#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iaf s MET 3 N 0.00 4.37 0.11 0.00 1.00 -1.26 0.73 119.30 124.25 3iaf s MET 3 Ca 0.00 1.07 0.06 0.00 0.00 0.00 0.00 55.69 56.82 3iaf s MET 3 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 34.83 31.26 3iaf s MET 3 CO 0.00 -0.21 -0.15 0.96 0.00 0.00 0.00 175.02 175.62 3iaf s ILE 4 N 1.71 1.30 0.73 2.53 -4.36 0.46 -4.90 121.20 118.67 3iaf s ILE 4 Ca 0.41 -1.59 -0.11 0.00 -0.26 0.00 0.00 60.65 59.10 3iaf s ILE 4 Cb -0.17 -1.41 0.03 0.00 1.25 0.00 0.00 42.46 42.16 3iaf s ILE 4 CO 0.16 -0.33 1.07 0.42 0.24 0.00 0.00 174.94 176.50 3iaf s THR 5 N -1.82 3.68 0.36 8.37 -4.23 -1.26 -0.49 115.64 120.25 3iaf s THR 5 Ca 0.06 0.55 0.04 0.00 -1.18 0.00 0.00 61.69 61.15 3iaf s THR 5 Cb -0.07 -3.29 0.27 0.00 1.34 0.00 0.00 72.50 70.75 3iaf s THR 5 CO 0.03 -0.71 2.01 1.23 -0.54 0.00 0.00 174.62 176.63 3iaf h GLY 6 N -0.85 0.86 1.51 3.99 0.00 -0.60 -2.36 103.07 105.63 3iaf h GLY 6 Ca -0.45 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 3iaf h GLY 6 CO 0.58 0.29 0.29 -1.33 0.00 0.00 0.00 176.54 176.36 3iaf h GLY 7 N 0.79 0.69 0.92 4.60 0.00 -1.67 -1.95 103.07 106.45 3iaf h GLY 7 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3iaf h GLY 7 CO -0.06 0.27 0.11 0.83 0.00 0.00 0.00 176.54 177.69 3iaf h GLU 8 N 0.66 0.35 -0.73 4.80 4.39 -1.62 -2.56 114.58 119.87 3iaf h GLU 8 Ca 0.17 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.87 3iaf h GLU 8 Cb -0.03 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.51 3iaf h GLU 8 CO -0.03 0.37 0.44 -0.07 -1.16 0.00 0.00 179.01 178.55 3iaf h LEU 9 N 0.25 0.68 -0.15 1.33 3.38 -1.28 0.17 115.31 119.70 3iaf h LEU 9 Ca 0.08 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3iaf h LEU 9 Cb 0.14 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3iaf h LEU 9 CO -0.01 0.45 -0.19 0.58 0.09 0.00 0.00 178.44 179.36 3iaf h VAL 10 N 0.82 0.51 -0.41 1.22 2.07 -1.28 -0.43 116.25 118.74 3iaf h VAL 10 Ca 0.31 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.76 3iaf h VAL 10 Cb 0.13 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3iaf h VAL 10 CO -0.15 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.00 3iaf h VAL 11 N -0.23 1.26 -0.99 2.57 2.07 -0.95 -1.84 116.25 118.14 3iaf h VAL 11 Ca 0.11 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.57 3iaf h VAL 11 Cb 0.39 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3iaf h VAL 11 CO -0.29 0.36 0.65 0.03 0.02 0.00 0.00 177.57 178.34 3iaf h ARG 12 N 0.58 1.32 -0.53 1.57 3.08 -0.46 0.28 114.38 120.21 3iaf h ARG 12 Ca 0.11 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3iaf h ARG 12 Cb 0.51 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3iaf h ARG 12 CO 0.03 0.88 -0.01 1.15 -1.07 0.00 0.00 179.97 180.95 3iaf h THR 13 N 1.35 1.26 -0.51 2.04 2.02 -0.91 -1.47 112.91 116.69 3iaf h THR 13 Ca 0.36 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.35 3iaf h THR 13 Cb -0.13 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3iaf h THR 13 CO -0.08 0.40 0.02 -0.07 0.37 0.00 0.00 175.52 176.16 3iaf h LEU 14 N 0.82 0.80 0.03 2.58 3.38 -0.73 -0.18 115.31 122.01 3iaf h LEU 14 Ca 0.15 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3iaf h LEU 14 Cb 0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3iaf h LEU 14 CO 0.03 0.86 -0.06 0.40 0.09 0.00 0.00 178.44 179.76 3iaf h ILE 15 N 0.79 0.85 -0.89 1.22 1.08 -0.21 -1.21 117.51 119.14 3iaf h ILE 15 Ca 0.15 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 3iaf h ILE 15 Cb 0.44 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 3iaf h ILE 15 CO 0.02 0.00 0.59 0.50 -0.69 0.00 0.00 178.15 178.56 3iaf h LYS 16 N -0.12 1.16 0.00 2.37 1.63 -1.03 -1.47 116.57 119.10 3iaf h LYS 16 Ca 0.01 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3iaf h LYS 16 Cb 0.13 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3iaf h LYS 16 CO -0.04 0.76 0.00 0.00 -3.45 0.00 0.00 179.45 176.72 3iaf h ALA 17 N 1.33 1.00 0.00 5.00 0.00 -0.84 -3.43 119.26 122.32 3iaf h ALA 17 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3iaf h ALA 17 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3iaf h ALA 17 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.58 