inn s GLN 2 CO 0.33 0.14 0.38 0.42 -2.12 0.00 0.00 175.29 174.43 3inn s ILE 3 N 0.81 5.17 0.00 1.08 1.01 -1.26 -1.33 121.20 126.68 3inn s ILE 3 Ca 0.11 0.51 0.07 0.00 0.00 0.00 0.00 60.65 61.35 3inn s ILE 3 Cb -0.13 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 3inn s ILE 3 CO 0.03 0.12 -0.23 -0.63 0.00 0.00 0.00 174.94 174.23 3inn s ILE 4 N 2.08 1.84 -0.16 2.92 1.01 0.27 -4.97 121.20 124.18 3inn s ILE 4 Ca 0.15 -1.08 0.05 0.00 0.00 0.00 0.00 60.65 59.76 3inn s ILE 4 Cb -0.16 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 3inn s ILE 4 CO 0.10 0.44 0.18 1.41 0.00 0.00 0.00 174.94 177.07 3inn n HIS 5 N 2.28 0.00 -4.34 3.97 8.25 -1.26 -0.99 115.22 123.13 3inn n HIS 5 Ca -0.16 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.07 3inn n HIS 5 Cb 0.52 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.74 1.88 0.12 1.59 -4.23 -1.26 -4.22 115.64 107.77 3inn s THR 6 Ca 0.01 -1.91 -0.18 0.00 -1.18 0.00 0.00 61.69 58.43 3inn s THR 6 Cb 0.04 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 3inn s THR 6 CO 0.21 -0.27 1.68 0.40 -0.54 0.00 0.00 174.62 176.10 3inn h ILE 7 N 3.30 1.16 0.42 2.99 2.04 -1.97 -0.70 117.51 124.75 3inn h ILE 7 Ca -0.43 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 3inn h ILE 7 Cb 1.20 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3inn h ILE 7 CO 0.50 0.17 -0.20 -0.33 0.00 0.00 0.00 178.15 178.29 3inn h GLU 8 N 0.36 -0.54 -0.83 2.37 5.08 -1.97 -1.57 114.58 117.48 3inn h GLU 8 Ca 0.10 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 3inn h GLU 8 Cb 0.14 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 3inn h GLU 8 CO -0.01 -0.36 0.47 1.49 -1.00 0.00 0.00 179.01 179.60 3inn h GLU 9 N -0.56 0.76 -0.24 2.33 4.81 -1.97 -2.12 114.58 117.59 3inn h GLU 9 Ca -0.06 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3inn h GLU 9 Cb 0.43 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3inn h GLU 9 CO 0.09 0.50 0.08 1.25 -0.73 0.00 0.00 179.01 180.20 3inn h LEU 10 N 0.78 0.34 -0.96 1.64 5.85 -0.93 -1.31 115.31 120.71 3inn h LEU 10 Ca 0.41 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3inn h LEU 10 Cb 0.39 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3inn h LEU 10 CO -0.26 0.45 0.50 0.03 -0.34 0.00 0.00 178.44 178.82 3inn h ARG 11 N 0.22 1.23 -0.68 1.25 3.08 -1.08 -1.39 114.38 117.01 3inn h ARG 11 Ca 0.08 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3inn h ARG 11 Cb 0.23 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3inn h ARG 11 CO -0.00 0.88 0.18 1.96 -1.07 0.00 0.00 179.97 181.92 3inn h GLN 12 N 1.24 1.08 -0.57 0.04 4.20 -1.26 -0.30 115.11 119.54 3inn h GLN 12 Ca 0.31 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3inn h GLN 12 Cb -0.00 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3inn h GLN 12 CO -0.05 0.95 0.23 0.00 -0.67 0.00 0.00 178.83 179.29 3inn h ALA 13 N 1.08 1.34 0.00 3.87 0.00 -0.74 -3.13 119.26 121.68 3inn h ALA 13 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3inn h ALA 13 Cb 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3inn h ALA 13 CO -0.00 0.50 -1.05 -0.07 0.00 0.00 0.00 179.25 178.63 3inn h LEU 14 N 0.81 0.00 -0.85 0.00 3.38 -1.07 -3.41 115.31 114.17 3inn h LEU 14 Ca 0.19 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.36 3inn h LEU 14 Cb 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.79 3inn h LEU 14 CO -0.02 0.09 0.35 0.00 0.09 0.00 0.00 178.44 178.95 3inn h ALA 15 N 1.91 1.30 0.03 1.53 0.00 -0.99 -2.07 119.26 120.97 3inn h ALA 15 Ca -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3inn h ALA 15 Cb 1.09 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3inn h ALA 15 CO 0.01 -0.30 -0.02 -1.35 0.00 0.00 0.00 179.25 177.59 3inn h PRO 16 N 0.41 -0.04 -0.83 0.00 0.11 -1.79 -1.69 132.00 128.17 3inn h PRO 16 Ca 0.51 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.77 3inn h PRO 16 Cb 0.91 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 31.94 3inn h PRO 16 CO -0.50 0.27 0.42 0.00 -0.21 0.00 0.00 178.00 177.98 3inn h ALA 17 N 0.60 1.24 -0.52 -0.75 0.00 -1.80 -0.47 119.26 117.57 3inn h ALA 17 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3inn h ALA 17 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3inn h ALA 17 CO 0.01 -0.10 0.02 -0.09 0.00 0.00 0.00 179.25 179.09 3inn h ARG 18 N 0.61 0.86 -0.43 0.00 2.43 -1.19 -1.48 114.38 115.17 3inn h ARG 18 Ca 0.45 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 3inn h ARG 18 Cb 0.64 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3inn h ARG 18 CO -0.36 0.84 -0.21 0.37 -1.51 0.00 0.00 179.97 179.10 3inn h GLN 19 N 0.80 0.86 -0.51 0.20 -0.00 -0.29 -2.85 115.11 113.32 3inn h GLN 19 Ca 0.16 -0.35 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 3inn h GLN 19 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.89 3inn h GLN 19 CO 0.02 0.99 0.00 1.04 0.00 0.00 0.00 178.83 180.87 3inn n GLN 20 N -4.11 0.99 -1.33 1.69 1.13 -0.30 -4.88 117.38 110.57 3inn n GLN 20 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3inn n GLN 20 Cb 0.44 -1.26 -0.05 0.00 0.11 0.00 0.00 30.24 29.48 3inn n GLN 20 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3inn n GLY 21 N 0.24 1.19 3.77 1.08 0.00 -1.08 -4.98 105.19 105.42 3inn n GLY 21 Ca 0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.82 4.11 -0.06 1.61 0.00 -0.59 -5.00 119.74 117.00 3inn s LYS 22 Ca 0.00 1.68 -0.27 0.00 0.00 0.00 0.00 55.97 57.38 3inn s LYS 22 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 37.83 35.18 3inn s LYS 22 CO 0.00 -0.23 0.86 0.15 0.00 0.00 0.00 175.35 176.13 3inn s LYS 23 N -2.37 4.46 -0.21 1.78 1.02 -1.26 -4.66 119.74 118.50 3inn s LYS 23 Ca 0.57 1.15 -0.05 0.00 0.02 0.00 0.00 55.97 57.66 3inn s LYS 23 Cb -0.27 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.54 3inn s LYS 23 CO 0.33 -0.08 0.01 0.42 -0.92 0.00 0.00 175.35 175.12 3inn s ILE 24 N 1.22 4.00 -0.05 2.17 1.01 -1.26 -0.69 121.20 127.60 3inn s ILE 24 Ca 0.44 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.82 3inn s ILE 24 Cb -0.19 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3inn s ILE 24 CO 0.21 0.41 -0.08 -0.83 0.00 0.00 0.00 174.94 174.65 3inn s GLY 25 N 1.15 1.68 -0.05 6.18 0.00 0.29 -0.41 107.32 116.15 3inn s GLY 25 Ca 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3inn s GLY 25 CO 0.02 -0.73 -0.05 -0.12 0.00 0.00 0.00 173.10 172.21 3inn s PHE 26 N -0.84 0.84 -0.31 1.90 5.36 -0.30 -0.48 117.98 124.16 3inn s PHE 26 Ca 0.13 -0.26 0.02 0.00 -0.96 0.00 0.00 56.93 55.87 3inn s PHE 26 Cb -0.11 -0.73 0.09 0.00 -0.34 0.00 0.00 43.02 41.93 3inn s PHE 26 CO 0.03 -0.22 0.02 0.08 -1.46 0.00 0.00 175.22 173.67 3inn s VAL 27 N 0.96 1.86 0.07 3.12 1.01 -0.20 -1.55 120.40 125.66 3inn s VAL 27 Ca -0.10 -1.87 -0.29 0.00 0.00 0.00 0.00 61.98 59.71 3inn s VAL 27 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 3inn s VAL 27 CO 0.00 -0.46 0.94 -2.16 0.00 0.00 0.00 175.10 173.42 3inn s PRO 28 N 1.15 4.63 0.19 2.72 0.04 -1.26 -1.35 135.00 141.12 3inn s PRO 28 Ca 0.05 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 3inn s PRO 28 Cb -0.19 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 3inn s PRO 28 CO -0.11 0.14 0.19 0.95 0.04 0.00 0.00 177.00 178.21 3inn s THR 29 N 0.29 0.03 -0.23 1.26 -4.23 0.70 -4.90 115.64 108.57 3inn s THR 29 Ca 0.47 -1.82 0.14 0.00 -1.18 0.00 0.00 61.69 59.30 3inn s THR 29 Cb -0.22 -2.29 0.67 0.00 1.34 0.00 0.00 72.50 71.99 3inn s THR 29 CO 0.28 -0.12 1.60 0.23 -0.54 0.00 0.00 174.62 176.07 3inn n MET 30 N -0.25 3.70 0.00 3.99 2.81 -1.26 -2.04 117.12 124.07 3inn n MET 30 Ca -0.01 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.86 3inn n MET 30 Cb 0.65 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 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 -0.09 -1.69 3.44 3.03 0.00 -1.26 -4.54 105.19 104.08 3inn n GLY 31 Ca 0.27 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.35 -2.43 -2.64 1.61 9.36 -1.26 -4.89 117.16 116.56 3inn n TYR 32 Ca 0.00 0.89 -0.37 0.00 3.32 0.00 0.00 57.90 61.74 3inn n TYR 32 Cb 0.00 -3.51 -0.05 0.00 -0.63 0.00 0.00 39.34 35.15 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 -4.85 4.30 0.39 2.98 1.43 -1.26 -4.67 118.68 117.00 3inn s LEU 33 Ca 0.10 1.98 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 3inn s LEU 33 Cb -0.03 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 3inn s LEU 33 CO 0.82 -0.24 0.10 -1.38 0.23 0.00 0.00 176.35 175.88 3inn s HIS 34 N -1.56 1.83 0.43 0.29 -3.43 -1.26 -5.02 115.29 106.57 3inn s HIS 34 Ca 0.52 -1.19 0.22 0.00 -0.80 0.00 0.00 55.06 53.81 3inn s HIS 34 Cb -0.22 -1.21 1.18 0.00 -1.43 0.00 0.00 32.58 30.90 3inn s HIS 34 CO 0.28 -0.20 1.81 1.57 -2.00 0.00 0.00 174.74 176.20 3inn h LYS 35 N 1.85 0.31 -0.38 -0.38 -0.00 -1.98 -0.05 116.57 115.94 3inn h LYS 35 Ca -0.37 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.65 60.21 3inn h LYS 35 Cb 1.27 -0.07 -0.01 0.00 -0.00 0.00 0.00 32.23 33.41 3inn h LYS 35 CO 0.61 0.20 0.04 0.78 -0.00 0.00 0.00 179.45 181.08 3inn h GLY 36 N 0.32 0.69 0.87 0.07 0.00 -1.92 -1.83 103.07 101.26 3inn h GLY 36 Ca 0.54 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.42 3inn h GLY 36 CO -0.20 0.44 0.28 0.45 0.00 0.00 0.00 176.54 177.51 3inn h HIS 37 N 0.48 0.53 0.00 5.60 -0.00 -1.42 -2.13 115.15 118.20 3inn h HIS 37 Ca 0.11 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3inn h HIS 37 Cb 0.40 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.64 3inn h HIS 37 CO 0.03 0.30 -0.11 -0.07 -0.00 0.00 0.00 177.93 178.07 3inn h LEU 38 N 0.56 0.00 -0.29 2.43 3.38 -1.21 -0.12 115.31 120.06 3inn h LEU 38 Ca 0.20 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 3inn h LEU 38 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3inn h LEU 38 CO -0.10 0.11 -0.73 -0.08 0.09 0.00 0.00 178.44 177.73 3inn h GLU 39 N 0.00 0.63 -0.75 1.13 4.57 -0.89 0.05 114.58 119.33 3inn h GLU 39 Ca -0.00 -0.50 0.03 0.00 -1.18 0.00 0.00 59.36 57.70 3inn h GLU 39 Cb 0.23 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 3inn h GLU 39 CO 0.01 1.12 0.48 -0.07 -1.18 0.00 0.00 179.01 179.37 3inn h LEU 40 N 0.44 0.79 -0.30 1.64 3.38 -0.64 -1.77 115.31 118.85 3inn h LEU 40 Ca -0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3inn h LEU 40 Cb 1.