#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oho s ASP 2 N 0.00 6.30 0.00 7.83 -1.08 -0.78 -4.89 116.67 124.05 2oho s ASP 2 Ca 0.00 -1.27 0.22 0.00 -0.52 0.00 0.00 52.55 50.98 2oho s ASP 2 Cb 0.00 -2.42 1.31 0.00 -1.46 0.00 0.00 42.92 40.35 2oho s ASP 2 CO 0.00 -1.36 1.73 0.35 0.52 0.00 0.00 175.17 176.41 2oho n THR 3 N 5.87 0.00 -1.47 1.71 -2.24 -1.26 -3.84 114.28 113.05 2oho n THR 3 Ca 0.05 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 2oho n THR 3 Cb 0.47 -0.54 0.09 0.00 -2.10 0.00 0.00 70.33 68.25 2oho n THR 3 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2oho s ARG 4 N -2.00 2.21 0.48 -0.78 0.52 -1.26 -4.83 118.95 113.30 2oho s ARG 4 Ca 0.33 1.73 -0.09 0.00 -0.52 0.00 0.00 55.73 57.17 2oho s ARG 4 Cb 0.15 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.72 2oho s ARG 4 CO 0.25 -1.77 0.85 -1.25 0.02 0.00 0.00 175.30 173.40 2oho s PRO 5 N -3.92 3.68 -0.12 3.54 0.04 -1.26 -4.57 135.00 132.39 2oho s PRO 5 Ca 0.74 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.11 2oho s PRO 5 Cb -0.28 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 2oho s PRO 5 CO 0.45 -0.22 0.37 0.42 0.04 0.00 0.00 177.00 178.06 2oho s ILE 6 N -2.68 5.23 0.11 0.56 1.01 0.03 -1.26 121.20 124.20 2oho s ILE 6 Ca 0.51 0.73 -0.10 0.00 0.00 0.00 0.00 60.65 61.79 2oho s ILE 6 Cb -0.10 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 2oho s ILE 6 CO 0.40 0.40 0.45 -0.83 0.00 0.00 0.00 174.94 175.36 2oho s GLY 7 N 0.28 2.36 -0.06 6.18 0.00 0.19 -1.97 107.32 114.30 2oho s GLY 7 Ca 0.21 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.62 2oho s GLY 7 CO 0.07 -0.11 -0.07 -1.36 0.00 0.00 0.00 173.10 171.63 2oho s PHE 8 N -1.48 1.08 0.11 1.90 0.40 0.35 0.47 117.98 120.82 2oho s PHE 8 Ca 0.36 -0.38 0.09 0.00 -0.60 0.00 0.00 56.93 56.40 2oho s PHE 8 Cb -0.14 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 2oho s PHE 8 CO 0.19 -0.27 -0.18 -0.48 0.70 0.00 0.00 175.22 175.19 2oho s LEU 9 N 0.97 2.71 -0.13 -0.37 0.05 -0.53 -1.80 118.68 119.57 2oho s LEU 9 Ca -0.10 -0.55 -0.17 0.00 0.05 0.00 0.00 54.13 53.36 2oho s LEU 9 Cb -0.15 -1.55 0.04 0.00 -2.05 0.00 0.00 46.19 42.49 2oho s LEU 9 CO 0.00 0.18 0.45 -0.62 -0.55 0.00 0.00 176.35 175.81 2oho s ASP 10 N -2.13 -0.44 0.30 1.48 2.15 -0.50 -0.52 116.67 117.02 2oho s ASP 10 Ca 0.18 0.74 0.16 0.00 0.43 0.00 0.00 52.55 54.06 2oho s ASP 10 Cb -0.11 0.78 0.11 0.00 -0.30 0.00 0.00 42.92 43.40 2oho s ASP 10 CO 0.10 -0.25 1.47 0.77 -0.17 0.00 0.00 175.17 177.09 2oho h SER 11 N 4.91 0.00 0.00 -0.34 4.64 -1.93 -3.35 113.55 117.48 2oho h SER 11 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2oho h SER 11 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2oho h SER 11 CO 0.27 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 2oho n GLY 12 N 1.19 2.67 0.00 -0.77 0.00 -1.26 -4.99 105.19 102.04 2oho n GLY 12 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2oho n GLY 12 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2oho n VAL 13 N 0.00 0.00 0.05 1.61 3.14 -1.26 -4.39 118.33 117.48 2oho n VAL 13 Ca 0.00 -0.12 0.14 0.00 -2.96 0.00 0.00 64.34 61.40 2oho n VAL 13 Cb 0.00 0.96 0.62 0.00 -1.06 0.00 0.00 33.84 34.36 2oho n VAL 13 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2oho h GLY 14 N 0.00 0.16 1.69 7.55 0.00 -1.97 -0.37 103.07 110.12 2oho h GLY 14 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2oho h GLY 14 CO 0.00 0.03 0.11 0.61 0.00 0.00 0.00 176.54 177.29 2oho n GLY 15 N -1.58 -0.73 0.30 4.60 0.00 -1.26 -1.21 105.19 105.31 2oho n GLY 15 Ca 0.06 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.38 2oho n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2oho h LEU 16 N 0.00 0.00 -0.99 0.99 3.38 -1.42 -0.18 115.31 117.09 2oho h LEU 16 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2oho h LEU 16 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2oho h LEU 16 CO 0.00 0.00 -0.50 0.71 0.09 0.00 0.00 178.44 178.74 2oho h THR 17 N 0.00 1.35 -0.23 0.22 1.35 -1.39 -1.71 112.91 112.51 2oho h THR 17 Ca 0.00 -1.73 -0.16 0.00 -0.55 0.00 0.00 66.41 63.97 2oho h THR 17 Cb 0.02 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2oho h THR 17 CO -0.00 0.49 -0.53 0.58 -0.25 0.00 0.00 175.52 175.81 2oho h VAL 18 N 0.00 1.30 -0.38 6.82 2.07 -1.22 -2.19 116.25 122.65 2oho h VAL 18 Ca -0.01 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2oho h VAL 18 Cb 0.90 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2oho h VAL 18 CO 0.07 0.55 0.25 0.58 0.02 0.00 0.00 177.57 179.04 2oho h VAL 19 N 0.51 1.11 -0.58 2.57 2.07 -1.27 0.12 116.25 120.78 2oho h VAL 19 Ca 0.02 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2oho h VAL 19 Cb 1.09 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2oho h VAL 19 CO 0.11 0.10 0.29 0.00 0.02 0.00 0.00 177.57 178.09 2oho h GLU 21 N 0.55 1.04 -0.25 0.00 4.57 -0.72 -1.06 114.58 118.72 2oho h GLU 21 Ca 0.26 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2oho h GLU 21 Cb 0.19 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2oho h GLU 21 CO -0.19 0.72 0.13 1.25 -1.18 0.00 0.00 179.01 179.74 2oho h LEU 22 N 1.06 0.19 -1.26 1.64 5.85 0.88 -0.98 115.31 122.68 2oho h LEU 22 Ca 0.28 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2oho h LEU 22 Cb -0.06 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2oho h LEU 22 CO -0.06 0.15 0.52 0.40 -0.34 0.00 0.00 178.44 179.11 2oho h ILE 23 N 0.27 1.11 -0.19 4.05 2.04 -0.25 0.51 117.51 125.05 2oho h ILE 23 Ca 0.10 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 2oho h ILE 23 Cb 0.02 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2oho h ILE 23 CO -0.07 0.17 -0.46 -0.09 0.00 0.00 0.00 178.15 177.71 2oho h ARG 24 N 0.95 0.65 0.00 2.37 2.43 -0.73 -3.02 114.38 117.02 2oho h ARG 24 Ca 0.32 -0.44 -0.21 0.00 -0.81 0.00 0.00 59.98 58.84 2oho h ARG 24 Cb 0.07 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2oho h ARG 24 CO -0.10 1.06 -1.44 1.96 -1.51 0.00 0.00 179.97 179.94 2oho h GLN 25 N 0.33 0.00 -2.05 0.20 4.20 -0.89 -3.41 115.11 113.50 2oho h GLN 25 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 2oho h GLN 25 Cb 1.07 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.45 2oho h GLN 25 CO 0.10 0.42 -0.99 1.28 -0.67 0.00 0.00 178.83 178.96 2oho n LEU 26 N -2.99 1.08 0.19 1.46 4.77 0.18 -4.95 117.00 116.74 2oho n LEU 26 Ca -0.11 -4.89 0.18 0.00 -0.03 0.00 0.00 56.01 51.16 2oho n LEU 26 Cb 0.92 0.33 0.79 0.00 -2.33 0.00 0.00 43.42 43.13 2oho n LEU 26 CO 0.44 2.09 1.16 -0.65 -1.33 0.00 0.00 177.39 179.09 2oho h PRO 27 N 3.96 0.00 0.00 3.23 0.11 -1.67 -2.23 132.00 135.40 2oho h PRO 27 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2oho h PRO 27 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2oho h PRO 27 CO 0.55 0.00 -0.35 -2.39 -0.21 0.00 0.00 178.00 175.61 2oho n HIS 28 N -3.45 0.19 -3.35 0.65 1.44 -1.26 -1.13 115.22 108.31 2oho n HIS 28 Ca 0.03 0.05 -0.38 0.00 -2.01 0.00 0.00 57.72 55.42 2oho n HIS 28 Cb 0.49 -0.46 -0.06 0.00 0.12 0.00 0.00 29.99 30.08 2oho n HIS 28 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2oho s GLU 29 N -3.04 4.31 0.58 -1.40 0.41 -0.84 -4.11 118.70 114.60 2oho s GLU 29 Ca 0.11 0.37 -0.16 0.00 -0.41 0.00 0.00 54.97 54.87 2oho s GLU 29 Cb 0.17 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 29.02 2oho s GLU 29 CO 0.65 0.14 1.06 0.15 -0.49 0.00 0.00 175.26 176.76 2oho s LYS 30 N 0.71 3.37 0.00 1.61 1.02 -1.26 -4.79 119.74 120.40 2oho s LYS 30 Ca 0.24 1.25 0.07 0.00 0.02 0.00 0.00 55.97 57.54 2oho s LYS 30 Cb -0.15 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.11 2oho s LYS 30 CO 0.09 -0.78 -0.21 0.42 -0.92 0.00 0.00 175.35 173.96 2oho s ILE 31 N -2.36 1.66 -0.18 2.17 1.01 -1.26 -0.79 121.20 121.45 2oho s ILE 31 Ca 0.65 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2oho s ILE 31 Cb -0.16 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 40.95 2oho s ILE 31 CO 0.34 0.38 -0.04 -0.69 0.00 0.00 0.00 174.94 174.93 2oho s VAL 32 N -0.59 1.06 0.04 2.92 1.01 -0.83 -0.47 120.40 123.53 2oho s VAL 32 Ca 0.08 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.46 2oho s VAL 32 Cb -0.08 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2oho s VAL 32 CO 0.00 0.04 -0.26 -0.47 0.00 0.00 0.00 175.10 174.41 2oho s TYR 33 N 1.64 2.27 -0.13 5.22 5.04 0.00 -0.49 117.35 130.90 2oho s TYR 33 Ca -0.01 -0.41 -0.06 0.00 -2.44 0.00 0.00 57.07 54.15 2oho s TYR 33 Cb -0.16 -1.37 0.06 0.00 0.35 0.00 0.00 41.96 40.84 2oho s TYR 33 CO -0.07 0.10 0.29 -1.50 -1.34 0.00 0.00 175.55 173.03 2oho s ILE 34 N -0.78 -0.19 -0.02 3.14 2.07 -0.75 -0.74 121.20 123.93 2oho s ILE 34 Ca 0.11 0.18 -0.16 0.00 -1.41 0.00 0.00 60.65 59.37 2oho s ILE 34 Cb -0.10 -0.46 0.03 0.00 0.13 0.00 0.00 42.46 42.06 2oho