3iaf n GLY 18 N -0.50 0.92 3.75 0.00 0.00 -0.55 -4.99 105.19 103.82 3iaf n GLY 18 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3iaf n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iaf s VAL 19 N -2.00 3.56 0.00 1.61 -7.23 -0.50 -4.93 120.40 110.90 3iaf s VAL 19 Ca 0.00 1.50 0.00 0.00 -1.81 0.00 0.00 61.98 61.67 3iaf s VAL 19 Cb 0.00 -3.95 0.00 0.00 0.56 0.00 0.00 36.38 32.99 3iaf s VAL 19 CO 0.00 0.33 0.24 -0.62 -0.31 0.00 0.00 175.10 174.74 3iaf n GLU 20 N 1.52 2.06 -3.81 4.82 1.02 -1.26 -4.57 120.64 120.42 3iaf n GLU 20 Ca 0.00 -0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 56.78 3iaf n GLU 20 Cb 0.45 -0.70 -0.13 0.00 -0.02 0.00 0.00 31.44 31.04 3iaf n GLU 20 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3iaf s HIS 21 N -0.36 -0.18 0.08 -0.32 3.76 -1.26 -4.23 115.29 112.78 3iaf s HIS 21 Ca 0.00 0.44 0.09 0.00 -0.15 0.00 0.00 55.06 55.45 3iaf s HIS 21 Cb 0.00 0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.70 3iaf s HIS 21 CO 0.00 -0.10 -0.25 -0.51 -0.85 0.00 0.00 174.74 173.03 3iaf s LEU 22 N 0.27 2.24 -0.12 0.89 1.02 -0.76 -4.48 118.68 117.74 3iaf s LEU 22 Ca -0.02 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.52 3iaf s LEU 22 Cb -0.03 -1.16 0.01 0.00 0.02 0.00 0.00 46.19 45.03 3iaf s LEU 22 CO -0.01 0.19 -0.22 -0.36 0.02 0.00 0.00 176.35 175.97 3iaf s PHE 23 N -0.94 2.55 0.00 0.29 0.08 -0.55 0.49 117.98 119.90 3iaf s PHE 23 Ca 0.11 -1.18 0.00 0.00 0.12 0.00 0.00 56.93 55.98 3iaf s PHE 23 Cb -0.10 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 3iaf s PHE 23 CO 0.04 -0.52 0.00 0.41 -0.10 0.00 0.00 175.22 175.05 3iaf n GLY 24 N 3.85 1.36 3.14 4.36 0.00 -0.94 0.10 105.19 117.05 3iaf n GLY 24 Ca -0.20 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 3iaf n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iaf s LEU 25 N 0.00 0.48 0.49 0.99 1.98 -1.05 -1.27 118.68 120.29 3iaf s LEU 25 Ca 0.00 0.61 -0.23 0.00 -2.89 0.00 0.00 54.13 51.63 3iaf s LEU 25 Cb 0.00 0.94 -0.07 0.00 0.66 0.00 0.00 46.19 47.72 3iaf s LEU 25 CO 0.00 -0.15 1.26 -2.28 -1.89 0.00 0.00 176.35 173.29 3iaf s HIS 26 N 0.92 2.64 0.00 5.38 5.65 -1.26 -4.35 115.29 124.27 3iaf s HIS 26 Ca -0.06 1.46 0.00 0.00 0.25 0.00 0.00 55.06 56.71 3iaf s HIS 26 Cb -0.07 -3.57 0.00 0.00 -1.18 0.00 0.00 32.58 27.75 3iaf s HIS 26 CO -0.06 -2.11 0.00 0.41 -0.65 0.00 0.00 174.74 172.32 3iaf n GLY 27 N 0.58 4.47 2.78 1.59 0.00 -1.26 -4.88 105.19 108.47 3iaf n GLY 27 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3iaf n GLY 27 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iaf n HIS 29 N 0.00 0.00 -0.52 1.61 8.25 -1.26 -2.45 115.22 120.85 3iaf n HIS 29 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 3iaf n HIS 29 Cb 0.00 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.19 3iaf n HIS 29 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3iaf n ILE 30 N 0.00 1.44 0.06 1.59 -5.35 -1.26 -4.62 119.36 111.22 3iaf n ILE 30 Ca 0.00 -1.60 0.01 0.00 -0.27 0.00 0.00 62.75 60.89 3iaf n ILE 30 Cb 0.00 0.14 0.35 0.00 -1.74 0.00 0.00 39.64 38.39 3iaf n ILE 30 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3iaf h ASP 31 N 0.13 0.36 -0.80 7.28 3.58 -1.92 -1.79 116.42 123.25 3iaf h ASP 31 Ca 0.00 -0.07 0.12 0.00 0.42 0.00 0.00 57.03 57.50 3iaf h ASP 31 Cb 0.76 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.66 3iaf h ASP 31 CO 0.01 0.47 0.52 0.71 -2.88 0.00 0.00 179.24 178.07 3iaf h THR 32 N 0.36 0.88 -0.25 2.25 1.35 -1.90 0.52 112.91 116.13 3iaf h THR 32 Ca 0.08 -0.22 -0.17 0.00 -0.55 0.00 0.00 66.41 65.54 3iaf h THR 32 Cb 0.35 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 66.95 3iaf h THR 32 CO 0.02 0.12 -0.54 0.40 -0.25 0.00 0.00 175.52 175.26 3iaf h ILE 33 N 0.64 1.29 -0.74 6.82 2.04 -1.54 -1.49 117.51 124.54 3iaf h ILE 33 Ca 0.38 -1.