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3inn h LEU 40 CO 0.14 0.55 -0.02 0.58 0.09 0.00 0.00 178.44 179.78 3inn h VAL 41 N 0.94 1.26 -0.15 1.22 2.07 -0.83 -1.54 116.25 119.22 3inn h VAL 41 Ca 0.29 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3inn h VAL 41 Cb -0.01 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3inn h VAL 41 CO -0.10 0.32 -0.14 -0.09 0.02 0.00 0.00 177.57 177.58 3inn h ARG 42 N 0.32 -0.15 -0.84 1.57 2.43 -0.78 0.17 114.38 117.09 3inn h ARG 42 Ca 0.08 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.41 3inn h ARG 42 Cb 0.47 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 29.96 3inn h ARG 42 CO 0.02 -0.10 0.42 0.00 -1.51 0.00 0.00 179.97 178.80 3inn h ARG 43 N -0.16 0.57 -0.43 0.20 2.47 -1.20 0.30 114.38 116.14 3inn h ARG 43 Ca 0.10 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 3inn h ARG 43 Cb 0.31 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 3inn h ARG 43 CO -0.25 0.38 0.09 0.00 0.56 0.00 0.00 179.97 180.75 3inn h ALA 44 N 1.57 0.57 -0.27 0.04 0.00 -0.38 -2.37 119.26 118.42 3inn h ALA 44 Ca 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3inn h ALA 44 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3inn h ALA 44 CO -0.38 0.27 0.09 -0.09 0.00 0.00 0.00 179.25 179.14 3inn h ARG 45 N 0.57 0.41 0.00 0.00 2.43 0.86 -2.13 114.38 116.51 3inn h ARG 45 Ca 0.13 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3inn h ARG 45 Cb 0.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3inn h ARG 45 CO 0.00 0.47 -0.23 -0.39 -1.51 0.00 0.00 179.97 178.32 3inn h VAL 46 N 0.27 0.53 -0.00 0.20 -1.51 -1.02 -3.22 116.25 111.50 3inn h VAL 46 Ca 0.09 -1.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 3inn h VAL 46 Cb 0.23 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3inn h VAL 46 CO -0.00 0.22 -0.64 -0.62 -1.23 0.00 0.00 177.57 175.30 3inn n GLU 47 N -3.36 0.35 -4.07 5.19 1.02 -0.90 -4.99 120.64 113.88 3inn n GLU 47 Ca 0.00 -0.26 -0.08 0.00 -0.02 0.00 0.00 57.16 56.81 3inn n GLU 47 Cb 0.45 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.83 0.47 0.13 1.62 0.01 -0.83 -5.01 114.94 108.50 3inn s ASN 48 Ca 0.13 -0.87 -0.07 0.00 -0.71 0.00 0.00 52.86 51.34 3inn s ASN 48 Cb 0.17 0.17 -0.08 0.00 0.41 0.00 0.00 41.25 41.92 3inn s ASN 48 CO 0.71 -0.51 1.33 0.44 -1.51 0.00 0.00 177.10 177.56 3inn h ASP 49 N 3.52 0.68 -3.36 -1.22 3.32 -1.49 -3.45 116.42 114.42 3inn h ASP 49 Ca -0.34 -0.48 -0.56 0.00 0.02 0.00 0.00 57.03 55.67 3inn h ASP 49 Cb 1.16 -0.20 -0.34 0.00 0.22 0.00 0.00 39.33 40.17 3inn h ASP 49 CO 0.60 1.26 -0.83 -0.69 -1.72 0.00 0.00 179.24 177.86 3inn s VAL 50 N -3.52 1.37 -0.15 -1.35 1.01 0.14 -4.97 120.40 112.92 3inn s VAL 50 Ca -0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3inn s VAL 50 Cb 0.09 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3inn s VAL 50 CO 0.88 0.41 -0.11 -0.89 0.00 0.00 0.00 175.10 175.39 3inn s THR 51 N 0.71 3.12 -0.08 3.92 2.01 -1.26 -0.55 115.64 123.51 3inn s THR 51 Ca -0.13 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.28 3inn s THR 51 Cb -0.16 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.02 3inn s THR 51 CO 0.03 0.50 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.08 3inn s LEU 52 N 0.65 1.79 -0.10 4.42 0.20 0.36 -2.03 118.68 123.97 3inn s LEU 52 Ca -0.06 -0.39 0.00 0.00 0.69 0.00 0.00 54.13 54.38 3inn s LEU 52 Cb -0.15 -1.03 -0.02 0.00 -0.43 0.00 0.00 46.19 44.56 3inn s LEU 52 CO 0.02 0.07 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.37 3inn s VAL 53 N 0.58 3.37 -0.09 1.68 1.01 -0.42 -1.04 120.40 125.49 3inn s VAL 53 Ca -0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3inn s VAL 53 Cb -0.16 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3inn s VAL 53 CO 0.05 0.55 0.01 -0.94 0.00 0.00 0.00 175.10 174.77 3inn s SER 54 N -0.19 5.30 -0.24 3.32 1.04 -0.45 -0.37 113.70 122.10 3inn s SER 54 Ca 0.01 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.62 3inn s SER 54 Cb -0.13 -1.51 0.05 0.00 0.10 0.00 0.00 66.02 64.53 3inn s SER 54 CO 0.03 0.38 -0.10 -0.63 0.98 0.00 0.00 173.24 173.90 3inn s ILE 55 N -0.86 1.87 -0.26 -1.02 1.01 0.04 -0.21 121.20 121.76 3inn s ILE 55 Ca 0.13 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.38 3inn s ILE 55 Cb -0.11 -2.00 0.14 0.00 0.01 0.00 0.00 42.46 40.49 3inn s ILE 55 CO 0.02 0.02 0.52 0.12 0.00 0.00 0.00 174.94 175.62 3inn s PHE 56 N 1.26 -1.15 -0.69 3.97 5.36 -0.86 -3.86 117.98 122.00 3inn s PHE 56 Ca -0.06 1.64 -0.26 0.00 -0.96 0.00 0.00 56.93 57.29 3inn s PHE 56 Cb -0.18 0.44 0.04 0.00 -0.34 0.00 0.00 43.02 42.98 3inn s PHE 56 CO -0.06 -0.68 1.20 0.08 -1.46 0.00 0.00 175.22 174.30 3inn s VAL 57 N 2.74 3.89 -0.53 3.12 1.01 -1.26 -4.33 120.40 125.04 3inn s VAL 57 Ca 0.06 0.39 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 3inn s VAL 57 Cb -0.13 -4.83 0.03 0.00 0.00 0.00 0.00 36.38 31.45 3inn s VAL 57 CO -0.17 -1.67 1.07 0.21 0.00 0.00 0.00 175.10 174.54 3inn s ASN 58 N 3.54 6.46 0.52 3.32 2.47 -1.26 -4.92 114.94 125.08 3inn s ASN 58 Ca 0.34 0.05 0.22 0.00 0.42 0.00 0.00 52.86 53.89 3inn s ASN 58 Cb -0.09 -2.50 1.41 0.00 -1.45 0.00 0.00 41.25 38.61 3inn s ASN 58 CO 0.16 -1.30 2.13 -0.65 -3.72 0.00 0.00 177.10 173.73 3inn h PRO 59 N 9.35 0.00 -0.11 0.43 0.11 -1.95 -2.23 132.00 137.59 3inn h PRO 59 Ca -0.25 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.90 3inn h PRO 59 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3inn h PRO 59 CO 1.12 0.06 0.14 -0.07 -0.21 0.00 0.00 178.00 179.05 3inn h LEU 60 N 0.00 0.00 -3.14 2.35 3.38 -1.91 -2.10 115.31 113.88 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 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3inn h LEU 60 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3inn n GLN 61 N -3.72 3.71 -4.69 1.13 10.64 -0.84 -4.06 117.38 119.56 3inn n GLN 61 Ca -0.00 -2.87 -0.33 0.00 -1.83 0.00 0.00 57.00 51.96 3inn n GLN 61 Cb 0.25 -1.88 -0.14 0.00 -0.86 0.00 0.00 30.24 27.61 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 -1.86 2.86 0.90 2.61 0.08 -0.79 -4.86 117.98 116.92 3inn s PHE 62 Ca 0.50 -0.54 -0.12 0.00 0.12 0.00 0.00 56.93 56.89 3inn s PHE 62 Cb 0.33 -1.87 0.13 0.00 -0.57 0.00 0.00 43.02 41.04 3inn s PHE 62 CO 0.24 -0.15 1.10 0.20 -0.10 0.00 0.00 175.22 176.51 3inn s GLY 63 N 0.32 1.60 0.42 4.36 0.00 -1.26 -4.95 107.32 107.81 3inn s GLY 63 Ca -0.09 -0.24 0.08 0.00 0.00 0.00 0.00 44.72 44.48 3inn s GLY 63 CO 0.05 0.28 2.07 0.00 0.00 0.00 0.00 173.10 175.49 3inn h ALA 64 N -1.52 1.74 -0.52 3.20 0.00 -1.97 -2.83 119.26 117.37 3inn h ALA 64 Ca -0.50 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.08 3inn h ALA 64 Cb 1.30 -0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 3inn h ALA 64 CO 0.57 0.24 -0.00 0.09 0.00 0.00 0.00 179.25 180.15 3inn n ASN 65 N -4.48 3.27 0.00 0.00 5.03 -1.26 -4.98 115.26 112.84 3inn n ASN 65 Ca 0.03 -3.78 0.00 0.00 0.87 0.00 0.00 54.58 51.70 3inn n ASN 65 Cb 0.07 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.17 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 -1.07 3.96 -0.88 3.52 1.02 -1.07 -5.03 120.64 121.09 3inn n GLU 66 Ca 0.40 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.46 3inn n GLU 66 Cb 1.07 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 32.70 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 2.89 -0.20 1.62 5.75 -1.26 -4.68 116.55 120.67 3inn n ASP 67 Ca 0.00 -3.68 -0.04 0.00 -0.01 0.00 0.00 54.79 51.06 3inn n ASP 67 Cb 0.00 -0.68 0.06 0.00 -1.03 0.00 0.00 41.12 39.48 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 1.11 0.53 -0.96 -2.12 5.85 -1.96 0.17 115.31 117.92 3inn h LEU 68 Ca 0.29 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.06 3inn h LEU 68 Cb 1.91 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.79 3inn h LEU 68 CO 0.53 0.36 0.63 1.23 -0.34 0.00 0.00 178.44 180.85 3inn h GLY 69 N 0.65 1.40 -1.77 3.75 0.00 -1.99 -3.19 103.07 101.92 3inn h GLY 69 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3inn h GLY 69 CO -0.13 0.42 0.00 -0.96 0.00 0.00 0.00 176.54 175.87 3inn n ARG 70 N -4.47 2.11 -1.66 4.80 1.85 -0.92 -4.98 116.66 113.39 3inn n ARG 70 Ca 0.13 -1.96 -0.46 0.00 -1.00 0.00 0.00 57.85 54.55 3inn n ARG 70 Cb 0.08 -1.40 -0.04 0.00 -1.05 0.00 0.00 32.46 30.06 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 1.11 2.18 -2.09 2.89 9.36 0.55 -4.85 117.16 126.31 3inn n TYR 71 Ca 0.15 0.33 -0.41 0.00 3.32 0.00 0.00 57.90 61.29 3inn n TYR 71 Cb 0.50 -2.51 -0.02 0.00 -0.63 0.00 0.00 39.34 36.68 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 0.64 4.32 -0.02 2.98 0.04 -1.26 -5.02 135.00 136.67 3inn s PRO 72 Ca 0.77 2.24 0.00 0.00 0.04 0.00 0.00 61.00 64.05 3inn s PRO 72 Cb -0.70 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 30.82 3inn s PRO 72 CO 0.41 -0.22 0.02 1.03 0.04 0.00 0.00 177.00 178.27 3inn s ARG 73 N -1.84 0.05 -0.45 4.56 0.52 -1.26 -4.48 118.95 116.06 3inn s ARG 73 Ca 0.50 