s ILE 34 CO 0.02 0.07 0.34 -0.83 -1.91 0.00 0.00 174.94 172.64 2oho s GLY 35 N 1.73 -0.19 0.00 1.50 0.00 -1.01 -1.41 107.32 107.93 2oho s GLY 35 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.10 2oho s GLY 35 CO -0.10 0.22 0.00 0.54 0.00 0.00 0.00 173.10 173.76 2oho n ARG 45 N 1.30 0.00 -0.56 2.90 1.74 -1.26 -3.29 116.66 117.48 2oho n ARG 45 Ca -0.21 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.57 2oho n ARG 45 Cb 0.56 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.20 2oho n ARG 45 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2oho n PRO 46 N 0.10 -2.24 0.01 5.56 -0.04 -1.26 -4.83 135.00 132.30 2oho n PRO 46 Ca 0.00 -0.64 -0.00 0.00 -0.04 0.00 0.00 63.50 62.81 2oho n PRO 46 Cb 0.00 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2oho n PRO 46 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2oho h LYS 47 N -2.45 -0.03 -1.25 0.54 1.57 -2.03 -2.98 116.57 109.94 2oho h LYS 47 Ca -0.52 0.00 0.43 0.00 -1.87 0.00 0.00 60.65 58.70 2oho h LYS 47 Cb 1.29 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.48 2oho h LYS 47 CO 0.37 -0.02 0.80 1.63 -0.57 0.00 0.00 179.45 181.66 2oho n LYS 48 N -2.20 -0.03 -0.04 3.15 5.02 -1.26 0.11 118.16 122.90 2oho n LYS 48 Ca -0.00 1.13 -0.15 0.00 -2.02 0.00 0.00 58.31 57.27 2oho n LYS 48 Cb 0.01 -2.24 -0.08 0.00 -0.02 0.00 0.00 35.03 32.70 2oho n LYS 48 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2oho h GLN 49 N 0.00 0.44 -0.19 1.97 4.15 -1.94 -1.75 115.11 117.78 2oho h GLN 49 Ca 0.80 -0.33 -0.08 0.00 0.77 0.00 0.00 58.65 59.81 2oho h GLN 49 Cb 2.57 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 30.30 2oho h GLN 49 CO -0.42 0.95 -0.22 0.82 -1.93 0.00 0.00 178.83 178.02 2oho h ILE 50 N 0.02 1.24 0.48 2.39 2.04 0.89 -0.59 117.51 123.98 2oho h ILE 50 Ca -0.01 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2oho h ILE 50 Cb 0.99 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2oho h ILE 50 CO 0.08 0.35 -0.23 0.50 0.00 0.00 0.00 178.15 178.84 2oho h LYS 51 N 0.31 -0.63 -0.64 2.37 3.64 -0.57 -0.51 116.57 120.54 2oho h LYS 51 Ca 0.05 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2oho h LYS 51 Cb 0.57 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 2oho h LYS 51 CO 0.04 -0.36 0.34 0.93 -2.27 0.00 0.00 179.45 178.13 2oho h GLU 52 N -0.78 0.60 -0.77 1.90 4.39 -1.12 -0.98 114.58 117.82 2oho h GLU 52 Ca -0.07 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.63 2oho h GLU 52 Cb 0.56 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 2oho h GLU 52 CO 0.11 0.40 0.49 1.88 -1.16 0.00 0.00 179.01 180.73 2oho h TYR 53 N 0.62 0.92 -0.42 4.33 0.99 -0.98 -1.89 116.97 120.54 2oho h TYR 53 Ca 0.29 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.03 2oho h TYR 53 Cb 0.22 -0.30 -0.02 0.00 1.00 0.00 0.00 36.73 37.63 2oho h TYR 53 CO -0.09 0.52 0.21 1.15 -0.00 0.00 0.00 178.16 179.95 2oho h THR 54 N 0.95 1.17 -0.85 -2.88 2.02 0.05 -2.29 112.91 111.09 2oho h THR 54 Ca 0.31 -0.48 0.09 0.00 0.77 0.00 0.00 66.41 67.10 2oho h THR 54 Cb 0.02 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2oho h THR 54 CO -0.11 0.19 0.55 -0.50 0.37 0.00 0.00 175.52 176.02 2oho h TRP 55 N 0.54 0.90 -0.40 3.16 4.06 -0.71 0.13 115.95 123.63 2oho h TRP 55 Ca 0.15 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 61.04 2oho h TRP 55 Cb 0.11 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 2oho h TRP 55 CO -0.01 0.43 -0.09 0.93 -3.56 0.00 0.00 178.44 176.14 2oho h GLU 56 N 0.85 0.69 -0.46 0.49 5.08 -0.85 0.25 114.58 120.62 2oho h GLU 56 Ca 0.39 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 2oho h GLU 56 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2oho h GLU 56 CO -0.16 0.77 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.43 2oho h LEU 57 N 0.64 0.91 -0.41 1.33 3.38 -0.44 -1.64 115.31 119.07 2oho h LEU 57 Ca 0.11 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2oho h LEU 57 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2oho h LEU 57 CO 0.03 1.07 0.12 0.58 0.09 0.00 0.00 178.44 180.33 2oho h VAL 58 N 0.75 1.22 -0.97 1.22 2.07 -0.39 -1.97 116.25 118.16 2oho h VAL 58 Ca 0.12 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2oho h VAL 58 Cb 0.68 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2oho h VAL 58 CO 0.05 0.26 0.63 0.78 0.02 0.00 0.00 177.57 179.30 2oho h ASN 59 N 0.53 1.01 0.03 0.57 -0.26 -0.40 -0.60 115.58 116.46 2oho h ASN 59 Ca 0.13 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.88 2oho h ASN 59 Cb 0.27 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 2oho h ASN 59 CO -0.00 0.65 -0.01 0.15 -1.06 0.00 0.00 177.43 177.16 2oho h PHE 60 N 1.15 -0.03 -0.99 1.19 3.04 -0.92 -2.40 116.94 117.98 2oho h PHE 60 Ca 0.41 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.44 2oho h PHE 60 Cb 0.14 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 2oho h PHE 60 CO -0.01 0.13 0.64 -0.07 -2.02 0.00 0.00 178.31 176.98 2oho h LEU 61 N -0.18 1.01 -1.27 0.59 4.07 -0.90 -1.45 115.31 117.18 2oho h LEU 61 Ca -0.00 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 2oho h LEU 61 Cb 0.17 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2oho h LEU 61 CO 0.01 0.63 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.78 2oho h LEU 62 N 1.14 0.30 -0.68 1.67 3.38 -0.90 -0.28 115.31 119.94 2oho h LEU 62 Ca 0.44 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2oho h LEU 62 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2oho h LEU 62 CO -0.19 0.48 0.00 0.71 0.09 0.00 0.00 178.44 179.54 2oho h THR 63 N 0.30 0.00 -0.25 0.22 1.35 -0.77 -1.90 112.91 111.86 2oho h THR 63 Ca 0.06 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2oho h THR 63 Cb 0.45 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2oho h THR 63 CO 0.03 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 2oho n GLN 64 N -2.49 1.78 -3.47 4.72 1.13 -0.13 -4.95 117.38 113.97 2oho n GLN 64 Ca 0.03 -1.19 -0.19 0.00 -1.94 0.00 0.00 57.00 53.70 2oho n GLN 64 Cb 0.31 -1.35 0.08 0.00 0.11 0.00 0.00 30.24 29.39 2oho n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2oho n ASN 65 N 0.43 -3.67 -4.82 1.08 5.15 -0.71 -4.81 115.26 107.91 2oho n ASN 65 Ca 0.15 -0.58 -0.34 0.00 -0.60 0.00 0.00 54.58 53.20 2oho n ASN 65 Cb 0.32 -5.02 -0.07 0.00 -0.53 0.00 0.00 39.78 34.49 2oho n ASN 65 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2oho s VAL 66 N -3.34 4.44 -2.74 3.44 -7.23 -1.22 -4.13 120.40 109.62 2oho s VAL 66 Ca 0.22 1.42 0.25 0.00 -1.81 0.00 0.00 61.98 62.06 2oho s VAL 66 Cb -0.10 -3.74 0.35 0.00 0.56 0.00 0.00 36.38 33.45 2oho s VAL 66 CO 0.72 -0.09 1.46 2.29 -0.31 0.00 0.00 175.10 179.17 2oho n LYS 67 N -0.07 2.06 -3.56 4.82 2.85 -0.39 -4.93 118.16 118.95 2oho n LYS 67 Ca 0.04 -1.55 -0.12 0.00 -1.05 0.00 0.00 58.31 55.62 2oho n LYS 67 Cb 0.52 -1.47 -0.05 0.00 -0.65 0.00 0.00 35.03 33.38 2oho n LYS 67 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2oho s MET 68 N -1.95 0.70 -0.11 -1.58 0.00 -1.26 -4.30 119.30 110.80 2oho s MET 68 Ca 0.33 0.17 0.01 0.00 0.00 0.00 0.00 55.69 56.20 2oho s MET 68 Cb 0.20 0.33 0.02 0.00 0.00 0.00 0.00 34.83 35.38 2oho s MET 68 CO 0.31 -0.22 -0.13 0.42 0.00 0.00 0.00 175.02 175.40 2oho s ILE 69 N -1.13 1.36 -0.18 10.11 1.01 -0.96 0.55 121.20 131.97 2oho s ILE 69 Ca -0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2oho s ILE 69 Cb -0.00 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 2oho s ILE 69 CO 0.04 0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 174.65 2oho s VAL 70 N 1.11 3.58 -0.48 2.92 1.01 0.18 -1.93 120.40 126.79 2oho s VAL 70 Ca -0.05 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 2oho s VAL 70 Cb -0.14 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2oho s VAL 70 CO -0.03 0.47 0.98 -0.36 0.00 0.00 0.00 175.10 176.17 2oho s PHE 71 N 0.77 2.87 -0.11 5.22 2.99 0.55 -1.46 117.98 128.82 2oho s PHE 71 Ca -0.02 0.42 -0.23 0.00 0.00 0.00 0.00 56.93 57.11 2oho s PHE 71 Cb -0.15 -4.11 -0.20 0.00 0.00 0.00 0.00 43.02 38.57 2oho s PHE 71 CO 0.02 -1.18 0.68 0.00 -0.00 0.00 0.00 175.22 174.73 2oho h ALA 72 N 9.15 -0.02 -2.92 5.36 0.00 -1.13 -3.22 119.26 126.48 2oho h ALA 72 Ca -0.24 -0.36 -0.56 0.00 0.00 0.00 0.00 54.91 53.75 2oho h ALA 72 Cb 1.07 0.01 0.16 0.00 0.00 0.00 0.00 17.79 19.03 2oho h ALA 72 CO 1.06 -0.05 0.26 0.00 0.00 0.00 0.00 179.25 180.52 2oho n ASN 74 N -1.33 1.39 0.03 0.00 4.13 -1.26 -3.46 115.26 114.77 2oho n ASN 74 Ca 0.15 0.34 -0.10 0.00 1.68 0.00 0.00 54.58 56.65 2oho n ASN 74 Cb 0.48 -0.41 0.04 0.00 -1.54 0.00 0.00 39.78 38.36 2oho n ASN 74 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2oho h THR 75 N 0.03 1.35 -0.32 3.41 2.02 -1.94 -1.69 112.91 115.77 2oho h THR 75 Ca -0.34 -1.97 -0.02 0.00 0.77 0.00 0.00 66.41 64.85 2oho h THR 75 Cb 2.02 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.37 2oho h THR 75 CO 0.09 0.60 0.12 0.00 0.37 0.00 0.00 175.52 176.69 2oho h ALA 76 N 0.95 0.42 -0.31 6.16 0.00 -1.97 -0.22 119.26 124.30 2oho h ALA 76 Ca -0.01 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2oho h ALA 76 Cb 1.