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.45 3iaf h ILE 33 Cb 0.60 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 3iaf h ILE 33 CO -0.15 0.56 0.30 -0.26 0.00 0.00 0.00 178.15 178.60 3iaf h PHE 34 N 0.57 1.12 -0.42 1.37 -1.00 -0.69 -1.31 116.94 116.57 3iaf h PHE 34 Ca 0.01 -0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.64 3iaf h PHE 34 Cb 1.12 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 3iaf h PHE 34 CO 0.06 0.85 -0.01 1.96 -1.61 0.00 0.00 178.31 179.56 3iaf h GLN 35 N 1.06 0.75 -0.34 1.51 1.08 -0.01 -1.24 115.11 117.91 3iaf h GLN 35 Ca 0.25 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3iaf h GLN 35 Cb 0.20 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3iaf h GLN 35 CO -0.02 0.83 0.01 0.00 -0.95 0.00 0.00 178.83 178.70 3iaf h ALA 36 N 0.89 0.46 -0.30 3.87 0.00 -1.19 -2.00 119.26 120.98 3iaf h ALA 36 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iaf h ALA 36 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3iaf h ALA 36 CO 0.02 0.21 0.17 0.00 0.00 0.00 0.00 179.25 179.65 3iaf h LEU 38 N 0.41 0.06 -0.55 0.00 6.46 -0.87 0.65 115.31 121.46 3iaf h LEU 38 Ca 0.11 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 3iaf h LEU 38 Cb 0.01 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 3iaf h LEU 38 CO -0.02 0.12 0.36 0.44 -0.62 0.00 0.00 178.44 178.72 3iaf h ASP 39 N -0.00 0.64 -0.45 1.25 3.32 -0.88 -3.08 116.42 117.22 3iaf h ASP 39 Ca 0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iaf h ASP 39 Cb 0.07 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3iaf h ASP 39 CO -0.00 0.47 0.00 1.41 -1.72 0.00 0.00 179.24 179.39 3iaf n HIS 40 N -4.70 1.52 -3.19 4.55 8.25 -0.79 -4.93 115.22 115.94 3iaf n HIS 40 Ca 0.03 -0.54 -0.23 0.00 -0.26 0.00 0.00 57.72 56.73 3iaf n HIS 40 Cb 0.02 -0.38 0.01 0.00 1.12 0.00 0.00 29.99 30.77 3iaf n HIS 40 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3iaf n ASP 41 N 0.54 -4.81 -4.50 0.41 9.92 -0.95 -4.94 116.55 112.22 3iaf n ASP 41 Ca 0.21 -0.33 -0.43 0.00 -0.53 0.00 0.00 54.79 53.71 3iaf n ASP 41 Cb 0.93 -3.93 -0.07 0.00 -0.64 0.00 0.00 41.12 37.41 3iaf n ASP 41 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3iaf s VAL 42 N -3.04 4.87 0.08 2.53 1.01 0.18 -5.02 120.40 121.01 3iaf s VAL 42 Ca 0.35 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 3iaf s VAL 42 Cb -0.17 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 3iaf s VAL 42 CO 0.43 -0.62 1.53 -2.16 0.00 0.00 0.00 175.10 174.28 3iaf s PRO 43 N 2.69 4.24 -0.30 2.72 0.04 -1.26 -4.55 135.00 138.58 3iaf s PRO 43 Ca 0.19 2.21 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 3iaf s PRO 43 Cb -0.16 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 3iaf s PRO 43 CO 0.17 -0.62 0.17 0.42 0.04 0.00 0.00 177.00 177.17 3iaf s ILE 44 N 2.05 4.93 -0.86 0.56 1.01 -1.26 -1.82 121.20 125.81 3iaf s ILE 44 Ca 0.69 -0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.95 3iaf s ILE 44 Cb -0.38 -3.43 0.05 0.00 0.01 0.00 0.00 42.46 38.71 3iaf s ILE 44 CO 0.30 0.15 1.30 -0.63 0.00 0.00 0.00 174.94 176.06 3iaf s ILE 45 N 1.68 3.97 0.06 2.92 -1.09 0.18 -4.93 121.20 124.00 3iaf s ILE 45 Ca 0.06 -0.35 -0.28 0.00 -2.23 0.00 0.00 60.65 57.85 3iaf s ILE 45 Cb -0.16 -4.93 -0.05 0.00 -1.58 0.00 0.00 42.46 35.73 3iaf s ILE 45 CO 0.08 -1.81 0.90 1.51 -1.23 0.00 0.00 174.94 174.39 3iaf s ASP 46 N 4.22 7.36 0.00 3.58 -4.77 -1.26 -2.22 116.67 123.58 3iaf s ASP 46 Ca 0.38 1.63 0.00 0.00 -3.30 0.00 0.00 52.55 51.26 3iaf s ASP 46 Cb -0.06 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 3iaf s ASP 46 CO 0.02 -0.09 0.00 0.35 0.70 0.00 0.00 175.17 176.15 3iaf n THR 47 N 3.11 0.00 0.52 2.11 -2.24 -0.40 -4.91 114.28 112.48 3iaf n THR 47 Ca 0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 3iaf n THR 47 Cb 0.50 -0.48 0.03 0.00 -2.10 0.00 0.00 70.33 68.27 3iaf n THR 47 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iaf n ARG 48 N -0.33 1.30 -3.69 -0.78 5.12 -1.26 -4.88 116.66 112.14 3iaf n ARG 48 Ca 0.00 -0.98 -0.12 0.00 -1.93 0.00 0.00 57.85 54.82 3iaf n ARG 48 Cb 0.00 -1.19 -0.09 0.00 -1.16 0.00 0.00 32.46 30.02 3iaf n ARG 48 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3iaf s HIS 49 N -1.26 -0.64 0.38 -1.55 2.46 -1.26 -5.04 115.29 108.38 3iaf s HIS 49 Ca 0.12 1.47 0.31 0.00 0.47 0.00 0.00 55.06 57.44 3iaf s HIS 49 Cb 0.10 0.26 1.55 0.00 -0.13 0.00 0.00 32.58 34.36 3iaf s HIS 49 CO 0.22 -0.32 2.09 0.93 -2.47 0.00 0.00 174.74 175.19 3iaf h GLU 50 N 5.81 0.00 -0.55 2.88 3.07 -1.90 -1.91 114.58 121.99 3iaf h GLU 50 Ca -0.30 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.45 3iaf h GLU 50 Cb 1.