0.14 0.05 0.00 -0.52 0.00 0.00 55.73 55.90 3inn s ARG 73 Cb -0.40 -0.29 0.19 0.00 0.52 0.00 0.00 34.95 34.97 3inn s ARG 73 CO 0.53 -0.14 0.74 0.34 0.02 0.00 0.00 175.30 176.79 3inn s ASP 74 N 0.94 -1.33 0.15 0.23 -1.08 -1.26 -5.02 116.67 109.30 3inn s ASP 74 Ca -0.08 -1.15 -0.10 0.00 -0.52 0.00 0.00 52.55 50.70 3inn s ASP 74 Cb -0.12 1.72 -0.03 0.00 -1.46 0.00 0.00 42.92 43.03 3inn s ASP 74 CO -0.02 -0.09 1.45 0.25 0.52 0.00 0.00 175.17 177.27 3inn h LEU 75 N 5.78 0.92 -0.30 -1.34 5.85 -1.98 -1.00 115.31 123.24 3inn h LEU 75 Ca 0.05 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.36 3inn h LEU 75 Cb 1.15 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 3inn h LEU 75 CO 0.03 1.25 -0.08 -0.08 -0.34 0.00 0.00 178.44 179.22 3inn h GLU 76 N 0.66 -0.01 0.12 1.25 4.81 -1.99 0.40 114.58 119.82 3inn h GLU 76 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3inn h GLU 76 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3inn h GLU 76 CO 0.11 -0.01 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.24 3inn h ARG 77 N -0.01 -0.15 -0.80 1.92 2.43 -1.95 -1.69 114.38 114.13 3inn h ARG 77 Ca 0.15 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.50 3inn h ARG 77 Cb 0.23 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.70 3inn h ARG 77 CO -0.32 0.04 0.28 -0.44 -1.51 0.00 0.00 179.97 178.03 3inn h ASP 78 N -0.32 0.18 -0.40 -3.80 3.32 -0.95 -1.44 116.42 113.01 3inn h ASP 78 Ca -0.02 0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 3inn h ASP 78 Cb 0.26 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3inn h ASP 78 CO 0.03 0.01 -0.23 0.00 -1.72 0.00 0.00 179.24 177.32 3inn h ALA 79 N 1.63 0.75 -0.52 3.45 0.00 0.11 -2.15 119.26 122.53 3inn h ALA 79 Ca 0.47 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3inn h ALA 79 Cb 0.81 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3inn h ALA 79 CO -0.49 0.66 0.33 0.78 0.00 0.00 0.00 179.25 180.53 3inn h GLY 80 N 0.90 0.73 1.01 0.00 0.00 -0.35 0.02 103.07 105.39 3inn h GLY 80 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3inn h GLY 80 CO 0.07 0.24 0.54 1.41 0.00 0.00 0.00 176.54 178.80 3inn h LEU 81 N 0.67 0.99 -0.31 3.11 3.38 -1.27 -2.24 115.31 119.65 3inn h LEU 81 Ca 0.20 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 3inn h LEU 81 Cb -0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3inn h LEU 81 CO -0.06 0.74 -0.68 -0.07 0.09 0.00 0.00 178.44 178.45 3inn h LEU 82 N 1.16 0.79 -0.23 1.67 3.38 -1.07 -1.38 115.31 119.63 3inn h LEU 82 Ca 0.31 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3inn h LEU 82 Cb -0.10 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.35 3inn h LEU 82 CO -0.06 1.25 -0.46 0.45 0.09 0.00 0.00 178.44 179.71 3inn h HIS 83 N 0.49 -1.36 -0.99 1.13 3.86 -0.88 -2.36 115.15 115.04 3inn h HIS 83 Ca -0.02 0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3inn h HIS 83 Cb 1.28 0.63 -0.06 0.00 1.06 0.00 0.00 27.41 30.31 3inn h HIS 83 CO 0.07 -0.49 0.64 -0.44 0.86 0.00 0.00 177.93 178.57 3inn h ASP 84 N -0.46 1.04 0.00 2.45 3.32 -1.33 -0.29 116.42 121.15 3inn h ASP 84 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3inn h ASP 84 Cb 0.63 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3inn h ASP 84 CO -0.48 0.68 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 3inn n ALA 85 N -2.36 2.05 -2.73 3.45 0.00 -0.53 -4.85 120.51 115.53 3inn n ALA 85 Ca 0.14 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 3inn n ALA 85 Cb 0.15 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.89 -3.31 -2.37 0.00 1.13 -0.12 -4.95 117.38 106.86 3inn n GLN 86 Ca 0.09 0.74 -0.41 0.00 -1.94 0.00 0.00 57.00 55.49 3inn n GLN 86 Cb 0.04 -5.20 -0.04 0.00 0.11 0.00 0.00 30.24 25.16 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 -3.00 3.41 -0.05 5.09 1.01 -0.93 -4.91 120.40 121.03 3inn s VAL 87 Ca 0.19 1.30 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 3inn s VAL 87 Cb -0.08 -3.83 -0.23 0.00 0.00 0.00 0.00 36.38 32.23 3inn s VAL 87 CO 0.23 0.26 1.04 0.44 0.00 0.00 0.00 175.10 177.07 3inn h ASP 88 N 4.43 0.25 -3.47 3.32 3.32 -1.76 -3.38 116.42 119.14 3inn h ASP 88 Ca -0.46 -0.77 -0.48 0.00 0.02 0.00 0.00 57.03 55.34 3inn h ASP 88 Cb 1.21 -0.08 -0.33 0.00 0.22 0.00 0.00 39.33 40.35 3inn h ASP 88 CO 0.70 0.99 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.11 3inn s TYR 89 N -3.14 1.23 -0.34 4.55 2.02 -1.01 -0.99 117.35 119.67 3inn s TYR 89 Ca -0.16 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.01 3inn s TYR 89 Cb 0.01 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 3inn s TYR 89 CO 0.75 -0.24 0.19 -1.17 -1.57 0.00 0.00 175.55 173.52 3inn s LEU 90 N 0.68 4.44 -0.47 -1.29 2.96 -0.44 -1.31 118.68 123.25 3inn s LEU 90 Ca -0.13 -0.68 -0.22 0.00 -0.22 0.00 0.00 54.13 52.88 3inn s LEU 90 Cb -0.15 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.53 3inn s LEU 90 CO 0.03 -0.28 0.75 0.12 -1.32 0.00 0.00 176.35 175.65 3inn s PHE 91 N 1.62 2.99 -0.58 5.38 5.36 0.50 -0.57 117.98 132.68 3inn s PHE 91 Ca 0.04 -0.00 0.06 0.00 -0.96 0.00 0.00 56.93 56.07 3inn s PHE 91 Cb -0.18 -3.63 0.24 0.00 -0.34 0.00 0.00 43.02 39.11 3inn s PHE 91 CO 0.07 -1.02 0.67 0.00 -1.46 0.00 0.00 175.22 173.48 3inn n ALA 92 N 6.65 3.60 -1.83 11.12 0.00 -0.16 -0.78 120.51 139.11 3inn n ALA 92 Ca 0.00 -4.39 -0.32 0.00 0.00 0.00 0.00 53.44 48.73 3inn n ALA 92 Cb 0.48 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.04 4.07 0.74 0.00 0.04 -1.25 -4.63 135.00 131.94 3inn s PRO 93 Ca 0.38 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 3inn s PRO 93 Cb 0.14 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.56 3inn s PRO 93 CO -0.05 -0.16 1.13 0.95 0.04 0.00 0.00 177.00 178.90 3inn s THR 94 N -2.43 2.98 0.28 1.26 -4.23 -1.26 -4.82 115.64 107.42 3inn s THR 94 Ca 0.60 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.44 3inn s THR 94 Cb -0.10 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.70 3inn s THR 94 CO 0.23 -0.41 1.70 0.58 -0.54 0.00 0.00 174.62 176.18 3inn h VAL 95 N -0.80 0.52 -0.47 2.29 2.07 -1.95 -1.41 116.25 116.51 3inn h VAL 95 Ca -0.45 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3inn h VAL 95 Cb 1.28 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3inn h VAL 95 CO 0.65 0.08 0.24 0.28 0.02 0.00 0.00 177.57 178.83 3inn h SER 96 N 0.41 0.58 0.85 0.57 0.02 -1.94 0.27 113.55 114.31 3inn h SER 96 Ca 0.52 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 61.24 3inn h SER 96 Cb 0.93 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 3inn h SER 96 CO -0.50 0.48 -0.87 0.44 -1.14 0.00 0.00 176.83 175.25 3inn h ASP 97 N 0.65 0.01 0.13 3.07 3.32 -1.61 -3.09 116.42 118.90 3inn h ASP 97 Ca 0.17 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 56.87 3inn h ASP 97 Cb 0.05 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3inn h ASP 97 CO -0.02 0.87 -1.80 0.24 -1.72 0.00 0.00 179.24 176.81 3inn h MET 98 N 0.00 0.27 -2.34 3.56 2.86 -0.93 -3.43 114.93 114.92 3inn h MET 98 Ca -0.01 -0.46 -0.59 0.00 -2.06 0.00 0.00 59.70 56.58 3inn h MET 98 Cb 1.53 0.17 -0.41 0.00 0.06 0.00 0.00 31.60 32.95 3inn h MET 98 CO 0.11 1.22 -0.74 0.66 1.06 0.00 0.00 176.91 179.22 3inn n TYR 99 N -3.66 2.27 0.28 -0.22 4.01 0.92 -4.95 117.16 115.81 3inn n TYR 99 Ca -0.30 -3.98 0.15 0.00 -0.16 0.00 0.00 57.90 53.62 3inn n TYR 99 Cb 1.00 -0.45 0.82 0.00 -0.31 0.00 0.00 39.34 40.40 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 4.50 0.00 -5.32 -0.72 0.13 -1.72 -3.41 132.00 125.45 3inn h PRO 100 Ca 0.17 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.90 3inn h PRO 100 Cb 0.75 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.71 3inn h PRO 100 CO 0.69 0.07 -0.75 1.03 -0.23 0.00 0.00 178.00 178.82 3inn s ARG 101 N -4.17 1.04 0.24 0.86 0.52 -1.26 -5.03 118.95 111.15 3inn s ARG 101 Ca -0.03 -1.30 -0.32 0.00 -0.52 0.00 0.00 55.73 53.56 3inn s ARG 101 Cb 0.13 -0.83 -0.13 0.00 0.52 0.00 0.00 34.95 34.64 3inn s ARG 101 CO 0.55 0.15 1.59 -2.30 0.02 0.00 0.00 175.30 175.30 3inn n PRO 102 N 0.32 2.48 -2.14 3.54 -0.02 -1.26 -4.89 135.00 133.01 3inn n PRO 102 Ca -0.14 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3inn n PRO 102 Cb 0.58 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 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 0.21 4.33 0.00 -0.52 -1.94 -1.26 -4.90 119.30 115.21 3inn s MET 103 Ca 0.70 2.12 0.13 0.00 -1.71 0.00 0.00 55.69 56.94 3inn s MET 103 Cb -0.57 -3.20 -0.08 0.00 2.01 0.00 0.00 34.83 32.99 3inn s MET 103 CO 0.43 -0.39 0.64 1.04 -0.01 0.00 0.00 175.02 176.72 3inn n GLN 104 N 3.29 2.39 -3.89 2.03 6.02 -1.26 -5.00 117.38 120.95 3inn n GLN 104 Ca 0.09 -0.30 -0.33 0.00 -0.01 0.00 0.00 57.00 56.45 3inn n GLN 104 Cb 0.42 -1.14 -0.05 0.00 1.02 0.00 0.00 30.24 30.49 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 -1.98 5.42 -0.01 5.09 2.01 -1.26 -5.11 115.64 119.80 3inn s THR 105 Ca 0.08 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.93 3inn s THR 105 Cb 0.10 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 69.08 3inn s THR 105 CO 0.45 0.31 0.01 0.54 -0.69 0.00 0.00 174.62 175.24 3inn s VAL 106 N -1.34 0.01 -0.10 3.82 0.11 -1.26 -5.08 120.40 116.57 3inn s VAL 106 Ca 0.28 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.40 3inn s VAL 106 Cb -0.13 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 3inn s VAL 106 CO 0.19 0.06 0.01 -0.69 -3.33 0.00 0.00 175.10 171.35 3inn s VAL 107 N 0.61 4.40 0.05 2.04 1.01 -1.26 -5.03 120.40 122.22 3inn s VAL 107 Ca -0.05 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 3inn s VAL 107 Cb -0.08 