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2oho h ALA 76 CO 0.12 0.04 0.05 1.15 0.00 0.00 0.00 179.25 180.60 2oho h THR 77 N 0.37 0.83 -0.74 0.00 2.02 -1.56 0.33 112.91 114.16 2oho h THR 77 Ca 0.11 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.24 2oho h THR 77 Cb 0.22 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2oho h THR 77 CO -0.01 0.03 0.49 0.00 0.37 0.00 0.00 175.52 176.40 2oho h ALA 78 N 1.24 1.47 0.00 6.16 0.00 -0.96 -2.62 119.26 124.55 2oho h ALA 78 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2oho h ALA 78 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2oho h ALA 78 CO -0.20 0.49 -0.29 0.28 0.00 0.00 0.00 179.25 179.53 2oho h VAL 79 N 1.00 1.50 0.00 0.00 2.07 -0.14 -3.44 116.25 117.24 2oho h VAL 79 Ca 0.27 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2oho h VAL 79 Cb -0.11 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2oho h VAL 79 CO -0.06 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.04 2oho n ALA 80 N -2.81 1.93 -0.05 1.67 0.00 0.11 -4.84 120.51 116.51 2oho n ALA 80 Ca -0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.95 2oho n ALA 80 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2oho n ALA 80 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2oho h TRP 81 N 0.00 -0.97 0.00 0.00 7.01 -1.43 -1.06 115.95 119.51 2oho h TRP 81 Ca 0.00 0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 2oho h TRP 81 Cb 0.05 0.46 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 2oho h TRP 81 CO 0.00 -0.41 -0.16 0.93 -2.79 0.00 0.00 178.44 176.01 2oho h GLU 82 N -0.35 0.00 -0.04 2.65 5.08 -1.89 -0.70 114.58 119.33 2oho h GLU 82 Ca 0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2oho h GLU 82 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2oho h GLU 82 CO -0.44 0.16 -0.26 1.49 -1.00 0.00 0.00 179.01 178.96 2oho h GLU 83 N 0.00 0.24 -0.58 2.33 4.81 -1.66 -2.70 114.58 117.02 2oho h GLU 83 Ca -0.00 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.92 2oho h GLU 83 Cb 0.32 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2oho h GLU 83 CO 0.02 0.88 -0.01 0.28 -0.73 0.00 0.00 179.01 179.45 2oho h VAL 84 N -0.32 1.27 -0.78 0.32 2.07 -1.08 -2.70 116.25 115.02 2oho h VAL 84 Ca -0.02 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 2oho h VAL 84 Cb 0.94 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2oho h VAL 84 CO 0.05 0.41 0.40 0.50 0.02 0.00 0.00 177.57 178.95 2oho h LYS 85 N 0.92 1.09 0.00 1.57 3.64 -1.18 -1.45 116.57 121.16 2oho h LYS 85 Ca 0.16 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2oho h LYS 85 Cb 0.56 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2oho h LYS 85 CO 0.03 0.82 0.00 0.00 -2.27 0.00 0.00 179.45 178.03 2oho h ALA 86 N 1.34 1.00 -0.01 5.00 0.00 -1.34 -3.25 119.26 122.00 2oho h ALA 86 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2oho h ALA 86 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2oho h ALA 86 CO -0.04 0.00 -0.74 0.00 0.00 0.00 0.00 179.25 178.48 2oho n ALA 87 N -2.05 4.14 -2.86 0.00 0.00 -0.64 -5.00 120.51 114.10 2oho n ALA 87 Ca 0.02 -0.58 -0.23 0.00 0.00 0.00 0.00 53.44 52.64 2oho n ALA 87 Cb 0.37 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 2oho n ALA 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oho s LEU 88 N -2.71 3.97 0.00 0.00 1.02 -0.65 -5.01 118.68 115.30 2oho s LEU 88 Ca 0.11 -0.11 0.24 0.00 0.02 0.00 0.00 54.13 54.39 2oho s LEU 88 Cb 0.16 -2.53 0.56 0.00 0.02 0.00 0.00 46.19 44.40 2oho s LEU 88 CO 0.70 -0.01 1.46 -0.90 0.02 0.00 0.00 176.35 177.63 2oho n ASP 89 N -0.93 2.53 -4.51 2.29 5.75 -1.26 -4.89 116.55 115.53 2oho n ASP 89 Ca -0.08 -1.83 -0.26 0.00 -0.01 0.00 0.00 54.79 52.61 2oho n ASP 89 Cb 0.56 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 40.45 2oho n ASP 89 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2oho s ILE 90 N -1.80 2.77 0.62 2.12 -4.36 -1.26 -5.10 121.20 114.19 2oho s ILE 90 Ca 0.34 -2.01 -0.19 0.00 -0.26 0.00 0.00 60.65 58.53 2oho s ILE 90 Cb 0.20 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 2oho s ILE 90 CO 0.30 -0.23 1.18 -2.65 0.24 0.00 0.00 174.94 173.79 2oho n PRO 91 N -0.19 1.09 -3.76 0.37 -0.02 -1.26 -4.89 135.00 126.34 2oho n PRO 91 Ca -0.09 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 2oho n PRO 91 Cb 0.57 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 2oho n PRO 91 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2oho s VAL 92 N -1.42 -0.02 0.14 -1.45 1.01 -1.26 -2.27 120.40 115.13 2oho s VAL 92 Ca 0.79 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 2oho s VAL 92 Cb -0.40 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.65 2oho s VAL 92 CO 0.43 0.03 0.30 -1.48 0.00 0.00 0.00 175.10 174.39 2oho s LEU 93 N 0.73 0.92 0.00 3.92 2.34 -0.81 -4.94 118.68 120.84 2oho s LEU 93 Ca -0.05 -0.69 0.00 0.00 0.06 0.00 0.00 54.13 53.46 2oho s LEU 93 Cb -0.06 1.35 -0.00 0.00 -0.56 0.00 0.00 46.19 46.91 2oho s LEU 93 CO -0.04 -0.86 0.02 0.61 -1.06 0.00 0.00 176.35 175.01 2oho n GLY 94 N -0.19 3.52 0.10 -3.48 0.00 -1.26 -0.33 105.19 103.55 2oho n GLY 94 Ca -0.11 -2.35 0.10 0.00 0.00 0.00 0.00 46.02 43.66 2oho n GLY 94 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2oho n VAL 95 N -1.26 0.61 0.17 1.61 0.24 -1.22 -4.47 118.33 114.03 2oho n VAL 95 Ca -0.20 -0.56 -0.14 0.00 -2.04 0.00 0.00 64.34 61.39 2oho n VAL 95 Cb 0.65 -0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 32.60 2oho n VAL 95 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2oho h VAL 96 N 0.00 0.74 -0.01 3.34 2.07 -1.90 -2.19 116.25 118.30 2oho h VAL 96 Ca -0.02 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2oho h VAL 96 Cb 1.08 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2oho h VAL 96 CO 0.01 0.03 -0.12 0.25 0.02 0.00 0.00 177.57 177.76 2oho h LEU 97 N -0.47 -0.34 -1.41 2.57 7.12 -1.97 0.30 115.31 121.11 2oho h LEU 97 Ca -0.04 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 2oho h LEU 97 Cb 0.35 0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 2oho h LEU 97 CO 0.07 -0.17 0.22 1.55 -0.13 0.00 0.00 178.44 179.98 2oho h PRO 98 N -0.19 0.62 -0.40 5.25 0.13 -1.78 0.33 132.00 135.96 2oho h PRO 98 Ca 0.05 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.05 2oho h PRO 98 Cb 0.25 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 2oho h PRO 98 CO -0.12 0.48 0.01 0.78 -0.23 0.00 0.00 178.00 178.92 2oho h GLY 99 N 0.73 0.76 0.70 1.56 0.00 -0.87 -1.20 103.07 104.75 2oho h GLY 99 Ca 0.16 -0.55 0.04 0.00 0.00 0.00 0.00 47.33 46.98 2oho h GLY 99 CO -0.02 0.51 0.06 0.00 0.00 0.00 0.00 176.54 177.09 2oho h ALA 100 N 0.89 0.29 -0.53 3.60 0.00 0.89 -1.12 119.26 123.28 2oho h ALA 100 Ca 0.12 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2oho h ALA 100 Cb 0.46 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2oho h ALA 100 CO 0.02 -0.35 0.07 1.03 0.00 0.00 0.00 179.25 180.02 2oho h SER 101 N 0.17 0.81 -0.50 0.00 0.87 -0.24 -2.67 113.55 111.99 2oho h SER 101 Ca 0.13 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 2oho h SER 101 Cb 0.12 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2oho h SER 101 CO -0.16 0.83 -0.17 0.00 -0.53 0.00 0.00 176.83 176.80 2oho h ALA 102 N 1.26 0.70 -0.83 6.23 0.00 -0.79 -2.69 119.26 123.14 2oho h ALA 102 Ca 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2oho h ALA 102 Cb 0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2oho h ALA 102 CO 0.01 0.66 0.48 0.00 0.00 0.00 0.00 179.25 180.40 2oho h ALA 103 N 0.89 1.06 -0.77 0.00 0.00 -0.99 0.11 119.26 119.56 2oho h ALA 103 Ca 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2oho h ALA 103 Cb 0.75 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2oho h ALA 103 CO 0.06 0.55 0.32 0.82 0.00 0.00 0.00 179.25 181.00 2oho h ILE 104 N 1.15 1.25 0.00 0.00 2.04 -1.41 0.35 117.51 120.90 2oho h ILE 104 Ca 0.30 -0.78 -0.17 0.00 1.00 0.00 0.00 64.86 65.21 2oho h ILE 104 Cb -0.00 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2oho h ILE 104 CO -0.05 0.32 -0.79 0.11 0.00 0.00 0.00 178.15 177.74 2oho h LYS 105 N 1.11 0.00 0.00 2.37 1.57 -1.13 -3.30 116.57 117.19 2oho h LYS 105 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2oho h LYS 105 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2oho h LYS 105 CO -0.02 0.79 -0.76 1.03 -0.57 0.00 0.00 179.45 179.92 2oho h SER 106 N 0.00 0.00 -3.42 0.86 0.87 -0.40 -3.48 113.55 107.98 2oho h SER 106 Ca -0.01 -0.18 -0.52 0.00 -1.23 0.00 0.00 61.79 59.85 2oho h SER 106 Cb 1.56 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.55 2oho h SER 106 CO 0.10 0.09 0.65 0.28 -0.53 0.00 0.00 176.83 177.42 2oho s THR 107 N -3.22 3.19 -0.15 2.23 -1.32 0.12 -4.98 115.64 111.52 2oho s THR 107 Ca 0.04 1.