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 3iaf h GLU 50 CO 0.19 0.09 -0.11 0.00 -1.40 0.00 0.00 179.01 177.77 3iaf h ALA 51 N 1.91 0.76 -0.39 3.43 0.00 -1.87 -1.12 119.26 121.98 3iaf h ALA 51 Ca -0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3iaf h ALA 51 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3iaf h ALA 51 CO 0.01 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.76 3iaf h ALA 52 N 0.93 0.97 -0.25 0.00 0.00 -1.69 -1.46 119.26 117.77 3iaf h ALA 52 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3iaf h ALA 52 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3iaf h ALA 52 CO 0.05 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.98 3iaf h ALA 53 N 1.16 0.32 0.34 0.00 0.00 -1.25 -0.96 119.26 118.88 3iaf h ALA 53 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iaf h ALA 53 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iaf h ALA 53 CO 0.05 -0.04 -0.21 0.78 0.00 0.00 0.00 179.25 179.82 3iaf h GLY 54 N 0.23 -0.55 1.21 0.00 0.00 -1.10 -1.38 103.07 101.47 3iaf h GLY 54 Ca 0.08 0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.72 3iaf h GLY 54 CO -0.00 -0.21 0.34 0.45 0.00 0.00 0.00 176.54 177.12 3iaf h HIS 55 N -0.53 0.36 -0.44 5.60 3.86 -1.25 -1.67 115.15 121.08 3iaf h HIS 55 Ca -0.04 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 3iaf h HIS 55 Cb 0.44 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3iaf h HIS 55 CO -0.09 0.18 -0.14 0.00 0.86 0.00 0.00 177.93 178.74 3iaf h ALA 56 N 1.74 0.61 -0.84 2.45 0.00 -0.67 0.19 119.26 122.73 3iaf h ALA 56 Ca 0.23 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3iaf h ALA 56 Cb 0.44 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3iaf h ALA 56 CO -0.06 0.53 0.55 0.00 0.00 0.00 0.00 179.25 180.27 3iaf h ALA 57 N 0.85 1.10 0.20 0.00 0.00 -0.38 0.29 119.26 121.33 3iaf h ALA 57 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3iaf h ALA 57 Cb 0.69 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3iaf h ALA 57 CO 0.05 0.40 -0.10 0.93 0.00 0.00 0.00 179.25 180.53 3iaf h GLU 58 N 1.07 -0.26 -0.66 0.00 5.08 -1.09 -1.82 114.58 116.91 3iaf h GLU 58 Ca 0.33 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.73 3iaf h GLU 58 Cb -0.02 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3iaf h GLU 58 CO -0.11 -0.17 0.42 0.78 -1.00 0.00 0.00 179.01 178.94 3iaf h GLY 59 N -0.28 0.94 0.85 -3.84 0.00 -0.29 0.15 103.07 100.61 3iaf h GLY 59 Ca -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.01 3iaf h GLY 59 CO 0.04 0.29 0.43 -1.82 0.00 0.00 0.00 176.54 175.49 3iaf h TYR 60 N 0.84 0.81 -0.39 5.60 5.03 -0.95 -0.17 116.97 127.75 3iaf h TYR 60 Ca 0.26 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.46 3iaf h TYR 60 Cb -0.03 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 37.97 3iaf h TYR 60 CO -0.04 0.46 -0.27 0.00 -1.32 0.00 0.00 178.16 176.99 3iaf h ALA 61 N 1.30 0.78 0.11 1.82 0.00 -0.40 -1.60 119.26 121.28 3iaf h ALA 61 Ca 0.28 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 3iaf h ALA 61 Cb 0.03 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.71 3iaf h ALA 61 CO -0.11 0.65 -1.08 0.00 0.00 0.00 0.00 179.25 178.71 3iaf h ARG 62 N 0.70 0.53 0.00 0.00 3.08 -0.49 -1.13 114.38 117.07 3iaf h ARG 62 Ca 0.09 -0.72 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3iaf h ARG 62 Cb 0.81 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3iaf h ARG 62 CO 0.07 1.32 -0.12 0.00 -1.07 0.00 0.00 179.97 180.17 3iaf h ALA 63 N 0.24 0.93 0.00 0.04 0.00 -1.11 -3.30 119.26 116.07 3iaf h ALA 63 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iaf h ALA 63 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3iaf h ALA 63 CO 0.21 0.00 -0.77 0.41 0.00 0.00 0.00 179.25 179.10 3iaf n GLY 64 N 1.23 -0.37 3.93 0.00 0.00 -0.60 -4.84 105.19 104.54 3iaf n GLY 64 Ca 0.05 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 3iaf n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf n ALA 65 N -1.40 -1.86 -3.50 4.61 0.00 -0.46 -4.98 120.51 112.92 3iaf n ALA 65 Ca 0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 3iaf n ALA 65 Cb 0.24 