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3inn s VAL 107 CO -0.02 0.58 0.34 -0.62 0.00 0.00 0.00 175.10 175.39 3inn s ASP 108 N -0.66 -0.18 -0.49 3.32 -1.08 -1.26 -3.68 116.67 112.64 3inn s ASP 108 Ca 0.11 -0.15 0.08 0.00 -0.52 0.00 0.00 52.55 52.07 3inn s ASP 108 Cb -0.12 0.38 0.29 0.00 -1.46 0.00 0.00 42.92 42.01 3inn s ASP 108 CO 0.02 -0.65 0.71 0.52 0.52 0.00 0.00 175.17 176.29 3inn n VAL 109 N 0.50 0.96 -0.35 1.11 0.31 -1.26 -5.01 118.33 114.59 3inn n VAL 109 Ca -0.18 -4.76 0.16 0.00 -0.01 0.00 0.00 64.34 59.55 3inn n VAL 109 Cb 0.60 -1.54 0.37 0.00 -0.91 0.00 0.00 33.84 32.35 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 3.66 0.62 0.14 5.55 0.11 -1.98 -0.14 132.00 139.95 3inn h PRO 110 Ca 0.12 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.21 3inn h PRO 110 Cb 0.77 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3inn h PRO 110 CO 0.64 0.41 -0.18 -1.35 -0.21 0.00 0.00 178.00 177.31 3inn h PRO 111 N 0.64 -0.35 0.00 1.05 0.11 -2.01 -2.22 132.00 129.22 3inn h PRO 111 Ca 0.63 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.69 3inn h PRO 111 Cb 1.13 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3inn h PRO 111 CO -0.45 -0.23 -0.32 -0.07 -0.21 0.00 0.00 178.00 176.72 3inn h LEU 112 N -0.36 0.00 0.00 2.35 3.38 -1.63 -3.34 115.31 115.71 3inn h LEU 112 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3inn h LEU 112 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3inn h LEU 112 CO -0.07 0.32 -1.22 0.61 0.09 0.00 0.00 178.44 178.16 3inn n GLY 113 N 0.24 -1.06 0.03 0.83 0.00 -0.16 -4.35 105.19 100.72 3inn n GLY 113 Ca 0.00 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.62 3inn n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3inn n ASN 114 N -1.79 0.57 -4.92 1.61 3.02 -0.85 -4.16 115.26 108.73 3inn n ASN 114 Ca 0.02 -0.03 -0.22 0.00 -0.03 0.00 0.00 54.58 54.31 3inn n ASN 114 Cb 0.41 0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3inn n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3inn s GLN 115 N -3.09 2.42 6.62 3.52 -2.07 -1.26 -2.63 119.66 123.16 3inn s GLN 115 Ca 0.09 -1.69 0.00 0.00 -1.82 0.00 0.00 55.36 51.93 3inn s GLN 115 Cb 0.15 -2.36 0.00 0.00 -1.09 0.00 0.00 33.01 29.72 3inn s GLN 115 CO 0.71 -0.45 0.00 -0.89 -1.32 0.00 0.00 175.29 173.33 3inn n ILE 116 N -1.76 0.00 0.22 3.63 5.41 -1.26 -1.59 119.36 124.01 3inn n ILE 116 Ca 0.04 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.93 3inn n ILE 116 Cb 0.62 0.00 0.77 0.00 -0.71 0.00 0.00 39.64 40.33 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 -1.93 0.11 114.58 117.95 3inn h GLU 117 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 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 0.00 0.00 0.78 -0.73 0.00 0.00 179.01 179.06 3inn h GLY 118 N 0.00 0.00 0.57 1.92 0.00 -1.46 0.10 103.07 104.20 3inn h GLY 118 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3inn h GLY 118 CO -0.00 0.00 -0.12 1.05 0.00 0.00 0.00 176.54 177.47 3inn h GLU 119 N 0.00 0.17 -0.00 4.80 9.09 -0.72 -3.23 114.58 124.69 3inn h GLU 119 Ca 0.00 -0.11 -0.10 0.00 0.05 0.00 0.00 59.36 59.20 3inn h GLU 119 Cb 0.62 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.73 3inn h GLU 119 CO 0.00 0.71 -0.45 0.00 0.05 0.00 0.00 179.01 179.31 3inn h ALA 120 N 0.47 1.25 -2.62 1.06 0.00 -1.46 -3.38 119.26 114.57 3inn h ALA 120 Ca 0.00 -0.41 -0.60 0.00 0.00 0.00 0.00 54.91 53.90 3inn h ALA 120 Cb 0.70 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.02 3inn h ALA 120 CO 0.03 0.57 -0.78 0.54 0.00 0.00 0.00 179.25 179.60 3inn n ARG 121 N -4.00 1.13 -1.95 0.00 1.74 0.33 -5.11 116.66 108.80 3inn n ARG 121 Ca -0.02 -3.87 -0.42 0.00 -0.77 0.00 0.00 57.85 52.78 3inn n ARG 121 Cb 0.48 -1.95 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 3inn n ARG 121 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3inn s PRO 122 N -0.91 4.22 0.00 5.56 0.04 -1.22 -1.87 135.00 140.81 3inn s PRO 122 Ca 0.30 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.69 3inn s PRO 122 Cb 0.03 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3inn s PRO 122 CO -0.16 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.68 3inn n GLY 123 N 3.76 2.44 0.16 0.56 0.00 -1.26 -4.95 105.19 105.90 3inn n GLY 123 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.24 0.00 1.61 6.17 -1.68 -1.76 115.15 119.25 3inn h HIS 124 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 3inn h HIS 124 Cb 0.00 0.15 -0.00 0.00 2.52 0.00 0.00 27.41 30.08 3inn h HIS 124 CO 0.00 -0.17 -0.05 0.74 0.71 0.00 0.00 177.93 179.16 3inn h PHE 125 N -0.06 0.00 -0.54 5.26 -1.00 -1.85 -1.74 116.94 117.02 3inn h PHE 125 Ca 0.14 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.84 3inn h PHE 125 Cb 0.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 3inn h PHE 125 CO -0.30 0.05 0.03 0.00 -1.61 0.00 0.00 178.31 176.49 3inn h ALA 126 N 1.95 1.04 -0.61 2.45 0.00 -1.57 0.16 119.26 122.68 3inn h ALA 126 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3inn h ALA 126 Cb 0.95 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3inn h ALA 126 CO 0.01 0.60 0.19 0.78 0.00 0.00 0.00 179.25 180.83 3inn h GLY 127 N 1.00 1.02 0.84 0.00 0.00 -0.56 -0.58 103.07 104.79 3inn h GLY 127 Ca 0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3inn h GLY 127 CO 0.02 0.56 -0.06 -2.08 0.00 0.00 0.00 176.54 174.98 3inn h VAL 128 N 0.87 1.29 -0.37 4.60 2.07 -1.10 -1.88 116.25 121.73 3inn h VAL 128 Ca 0.20 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 3inn h VAL 128 Cb 0.29 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3inn h VAL 128 CO -0.01 0.33 -0.18 0.00 0.02 0.00 0.00 177.57 177.74 3inn h ALA 129 N 0.76 1.00 0.42 1.67 0.00 -0.60 -0.93 119.26 121.57 3inn h ALA 129 Ca 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3inn h ALA 129 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3inn h ALA 129 CO 0.03 0.59 -0.20 1.15 0.00 0.00 0.00 179.25 180.82 3inn h THR 130 N 0.61 0.54 -0.47 0.00 2.02 -1.05 -1.54 112.91 113.03 3inn h THR 130 Ca 0.10 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3inn h THR 130 Cb 0.64 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3inn h THR 130 CO 0.05 0.07 0.18 1.62 0.37 0.00 0.00 175.52 177.80 3inn h VAL 131 N -0.82 1.18 -0.22 3.16 3.04 -1.24 -1.98 116.25 119.37 3inn h VAL 131 Ca -0.06 -0.58 -0.12 0.00 -1.01 0.00 0.00 66.70 64.94 3inn h VAL 131 Cb 0.54 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3inn h VAL 131 CO 0.09 0.22 -0.33 0.58 -1.01 0.00 0.00 177.57 177.13 3inn h VAL 132 N 0.67 1.32 -1.01 1.51 2.07 -1.17 0.17 116.25 119.82 3inn h VAL 132 Ca 0.16 -1.54 0.09 0.00 0.82 0.00 0.00 66.70 66.23 3inn h VAL 132 Cb 0.15 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3inn h VAL 132 CO -0.01 0.48 0.64 0.28 0.02 0.00 0.00 177.57 178.98 3inn h SER 133 N 0.30 1.00 -0.16 0.57 0.02 -1.02 -0.90 113.55 113.36 3inn h SER 133 Ca 0.02 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3inn h SER 133 Cb 0.91 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 3inn h SER 133 CO 0.08 0.59 -0.19 0.50 -1.14 0.00 0.00 176.83 176.67 3inn h LYS 134 N 1.11 0.41 -0.97 3.45 3.64 -0.92 -1.61 116.57 121.68 3inn h LYS 134 Ca 0.46 -0.23 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 3inn h LYS 134 Cb 0.30 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 3inn h LYS 134 CO -0.21 0.80 0.62 -0.07 -2.27 0.00 0.00 179.45 178.32 3inn h LEU 135 N 0.05 1.00 -0.54 5.20 3.38 -0.34 -0.44 115.31 123.62 3inn h LEU 135 Ca 0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3inn h LEU 135 Cb 0.74 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3inn h LEU 135 CO 0.05 0.64 -0.11 -0.26 0.09 0.00 0.00 178.44 178.85 3inn h PHE 136 N 1.14 1.15 -0.85 1.13 0.04 -1.10 -0.01 116.94 118.44 3inn h PHE 136 Ca 0.41 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 3inn h PHE 136 Cb 0.14 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 3inn h PHE 136 CO -0.01 1.06 0.45 -0.91 -0.60 0.00 0.00 178.31 178.31 3inn h ASN 137 N 0.91 1.08 0.02 2.17 2.35 -0.52 0.88 115.58 122.47 3inn h ASN 137 Ca 0.14 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3inn h ASN 137 Cb 0.68 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3inn h ASN 137 CO 0.05 0.88 -0.01 0.40 -1.65 0.00 0.00 177.43 177.10 3inn h ILE 138 N 1.20 1.18 0.12 2.81 2.04 -0.86 -3.36 117.51 120.62 3inn h ILE 138 Ca 0.30 -0.62 -0.32 0.00 1.00 0.00 0.00 64.86 65.22 3inn h ILE 138 Cb 0.05 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3inn h ILE 138 CO -0.05 0.16 -1.64 0.58 0.00 0.00 0.00 178.15 177.20 3inn h VAL 139 N -0.30 1.02 -5.86 1.67 2.07 -0.97 -3.43 116.25 110.45 3inn h VAL 139 Ca -0.00 -2.68 -0.37 0.00 0.82 0.00 0.00 66.70 64.46 3inn h VAL 139 Cb 0.28 2.69 0.12 0.00 -1.52 0.00 0.00 31.29 32.86 3inn h VAL 139 CO 0.01 0.80 -0.82 0.61 0.02 0.00 0.00 177.57 178.19 3inn n GLY 140 N 1.73 -0.44 3.84 2.17 0.00 0.30 -4.97 105.19 107.82 3inn n GLY 140 Ca -0.20 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.58 2.96 0.02 1.61 0.04 -1.26 -4.92 135.00 127.87 3inn s PRO 141 Ca 0.07 0.75 -0.13 0.00 0.04 0.00 0.00 61.00 61.74 3inn s PRO 141 Cb -0.02 -2.01 -0.33 0.00 0.04 0.00 0.00 34.50 32.18 3inn s PRO 141 CO 0.78 -1.03 0.93 -0.44 0.04 0.00 0.00 177.00 177.28 3inn h ASP 142 N -0.66 0.72 -4.05 6.66 3.32 -1.03 -3.42 116.42 117.96 3inn h ASP 142 Ca -0.45 -0.84 -0.19 0.00 0.02 0.00 0.00 57.03 55.57 3inn h ASP 142 Cb 1.22 -0.23 -0.25 0.00 0.22 0.00 0.00 39.33 40.28 3inn h ASP 142 CO 0.60 1.67 -0.57 0.00 -1.72 0.00 0.00 179.24 179.22 3inn s ALA 143 N -2.60 -0.27 0.06 3.45 0.00 -0.93 -0.45 121.76 121.02 3inn s ALA 143 Ca -0.10 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.12 3inn s ALA 143 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3inn s ALA 143 CO 0.91 -0.09 -0.18 0.00 0.00 0.00 0.00 175.76 176.40 3inn s ALA 144 N -0.28 1.55 -0.18 0.00 0.00 0.05 -1.15 121.76 121.76 3inn s ALA 144 Ca -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3inn s ALA 144 Cb -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.86 3inn s ALA 144 CO 0.00 0.32 -0.18 0.71 0.00 0.00 0.00 175.76 176.61 3inn s TYR 145 N -0.93 2.69 0.08 0.00 1.51 -0.60 -0.63 117.35 119.47 3inn s TYR 145 Ca 0.05 -1.61 0.08 0.00 -1.01 0.00 0.00 57.07 54.57 3inn s TYR 145 Cb -0.09 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 3inn s TYR 145 CO 0.02 -0.79 -0.20 -0.06 -1.11 0.00 0.00 175.55 173.41 3inn s PHE 146 N 1.32 1.75 0.12 2.71 0.08 -0.33 -4.39 117.98 119.25 3inn s PHE 146 Ca 0.04 -0.40 -0.24 0.00 0.12 0.00 0.00 56.93 56.45 3inn s PHE 146 Cb -0.13 -0.99 -0.07 0.00 -0.57 0.00 0.00 43.02 41.25 3inn s PHE 146 CO -0.12 0.16 0.73 0.20 -0.10 0.00 0.00 175.22 176.08 3inn s GLY 147 N -1.62 2.85 0.38 4.36 0.00 -1.26 -1.34 107.32 110.69 3inn s GLY 147 Ca 0.06 0.28 0.28 0.00 0.00 0.00 0.00 44.72 45.34 3inn s GLY 147 CO 0.03 0.82 1.83 0.83 0.00 0.00 0.00 173.10 176.62 3inn h GLU 148 N 4.62 0.00 -0.76 2.90 5.08 -1.63 -2.89 114.58 121.90 3inn h GLU 148 Ca -0.47 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3inn h GLU 148 Cb 1.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 3inn h GLU 148 CO 0.66 0.00 0.50 -0.22 -1.00 0.00 0.00 179.01 178.95 3inn h LYS 149 N 0.00 0.74 -3.35 2.33 3.64 -1.92 -2.90 116.57 115.10 3inn h LYS 149 Ca 0.00 -0.04 -0.79 0.00 -1.27 0.00 0.00 60.65 58.54 3inn h LYS 149 Cb 0.24 -0.17 -0.25 0.00 -0.41 0.00 0.00 32.23 31.65 3inn h LYS 149 CO 0.00 0.49 0.99 -0.25 -2.27 0.00 0.00 179.45 178.41 3inn n ASP 150 N -4.49 5.86 -0.02 4.20 8.00 -1.09 -4.55 116.55 124.46 3inn n ASP 150 Ca 0.12 -3.23 -0.17 0.00 0.71 0.00 0.00 54.79 52.22 3inn n ASP 150 Cb 0.26 -1.36 -0.08 0.00 -0.02 0.00 0.00 41.12 39.92 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 5.94 0.96 -0.52 1.24 3.57 -1.73 -1.90 116.94 124.49 3inn h PHE 151 Ca 0.24 -0.43 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3inn h PHE 151 Cb 0.70 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3inn h PHE 151 CO 1.00 1.24 0.30 0.37 -2.23 0.00 0.00 178.31 179.00 3inn h GLN 152 N 0.40 0.71 -0.43 1.11 4.15 -1.89 -1.83 115.11 117.34 3inn h GLN 152 Ca -0.05 -0.07 0.09 0.00 0.77 0.00 0.00 58.65 59.39 3inn h GLN 152 Cb 1.33 -0.14 -0.09 0.00 0.21 0.00 0.00 27.48 28.79 3inn h GLN 152 CO 0.14 0.53 -0.15 0.37 -1.93 0.00 0.00 178.83 177.80 3inn h GLN 153 N 0.69 -0.05 -0.31 1.69 4.15 -1.88 -0.83 115.11 118.58 3inn h GLN 153 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3inn h GLN 153 Cb 0.02 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3inn h GLN 153 CO -0.03 -0.03 0.19 1.25 -1.93 0.00 0.00 178.83 178.27 3inn h LEU 154 N -0.05 0.37 -0.67 -2.39 5.85 -1.03 -0.20 115.31 117.18 3inn h LEU 154 Ca 0.21 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3inn h LEU 154 Cb 0.37 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3inn h LEU 154 CO -0.47 0.30 0.43 0.58 -0.34 0.00 0.00 178.44 178.94 3inn h VAL 155 N 0.40 1.18 -0.45 1.05 2.07 -0.92 -0.85 116.25 118.73 3inn h VAL 155 Ca 0.11 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3inn h VAL 155 Cb 0.00 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3inn h VAL 155 CO -0.02 0.18 0.28 0.40 0.02 0.00 0.00 177.57 178.42 3inn h ILE 156 N 0.91 1.13 -0.63 4.57 2.04 -0.81 -1.46 117.51 123.27 3inn h ILE 156 Ca 0.24 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 3inn h ILE 156 Cb -0.08 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3inn h ILE 156 CO -0.05 0.13 0.15 0.40 0.00 0.00 0.00 178.15 178.78 3inn h ILE 157 N 0.60 1.25 -0.50 -0.67 2.04 -0.79 0.78 117.51 120.22 3inn h ILE 157 Ca 0.16 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3inn h ILE 157 Cb -0.02 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3inn h ILE 157 CO -0.03 0.35 0.30 0.03 0.00 0.00 0.00 178.15 178.80 3inn h ARG 158 N 0.92 0.68 -0.07 2.37 3.08 -1.02 0.85 114.38 121.19 3inn h ARG 158 Ca 0.20 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3inn h ARG 158 Cb 0.37 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3inn h ARG 158 CO 0.00 0.49 0.02 -0.09 -1.07 0.00 0.00 179.97 179.32 3inn h ARG 159 N 0.67 0.11 -0.28 0.04 9.65 -0.91 -0.66 114.38 123.00 3inn h ARG 159 Ca 0.18 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.10 3inn h ARG 159 Cb -0.01 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.47 3inn h ARG 159 CO -0.03 0.31 -0.33 1.98 2.80 0.00 0.00 179.97 184.70 3inn h MET 160 N -0.11 -0.30 -0.54 0.20 4.05 -0.72 0.27 114.93 117.79 3inn h MET 160 Ca 0.02 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.54 3inn h MET 160 Cb 0.25 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.06 3inn h MET 160 CO 0.00 -0.20 0.19 0.28 0.23 0.00 0.00 176.91 177.41 3inn h VAL 161 N -0.31 0.81 0.34 -5.77 2.07 -0.75 -0.69 116.25 111.94 3inn h VAL 161 Ca 0.14 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3inn h VAL 161 Cb 0.54 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3inn h VAL 161 CO -0.46 0.07 -0.16 -0.78 0.02 0.00 0.00 177.57 176.26 3inn h ASP 162 N 0.37 -0.39 -0.33 0.57 3.58 -0.67 -1.51 116.42 118.04 3inn h ASP 162 Ca 0.26 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.64 3inn h ASP 162 Cb 0.29 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 3inn h ASP 162 CO -0.27 -0.13 0.22 0.44 -2.88 0.00 0.00 179.24 176.63 3inn h ASP 163 N -0.64 0.29 -0.40 2.28 3.32 -0.33 -2.77 116.42 118.17 3inn h ASP 163 Ca -0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3inn h ASP 163 Cb 0.46 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3inn h ASP 163 CO 0.08 0.21 0.00 0.23 -1.72 0.00 0.00 179.24 178.03 3inn n MET 164 N -4.49 2.41 -3.82 3.56 2.81 -0.28 -4.95 117.12 112.35 3inn n MET 164 Ca 0.03 -2.20 -0.30 0.00 -1.81 0.00 0.00 57.70 53.42 3inn n MET 164 Cb 0.15 -1.45 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 1.25 -1.18 -2.25 3.04 0.00 -0.83 -4.89 120.51 115.65 3inn n ALA 165 Ca 0.17 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 3inn n ALA 165 Cb 0.54 -3.49 -0.03 0.00 0.00 0.00 0.00 19.45 16.48 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 -3.15 3.77 -1.61 0.00 1.01 -0.63 -4.90 121.20 115.70 3inn s ILE 166 Ca 0.60 1.14 -0.10 0.00 0.00 0.00 0.00 60.65 62.29 3inn s ILE 166 Cb -0.32 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 3inn s ILE 166 CO 0.74 -0.00 2.97 -0.81 0.00 0.00 0.00 174.94 177.84 3inn n PRO 167 N 5.37 3.68 -4.56 2.79 -0.04 -1.26 -4.82 135.00 136.17 3inn n PRO 167 Ca 0.13 -2.18 -0.22 0.00 -0.04 0.00 0.00 63.50 61.18 3inn n PRO 167 Cb 0.44 -2.79 -0.14 0.00 -0.04 0.00 0.00 33.50 30.97 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 2.16 1.27 -0.21 0.52 1.01 -1.26 -4.76 120.40 119.13 3inn s VAL 168 Ca 0.70 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 3inn s VAL 168 Cb 0.18 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3inn s VAL 168 CO -0.06 0.18 0.73 -0.60 0.00 0.00 0.00 175.10 175.35 3inn s ARG 169 N -0.85 4.20 -0.14 2.72 3.52 0.41 -4.95 118.95 123.86 3inn s ARG 169 Ca 0.05 0.78 -0.17 0.00 -0.13 0.00 0.00 55.73 56.26 3inn s ARG 169 Cb -0.07 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 3inn s ARG 169 CO 0.01 -0.37 0.41 0.42 -0.81 0.00 0.00 175.30 174.96 3inn s ILE 170 N 2.33 5.23 -0.18 4.11 -1.09 -1.26 -0.77 121.20 129.57 3inn s ILE 170 Ca 0.32 0.79 0.01 0.00 -2.23 0.00 0.00 60.65 59.54 3inn s ILE 170 Cb -0.16 -3.75 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 3inn s ILE 170 CO 0.10 0.33 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.31 3inn s VAL 171 N 0.69 1.79 -0.06 2.92 1.01 0.20 -4.96 120.40 121.98 3inn s VAL 171 Ca 0.22 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 3inn s VAL 171 Cb -0.14 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3inn s VAL 171 CO 0.08 0.34 0.52 -0.83 0.00 0.00 0.00 175.10 175.21 3inn s GLY 172 N 1.37 2.49 -0.10 4.51 0.00 -1.26 -1.18 107.32 113.14 3inn s GLY 172 Ca 0.02 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.66 3inn s GLY 172 CO -0.10 0.69 -0.20 0.14 0.00 0.00 0.00 173.10 173.63 3inn s VAL 173 N 0.11 1.79 0.15 1.40 1.01 -0.45 -4.91 120.40 119.51 3inn s VAL 173 Ca 0.28 -0.85 -0.34 0.00 0.00 0.00 0.00 61.98 61.07 3inn s VAL 173 Cb -0.16 -1.57 -0.15 0.00 0.00 0.00 0.00 36.38 34.49 3inn s VAL 173 CO 0.13 0.50 1.33 -0.62 0.00 0.00 0.00 175.10 176.45 3inn n GLU 174 N 3.77 1.46 -1.56 2.72 1.02 -1.26 -1.64 120.64 125.14 3inn n GLU 174 Ca -0.20 0.52 -0.59 0.00 -0.02 0.00 0.00 57.16 56.87 3inn n GLU 174 Cb 0.52 -2.14 -0.09 0.00 -0.02 0.00 0.00 31.44 29.71 3inn n GLU 174 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3inn n THR 175 N 2.25 0.15 -3.16 2.62 -1.04 -1.26 -4.82 114.28 109.02 3inn n THR 175 Ca 0.16 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.05 61.71 3inn n THR 175 Cb 0.24 -1.00 -0.05 0.00 -1.82 0.00 0.00 70.33 67.70 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 4.77 4.98 0.07 12.58 1.01 -1.26 -5.02 120.40 137.54 3inn s VAL 176 Ca 1.07 1.28 0.09 0.00 0.00 0.00 0.00 61.98 64.43 3inn s VAL 176 Cb -1.22 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 31.17 3inn s VAL 176 CO 0.66 0.35 -0.25 -0.13 0.00 0.00 0.00 175.10 175.73 3inn s ARG 177 N 0.22 1.72 0.93 2.72 0.52 -1.26 -2.55 118.95 121.25 