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.41 2oho s THR 107 Cb 0.12 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.44 2oho s THR 107 CO 0.75 0.16 -0.20 0.35 -2.21 0.00 0.00 174.62 173.46 2oho n THR 108 N 2.49 1.43 1.15 5.08 -2.24 -1.26 -4.58 114.28 116.36 2oho n THR 108 Ca 0.06 0.20 0.13 0.00 -2.27 0.00 0.00 64.05 62.16 2oho n THR 108 Cb 0.43 -2.38 0.23 0.00 -2.10 0.00 0.00 70.33 66.51 2oho n THR 108 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2oho n LYS 109 N -4.58 2.01 -0.91 -0.78 4.76 -1.26 -4.92 118.16 112.47 2oho n LYS 109 Ca -0.09 -1.53 0.00 0.00 -2.87 0.00 0.00 58.31 53.82 2oho n LYS 109 Cb 0.32 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 2oho n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2oho n GLY 110 N 1.30 0.53 3.34 0.72 0.00 -1.26 -4.96 105.19 104.86 2oho n GLY 110 Ca 0.15 -0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 2oho n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oho s GLN 111 N -0.42 3.10 -0.06 1.61 1.11 -1.26 -1.39 119.66 122.35 2oho s GLN 111 Ca 0.00 -1.65 0.03 0.00 0.01 0.00 0.00 55.36 53.75 2oho s GLN 111 Cb 0.00 -4.32 -0.02 0.00 -1.01 0.00 0.00 33.01 27.65 2oho s GLN 111 CO 0.00 -1.42 -0.14 0.08 0.01 0.00 0.00 175.29 173.82 2oho s VAL 112 N 1.87 3.09 0.30 1.09 1.01 -0.46 -0.24 120.40 127.06 2oho s VAL 112 Ca 0.09 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.47 2oho s VAL 112 Cb -0.25 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 2oho s VAL 112 CO 0.02 0.58 -0.16 -0.83 0.00 0.00 0.00 175.10 174.72 2oho s GLY 113 N -0.61 1.97 -0.16 4.51 0.00 0.13 -0.22 107.32 112.94 2oho s GLY 113 Ca 0.09 -1.94 -0.10 0.00 0.00 0.00 0.00 44.72 42.77 2oho s GLY 113 CO 0.01 -1.98 0.39 0.54 0.00 0.00 0.00 173.10 172.06 2oho s VAL 114 N -2.58 -0.02 0.07 1.40 0.11 0.49 -0.37 120.40 119.49 2oho s VAL 114 Ca 0.30 0.08 0.09 0.00 -2.93 0.00 0.00 61.98 59.52 2oho s VAL 114 Cb -0.02 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 2oho s VAL 114 CO 0.15 0.03 -0.22 0.27 -3.33 0.00 0.00 175.10 172.01 2oho s ILE 115 N 1.12 2.54 0.00 7.04 -4.36 -0.94 0.70 121.20 127.31 2oho s ILE 115 Ca -0.07 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 2oho s ILE 115 Cb -0.07 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.56 2oho s ILE 115 CO -0.09 0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.97 2oho n GLY 116 N 1.39 0.80 3.77 6.27 0.00 -1.20 -0.18 105.19 116.05 2oho n GLY 116 Ca -0.17 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 2oho n GLY 116 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2oho s THR 117 N -2.24 3.39 0.33 2.61 -1.32 -1.26 -2.52 115.64 114.63 2oho s THR 117 Ca 0.00 1.10 0.11 0.00 -1.21 0.00 0.00 61.69 61.69 2oho s THR 117 Cb 0.00 -3.58 0.35 0.00 -1.51 0.00 0.00 72.50 67.75 2oho s THR 117 CO 0.00 0.04 1.62 -0.65 -2.21 0.00 0.00 174.62 173.42 2oho h PRO 118 N 2.46 0.14 -0.29 7.08 0.11 -1.93 0.65 132.00 140.23 2oho h PRO 118 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2oho h PRO 118 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2oho h PRO 118 CO 0.62 0.09 0.13 0.52 -0.21 0.00 0.00 178.00 179.15 2oho h MET 119 N 0.15 0.43 -0.04 1.05 2.86 -1.98 0.62 114.93 118.01 2oho h MET 119 Ca 0.70 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 58.27 2oho h MET 119 Cb 1.63 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.21 2oho h MET 119 CO -0.72 0.44 0.02 1.15 1.06 0.00 0.00 176.91 178.85 2oho h THR 120 N 0.33 1.13 -0.28 2.22 2.02 -0.15 -2.23 112.91 115.96 2oho h THR 120 Ca 0.10 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2oho h THR 120 Cb 0.16 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2oho h THR 120 CO -0.01 0.11 0.13 0.58 0.37 0.00 0.00 175.52 176.70 2oho h VAL 121 N -0.09 1.15 -0.95 3.16 2.07 -0.93 -2.65 116.25 118.01 2oho h VAL 121 Ca 0.01 -0.45 0.21 0.00 0.82 0.00 0.00 66.70 67.30 2oho h VAL 121 Cb 0.16 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 2oho h VAL 121 CO -0.00 0.16 0.62 0.00 0.02 0.00 0.00 177.57 178.36 2oho h ALA 122 N 0.98 2.11 0.00 1.67 0.00 -0.74 0.97 119.26 124.26 2oho h ALA 122 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2oho h ALA 122 Cb 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2oho h ALA 122 CO -0.01 -0.43 -0.17 0.66 0.00 0.00 0.00 179.25 179.30 2oho h SER 123 N 0.48 0.00 -1.43 0.00 4.64 -1.06 -3.46 113.55 112.71 2oho h SER 123 Ca 0.51 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.47 2oho h SER 123 Cb 1.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.14 2oho h SER 123 CO -0.23 0.17 -0.35 -0.67 -0.87 0.00 0.00 176.83 174.87 2oho n ASP 124 N -3.28 -4.78 -0.32 4.97 2.03 0.34 -4.86 116.55 110.65 2oho n ASP 124 Ca 0.01 0.39 0.14 0.00 0.52 0.00 0.00 54.79 55.85 2oho n ASP 124 Cb 0.43 -4.25 0.37 0.00 -0.72 0.00 0.00 41.12 36.95 2oho n ASP 124 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2oho h ILE 125 N 0.00 0.72 -0.21 5.18 6.09 -1.81 -2.08 117.51 125.42 2oho h ILE 125 Ca -0.37 -0.24 -0.03 0.00 -1.37 0.00 0.00 64.86 62.85 2oho h ILE 125 Cb 1.19 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 2oho h ILE 125 CO 0.53 0.13 0.00 1.88 -3.07 0.00 0.00 178.15 177.62 2oho h TYR 126 N 0.69 0.39 -0.45 2.19 0.05 -1.89 -0.68 116.97 117.27 2oho h TYR 126 Ca 0.54 -0.07 -0.11 0.00 0.05 0.00 0.00 58.73 59.14 2oho h TYR 126 Cb 0.93 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 2oho h TYR 126 CO -0.00 0.55 -0.15 -0.09 -1.05 0.00 0.00 178.16 177.41 2oho h ARG 127 N 0.12 0.86 -0.29 4.88 2.43 -1.91 -1.26 114.38 119.23 2oho h ARG 127 Ca 0.06 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 58.92 2oho h ARG 127 Cb 0.39 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2oho h ARG 127 CO 0.01 0.96 0.17 0.87 -1.51 0.00 0.00 179.97 180.47 2oho h LYS 128 N 0.77 0.34 -0.25 0.20 1.57 -1.27 0.12 116.57 118.04 2oho h LYS 128 Ca 0.12 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.68 2oho h LYS 128 Cb 0.68 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2oho h LYS 128 CO 0.05 0.23 -0.61 0.87 -0.57 0.00 0.00 179.45 179.41 2oho h LYS 129 N 0.35 0.86 0.55 3.15 1.79 -1.01 -0.66 116.57 121.59 2oho h LYS 129 Ca 0.11 -0.59 -0.02 0.00 -2.18 0.00 0.00 60.65 57.97 2oho h LYS 129 Cb -0.01 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2oho h LYS 129 CO -0.05 1.22 -0.29 0.82 -1.08 0.00 0.00 179.45 180.07 2oho h ILE 130 N 0.64 0.40 0.00 1.86 2.04 -1.09 -2.34 117.51 119.02 2oho h ILE 130 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2oho h ILE 130 Cb 1.23 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2oho h ILE 130 CO 0.13 0.00 0.00 1.56 0.00 0.00 0.00 178.15 179.84 2oho h GLN 131 N -0.78 0.00 -0.25 2.37 4.20 -0.79 0.20 115.11 120.06 2oho h GLN 131 Ca -0.07 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 2oho h GLN 131 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2oho h GLN 131 CO 0.10 0.00 -0.43 1.25 -0.67 0.00 0.00 178.83 179.08 2oho h LEU 132 N 0.00 0.66 0.13 1.46 5.85 -0.69 -2.06 115.31 120.67 2oho h LEU 132 Ca 0.00 -0.31 -0.33 0.00 0.84 0.00 0.00 57.88 58.08 2oho h LEU 132 Cb 0.34 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2oho h LEU 132 CO 0.00 1.01 -1.76 -0.07 -0.34 0.00 0.00 178.44 177.28 2oho h LEU 133 N 0.50 0.45 -6.72 2.25 3.38 -0.78 -3.43 115.31 110.95 2oho h LEU 133 Ca 0.04 -0.90 -0.59 0.00 0.09 0.00 0.00 57.88 56.51 2oho h LEU 133 Cb 0.95 -0.15 -0.39 0.00 0.09 0.00 0.00 40.66 41.17 2oho h LEU 133 CO 0.09 1.77 -0.81 0.00 0.09 0.00 0.00 178.44 179.57 2oho s ALA 134 N -2.53 1.55 0.54 1.53 0.00 0.60 -5.03 121.76 118.42 2oho s ALA 134 Ca -0.20 -2.28 0.30 0.00 0.00 0.00 0.00 51.96 49.78 2oho s ALA 134 Cb 0.06 -1.73 1.47 0.00 0.00 0.00 0.00 23.12 22.91 2oho s ALA 134 CO 0.78 -2.07 1.91 -1.00 0.00 0.00 0.00 175.76 175.38 2oho h PRO 135 N 6.68 0.00 -0.09 0.00 0.13 -1.57 -2.59 132.00 134.55 2oho h PRO 135 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2oho h PRO 135 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2oho h PRO 135 CO 0.37 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.57 2oho n SER 136 N -4.20 1.75 -4.71 1.44 7.64 -1.26 -4.90 113.62 109.38 2oho n SER 136 Ca 0.15 -1.63 -0.42 0.00 1.01 0.00 0.00 58.87 57.98 2oho n SER 136 Cb 0.86 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.98 2oho n SER 136 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oho s ILE 137 N -1.90 4.45 0.10 0.44 1.01 -0.97 -5.02 121.20 119.31 2oho s ILE 137 Ca 0.35 