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 3iaf n ALA 65 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3iaf n LYS 66 N -4.40 0.23 -2.55 0.00 2.85 -1.03 -4.94 118.16 108.32 3iaf n LYS 66 Ca -0.23 -1.33 -0.41 0.00 -1.05 0.00 0.00 58.31 55.29 3iaf n LYS 66 Cb 0.65 1.16 -0.04 0.00 -0.65 0.00 0.00 35.03 36.15 3iaf n LYS 66 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3iaf s LEU 67 N 0.00 4.51 -0.06 -5.58 2.96 -1.26 -4.40 118.68 114.85 3iaf s LEU 67 Ca 0.15 2.08 -0.03 0.00 -0.22 0.00 0.00 54.13 56.11 3iaf s LEU 67 Cb 0.00 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3iaf s LEU 67 CO 0.11 -0.17 0.09 -0.83 -1.32 0.00 0.00 176.35 174.23 3iaf s GLY 68 N -0.29 2.03 -0.17 7.98 0.00 -0.82 -4.70 107.32 111.35 3iaf s GLY 68 Ca 0.48 -0.78 -0.00 0.00 0.00 0.00 0.00 44.72 44.41 3iaf s GLY 68 CO 0.35 -0.60 -0.07 0.14 0.00 0.00 0.00 173.10 172.93 3iaf s VAL 69 N -1.09 1.25 -0.11 1.40 1.01 -1.26 -0.01 120.40 121.59 3iaf s VAL 69 Ca 0.19 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3iaf s VAL 69 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3iaf s VAL 69 CO 0.09 0.15 0.13 0.00 0.00 0.00 0.00 175.10 175.47 3iaf s ALA 70 N 1.57 3.82 -0.28 5.51 0.00 -0.43 -1.48 121.76 130.47 3iaf s ALA 70 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3iaf s ALA 70 Cb -0.15 -1.91 0.08 0.00 0.00 0.00 0.00 23.12 21.14 3iaf s ALA 70 CO -0.08 0.63 0.02 -1.17 0.00 0.00 0.00 175.76 175.16 3iaf s LEU 71 N -1.09 3.08 0.20 0.00 0.20 0.11 -1.07 118.68 120.11 3iaf s LEU 71 Ca 0.16 -1.57 0.10 0.00 0.69 0.00 0.00 54.13 53.50 3iaf s LEU 71 Cb -0.12 -1.21 -0.04 0.00 -0.43 0.00 0.00 46.19 44.38 3iaf s LEU 71 CO 0.05 -0.33 -0.19 0.68 -0.29 0.00 0.00 176.35 176.27 3iaf s VAL 72 N 1.32 2.04 0.68 1.68 -7.23 -0.24 -2.53 120.40 116.12 3iaf s VAL 72 Ca 0.03 -2.08 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 3iaf s VAL 72 Cb -0.18 -2.02 0.10 0.00 0.56 0.00 0.00 36.38 34.83 3iaf s VAL 72 CO -0.12 -0.33 0.94 0.28 -0.31 0.00 0.00 175.10 175.56 3iaf s THR 73 N -2.19 2.30 0.73 5.32 -1.32 -1.26 -1.13 115.64 118.09 3iaf s THR 73 Ca 0.20 -0.57 -0.16 0.00 -1.21 0.00 0.00 61.69 59.96 3iaf s THR 73 Cb -0.05 -2.73 0.02 0.00 -1.51 0.00 0.00 72.50 68.23 3iaf s THR 73 CO 0.09 0.00 1.06 0.00 -2.21 0.00 0.00 174.62 173.56 3iaf n ALA 74 N -2.73 -0.02 -0.50 11.08 0.00 -1.22 -1.49 120.51 125.63 3iaf n ALA 74 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3iaf n ALA 74 Cb 0.60 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3iaf n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 75 N 0.94 1.68 0.28 0.00 0.00 -1.14 -2.86 105.19 104.10 3iaf n GLY 75 Ca 0.13 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3iaf n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iaf h GLY 76 N 0.00 0.61 0.15 -0.02 0.00 -1.89 -1.45 103.07 100.48 3iaf h GLY 76 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.09 3iaf h GLY 76 CO 0.00 0.31 -0.12 -1.33 0.00 0.00 0.00 176.54 175.40 3iaf h GLY 77 N 0.79 0.26 0.62 4.60 0.00 -1.57 0.49 103.07 108.25 3iaf h GLY 77 Ca 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3iaf h GLY 77 CO -0.00 -0.16 -0.07 -2.75 0.00 0.00 0.00 176.54 173.55 3iaf h PHE 78 N -0.03 -0.19 -0.50 5.60 3.57 -0.78 -3.15 116.94 121.46 3iaf h PHE 78 Ca 0.20 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 3iaf h PHE 78 Cb 0.32 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3iaf h PHE 78 CO -0.37 0.18 0.33 1.79 -2.23 0.00 0.00 178.31 178.01 3iaf h THR 79 N -0.59 1.07 0.00 4.41 1.35 -1.10 0.10 112.91 118.15 3iaf h THR 79 Ca -0.02 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3iaf h THR 79 Cb 0.45 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3iaf h THR 79 CO 0.03 0.11 0.00 0.78 -0.25 0.00 0.00 175.52 176.19 3iaf h ASN 80 N 0.59 0.00 0.05 5.36 2.35 -0.95 -2.74 115.58 120.24 3iaf h ASN 80 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3iaf h ASN 80 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3iaf h ASN 80 CO -0.05 0.00 -0.11 0.00 -1.65 0.00 0.00 177.43 175.62 3iaf n ALA 81 N -2.08 2.79 -0.23 -0.83 0.00 0.34 -2.76 120.51 117.73 3iaf n ALA 81 Ca -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 3iaf n ALA 81 Cb 0.23 