3inn s ARG 177 Ca 0.33 -1.17 -0.11 0.00 -0.52 0.00 0.00 55.73 54.26 3inn s ARG 177 Cb -0.18 -1.99 0.15 0.00 0.52 0.00 0.00 34.95 33.45 3inn s ARG 177 CO 0.17 0.50 1.09 -1.21 0.02 0.00 0.00 175.30 175.87 3inn s GLU 178 N -1.53 0.97 0.07 3.54 2.02 0.99 -4.84 118.70 119.91 3inn s GLU 178 Ca 0.13 1.04 -0.05 0.00 0.02 0.00 0.00 54.97 56.12 3inn s GLU 178 Cb -0.10 -1.76 0.08 0.00 0.10 0.00 0.00 34.13 32.45 3inn s GLU 178 CO 0.04 -2.50 0.44 -3.47 0.02 0.00 0.00 175.26 169.79 3inn n ASP 179 N -4.09 -0.17 -1.22 -0.19 2.03 -1.26 -0.76 116.55 110.88 3inn n ASP 179 Ca 0.08 0.49 0.12 0.00 0.52 0.00 0.00 54.79 56.00 3inn n ASP 179 Cb 0.54 -0.12 0.27 0.00 -0.72 0.00 0.00 41.12 41.10 3inn n ASP 179 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3inn n ASP 180 N -4.42 3.58 0.00 1.67 5.75 -1.26 -4.95 116.55 116.92 3inn n ASP 180 Ca 0.03 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 3inn n ASP 180 Cb 0.12 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 1.56 0.66 3.74 6.12 0.00 0.06 -5.03 105.19 112.31 3inn n GLY 181 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 4.45 0.02 0.99 2.96 -1.26 -4.67 118.68 121.17 3inn s LEU 182 Ca 0.00 2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 55.93 3inn s LEU 182 Cb 0.00 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 3inn s LEU 182 CO 0.00 -0.40 1.74 0.00 -1.32 0.00 0.00 176.35 176.37 3inn s ALA 183 N -0.23 3.64 0.24 5.97 0.00 -1.26 -0.01 121.76 130.11 3inn s ALA 183 Ca 0.53 1.16 -0.31 0.00 0.00 0.00 0.00 51.96 53.33 3inn s ALA 183 Cb -0.34 -3.76 -0.13 0.00 0.00 0.00 0.00 23.12 18.89 3inn s ALA 183 CO 0.39 -1.34 1.48 0.00 0.00 0.00 0.00 175.76 176.29 3inn s SER 185 N 0.43 -0.71 0.29 0.00 0.15 -1.26 -4.94 113.70 107.66 3inn s SER 185 Ca 0.69 1.28 0.02 0.00 0.70 0.00 0.00 55.95 58.64 3inn s SER 185 Cb -0.62 1.30 0.60 0.00 -1.71 0.00 0.00 66.02 65.59 3inn s SER 185 CO 0.48 -0.21 1.83 0.28 1.20 0.00 0.00 173.24 176.81 3inn h SER 186 N 5.38 0.90 0.31 5.45 0.02 -1.91 -0.55 113.55 123.13 3inn h SER 186 Ca -0.29 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3inn h SER 186 Cb 1.18 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3inn h SER 186 CO 0.10 0.45 0.00 0.54 -1.14 0.00 0.00 176.83 176.78 3inn n ARG 187 N -4.64 0.14 0.33 3.45 1.74 -1.26 -2.65 116.66 113.76 3inn n ARG 187 Ca 0.20 0.52 0.19 0.00 -0.77 0.00 0.00 57.85 57.99 3inn n ARG 187 Cb 0.40 -1.86 1.01 0.00 -1.02 0.00 0.00 32.46 30.99 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 0.52 0.55 2.35 -1.49 -0.77 115.58 116.75 3inn h ASN 188 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3inn h ASN 188 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3inn h ASN 188 CO 0.00 0.00 0.00 0.55 -1.65 0.00 0.00 177.43 176.33 3inn n VAL 189 N -3.06 0.49 0.23 2.81 3.14 -1.09 -1.69 118.33 119.15 3inn n VAL 189 Ca -0.02 0.12 0.12 0.00 -2.96 0.00 0.00 64.34 61.60 3inn n VAL 189 Cb 0.23 -0.78 0.32 0.00 -1.06 0.00 0.00 33.84 32.55 3inn n VAL 189 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 3inn h TYR 190 N 0.00 0.00 -3.25 1.45 0.05 -1.40 -3.46 116.97 110.36 3inn h TYR 190 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 3inn h TYR 190 Cb 0.26 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 3inn h TYR 190 CO 0.00 0.07 0.51 -0.51 -1.05 0.00 0.00 178.16 177.18 3inn s LEU 191 N -6.28 4.37 0.95 3.88 1.43 -0.68 -4.90 118.68 117.45 3inn s LEU 191 Ca 0.05 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 3inn s LEU 191 Cb 0.07 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 42.87 3inn s LEU 191 CO 0.64 -0.41 1.09 0.42 0.23 0.00 0.00 176.35 178.32 3inn s THR 192 N 1.10 2.39 0.26 5.49 -4.23 -1.26 -4.77 115.64 114.62 3inn s THR 192 Ca 0.57 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 3inn s THR 192 Cb -0.27 -2.57 0.25 0.00 1.34 0.00 0.00 72.50 71.25 3inn s THR 192 CO 0.28 -0.16 1.83 -0.65 -0.54 0.00 0.00 174.62 175.38 3inn h PRO 193 N -1.76 0.91 -0.19 3.99 0.11 -1.98 0.14 132.00 133.22 3inn h PRO 193 Ca -0.52 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 3inn h PRO 193 Cb 1.30 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3inn h PRO 193 CO 0.55 0.60 0.10 0.93 -0.21 0.00 0.00 178.00 179.97 3inn h GLU 194 N 0.93 0.27 -0.71 1.05 3.07 -1.99 0.04 114.58 117.24 3inn h GLU 194 Ca 0.44 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.22 3inn h GLU 194 Cb 0.38 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 3inn h GLU 194 CO -0.24 0.28 0.25 1.96 -1.40 0.00 0.00 179.01 179.85 3inn h GLN 195 N 0.19 1.10 -0.20 2.33 4.20 -1.85 0.20 115.11 121.09 3inn h GLN 195 Ca 0.07 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 3inn h GLN 195 Cb 0.09 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3inn h GLN 195 CO -0.01 0.93 0.04 -0.09 -0.67 0.00 0.00 178.83 179.02 3inn h ARG 196 N 1.04 0.28 -0.12 1.46 9.65 -0.27 0.30 114.38 126.72 3inn h ARG 196 Ca 0.23 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.89 3inn h ARG 196 Cb 0.27 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3inn h ARG 196 CO -0.01 0.28 -0.64 0.00 2.80 0.00 0.00 179.97 182.40 3inn h ARG 197 N 0.28 0.64 0.00 0.20 -0.00 -0.06 -3.23 114.38 112.22 3inn h ARG 197 Ca 0.07 -0.53 -0.01 0.00 -0.50 0.00 0.00 59.98 59.01 3inn h ARG 197 Cb 0.14 0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.22 3inn h ARG 197 CO -0.00 1.15 -0.04 0.00 0.00 0.00 0.00 179.97 181.07 3inn h ALA 198 N 0.50 1.12 0.00 0.04 0.00 0.70 -3.13 119.26 118.49 3inn h ALA 198 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3inn h ALA 198 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3inn h ALA 198 CO 0.13 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3inn n ALA 199 N -2.17 2.16 0.30 0.00 0.00 0.93 -2.89 120.51 118.85 3inn n ALA 199 Ca -0.02 -0.04 0.19 0.00 0.00 0.00 0.00 53.44 53.57 3inn n ALA 199 Cb 0.20 -1.44 0.93 0.00 0.00 0.00 0.00 19.45 19.14 3inn n ALA 199 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3inn h ILE 200 N 0.00 0.00 -0.76 0.00 2.10 -1.70 -2.36 117.51 114.80 3inn h ILE 200 Ca 0.00 -0.14 0.14 0.00 1.08 0.00 0.00 64.86 65.94 3inn h ILE 200 Cb 0.57 1.03 -0.14 0.00 -1.09 0.00 0.00 36.82 37.19 3inn h ILE 200 CO 0.00 0.00 -0.28 0.40 -1.08 0.00 0.00 178.15 177.19 3inn h ILE 201 N 0.00 0.16 0.22 2.19 2.04 -1.79 -2.69 117.51 117.65 3inn h ILE 201 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3inn h ILE 201 Cb 0.15 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3inn h ILE 201 CO 0.00 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.62 3inn h VAL 202 N -0.06 0.80 -0.67 1.67 2.07 -1.70 0.31 116.25 118.68 3inn h VAL 202 Ca 0.32 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 3inn h VAL 202 Cb 0.57 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3inn h VAL 202 CO -0.80 0.02 0.28 1.55 0.02 0.00 0.00 177.57 178.65 3inn h PRO 203 N -0.33 0.97 -0.37 1.57 0.13 -1.72 -3.00 132.00 129.24 3inn h PRO 203 Ca -0.03 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 3inn h PRO 203 Cb 0.26 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.20 3inn h PRO 203 CO 0.05 0.77 0.14 1.96 -0.23 0.00 0.00 178.00 180.69 3inn h GLN 204 N 0.95 0.56 -0.84 0.86 7.50 -1.05 -2.36 115.11 120.73 3inn h GLN 204 Ca 0.23 -0.11 0.22 0.00 0.50 0.00 0.00 58.65 59.49 3inn h GLN 204 Cb 0.15 -0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.55 3inn h GLN 204 CO -0.02 0.54 0.58 0.00 -1.50 0.00 0.00 178.83 178.43 3inn h ALA 205 N 0.98 2.49 0.17 3.87 0.00 -0.33 0.90 119.26 127.35 3inn h ALA 205 Ca 0.12 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.71 3inn h ALA 205 Cb 0.20 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.04 3inn h ALA 205 CO -0.01 -0.75 -1.33 -0.07 0.00 0.00 0.00 179.25 177.09 3inn h LEU 206 N 0.19 0.87 -1.73 0.00 3.38 -1.31 -2.69 115.31 114.02 3inn h LEU 206 Ca 0.42 -0.84 0.06 0.00 0.09 0.00 0.00 57.88 57.61 3inn h LEU 206 Cb 1.35 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3inn h LEU 206 CO -0.08 1.65 0.29 0.44 0.09 0.00 0.00 178.44 180.82 3inn h ASP 207 N 0.23 0.29 0.32 -0.43 3.32 -0.83 -1.32 116.42 117.99 3inn h ASP 207 Ca -0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3inn h ASP 207 Cb 2.