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 2oho s ILE 137 Cb 0.20 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 2oho s ILE 137 CO 0.30 0.13 0.99 -1.10 0.00 0.00 0.00 174.94 175.26 2oho s GLN 138 N 1.10 4.65 -0.07 2.79 -1.52 -0.49 -4.80 119.66 121.33 2oho s GLN 138 Ca 0.55 1.49 0.00 0.00 -1.95 0.00 0.00 55.36 55.45 2oho s GLN 138 Cb -0.25 -3.38 0.02 0.00 -0.22 0.00 0.00 33.01 29.18 2oho s GLN 138 CO 0.28 0.13 -0.05 0.08 -0.25 0.00 0.00 175.29 175.48 2oho s VAL 139 N 0.20 0.69 -0.29 1.09 1.01 -1.26 -1.36 120.40 120.49 2oho s VAL 139 Ca 0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 2oho s VAL 139 Cb -0.24 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2oho s VAL 139 CO 0.30 0.28 0.01 -0.13 0.00 0.00 0.00 175.10 175.57 2oho s ARG 140 N 1.31 2.71 -0.31 2.72 0.52 0.69 -4.99 118.95 121.60 2oho s ARG 140 Ca -0.04 -1.08 -0.11 0.00 -0.52 0.00 0.00 55.73 53.98 2oho s ARG 140 Cb -0.14 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 2oho s ARG 140 CO -0.02 -0.52 0.18 -1.12 0.02 0.00 0.00 175.30 173.84 2oho s SER 141 N 1.35 5.80 0.30 0.23 0.01 -1.26 -0.38 113.70 119.75 2oho s SER 141 Ca -0.02 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 56.96 2oho s SER 141 Cb -0.18 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 2oho s SER 141 CO -0.01 -0.16 0.45 -0.22 0.41 0.00 0.00 173.24 173.71 2oho s LEU 142 N 1.69 4.11 -0.09 2.44 2.96 0.22 -4.95 118.68 125.06 2oho s LEU 142 Ca 0.06 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2oho s LEU 142 Cb -0.17 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 2oho s LEU 142 CO 0.09 -0.27 -0.06 0.00 -1.32 0.00 0.00 176.35 174.78 2oho s ALA 143 N -2.14 3.00 -0.42 5.97 0.00 -1.26 -3.24 121.76 123.67 2oho s ALA 143 Ca 0.40 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.56 2oho s ALA 143 Cb -0.09 -1.31 0.24 0.00 0.00 0.00 0.00 23.12 21.96 2oho s ALA 143 CO 0.31 0.49 0.61 0.00 0.00 0.00 0.00 175.76 177.18 2oho n PRO 145 N 1.53 0.04 0.16 0.00 -0.04 -1.26 -2.56 135.00 132.87 2oho n PRO 145 Ca 0.18 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 2oho n PRO 145 Cb 0.55 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.58 2oho n PRO 145 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2oho h LYS 146 N 0.00 0.00 -5.91 0.54 1.57 -1.97 -3.41 116.57 107.39 2oho h LYS 146 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2oho h LYS 146 Cb 0.30 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 2oho h LYS 146 CO 0.00 0.31 1.48 -0.06 -0.57 0.00 0.00 179.45 180.62 2oho s PHE 147 N -3.05 2.40 0.18 -1.35 0.40 -1.06 -4.98 117.98 110.51 2oho s PHE 147 Ca 0.05 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 2oho s PHE 147 Cb 0.07 -4.52 -0.03 0.00 0.51 0.00 0.00 43.02 39.04 2oho s PHE 147 CO 0.72 -1.80 0.29 0.14 0.70 0.00 0.00 175.22 175.27 2oho s VAL 148 N 6.38 5.21 -0.23 -0.44 -7.23 -1.26 -5.03 120.40 117.81 2oho s VAL 148 Ca 0.55 -0.82 -0.33 0.00 -1.81 0.00 0.00 61.98 59.56 2oho s VAL 148 Cb -0.00 -3.73 -0.10 0.00 0.56 0.00 0.00 36.38 33.11 2oho s VAL 148 CO -0.02 -0.16 2.08 -2.65 -0.31 0.00 0.00 175.10 174.04 2oho n PRO 149 N -0.78 1.66 -4.41 4.82 -0.02 -1.26 -4.97 135.00 130.04 2oho n PRO 149 Ca -0.08 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 2oho n PRO 149 Cb 0.55 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 2oho n PRO 149 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2oho s ILE 150 N 6.32 4.17 -0.05 4.25 1.01 -1.26 -5.05 121.20 130.60 2oho s ILE 150 Ca 1.01 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 61.20 2oho s ILE 150 Cb -0.69 -2.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.91 2oho s ILE 150 CO 0.47 0.59 0.70 -0.37 0.00 0.00 0.00 174.94 176.33 2oho h VAL 151 N 4.31 0.42 -2.24 2.92 -1.51 -1.97 -3.38 116.25 114.79 2oho h VAL 151 Ca -0.48 -0.90 -0.59 0.00 -1.23 0.00 0.00 66.70 63.51 2oho h VAL 151 Cb 1.19 0.71 -0.42 0.00 -2.13 0.00 0.00 31.29 30.64 2oho h VAL 151 CO 0.55 0.11 -0.66 -0.62 -1.23 0.00 0.00 177.57 175.72 2oho n GLU 152 N -5.00 2.91 0.05 5.19 1.02 -1.26 -4.88 120.64 118.67 2oho n GLU 152 Ca -0.07 -4.72 0.22 0.00 -0.02 0.00 0.00 57.16 52.57 2oho n GLU 152 Cb 0.23 -2.20 0.72 0.00 -0.02 0.00 0.00 31.44 30.16 2oho n GLU 152 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2oho h SER 153 N 3.32 0.00 0.38 1.62 4.64 -1.90 0.22 113.55 121.84 2oho h SER 153 Ca 0.15 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 2oho h SER 153 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2oho h SER 153 CO 0.80 0.00 -0.20 -0.55 -0.87 0.00 0.00 176.83 176.02 2oho h ASN 154 N 0.00 0.00 0.72 4.97 -1.07 -1.89 -2.16 115.58 116.14 2oho h ASN 154 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.60 2oho h ASN 154 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2oho h ASN 154 CO -0.00 0.20 0.00 -0.62 0.07 0.00 0.00 177.43 177.07 2oho n GLU 155 N -3.84 0.08 -3.19 4.14 -0.58 0.77 -4.72 120.64 113.29 2oho n GLU 155 Ca -0.02 0.27 -0.37 0.00 -0.42 0.00 0.00 57.16 56.62 2oho n GLU 155 Cb 0.29 -1.64 -0.06 0.00 -0.57 0.00 0.00 31.44 29.46 2oho n GLU 155 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2oho s MET 156 N -3.11 4.19 -0.08 3.49 1.75 -0.82 -4.97 119.30 119.76 2oho s MET 156 Ca 0.07 0.76 -0.36 0.00 -1.25 0.00 0.00 55.69 54.91 2oho s MET 156 Cb 0.11 -2.99 -0.14 0.00 2.84 0.00 0.00 34.83 34.65 2oho s MET 156 CO 0.37 0.48 1.71 0.00 -0.65 0.00 0.00 175.02 176.92 2oho h SER 158 N 7.35 0.59 0.96 0.00 4.64 -1.92 0.21 113.55 125.38 2oho h SER 158 Ca -0.47 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2oho h SER 158 Cb 1.29 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2oho h SER 158 CO 0.92 0.27 -0.04 0.77 -0.87 0.00 0.00 176.83 177.88 2oho h SER 159 N 0.61 0.00 0.14 4.97 4.64 -1.99 0.58 113.55 122.49 2oho h SER 159 Ca 0.47 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.59 2oho h SER 159 Cb 0.87 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.98 2oho h SER 159 CO -0.21 0.04 -0.86 0.40 -0.87 0.00 0.00 176.83 175.32 2oho h ILE 160 N 0.00 1.49 -0.56 0.95 2.04 -0.97 -3.11 117.51 117.35 2oho h ILE 160 Ca -0.00 -2.52 -0.06 0.00 1.00 0.00 0.00 64.86 63.28 2oho h ILE 160 Cb 0.53 3.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.72 2oho h ILE 160 CO 0.00 0.72 0.11 0.00 0.00 0.00 0.00 178.15 178.98 2oho h ALA 161 N 0.11 1.13 -0.47 1.87 0.00 -0.97 -2.39 119.26 118.54 2oho h ALA 161 Ca -0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2oho h ALA 161 Cb 1.67 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2oho h ALA 161 CO 0.16 0.58 0.24 -0.22 0.00 0.00 0.00 179.25 180.01 2oho h LYS 162 N 0.84 0.67 -0.27 0.00 3.64 -0.96 0.28 116.57 120.77 2oho h LYS 162 Ca 0.18 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2oho h LYS 162 Cb 0.35 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2oho h LYS 162 CO 0.00 0.55 0.13 -0.22 -2.27 0.00 0.00 179.45 177.65 2oho h LYS 163 N 0.62 0.38 -0.58 1.90 1.63 -1.44 -0.31 116.57 118.77 2oho h LYS 163 Ca 0.16 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 2oho h LYS 163 Cb 0.09 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2oho h LYS 163 CO -0.02 0.36 0.14 0.82 -3.45 0.00 0.00 179.45 177.30 2oho h ILE 164 N 0.30 1.25 0.80 2.00 2.04 -1.22 -1.10 117.51 121.58 2oho h ILE 164 Ca 0.09 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 2oho h ILE 164 Cb 0.10 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2oho h ILE 164 CO -0.01 0.33 -0.38 0.58 0.00 0.00 0.00 178.15 178.67 2oho h VAL 165 N 0.83 0.00 -0.90 1.67 2.07 -0.31 -3.07 116.25 116.54 2oho h VAL 165 Ca 0.18 -0.21 0.22 0.00 0.82 0.00 0.00 66.70 67.72 2oho h VAL 165 Cb 0.35 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.00 2oho h VAL 165 CO 0.00 0.00 0.39 0.22 0.02 0.00 0.00 177.57 178.20 2oho h TYR 166 N -1.28 0.65 -0.30 1.57 3.20 -1.07 0.20 116.97 119.94 2oho h TYR 166 Ca -0.11 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.89 2oho h TYR 166 Cb 0.82 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2oho h TYR 166 CO 0.00 -0.06 0.42 0.22 -1.64 0.00 0.00 178.16 177.10 2oho h ASP 167 N 0.39 0.00 0.00 -2.11 1.82 -1.10 0.24 116.42 115.67 2oho h ASP 167 Ca 0.57 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.86 2oho h ASP 167 Cb 1.08 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.03 2oho h ASP 167 CO -0.54 0.00 -2.30 -1.20 -1.61 0.00 0.00 179.24 173.60 2oho n SER 168 N -3.49 1.42 -0.93 2.28 7.64 0.59 -4.53 113.62 116.61 2oho n SER 168 Ca 0.05 -0.07 0.07 0.00 1.01 0.00 0.00 58.87 59.93 2oho n SER 168 Cb 0.56 0.23 0.21 0.00 -1.01 0.00 0.00 64.21 64.20 2oho n SER 168 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2oho n LEU 169 N -2.95 2.68 0.02 -3.43 4.77 -0.51 -4.52 117.00 113.06 2oho n LEU 169 Ca -0.36 -1.35 -0.11 0.00 -0.03 0.00 0.00 56.01 54.16 2oho n LEU 169 Cb 1.01 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 2oho n LEU 169 CO 0.30 0.59 0.88 0.00 -1.33 0.00 0.00 177.39 177.83 2oho h ALA 170 N 3.73 0.05 -0.86 -1.18 0.00 -0.79 -2.74 119.26 117.48 2oho h ALA 170 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2oho h ALA 170 Cb 0.74 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2oho h ALA 170 CO 0.05 -0.46 0.56 -1.35 0.00 0.00 0.00 179.25 178.05 2oho h PRO 171 N 0.05 0.57 0.00 0.00 0.11 -1.87 -1.76 132.00 129.10 2oho h PRO 171 Ca 0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 2oho h PRO 171 Cb 0.01 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 2oho h PRO 171 CO -0.02 0.38 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.71 2oho h LEU 172 N 0.59 0.00 -9.14 2.35 4.07 -1.86 -3.46 115.31 107.85 2oho h LEU 172 Ca 0.43 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 57.69 2oho h LEU 172 Cb 0.81 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.56 2oho h LEU 172 CO -0.18 0.37 0.99 0.52 -1.08 0.00 0.00 178.44 179.06 2oho n VAL 173 N -3.22 0.38 -1.15 1.22 0.31 -0.66 -4.20 118.33 111.01 2oho n VAL 173 Ca 0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2oho n VAL 173 Cb 0.66 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 2oho n VAL 173 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oho n GLY 174 N 4.40 0.66 0.00 2.92 0.00 -1.26 -5.07 105.19 106.84 2oho n GLY 174 Ca 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2oho n GLY 174 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2oho n ILE 176 N -0.79 0.00 0.99 -0.61 -5.35 -1.26 -5.16 119.36 107.18 2oho n ILE 176 Ca 0.00 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 2oho n ILE 176 Cb 0.32 0.00 0.07 0.00 -1.74 0.00 0.00 39.64 38.29 2oho n ILE 176 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2oho n ASP 177 N 0.00 2.69 -3.70 7.28 5.68 0.67 -4.81 116.55 124.35 2oho n ASP 177 Ca 0.00 -1.84 -0.11 0.00 -0.50 0.00 0.00 54.79 52.34 2oho n ASP 177 Cb 0.00 0.15 -0.11 0.00 -1.14 0.00 0.00 41.12 40.02 2oho n ASP 177 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2oho s THR 178 N -2.13 -0.02 -0.14 2.12 2.01 -1.08 -2.47 115.64 113.94 2oho s THR 178 Ca 0.25 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.34 2oho s THR 178 Cb 0.19 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 72.12 2oho s THR 178 CO 0.38 0.03 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.92 2oho s LEU 179 N 1.13 2.00 -0.14 4.42 2.96 -0.18 0.21 118.68 129.07 2oho s LEU 179 Ca -0.07 -0.57 -0.14 0.00 -0.22 0.00 0.00 54.13 53.13 2oho s LEU 179 Cb -0.07 -1.36 -0.05 0.00 0.50 0.00 0.00 46.19 45.22 2oho s LEU 179 CO -0.10 0.05 0.30 -0.69 -1.32 0.00 0.00 176.35 174.59 2oho s VAL 180 N 0.97 5.29 -1.07 1.68 1.01 0.50 -0.19 120.40 128.59 2oho s VAL 180 Ca -0.04 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 2oho s VAL 180 Cb -0.15 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.72 2oho s VAL 180 CO -0.04 0.41 1.33 -0.76 0.00 0.00 0.00 175.10 176.04 2oho s LEU 181 N 0.29 4.73 0.00 3.92 1.43 -0.35 -2.21 118.68 126.49 2oho s LEU 181 Ca 0.17 -2.32 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 2oho s LEU 181 Cb -0.13 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.65 2oho s LEU 181 CO 0.05 -1.03 0.39 0.61 0.23 0.00 0.00 176.35 176.60 2oho n GLY 182 N 5.21 1.05 2.84 -3.19 0.00 0.75 -4.38 105.19 107.47 2oho n GLY 182 Ca 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 2oho n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oho h THR 184 N 5.79 0.73 -0.01 0.00 1.35 -1.85 -2.36 112.91 116.55 2oho h THR 184 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2oho h THR 184 Cb 1.16 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2oho h THR 184 CO 0.48 0.00 -0.23 0.00 -0.25 0.00 0.00 175.52 175.52 2oho n HIS 185 N -4.15 0.00 0.15 4.73 -0.00 -1.26 -4.28 115.22 110.41 2oho n HIS 185 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.73 2oho n HIS 185 Cb 0.12 -0.05 0.45 0.00 -0.00 0.00 0.00 29.99 30.50 2oho n HIS 185 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.34 178.22 2oho h TYR 186 N 2.25 0.19 0.00 -1.40 0.99 -1.79 -2.66 116.97 114.55 2oho h TYR 186 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2oho h TYR 186 Cb 0.64 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 38.31 2oho h TYR 186 CO 0.00 0.28 0.10 -1.35 -0.00 0.00 0.00 178.16 177.19 2oho h PRO 187 N 0.18 0.00 0.00 4.88 0.11 -1.76 0.16 132.00 135.57 2oho h PRO 187 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2oho h PRO 187 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2oho h PRO 187 CO 0.01 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.73 2oho h LEU 188 N 0.00 0.00 -3.24 2.35 3.38 -1.79 -2.63 115.31 113.38 2oho h LEU 188 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2oho h LEU 188 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2oho h LEU 188 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2oho n LEU 189 N -2.60 4.00 0.12 1.67 4.77 0.54 -4.76 117.00 120.75 2oho n LEU 189 Ca 0.03 -2.85 -0.15 0.00 -0.03 0.00 0.00 56.01 53.00 2oho n LEU 189 Cb 0.33 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 2oho n LEU 189 CO 0.26 0.68 0.57 -0.09 -1.33 0.00 0.00 177.39 177.48 2oho h ARG 190 N 2.17 -0.67 -0.95 3.23 2.43 -1.45 -2.14 114.38 117.01 2oho h ARG 190 Ca 0.00 0.05 0.26 0.00 -0.81 0.00 0.00 59.98 59.47 2oho h ARG 190 Cb 1.41 0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 30.98 2oho h ARG 190 CO 0.22 -0.44 0.45 -1.35 -1.51 0.00 0.00 179.97 177.34 2oho h PRO 191 N -0.69 0.36 0.13 0.20 0.11 -1.87 0.59 132.00 130.83 2oho h PRO 191 Ca 0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2oho h PRO 191 Cb 0.71 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2oho h PRO 191 CO -0.24 0.24 -0.06 0.82 -0.21 0.00 0.00 178.00 178.55 2oho h ILE 192 N 0.37 1.03 -0.80 4.15 5.03 -1.91 -1.52 117.51 123.87 2oho h ILE 192 Ca 0.63 -1.10 0.15 0.00 -0.12 0.00 0.00 64.86 64.43 2oho h ILE 192 Cb 1.29 1.67 -0.10 0.00 -3.03 0.00 0.00 36.82 36.65 2oho h ILE 192 CO -0.57 0.24 0.34 0.40 -0.68 0.00 0.00 178.15 177.88 2oho h ILE 193 N -0.73 0.64 -0.60 -0.67 2.04 -0.63 0.49 117.51 118.05 2oho h ILE 193 Ca -0.02 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2oho h ILE 193 Cb 0.53 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2oho h ILE 193 CO 0.03 0.09 0.26 -0.61 0.00 0.00 0.00 178.15 177.91 2oho h GLN 194 N 0.47 0.89 0.67 2.37 5.75 0.19 -0.19 115.11 125.26 2oho h GLN 194 Ca 0.45 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.76 2oho h GLN 194 Cb 0.70 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 29.11 2oho h GLN 194 CO -0.42 0.74 -0.32 -0.97 -2.65 0.00 0.00 178.83 175.21 2oho h ASN 195 N 0.83 -0.76 -1.00 -0.69 -0.00 0.26 -2.18 115.58 112.03 2oho h ASN 195 Ca 0.20 -0.00 0.20 0.00 -0.00 0.00 0.00 56.30 56.70 2oho h ASN 195 Cb 0.17 0.20 -0.11 0.00 -0.00 0.00 0.00 38.32 38.58 2oho h ASN 195 CO -0.02 -0.41 0.61 0.58 -0.00 0.00 0.00 177.43 178.20 2oho h VAL 196 N -1.15 0.68 -0.00 2.57 2.07 -0.11 0.11 116.25 120.42 2oho h VAL 196 Ca -0.09 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2oho h VAL 196 Cb 0.72 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2oho h VAL 196 CO 0.15 0.13 -0.03 0.23 0.02 0.00 0.00 177.57 178.07 2oho n MET 197 N -4.78 0.98 -0.21 1.57 2.81 -0.09 -4.96 117.12 112.44 2oho n MET 197 Ca 0.24 -0.25 0.03 0.00 -1.81 0.00 0.00 57.70 55.91 2oho n MET 197 Cb 0.60 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.61 2oho n MET 197 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oho n GLY 198 N 1.14 -2.23 0.00 3.03 0.00 0.02 -4.37 105.19 102.78 2oho n GLY 198 Ca 0.19 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.91 2oho n GLY 198 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oho n PRO 199 N -2.65 0.25 -0.35 1.61 -0.04 -1.26 -3.59 135.00 128.97 2oho n PRO 199 Ca -0.01 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2oho n PRO 199 Cb 0.10 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.37 2oho n PRO 199 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2oho n SER 200 N -1.36 3.75 -4.31 3.54 3.41 -1.26 -4.84 113.62 112.55 2oho n SER 200 Ca 0.10 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.35 2oho n SER 200 Cb 0.24 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 2oho n SER 200 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2oho s VAL 201 N -1.07 3.70 -0.08 -3.33 1.01 -1.24 -4.76 120.40 114.63 2oho s VAL 201 Ca 0.47 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 2oho s VAL 201 Cb 0.24 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2oho s VAL 201 CO 0.32 0.08 0.94 -0.75 