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.65 3iaf n ALA 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iaf h VAL 82 N 2.39 1.20 -0.06 0.00 2.07 -1.37 -1.83 116.25 118.64 3iaf h VAL 82 Ca 0.00 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3iaf h VAL 82 Cb 0.60 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3iaf h VAL 82 CO 0.00 0.21 0.03 0.74 0.02 0.00 0.00 177.57 178.57 3iaf h THR 83 N 0.88 1.12 -1.00 2.57 2.02 -1.81 -0.30 112.91 116.39 3iaf h THR 83 Ca 0.23 -0.34 0.14 0.00 0.77 0.00 0.00 66.41 67.21 3iaf h THR 83 Cb 0.01 1.23 -0.09 0.00 -1.74 0.00 0.00 68.15 67.56 3iaf h THR 83 CO -0.04 0.10 0.63 -0.65 0.37 0.00 0.00 175.52 175.92 3iaf h PRO 84 N -0.03 0.90 0.31 6.66 0.11 -1.83 0.67 132.00 138.78 3iaf h PRO 84 Ca 0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3iaf h PRO 84 Cb 0.13 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3iaf h PRO 84 CO -0.00 0.59 -0.16 0.82 -0.21 0.00 0.00 178.00 179.04 3iaf h ILE 85 N 0.92 0.67 -0.10 4.15 2.04 -0.70 -0.39 117.51 124.11 3iaf h ILE 85 Ca 0.52 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.31 3iaf h ILE 85 Cb 0.60 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3iaf h ILE 85 CO -0.29 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.64 3iaf h ALA 86 N 0.26 1.45 -0.23 1.87 0.00 -0.85 -1.52 119.26 120.23 3iaf h ALA 86 Ca -0.04 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3iaf h ALA 86 Cb 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3iaf h ALA 86 CO 0.06 0.39 -0.30 -0.97 0.00 0.00 0.00 179.25 178.43 3iaf h ASN 87 N 0.15 0.67 -0.02 0.00 -1.24 -0.67 -2.61 115.58 111.86 3iaf h ASN 87 Ca 0.03 -0.50 -0.04 0.00 0.71 0.00 0.00 56.30 56.49 3iaf h ASN 87 Cb 0.49 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 3iaf h ASN 87 CO 0.03 1.04 -0.09 0.00 -1.29 0.00 0.00 177.43 177.12 3iaf h ALA 88 N 0.65 1.53 -0.06 1.57 0.00 -0.78 -2.03 119.26 120.14 3iaf h ALA 88 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iaf h ALA 88 Cb 0.88 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3iaf h ALA 88 CO 0.07 0.34 0.02 2.35 0.00 0.00 0.00 179.25 182.03 3iaf h TRP 89 N 0.26 0.09 0.00 0.00 2.91 -1.14 -1.63 115.95 116.44 3iaf h TRP 89 Ca 0.05 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.99 3iaf h TRP 89 Cb 0.33 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 3iaf h TRP 89 CO 0.01 0.25 -0.36 -0.07 -1.03 0.00 0.00 178.44 177.24 3iaf h LEU 90 N -0.09 0.00 -1.21 0.65 3.38 -1.40 -3.20 115.31 113.44 3iaf h LEU 90 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3iaf h LEU 90 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3iaf h LEU 90 CO -0.00 0.36 0.00 0.47 0.09 0.00 0.00 178.44 179.36 3iaf n ASP 91 N -3.25 1.86 -3.88 -0.43 9.92 -0.77 -4.66 116.55 115.34 3iaf n ASP 91 Ca 0.02 -1.65 -0.25 0.00 -0.53 0.00 0.00 54.79 52.38 3iaf n ASP 91 Cb 0.63 -0.04 -0.00 0.00 -0.64 0.00 0.00 41.12 41.07 3iaf n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3iaf n ARG 92 N 0.45 -4.00 -4.52 -1.24 1.74 -0.73 -4.95 116.66 103.42 3iaf n ARG 92 Ca 0.18 0.49 -0.34 0.00 -0.77 0.00 0.00 57.85 57.41 3iaf n ARG 92 Cb 0.40 -4.85 -0.10 0.00 -1.02 0.00 0.00 32.46 26.88 3iaf n ARG 92 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3iaf s THR 93 N -3.77 3.92 -0.62 0.55 -4.23 -0.69 -4.33 115.64 106.47 3iaf s THR 93 Ca 0.10 -0.43 -0.23 0.00 -1.18 0.00 0.00 61.69 59.95 3iaf s THR 93 Cb -0.05 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.21 3iaf s THR 93 CO 0.86 0.58 0.95 -2.16 -0.54 0.00 0.00 174.62 174.31 3iaf s PRO 94 N -0.91 3.19 -0.06 3.99 0.04 -1.26 -3.10 135.00 136.88 3iaf s PRO 94 Ca 0.13 -0.62 0.03 0.00 0.04 0.00 0.00 61.00 60.58 3iaf s PRO 94 Cb -0.11 -4.16 0.01 0.00 0.04 0.00 0.00 34.50 30.28 3iaf s PRO 94 CO 0.03 -1.68 -0.15 0.08 0.04 0.00 0.00 177.00 175.32 3iaf s VAL 95 N 4.01 1.30 -0.31 -0.36 1.01 -1.23 -1.94 120.40 122.88 3iaf s VAL 95 Ca 0.25 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 3iaf s VAL 95 Cb -0.15 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3iaf s VAL 95 CO 0.14 0.39 0.72 -0.22 0.00 0.00 0.00 175.10 176.13 3iaf s LEU 96 N 0.50 4.12 -0.61 3.92 0.20 0.99 -1.56 118.68 126.23 3iaf s LEU 96 Ca -0.13 