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.50 3inn h ASP 207 CO 0.25 0.19 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.73 3inn h GLU 208 N 0.33 -0.41 0.00 3.56 4.57 -0.73 -2.84 114.58 119.06 3inn h GLU 208 Ca 0.19 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 3inn h GLU 208 Cb 0.33 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3inn h GLU 208 CO -0.04 -0.10 -0.06 0.00 -1.18 0.00 0.00 179.01 177.63 3inn h ALA 209 N -0.18 1.17 0.44 2.92 0.00 -1.38 -0.70 119.26 121.53 3inn h ALA 209 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3inn h ALA 209 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3inn h ALA 209 CO 0.07 0.07 -0.21 0.22 0.00 0.00 0.00 179.25 179.40 3inn h ASP 210 N 0.00 -0.50 0.92 0.00 1.82 -1.09 -1.32 116.42 116.25 3inn h ASP 210 Ca -0.00 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.43 3inn h ASP 210 Cb 0.26 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 3inn h ASP 210 CO 0.01 -0.30 -0.88 0.08 -1.61 0.00 0.00 179.24 176.53 3inn h ARG 211 N -0.67 0.00 0.01 0.28 0.11 -1.23 -0.75 114.38 112.13 3inn h ARG 211 Ca -0.06 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.04 3inn h ARG 211 Cb 0.50 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.55 3inn h ARG 211 CO 0.10 0.88 -0.11 -0.07 0.10 0.00 0.00 179.97 180.87 3inn h LEU 212 N 0.00 -0.33 -0.63 0.08 3.38 -1.19 1.82 115.31 118.45 3inn h LEU 212 Ca -0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3inn h LEU 212 Cb 1.58 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 3inn h LEU 212 CO 0.11 -0.16 0.39 0.22 0.09 0.00 0.00 178.44 179.09 3inn h TYR 213 N -0.20 0.74 0.00 1.13 3.20 -1.17 -1.53 116.97 119.13 3inn h TYR 213 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3inn h TYR 213 Cb 0.25 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3inn h TYR 213 CO -0.17 0.43 -0.08 0.00 -1.64 0.00 0.00 178.16 176.71 3inn h ARG 214 N 0.78 0.00 0.00 1.82 -0.00 -0.49 -2.13 114.38 114.36 3inn h ARG 214 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.73 3inn h ARG 214 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 3inn h ARG 214 CO -0.09 0.08 0.00 -1.13 0.00 0.00 0.00 179.97 178.82 3inn n SER 215 N -4.26 0.75 0.00 7.04 3.41 0.61 -4.90 113.62 116.27 3inn n SER 215 Ca -0.03 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3inn n SER 215 Cb 0.16 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 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 0.43 1.08 3.68 5.00 0.00 -0.80 -5.07 105.19 109.51 3inn n GLY 216 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.69 1.61 -2.81 1.61 0.00 -1.03 -4.97 117.12 109.85 3inn n MET 217 Ca 0.00 0.58 -0.09 0.00 -0.00 0.00 0.00 57.70 58.19 3inn n MET 217 Cb 0.00 -2.34 0.03 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 -0.18 -2.71 -3.50 6.12 -0.08 -1.26 -4.37 116.55 110.58 3inn n ASP 218 Ca 0.09 -3.15 0.01 0.00 -1.51 0.00 0.00 54.79 50.23 3inn n ASP 218 Cb 0.42 1.55 -0.03 0.00 2.34 0.00 0.00 41.12 45.39 3inn n ASP 218 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3inn s ASP 219 N -1.04 -1.08 0.23 1.67 2.15 -1.26 -4.75 116.67 112.58 3inn s ASP 219 Ca 0.32 1.28 -0.16 0.00 0.43 0.00 0.00 52.55 54.42 3inn s ASP 219 Cb 0.17 2.15 0.26 0.00 -0.30 0.00 0.00 42.92 45.20 3inn s ASP 219 CO -0.19 -0.21 1.57 -0.65 -0.17 0.00 0.00 175.17 175.52 3inn h PRO 220 N 7.92 -0.04 -0.04 4.34 0.11 -1.89 0.37 132.00 142.77 3inn h PRO 220 Ca -0.18 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.80 3inn h PRO 220 Cb 1.12 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3inn h PRO 220 CO 0.12 -0.02 -0.55 -0.44 -0.21 0.00 0.00 178.00 176.90 3inn h ASP 221 N -0.04 0.12 0.14 -2.05 3.32 -1.96 -0.00 116.42 115.95 3inn h ASP 221 Ca 0.35 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 3inn h ASP 221 Cb 0.61 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3inn h ASP 221 CO -0.90 0.65 -0.37 0.00 -1.72 0.00 0.00 179.24 176.89 3inn h ALA 222 N 1.36 1.09 -0.31 3.45 0.00 -1.71 0.14 119.26 123.27 3inn h ALA 222 Ca -0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 3inn h ALA 222 Cb 1.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3inn h ALA 222 CO 0.08 0.58 -0.51 1.37 0.00 0.00 0.00 179.25 180.77 3inn h LEU 223 N 0.27 0.99 0.07 0.00 8.10 -0.27 -2.89 115.31 121.57 3inn h LEU 223 Ca 0.03 -0.51 -0.00 0.00 0.11 0.00 0.00 57.88 57.51 3inn h LEU 223 Cb 0.79 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 3inn h LEU 223 CO 0.06 1.31 -0.03 -0.08 -4.11 0.00 0.00 178.44 175.59 3inn h GLU 224 N 0.70 -0.09 -0.63 0.17 4.81 -0.72 -2.44 114.58 116.38 3inn h GLU 224 Ca 0.03 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3inn h GLU 224 Cb 1.12 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3inn h GLU 224 CO 0.12 0.18 0.23 0.00 -0.73 0.00 0.00 179.01 178.81 3inn h ALA 225 N 0.55 1.23 -0.41 2.92 0.00 -1.09 0.21 119.26 122.66 3inn h ALA 225 Ca -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3inn h ALA 225 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3inn h ALA 225 CO 0.02 0.56 0.27 0.00 0.00 0.00 0.00 179.25 180.10 3inn h ALA 226 N 1.34 1.77 0.02 0.00 0.00 -1.49 -2.06 119.26 118.84 3inn h ALA 226 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3inn h ALA 226 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3inn h ALA 226 CO -0.02 0.19 -0.01 -0.84 0.00 0.00 0.00 179.25 178.58 3inn h ILE 227 N 0.50 1.49 0.00 0.00 3.07 -0.76 -2.76 117.51 119.04 3inn h ILE 227 Ca 0.16 -1.78 -0.01 0.00 1.55 0.00 0.00 64.86 64.78 3inn h ILE 227 Cb 0.03 2.65 -0.00 0.00 -0.27 0.00 0.00 36.82 39.23 3inn h ILE 227 CO -0.04 0.44 -0.04 0.03 -1.05 0.00 0.00 178.15 177.50 3inn h ARG 228 N -0.82 0.00 0.02 0.16 3.08 -0.41 -1.33 114.38 115.07 3inn h ARG 228 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 3inn h ARG 228 Cb 0.75 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 3inn h ARG 228 CO 0.00 0.04 -1.87 2.41 -1.07 0.00 0.00 179.97 179.48 3inn n THR 229 N -3.62 1.60 0.04 2.04 -1.04 -0.79 -2.72 114.28 109.79 3inn n THR 229 Ca -0.02 -0.78 0.01 0.00 -2.04 0.00 0.00 64.05 61.22 3inn n THR 229 Cb 0.14 -1.06 0.35 0.00 -1.82 0.00 0.00 70.33 67.93 3inn n THR 229 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3inn h PHE 230 N 0.01 0.44 0.00 -1.42 0.05 -1.02 -2.54 116.94 112.46 3inn h PHE 230 Ca -0.35 -0.04 -0.04 0.00 3.82 0.00 0.00 57.97 61.36 3inn h PHE 230 Cb 2.05 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 39.86 3inn h PHE 230 CO 0.01 0.45 -0.69 -0.84 -0.18 0.00 0.00 178.31 177.06 3inn h ILE 231 N 0.42 0.20 0.00 -0.55 3.07 -1.43 -3.29 117.51 115.93 3inn h ILE 231 Ca 0.09 -1.33 -0.02 0.00 1.55 0.00 0.00 64.86 65.15 3inn h ILE 231 Cb 0.29 1.87 -0.00 0.00 -0.27 0.00 0.00 36.82 38.70 3inn h ILE 231 CO 0.01 0.12 -0.08 1.23 -1.05 0.00 0.00 178.15 178.37 3inn h GLY 232 N 3.88 0.00 0.79 0.16 0.00 -1.25 -2.74 103.07 103.91 3inn h GLY 232 Ca -0.03 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.46 3inn h GLY 232 CO 0.02 0.00 0.45 3.21 0.00 0.00 0.00 176.54 180.22 3inn h ARG 233 N 0.00 0.00 -4.31 4.80 -0.00 -1.59 -3.30 114.38 109.98 3inn h ARG 233 Ca -0.00 0.00 -0.73 0.00 -0.50 0.00 0.00 59.98 58.75 3inn h ARG 233 Cb 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 29.97 29.87 3inn h ARG 233 CO 0.01 0.00 -0.37 -1.14 0.00 0.00 0.00 179.97 178.47 3inn s GLN 234 N -4.84 2.76 0.22 0.04 2.00 -1.03 -5.01 119.66 113.80 3inn s GLN 234 Ca -0.05 -1.53 -0.08 0.00 -2.00 0.00 0.00 55.36 51.70 3inn s GLN 234 Cb 0.18 -4.00 0.34 0.00 0.80 0.00 0.00 33.01 30.33 3inn s GLN 234 CO 0.66 -1.09 1.71 -1.35 -0.50 0.00 0.00 175.29 174.73 3inn h PRO 235 N 8.60 0.32 -1.05 1.67 0.11 -1.81 -3.02 132.00 136.82 3inn h PRO 235 Ca -0.25 -0.02 0.28 0.00 0.11 0.00 0.00 66.00 66.12 3inn h PRO 235 Cb 1.09 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.02 3inn h PRO 235 CO 0.86 0.21 0.66 -0.07 -0.21 0.00 0.00 178.00 179.45 3inn h LEU 236 N 0.32 0.49 -9.23 2.35 3.38 -1.92 -3.42 115.31 107.29 3inn h LEU 236 Ca 0.34 0.11 -0.55 0.00 0.09 0.00 0.00 57.88 57.87 3inn h LEU 236 Cb 0.51 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3inn h LEU 236 CO -0.40 0.05 1.10 0.00 0.09 0.00 0.00 178.44 179.28 3inn s ALA 237 N -5.55 3.56 -0.82 1.53 0.00 -1.14 -4.32 121.76 115.01 3inn s ALA 237 Ca -0.09 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.75 3inn s ALA 237 Cb 0.26 -3.76 0.25 0.00 0.00 0.00 0.00 23.12 19.87 3inn s ALA 237 CO 0.80 -1.49 0.93 0.28 0.00 0.00 0.00 175.76 176.28 3inn n VAL 238 N 5.63 3.25 -1.71 0.00 0.31 0.15 -4.94 118.33 121.02 3inn n VAL 238 Ca 0.18 -5.36 -0.57 0.00 -0.01 0.00 0.00 64.34 58.58 3inn n VAL 238 Cb 0.43 -2.17 -0.07 0.00 -0.91 0.00 0.00 33.84 31.12 3inn n VAL 238 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3inn n PRO 239 N 1.40 1.25 0.01 5.55 -0.02 -1.26 -3.41 135.00 138.52 3inn n PRO 239 Ca 0.26 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 3inn n PRO 239 Cb 0.38 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 3inn n PRO 239 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3inn n GLU 240 N 5.51 0.26 -3.66 -0.52 1.02 -0.56 -4.90 120.64 117.79 3inn n GLU 240 Ca 0.26 -0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 3inn n GLU 240 Cb 0.14 -1.54 -0.07 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 -3.20 -0.44 -0.19 2.62 1.01 -0.88 -4.89 120.40 114.44 3inn s VAL 241 Ca 0.03 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3inn s VAL 241 Cb 0.15 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.71 3inn s VAL 241 CO 0.85 0.02 -0.17 -0.63 0.00 0.00 0.00 175.10 175.17 3inn s ILE 242 N 2.17 1.99 -0.05 2.22 -1.09 -1.26 -0.08 121.20 125.10 3inn s ILE 242 Ca -0.07 -1.02 0.02 0.00 -2.23 0.00 0.00 60.65 57.35 3inn s ILE 242 Cb -0.09 -1.