0.00 0.00 0.00 175.10 175.69 2oho s LYS 202 N 1.45 4.44 -0.04 2.72 2.36 -1.03 -4.84 119.74 124.80 2oho s LYS 202 Ca 0.02 1.29 -0.17 0.00 -2.55 0.00 0.00 55.97 54.55 2oho s LYS 202 Cb -0.17 -3.51 -0.05 0.00 -1.05 0.00 0.00 37.83 33.04 2oho s LYS 202 CO 0.01 -0.21 0.48 -0.51 1.55 0.00 0.00 175.35 176.67 2oho s LEU 203 N 1.63 4.39 -0.24 5.43 1.02 -1.26 -1.01 118.68 128.65 2oho s LEU 203 Ca 0.47 0.96 -0.06 0.00 0.02 0.00 0.00 54.13 55.51 2oho s LEU 203 Cb -0.19 -2.71 -0.02 0.00 0.02 0.00 0.00 46.19 43.29 2oho s LEU 203 CO 0.20 0.16 0.04 -0.63 0.02 0.00 0.00 176.35 176.14 2oho s ILE 204 N -0.29 4.06 -0.71 -0.59 -1.09 0.74 -4.94 121.20 118.37 2oho s ILE 204 Ca 0.26 -0.26 -0.14 0.00 -2.23 0.00 0.00 60.65 58.28 2oho s ILE 204 Cb -0.17 -2.89 0.18 0.00 -1.58 0.00 0.00 42.46 38.01 2oho s ILE 204 CO 0.13 0.37 0.65 -0.62 -1.23 0.00 0.00 174.94 174.24 2oho s ASP 205 N 1.53 6.47 0.24 3.58 3.68 -1.26 -1.21 116.67 129.71 2oho s ASP 205 Ca 0.06 -2.37 -0.07 0.00 2.13 0.00 0.00 52.55 52.31 2oho s ASP 205 Cb -0.15 -2.19 0.43 0.00 -1.45 0.00 0.00 42.92 39.57 2oho s ASP 205 CO 0.02 -0.67 1.65 0.28 0.13 0.00 0.00 175.17 176.58 2oho h SER 206 N 8.15 -0.23 -0.86 -0.34 0.02 -1.86 -1.06 113.55 117.36 2oho h SER 206 Ca -0.05 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2oho h SER 206 Cb 1.06 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.84 2oho h SER 206 CO 0.85 -0.13 0.57 1.23 -1.14 0.00 0.00 176.83 178.21 2oho h GLY 207 N 0.15 1.23 1.53 -3.77 0.00 -1.89 0.05 103.07 100.37 2oho h GLY 207 Ca 0.40 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 2oho h GLY 207 CO -0.60 0.38 -0.63 0.00 0.00 0.00 0.00 176.54 175.69 2oho h ALA 208 N 1.49 0.66 -0.13 3.60 0.00 -1.60 -2.21 119.26 121.07 2oho h ALA 208 Ca 0.34 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2oho h ALA 208 Cb -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2oho h ALA 208 CO -0.10 0.72 -0.42 0.93 0.00 0.00 0.00 179.25 180.38 2oho h GLU 209 N 0.35 0.31 -0.16 0.00 4.39 -0.81 -2.84 114.58 115.82 2oho h GLU 209 Ca -0.01 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2oho h GLU 209 Cb 1.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2oho h GLU 209 CO 0.11 0.68 0.02 0.00 -1.16 0.00 0.00 179.01 178.67 2oho h VAL 211 N 0.06 0.99 -0.40 0.00 2.07 -1.32 0.45 116.25 118.08 2oho h VAL 211 Ca 0.05 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 2oho h VAL 211 Cb 0.31 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2oho h VAL 211 CO 0.00 0.09 -0.16 -0.09 0.02 0.00 0.00 177.57 177.44 2oho h ARG 212 N 0.48 0.75 -0.29 1.57 2.43 -1.23 -2.74 114.38 115.35 2oho h ARG 212 Ca 0.22 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2oho h ARG 212 Cb 0.28 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2oho h ARG 212 CO -0.06 0.86 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.79 2oho h ASP 213 N 0.67 0.54 -0.82 -3.80 5.19 -0.61 -3.10 116.42 114.49 2oho h ASP 213 Ca 0.11 -0.34 0.20 0.00 -0.62 0.00 0.00 57.03 56.38 2oho h ASP 213 Cb 0.64 -0.15 -0.13 0.00 0.18 0.00 0.00 39.33 39.87 2oho h ASP 213 CO 0.04 0.75 0.14 0.40 -3.12 0.00 0.00 179.24 177.45 2oho h ILE 214 N 0.32 0.35 -0.08 0.35 2.04 -0.69 0.84 117.51 120.64 2oho h ILE 214 Ca 0.08 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2oho h ILE 214 Cb 0.49 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2oho h ILE 214 CO 0.02 0.03 -0.14 -1.28 0.00 0.00 0.00 178.15 176.78 2oho h SER 215 N 0.18 -0.44 -0.69 1.72 0.87 -1.44 0.89 113.55 114.65 2oho h SER 215 Ca 0.48 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 61.15 2oho h SER 215 Cb 0.91 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 2oho h SER 215 CO -0.64 -0.19 0.42 0.58 -0.53 0.00 0.00 176.83 176.47 2oho h VAL 216 N -0.20 1.08 0.00 2.23 2.07 -0.87 -2.28 116.25 118.28 2oho h VAL 216 Ca 0.07 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 2oho h VAL 216 Cb 0.31 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2oho h VAL 216 CO -0.20 0.15 -0.55 -0.07 0.02 0.00 0.00 177.57 176.92 2oho h LEU 217 N 0.83 0.00 -0.74 2.57 3.38 -0.77 0.62 115.31 121.19 2oho h LEU 217 Ca 0.28 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 2oho h LEU 217 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2oho h LEU 217 CO -0.11 0.55 -0.41 -0.07 0.09 0.00 0.00 178.44 178.48 2oho h LEU 218 N 0.00 0.50 -0.07 1.67 3.38 -0.50 -0.96 115.31 119.33 2oho h LEU 218 Ca -0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2oho h LEU 218 Cb 1.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2oho h LEU 218 CO 0.07 0.86 -0.16 0.78 0.09 0.00 0.00 178.44 180.08 2oho h ASN 219 N 0.39 0.26 -0.63 -0.43 2.35 -1.18 0.90 115.58 117.23 2oho h ASN 219 Ca 0.03 -0.58 0.06 0.00 -0.55 0.00 0.00 56.30 55.26 2oho h ASN 219 Cb 0.89 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 39.13 2oho h ASN 219 CO 0.08 0.80 0.33 0.22 -1.65 0.00 0.00 177.43 177.20 2oho h TYR 220 N -0.27 0.60 -0.06 1.19 3.20 -0.73 -0.93 116.97 119.96 2oho h TYR 220 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2oho h TYR 220 Cb 0.76 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2oho h TYR 220 CO 0.12 0.26 0.00 1.19 -1.64 0.00 0.00 178.16 178.09 2oho n PHE 221 N -4.84 0.07 -3.57 -3.82 3.01 -0.38 -4.95 117.46 102.98 2oho n PHE 221 Ca 0.08 -0.04 -0.22 0.00 1.01 0.00 0.00 57.45 58.28 2oho n PHE 221 Cb 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.71 2oho n PHE 221 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2oho n ASP 222 N 0.01 -3.76 -1.73 4.37 2.03 -0.36 -4.93 116.55 112.19 2oho n ASP 222 Ca 0.18 -0.84 -0.01 0.00 0.52 0.00 0.00 54.79 54.64 2oho n ASP 222 Cb 0.30 -4.22 0.07 0.00 -0.72 0.00 0.00 41.12 36.55 2oho n ASP 222 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2oho n ILE 223 N -3.98 1.28 -2.13 5.18 -5.35 0.22 -4.92 119.36 109.66 2oho n ILE 223 Ca -0.18 -2.57 -0.36 0.00 -0.27 0.00 0.00 62.75 59.37 2oho n ILE 223 Cb 0.64 0.42 0.02 0.00 -1.74 0.00 0.00 39.64 38.97 2oho n ILE 223 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2oho s ASN 224 N -3.03 5.52 0.68 7.28 -0.87 -1.23 -4.61 114.94 118.67 2oho s ASN 224 Ca 0.36 2.31 -0.00 0.00 -1.57 0.00 0.00 52.86 53.96 2oho s ASN 224 Cb 0.37 -2.59 0.01 0.00 -0.02 0.00 0.00 41.25 39.01 2oho s ASN 224 CO -0.08 -1.36 0.05 0.61 -2.57 0.00 0.00 177.10 173.75 2oho n GLY 225 N 0.37 -0.14 3.62 0.66 0.00 -1.25 -1.86 105.19 106.60 2oho n GLY 225 Ca 0.12 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 2oho n GLY 225 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2oho s ASN 226 N -1.18 6.67 0.48 1.61 3.84 -1.26 -4.77 114.94 120.32 2oho s ASN 226 Ca 0.03 0.87 0.24 0.00 0.21 0.00 0.00 52.86 54.20 2oho s ASN 226 Cb -0.00 -2.54 1.20 0.00 -0.55 0.00 0.00 41.25 39.35 2oho s ASN 226 CO 0.02 -1.15 1.97 1.88 -2.79 0.00 0.00 177.10 177.04 2oho h TYR 227 N 9.20 0.00 -0.67 0.43 -1.99 -1.94 -3.30 116.97 118.70 2oho h TYR 227 Ca -0.24 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 60.07 2oho h TYR 227 Cb 1.08 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.63 2oho h TYR 227 CO 0.92 0.19 0.53 0.72 -0.00 0.00 0.00 178.16 180.51 2oho n HIS 228 N -3.67 1.94 -3.51 4.88 8.25 -1.26 -4.86 115.22 116.97 2oho n HIS 228 Ca -0.01 -2.21 -0.11 0.00 -0.26 0.00 0.00 57.72 55.13 2oho n HIS 228 Cb 0.31 -1.11 -0.03 0.00 1.12 0.00 0.00 29.99 30.28 2oho n HIS 228 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2oho s GLN 229 N -2.28 0.85 -0.28 -0.41 1.03 -1.25 -5.14 119.66 112.18 2oho s GLN 229 Ca 0.41 -0.13 -0.11 0.00 0.04 0.00 0.00 55.36 55.57 2oho s GLN 229 Cb 0.32 0.39 -0.05 0.00 0.03 0.00 0.00 33.01 33.70 2oho s GLN 229 CO -0.03 -0.33 0.19 0.21 -2.54 0.00 0.00 175.29 172.78 2oho s LYS 230 N -2.43 3.94 0.22 9.60 2.20 -1.26 -4.07 119.74 127.94 2oho s LYS 230 Ca 0.01 -0.33 -0.32 0.00 -0.36 0.00 0.00 55.97 54.97 2oho s LYS 230 Cb -0.01 -3.65 -0.12 0.00 -1.51 0.00 0.00 37.83 32.54 2oho s LYS 230 CO -0.04 -0.18 1.68 0.00 -0.36 0.00 0.00 175.35 176.45 2oho n ALA 231 N 5.06 2.63 -0.71 3.13 0.00 -0.29 -4.84 120.51 125.49 2oho n ALA 231 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2oho n ALA 231 Cb 0.52 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2oho n ALA 231 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2oho n VAL 232 N 3.51 0.21 -2.35 0.00 0.24 -1.26 -4.88 118.33 113.80 2oho n VAL 232 Ca 0.14 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 2oho n VAL 232 Cb 0.35 1.09 0.01 0.00 -1.47 0.00 0.00 33.84 33.81 2oho n VAL 232 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2oho n GLU 233 N -0.11 3.30 -2.45 7.34 1.02 -1.26 -5.05 120.64 123.44 2oho n GLU 233 Ca 0.00 -4.23 -0.33 0.00 -0.02 0.00 0.00 57.16 52.58 2oho n GLU 233 Cb 0.36 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 2oho n GLU 233 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2oho s HIS 234 N -3.75 3.15 -0.10 -0.32 3.76 -1.26 -4.68 115.29 112.08 2oho s HIS 234 Ca 0.49 1.55 0.01 0.00 -0.15 0.00 0.00 55.06 56.95 2oho s HIS 234 Cb 0.39 -2.95 0.02 0.00 1.11 0.00 0.00 32.58 31.15 2oho s HIS 234 CO -0.26 -0.67 -0.10 1.03 -0.85 0.00 0.00 174.74 173.89 2oho s ARG 235 N -3.60 1.69 -0.15 1.40 1.81 0.38 -4.98 118.95 115.51 2oho s ARG 235 Ca 0.64 -0.35 -0.01 0.00 -1.72 0.00 0.00 55.73 54.28 2oho s ARG 235 Cb -0.14 -1.58 -0.01 0.00 -0.45 0.00 0.00 34.95 32.77 2oho s ARG 235 CO 0.25 -0.15 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.55 2oho s PHE 236 N 1.27 2.85 0.19 -0.53 0.40 -1.26 -0.82 117.98 120.08 2oho s PHE 236 Ca -0.03 -0.69 0.08 0.00 -0.60 0.00 0.00 56.93 55.69 2oho s PHE 236 Cb -0.14 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 2oho s PHE 236 CO -0.04 -0.26 -0.16 -0.06 0.70 0.00 0.00 175.22 175.40 2oho s PHE 237 N 0.54 1.75 -0.01 0.36 0.40 0.08 -1.42 117.98 119.68 2oho s PHE 237 Ca -0.08 -0.53 -0.18 0.00 -0.60 0.00 0.00 56.93 55.54 2oho s PHE 237 Cb -0.15 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.58 2oho s PHE 237 CO 0.04 0.36 0.39 -0.08 0.70 0.00 0.00 175.22 176.62 2oho s THR 238 N -2.66 0.05 -1.97 0.64 -1.32 -1.01 -2.42 115.64 106.96 2oho s THR 238 Ca 0.20 -0.40 0.26 0.00 -1.21 0.00 0.00 61.69 60.54 2oho s THR 238 Cb -0.03 -0.73 0.25 0.00 -1.51 0.00 0.00 72.50 70.48 2oho s THR 238 CO 0.07 -0.22 1.48 0.35 -2.21 0.00 0.00 174.62 174.09 2oho n THR 239 N 1.10 0.00 -2.82 5.08 -2.24 -1.21 -0.01 114.28 114.19 2oho n THR 239 Ca -0.21 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2oho n THR 239 Cb 0.57 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2oho n THR 239 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oho n ALA 240 N -0.32 0.00 -1.51 6.98 0.00 -1.26 -4.81 120.51 119.59 2oho n ALA 240 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2oho n ALA 240 Cb 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.67 2oho n ALA 240 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2oho n ASN 241 N 0.00 -0.05 0.22 0.00 3.02 -1.26 -4.77 115.26 112.41 2oho n ASN 241 Ca 0.00 -0.24 0.05 0.00 -0.03 0.00 0.00 54.58 54.37 2oho n ASN 241 Cb 0.00 -0.89 0.51 0.00 -0.61 0.00 0.00 39.78 38.79 2oho n ASN 241 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2oho h PRO 242 N 12.38 0.02 0.29 3.52 0.13 -1.96 -2.53 132.00 143.85 2oho h PRO 242 Ca -0.03 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2oho h PRO 242 Cb 1.23 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2oho h PRO 242 CO 1.43 0.18 -0.14 0.93 -0.23 0.00 0.00 178.00 180.17 2oho h GLU 243 N 0.02 -0.38 -0.40 0.86 3.07 -1.99 -1.85 114.58 113.91 2oho h GLU 243 Ca 0.00 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 2oho h GLU 243 Cb 0.30 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 2oho h GLU 243 CO 0.02 -0.10 0.09 -0.84 -1.40 0.00 0.00 179.01 176.78 2oho h ILE 244 N -0.64 1.18 0.34 3.13 3.07 -1.94 -2.98 117.51 119.67 2oho h ILE 244 Ca -0.04 -0.65 -0.02 0.00 1.55 0.00 0.00 64.86 65.71 2oho h ILE 244 Cb 0.45 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 2oho h ILE 244 CO 0.07 0.23 -0.16 0.15 -1.05 0.00 0.00 178.15 177.39 2oho h PHE 245 N 0.57 -0.42 -0.53 0.16 3.57 -1.32 -1.74 116.94 117.23 2oho h PHE 245 Ca 0.13 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2oho h PHE 245 Cb 0.22 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 2oho h PHE 245 CO 0.01 -0.22 0.21 -0.56 -2.23 0.00 0.00 178.31 175.52 2oho h GLN 246 N -0.53 0.39 -0.66 1.11 3.07 -1.26 0.17 115.11 117.40 2oho h GLN 246 Ca -0.05 -0.02 0.08 0.00 0.09 0.00 0.00 58.65 58.75 2oho h GLN 246 Cb 0.40 -0.09 -0.06 0.00 0.08 0.00 0.00 27.48 27.81 2oho h GLN 246 CO 0.08 0.26 0.32 0.93 0.09 0.00 0.00 178.83 180.50 2oho h GLU 247 N 0.40 0.55 -0.06 0.06 4.39 -1.40 0.52 114.58 119.04 2oho h GLU 247 Ca 0.26 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2oho h GLU 247 Cb 0.27 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2oho h GLU 247 CO -0.25 0.37 -0.00 0.82 -1.16 0.00 0.00 179.01 178.79 2oho h ILE 248 N 0.57 1.26 -0.70 3.13 2.04 -0.31 -2.95 117.51 120.54 2oho h ILE 248 Ca 0.31 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 2oho h ILE 248 Cb 0.30 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2oho h ILE 248 CO -0.24 0.22 0.17 0.00 0.00 0.00 0.00 178.15 178.30 2oho h ALA 249 N 0.71 0.92 -0.34 1.87 0.00 -0.18 -1.88 119.26 120.36 2oho h ALA 249 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2oho h ALA 249 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2oho h ALA 249 CO 0.00 0.65 0.18 0.77 0.00 0.00 0.00 179.25 180.85 2oho h SER 250 N 1.06 0.41 0.11 0.00 0.02 0.01 0.10 113.55 115.26 2oho h SER 250 Ca 0.22 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.96 2oho h SER 250 Cb 0.37 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.83 2oho h SER 250 CO 0.00 0.34 -0.80 0.40 -1.14 0.00 0.00 176.83 175.63 2oho h ILE 251 N 0.47 1.48 -0.13 3.27 2.04 -1.32 -2.04 117.51 121.29 2oho h ILE 251 Ca 0.12 -2.44 -0.13 0.00 1.00 0.00 0.00 64.86 63.41 2oho h ILE 251 Cb 0.03 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 2oho h ILE 251 CO -0.02 0.70 -0.48 -0.50 0.00 0.00 0.00 178.15 177.85 2oho h TRP 252 N -0.28 0.39 -0.05 1.37 6.55 -1.13 -2.93 115.95 119.87 2oho h TRP 252 Ca -0.13 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.59 2oho h TRP 252 Cb 1.60 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.82 2oho h TRP 252 CO 0.18 0.74 0.00 1.28 -1.05 0.00 0.00 178.44 179.59 2oho n LEU 253 N -3.98 1.92 -3.86 -4.49 4.32 0.00 -4.96 117.00 105.97 2oho n LEU 253 Ca -0.02 -0.67 -0.27 0.00 -0.02 0.00 0.00 56.01 55.03 2oho n LEU 253 Cb 0.53 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2oho n LEU 253 CO 0.43 0.34 -0.17 0.29 -1.22 0.00 0.00 177.39 177.05 2oho n LYS 254 N 0.50 -2.95 -3.65 3.23 5.02 -1.00 -4.94 118.16 114.37 2oho n LYS 254 Ca 0.18 0.44 -0.01 0.00 -2.02 0.00 0.00 58.31 56.90 2oho n LYS 254 Cb 0.42 -4.48 -0.07 0.00 -0.02 0.00 0.00 35.03 30.88 2oho n LYS 254 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2oho s GLN 255 N -6.36 0.01 -0.47 1.97 -2.07 -0.80 -5.06 119.66 106.88 2oho s GLN 255 Ca 0.12 0.02 -0.27 0.00 -1.82 0.00 0.00 55.36 53.41 2oho s GLN 255 Cb -0.04 0.01 -0.03 0.00 -1.09 0.00 0.00 33.01 31.85 2oho s GLN 255 CO 0.87 -0.00 1.99 0.15 -1.32 0.00 0.00 175.29 176.99 2oho s LYS 256 N 0.32 2.75 0.08 9.60 3.01 -1.26 -4.25 119.74 129.98 2oho s LYS 256 Ca 0.03 1.13 -0.00 0.00 -1.01 0.00 0.00 55.97 56.12 2oho s LYS 256 Cb -0.04 -4.38 -0.04 0.00 -1.01 0.00 0.00 37.83 32.36 2oho s LYS 256 CO -0.14 -2.56 0.23 0.96 0.51 0.00 0.00 175.35 174.35 2oho s ILE 257 N 9.11 5.37 -0.18 2.17 -5.25 -1.26 -5.04 121.20 126.11 2oho s ILE 257 Ca 0.80 -0.40 -0.04 0.00 -0.99 0.00 0.00 60.65 60.02 2oho s ILE 257 Cb -0.18 -3.64 -0.03 0.00 2.95 0.00 0.00 42.46 41.56 2oho s ILE 257 CO 0.27 0.10 -0.02 0.21 -1.79 0.00 0.00 174.94 173.72 2oho s ASN 258 N -2.59 4.82 0.34 4.36 2.47 -1.26 -4.78 114.94 118.30 2oho s ASN 258 Ca 0.35 -0.17 0.07 0.00 0.42 0.00 0.00 52.86 53.53 2oho s ASN 258 Cb -0.13 -1.81 -0.01 0.00 -1.45 0.00 0.00 41.25 37.85 2oho s ASN 258 CO 0.28 0.11 0.46 -0.69 -3.72 0.00 0.00 177.10 173.53 2oho s VAL 259 N 0.73 3.94 -0.04 -5.21 1.01 -1.26 -4.21 120.40 115.36 2oho s VAL 259 Ca -0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2oho s VAL 259 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2oho s VAL 259 CO 0.02 -0.15 0.03 -0.70 0.00 0.00 0.00 175.10 174.30 2oho s GLU 260 N -4.16 0.13 0.18 2.72 2.12 -0.50 -5.01 118.70 114.18 2oho s GLU 260 Ca 0.45 0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.71 2oho s GLU 260 Cb -0.09 -0.53 -0.08 0.00 0.26 0.00 0.00 34.13 33.69 2oho s GLU 260 CO 0.31 -0.25 1.07 -1.58 -0.54 0.00 0.00 175.26 174.27 2oho s HIS 261 N 1.64 3.65 0.08 5.30 5.65 -1.26 -2.39 115.29 127.96 2oho s HIS 261 Ca -0.01 1.66 0.06 0.00 0.25 0.00 0.00 55.06 57.01 2oho s HIS 261 Cb -0.13 -3.22 -0.03 0.00 -1.18 0.00 0.00 32.58 28.02 2oho s HIS 261 CO -0.03 -0.41 -0.15 0.14 -0.65 0.00 0.00 174.74 173.64 2oho s VAL 262 N -0.35 1.20 -0.35 0.89 -7.23 0.99 -4.91 120.40 110.64 2oho s VAL 262 Ca 0.48 -1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 59.22 2oho s VAL 262 Cb -0.29 -1.18 0.06 0.00 0.56 0.00 0.00 36.38 35.54 2oho s VAL 262 CO 0.34 -0.23 0.11 0.28 -0.31 0.00 0.00 175.10 175.30 2oho s THR 263 N -1.36 3.56 -1.99 5.32 -1.32 -1.26 -4.06 115.64 114.52 2oho s THR 263 Ca 0.00 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 2oho s THR 263 Cb -0.09 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 2oho s THR 263 CO 0.03 -0.27 0.50 0.18 -2.21 0.00 0.00 174.62 172.84