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.93 3inn s ILE 242 CO -0.17 0.41 -0.09 0.00 -1.23 0.00 0.00 174.94 173.86 3inn s ALA 243 N 1.29 1.01 -0.20 9.38 0.00 0.40 -5.00 121.76 128.63 3inn s ALA 243 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 3inn s ALA 243 Cb -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3inn s ALA 243 CO -0.11 0.09 -0.12 0.42 0.00 0.00 0.00 175.76 176.04 3inn s ILE 244 N 0.62 2.67 0.07 0.00 -1.09 -1.26 -0.80 121.20 121.41 3inn s ILE 244 Ca -0.11 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.43 3inn s ILE 244 Cb -0.14 -2.20 0.01 0.00 -1.58 0.00 0.00 42.46 38.55 3inn s ILE 244 CO 0.02 0.45 0.23 -0.13 -1.23 0.00 0.00 174.94 174.28 3inn s ARG 245 N 1.37 0.80 0.02 2.79 1.81 -0.53 -4.44 118.95 120.77 3inn s ARG 245 Ca 0.05 -0.75 -0.32 0.00 -1.72 0.00 0.00 55.73 52.99 3inn s ARG 245 Cb -0.14 0.34 -0.10 0.00 -0.45 0.00 0.00 34.95 34.59 3inn s ARG 245 CO -0.08 -0.25 1.91 -3.47 -0.68 0.00 0.00 175.30 172.72 3inn n ASP 246 N 0.28 3.90 0.31 0.23 -0.08 -0.49 -0.56 116.55 120.14 3inn n ASP 246 Ca -0.17 0.94 0.19 0.00 -1.51 0.00 0.00 54.79 54.24 3inn n ASP 246 Cb 0.61 -1.48 0.98 0.00 2.34 0.00 0.00 41.12 43.56 3inn n ASP 246 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3inn h PRO 247 N 9.64 0.00 0.00 -0.67 0.11 -1.89 0.17 132.00 139.36 3inn h PRO 247 Ca -0.49 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.39 3inn h PRO 247 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3inn h PRO 247 CO 0.94 0.03 -1.28 0.39 -0.21 0.00 0.00 178.00 177.87 3inn n GLU 248 N -3.32 0.56 0.00 1.05 1.02 -1.26 -4.49 120.64 114.20 3inn n GLU 248 Ca -0.02 0.56 0.12 0.00 -0.02 0.00 0.00 57.16 57.80 3inn n GLU 248 Cb 0.15 -1.73 0.14 0.00 -0.02 0.00 0.00 31.44 29.98 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 -4.43 0.00 -0.99 2.62 -2.24 -1.23 -4.96 114.28 103.05 3inn n THR 249 Ca -0.32 -0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 61.35 3inn n THR 249 Cb 0.67 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.17 0.04 -4.88 3.22 4.77 0.04 -4.85 117.00 114.18 3inn n LEU 250 Ca 0.07 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 3inn n LEU 250 Cb 0.35 -2.04 -0.03 0.00 -2.33 0.00 0.00 43.42 39.37 3inn n LEU 250 CO 0.35 -0.75 0.47 -1.61 -1.33 0.00 0.00 177.39 174.52 3inn s GLU 251 N -2.13 3.75 0.74 3.23 0.41 -1.26 -4.66 118.70 118.78 3inn s GLU 251 Ca 0.00 0.48 -0.14 0.00 -0.41 0.00 0.00 54.97 54.90 3inn s GLU 251 Cb 0.00 -2.35 0.04 0.00 -1.78 0.00 0.00 34.13 30.04 3inn s GLU 251 CO 0.00 -0.10 1.16 1.03 -0.49 0.00 0.00 175.26 176.86 3inn s ARG 252 N -4.05 2.20 0.38 1.61 0.52 -1.26 -1.40 118.95 116.94 3inn s ARG 252 Ca 0.51 1.57 0.08 0.00 -0.52 0.00 0.00 55.73 57.37 3inn s ARG 252 Cb -0.10 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.49 3inn s ARG 252 CO 0.34 -1.75 0.36 -0.51 0.02 0.00 0.00 175.30 173.76 3inn s LEU 253 N -5.33 3.54 -0.22 2.53 1.43 -1.26 -4.79 118.68 114.58 3inn s LEU 253 Ca 0.70 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3inn s LEU 253 Cb -0.25 -2.21 -0.18 0.00 0.03 0.00 0.00 46.19 43.58 3inn s LEU 253 CO 0.47 -0.52 -0.02 -0.81 0.23 0.00 0.00 176.35 175.70 3inn n PRO 254 N -1.50 0.63 -4.34 1.29 -0.04 -1.26 -4.86 135.00 124.92 3inn n PRO 254 Ca 0.01 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.63 3inn n PRO 254 Cb 0.60 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 3inn n PRO 254 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3inn s ALA 255 N -2.48 1.83 -0.09 0.55 0.00 -1.26 -4.41 121.76 115.90 3inn s ALA 255 Ca -0.32 -1.88 -0.07 0.00 0.00 0.00 0.00 51.96 49.69 3inn s ALA 255 Cb 0.09 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 3inn s ALA 255 CO 0.60 -0.40 -0.15 1.28 0.00 0.00 0.00 175.76 177.08 3inn n LEU 256 N -0.49 1.03 -4.56 0.00 4.77 -1.26 -4.91 117.00 111.58 3inn n LEU 256 Ca -0.01 0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 3inn n LEU 256 Cb 0.66 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3inn n LEU 256 CO 0.38 0.02 0.41 0.00 -1.33 0.00 0.00 177.39 176.87 3inn n GLN 257 N -3.65 1.03 -1.58 3.23 1.13 -1.26 -2.17 117.38 114.10 3inn n GLN 257 Ca -0.19 0.37 -0.18 0.00 -1.94 0.00 0.00 57.00 55.07 3inn n GLN 257 Cb 0.54 -1.90 -0.07 0.00 0.11 0.00 0.00 30.24 28.91 3inn n GLN 257 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3inn n GLY 258 N 1.39 1.66 3.20 1.08 0.00 -1.26 -4.98 105.19 106.28 3inn n GLY 258 Ca 0.11 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.62 0.36 0.31 1.61 1.70 -0.81 -4.86 118.95 113.63 3inn s ARG 259 Ca 0.00 0.48 -0.29 0.00 -0.47 0.00 0.00 55.73 55.44 3inn s ARG 259 Cb 0.00 0.14 -0.11 0.00 -0.57 0.00 0.00 34.95 34.41 3inn s ARG 259 CO 0.00 -0.06 1.49 -1.25 -1.08 0.00 0.00 175.30 174.40 3inn s PRO 260 N 0.37 4.18 0.21 3.89 0.04 -1.18 -4.30 135.00 138.21 3inn s PRO 260 Ca -0.02 2.47 0.11 0.00 0.04 0.00 0.00 61.00 63.60 3inn s PRO 260 Cb -0.03 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 3inn s PRO 260 CO -0.01 -0.50 -0.21 0.96 0.04 0.00 0.00 177.00 177.28 3inn s ILE 261 N -0.43 2.52 -0.16 0.56 -4.36 0.26 -4.43 121.20 115.16 3inn s ILE 261 Ca 0.58 -2.05 -0.04 0.00 -0.26 0.00 0.00 60.65 58.87 3inn s ILE 261 Cb -0.45 -2.24 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 3inn s ILE 261 CO 0.51 -0.18 -0.02 -0.22 0.24 0.00 0.00 174.94 175.28 3inn s LEU 262 N -2.88 3.36 -0.22 0.37 2.96 0.28 0.45 118.68 123.00 3inn s LEU 262 Ca 0.23 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3inn s LEU 262 Cb -0.07 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3inn s LEU 262 CO 0.12 0.17 0.04 -0.69 -1.32 0.00 0.00 176.35 174.66 3inn s VAL 263 N 0.38 4.23 -0.12 1.68 1.01 0.47 -1.46 120.40 126.60 3inn s VAL 263 Ca -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.76 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 0.02 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.36 3inn s ALA 264 N 1.16 1.78 -0.26 5.51 0.00 0.02 -1.05 121.76 128.91 3inn s ALA 264 Ca 0.04 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.22 3inn s ALA 264 Cb -0.14 -0.88 0.06 0.00 0.00 0.00 0.00 23.12 22.16 3inn s ALA 264 CO 0.02 -0.10 -0.07 -0.51 0.00 0.00 0.00 175.76 175.10 3inn s LEU 265 N 1.02 3.33 -0.81 0.00 1.43 0.05 -0.45 118.68 123.25 3inn s LEU 265 Ca -0.05 -1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 51.50 3inn s LEU 265 Cb -0.15 -1.45 0.21 0.00 0.03 0.00 0.00 46.19 44.84 3inn s LEU 265 CO -0.03 -0.23 0.74 0.12 0.23 0.00 0.00 176.35 177.19 3inn s PHE 266 N 1.17 3.74 -0.30 0.29 5.36 0.88 -1.64 117.98 127.48 3inn s PHE 266 Ca -0.06 -2.11 -0.05 0.00 -0.96 0.00 0.00 56.93 53.76 3inn s PHE 266 Cb -0.20 -3.74 0.03 0.00 -0.34 0.00 0.00 43.02 38.77 3inn s PHE 266 CO -0.06 -0.97 0.04 0.08 -1.46 0.00 0.00 175.22 172.85 3inn s VAL 267 N 0.08 3.51 -0.06 3.12 1.01 -0.07 -1.50 120.40 126.49 3inn s VAL 267 Ca 0.18 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3inn s VAL 267 Cb -0.11 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3inn s VAL 267 CO -0.08 -0.00 1.08 -0.60 0.00 0.00 0.00 175.10 175.49 3inn s ARG 268 N 1.39 4.42 -0.27 2.72 3.52 -1.22 -1.17 118.95 128.35 3inn s ARG 268 Ca -0.01 1.51 0.02 0.00 -0.13 0.00 0.00 55.73 57.13 3inn s ARG 268 Cb -0.18 -3.52 0.06 0.00 -1.56 0.00 0.00 34.95 29.75 3inn s ARG 268 CO 0.00 -0.31 -0.09 0.54 -0.81 0.00 0.00 175.30 174.63 3inn s VAL 269 N 1.84 2.32 0.00 7.11 0.11 -0.40 0.32 120.40 131.70 3inn s VAL 269 Ca 0.52 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 3inn s VAL 269 Cb -0.22 -2.35 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 3inn s VAL 269 CO 0.22 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 3inn n GLY 270 N 4.47 2.02 0.64 6.54 0.00 -1.26 -2.69 105.19 114.91 3inn n GLY 270 Ca -0.14 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 8.60 2.56 -3.10 4.61 0.00 -1.26 -4.98 120.51 126.93 3inn n ALA 271 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 53.44 52.48 3inn n ALA 271 Cb 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.48 3.30 -0.72 0.00 2.01 -1.10 -5.06 115.64 112.60 3inn s THR 272 Ca 0.19 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 3inn s THR 272 Cb 0.14 -2.42 0.15 0.00 0.01 0.00 0.00 72.50 70.38 3inn s THR 272 CO 0.24 0.50 0.78 -0.13 -0.69 0.00 0.00 174.62 175.32 3inn s ARG 273 N 0.49 3.31 -0.01 4.92 0.52 -1.26 -1.27 118.95 125.65 3inn s ARG 273 Ca -0.07 -1.81 -0.26 0.00 -0.52 0.00 0.00 55.73 53.07 3inn s ARG 273 Cb -0.15 -4.44 -0.04 0.00 0.52 0.00 0.00 34.95 30.83 3inn s ARG 273 CO 0.04 -1.48 0.81 -0.51 0.02 0.00 0.00 175.30 174.17 3inn s LEU 274 N 1.77 4.37 -0.02 2.53 1.43 -0.32 -4.89 118.68 123.56 3inn s LEU 274 Ca 0.16 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.71 3inn s LEU 274 Cb -0.17 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 3inn s LEU 274 CO -0.02 -0.12 -0.11 -0.22 0.23 0.00 0.00 176.35 176.11 3inn s LEU 275 N 0.62 2.96 0.08 1.79 2.96 -1.26 -0.89 118.68 124.93 3inn s LEU 275 Ca 0.42 -0.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.94 3inn s LEU 275 Cb -0.20 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 44.87 3inn s LEU 275 CO 0.23 0.31 0.52 -0.62 -1.32 0.00 0.00 176.35 175.46 3inn s ASP 276 N -1.12 -0.43 -0.02 3.68 -1.08 -0.65 -4.93 116.67 112.12 3inn s ASP 276 Ca 0.14 0.08 -0.10 0.00 -0.52 0.00 0.00 52.55 52.15 3inn s ASP 276 Cb -0.11 0.51 0.01 0.00 -1.46 0.00 0.00 42.92 41.87 3inn s ASP 276 CO 0.04 -0.78 0.22 0.20 0.52 0.00 0.00 175.17 175.37 3inn s ASN 277 N -2.22 -0.10 -0.08 -0.34 0.01 -1.26 -0.77 114.94 110.19 3inn s ASN 277 Ca -0.03 0.02 -0.08 0.00 -0.71 0.00 0.00 52.86 52.05 3inn s ASN 277 Cb -0.00 0.29 0.02 0.00 0.41 0.00 0.00 41.25 41.97 3inn s ASN 277 CO -0.05 -0.35 0.23 -0.60 -1.51 0.00 0.00 177.10 174.82 3inn s ARG 278 N -1.11 0.31 -0.19 -0.60 3.52 -0.22 -4.98 118.95 115.68 3inn s ARG 278 Ca -0.12 0.24 -0.18 0.00 -0.13 0.00 0.00 55.73 55.54 3inn s ARG 278 Cb -0.06 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 3inn s ARG 278 CO 0.02 -0.05 0.51 0.08 -0.81 0.00 0.00 175.30 175.05 3inn s VAL 279 N -0.08 5.12 -0.08 7.11 1.01 -1.26 -0.40 120.40 131.84 3inn s VAL 279 Ca -0.02 0.94 0.03 0.00 0.00 0.00 0.00 61.98 62.94 3inn s VAL 279 Cb -0.02 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3inn s VAL 279 CO 0.01 0.20 -0.19 -0.63 0.00 0.00 0.00 175.10 174.49 3inn s ILE 280 N 1.47 1.61 0.00 2.22 1.01 0.17 -4.95 121.20 122.73 3inn s ILE 280 Ca 0.24 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3inn s ILE 280 Cb -0.15 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.90 3inn s ILE 280 CO 0.10 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3inn n GLY 281 N 3.55 -1.83 0.00 6.18 0.00 -1.26 -0.57 105.19 111.26 3inn n GLY 281 Ca -0.20 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3inn n GLY 281 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93