0.54 -0.17 0.00 0.69 0.00 0.00 54.13 55.06 3iaf s LEU 96 Cb -0.15 -2.97 0.13 0.00 -0.43 0.00 0.00 46.19 42.77 3iaf s LEU 96 CO 0.04 -0.57 0.63 -0.36 -0.29 0.00 0.00 176.35 175.80 3iaf s PHE 97 N 2.83 3.23 -0.15 5.38 0.08 0.30 -1.31 117.98 128.33 3iaf s PHE 97 Ca 0.29 -1.27 -0.29 0.00 0.12 0.00 0.00 56.93 55.78 3iaf s PHE 97 Cb -0.14 -3.90 -0.01 0.00 -0.57 0.00 0.00 43.02 38.40 3iaf s PHE 97 CO 0.13 -1.13 0.98 -0.51 -0.10 0.00 0.00 175.22 174.58 3iaf s LEU 98 N 1.83 4.20 0.00 -0.37 1.43 -0.23 -1.55 118.68 123.99 3iaf s LEU 98 Ca 0.09 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 3iaf s LEU 98 Cb -0.24 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 3iaf s LEU 98 CO 0.02 -0.49 -0.10 0.28 0.23 0.00 0.00 176.35 176.29 3iaf s THR 99 N 2.32 0.75 0.77 5.49 -1.32 -0.51 -1.08 115.64 122.05 3iaf s THR 99 Ca 0.45 -0.50 -0.12 0.00 -1.21 0.00 0.00 61.69 60.32 3iaf s THR 99 Cb -0.17 -0.64 0.05 0.00 -1.51 0.00 0.00 72.50 70.23 3iaf s THR 99 CO 0.14 0.14 1.12 -0.83 -2.21 0.00 0.00 174.62 172.98 3iaf s GLY 100 N -0.40 1.61 0.29 6.08 0.00 -0.28 -0.14 107.32 114.48 3iaf s GLY 100 Ca 0.02 -0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.19 3iaf s GLY 100 CO -0.00 0.03 0.61 -1.35 0.00 0.00 0.00 173.10 172.39 3iaf s SER 101 N -4.28 -0.01 0.56 1.64 1.04 -1.21 -3.46 113.70 107.98 3iaf s SER 101 Ca 0.60 -0.93 -0.20 0.00 0.48 0.00 0.00 55.95 55.90 3iaf s SER 101 Cb -0.12 0.69 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 3iaf s SER 101 CO 0.52 -1.33 1.05 0.61 0.98 0.00 0.00 173.24 175.06 3iaf n GLY 102 N -0.46 -0.10 3.76 7.32 0.00 -1.26 -1.98 105.19 112.48 3iaf n GLY 102 Ca -0.03 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3iaf n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf s ALA 103 N -1.43 2.93 0.09 4.61 0.00 -1.26 -4.15 121.76 122.55 3iaf s ALA 103 Ca 0.72 1.20 -0.19 0.00 0.00 0.00 0.00 51.96 53.70 3iaf s ALA 103 Cb -0.44 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.10 3iaf s ALA 103 CO 0.49 -1.08 1.57 -0.07 0.00 0.00 0.00 175.76 176.68 3iaf h LEU 104 N 1.81 0.41-10.05 0.00 3.38 -1.92 -3.24 115.31 105.69 3iaf h LEU 104 Ca -0.50 -0.25 -0.55 0.00 0.09 0.00 0.00 57.88 56.67 3iaf h LEU 104 Cb 1.28 -0.11 0.13 0.00 0.09 0.00 0.00 40.66 42.05 3iaf h LEU 104 CO 0.59 0.55 0.59 0.00 0.09 0.00 0.00 178.44 180.26 3iaf s ARG 105 N -5.21 3.12 -1.55 1.13 1.70 -1.26 -1.83 118.95 115.06 3iaf s ARG 105 Ca -0.14 2.19 -0.14 0.00 -0.47 0.00 0.00 55.73 57.17 3iaf s ARG 105 Cb 0.08 -2.22 0.11 0.00 -0.57 0.00 0.00 34.95 32.34 3iaf s ARG 105 CO 0.74 -1.19 0.83 -0.40 -1.08 0.00 0.00 175.30 174.20 3iaf n ASP 106 N -1.09 -4.25 -4.77 -2.89 5.68 -1.26 -4.99 116.55 102.98 3iaf n ASP 106 Ca 0.11 -0.77 -0.39 0.00 -0.50 0.00 0.00 54.79 53.24 3iaf n ASP 106 Cb 0.45 -3.43 -0.02 0.00 -1.14 0.00 0.00 41.12 36.99 3iaf n ASP 106 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3iaf s ASP 107 N -3.17 6.56 -1.26 -1.12 2.15 -0.76 -3.97 116.67 115.11 3iaf s ASP 107 Ca 0.64 2.42 -0.05 0.00 0.43 0.00 0.00 52.55 55.98 3iaf s ASP 107 Cb -0.33 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.67 3iaf s ASP 107 CO 0.79 -0.65 1.08 1.21 -0.17 0.00 0.00 175.17 177.43 3iaf n GLU 108 N 0.22 -7.26 -0.23 4.34 4.07 -1.26 -4.92 120.64 115.61 3iaf n GLU 108 Ca 0.03 0.82 0.09 0.00 -0.06 0.00 0.00 57.16 58.04 3iaf n GLU 108 Cb 0.45 -5.79 0.16 0.00 -0.06 0.00 0.00 31.44 26.20 3iaf n GLU 108 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3iaf n THR 109 N -4.59 1.94 -3.94 6.31 -2.24 -1.25 -5.01 114.28 105.50 3iaf n THR 109 Ca -0.11 -2.50 -0.37 0.00 -2.27 0.00 0.00 64.05 58.80 3iaf n THR 109 Cb 0.60 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3iaf n THR 109 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iaf n ASN 110 N -1.33 -3.59 -4.69 3.42 3.02 -1.26 -4.95 115.26 105.88 3iaf n ASN 110 Ca 0.17 -1.16 -0.24 0.00 -0.03 0.00 0.00 54.58 53.32 3iaf n ASN 110 Cb 0.66 -2.48 -0.07 0.00 -0.61 0.00 0.00 39.78 37.27 3iaf n ASN 110 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3iaf s THR 111 N -3.64 2.76 -0.33 3.41 -1.32 -1.26 -5.05 115.64 110.20 3iaf s THR 111 Ca 0.38 -1.81 -0.40 0.00 -1.21 0.00 0.00 61.69 58.65 3iaf s THR 111 Cb -0.17 -2.91 -0.15 0.00 -1.51 0.00 0.00 72.50 67.76 3iaf s THR 111 CO 0.92 -0.16 1.88 -0.11 -2.21 0.00 0.00 174.62 174.95 3iaf n LEU 112 N -1.08 2.13 0.00 9.08 7.94 -1.26 -2.50 117.00 131.31 3iaf n LEU 112 Ca -0.03 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 3iaf n LEU 112 Cb 0.62 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 43.44 3iaf n LEU 112 CO 0.43 -0.54 0.00 0.00 -1.11 0.00 0.00 177.39 176.17 3iaf n GLN 113 N 6.20 0.00 -1.42 1.96 6.02 -1.26 -4.85 117.38 124.03 3iaf n GLN 113 Ca 0.33 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 57.09 3iaf n GLN 113 Cb 0.13 -2.93 0.17 0.00 1.02 0.00 0.00 30.24 28.62 3iaf n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iaf n ALA 114 N 0.59 -1.37 0.00 -1.58 0.00 -1.04 -2.89 120.51 114.22 3iaf n ALA 114 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.09 3iaf n ALA 114 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3iaf n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 115 N -1.99 3.18 3.58 0.00 0.00 -1.26 -4.79 105.19 103.90 3iaf n GLY 115 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3iaf n GLY 115 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iaf s ILE 116 N -2.82 4.22 -0.99 -0.61 -4.36 -1.26 -5.04 121.20 110.34 3iaf s ILE 116 Ca 0.00 -0.25 -0.23 0.00 -0.26 0.00 0.00 60.65 59.91 3iaf s ILE 116 Cb 0.00 -2.84 0.00 0.00 1.25 0.00 0.00 42.46 40.87 3iaf s ILE 116 CO 0.00 0.51 1.70 -0.62 0.24 0.00 0.00 174.94 176.77 3iaf s ASP 117 N 0.06 5.88 0.34 4.36 -1.08 -1.26 -4.78 116.67 120.18 3iaf s ASP 117 Ca 0.02 -1.18 0.15 0.00 -0.52 0.00 0.00 52.55 51.02 3iaf s ASP 117 Cb -0.13 -2.57 0.61 0.00 -1.46 0.00 0.00 42.92 39.37 3iaf s ASP 117 CO 0.02 -2.08 1.72 1.56 0.52 0.00 0.00 175.17 176.91 3iaf h GLN 118 N 10.31 0.00 -0.16 4.34 4.20 -1.98 -1.56 115.11 130.27 3iaf h GLN 118 Ca 0.17 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 3iaf h GLN 118 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3iaf h GLN 118 CO 1.33 0.45 -0.38 0.28 -0.67 0.00 0.00 178.83 179.84 3iaf h VAL 119 N 0.00 1.35 -0.91 -0.54 2.07 -1.94 -1.02 116.25 115.25 3iaf h VAL 119 Ca -0.00 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 3iaf h VAL 119 Cb 0.90 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 3iaf h VAL 119 CO 0.06 0.50 0.52 0.00 0.02 0.00 0.00 177.57 178.67 3iaf h ALA 120 N 0.55 1.19 -0.54 1.67 0.00 -1.90 -0.44 119.26 119.78 3iaf h ALA 120 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3iaf h ALA 120 Cb 0.99 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3iaf h ALA 120 CO 0.08 0.66 -0.12 0.52 0.00 0.00 0.00 179.25 180.40 3iaf h MET 121 N 1.27 1.04 0.00 0.00 2.07 -1.20 -3.09 114.93 115.02 3iaf h MET 121 Ca 0.32 -0.39 -0.02 0.00 -2.07 0.00 0.00 59.70 57.54 3iaf h MET 121 Cb -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 29.66 3iaf h MET 121 CO -0.06 1.08 -0.09 0.00 1.07 0.00 0.00 176.91 178.91 3iaf h ALA 122 N 0.92 0.94 -0.61 6.32 0.00 -0.97 -3.38 119.26 122.48 3iaf h ALA 122 Ca 0.14 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3iaf h ALA 122 Cb 0.69 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 3iaf h ALA 122 CO 0.05 0.12 -0.14 0.00 0.00 0.00 0.00 179.25 179.27 3iaf h ALA 123 N 1.91 0.42 0.00 0.00 0.00 -0.99 -1.42 119.26 119.17 3iaf h ALA 123 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iaf h ALA 123 Cb 1.03 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3iaf h ALA 123 CO 0.01 -0.43 0.00 -2.30 0.00 0.00 0.00 179.25 176.54 3iaf n PRO 124 N -5.41 0.28 -1.49 0.00 -0.02 -1.26 -3.57 135.00 123.53 3iaf n PRO 124 Ca 0.07 0.11 0.03 0.00 -2.02 0.00 0.00 63.50 61.69 3iaf n PRO 124 Cb 0.32 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.36 3iaf n PRO 124 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3iaf n ILE 125 N -1.27 0.58 -3.97 4.25 -5.35 -0.56 -5.07 119.36 107.98 3iaf n ILE 125 Ca 0.09 -1.67 -0.08 0.00 -0.27 0.00 0.00 62.75 60.81 3iaf n ILE 125 Cb 0.14 0.76 -0.09 0.00 -1.74 0.00 0.00 39.64 38.71 3iaf n ILE 125 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3iaf s THR 126 N -1.07 0.16 0.28 7.28 -4.23 -1.08 -4.53 115.64 112.44 3iaf s THR 126 Ca 0.34 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 3iaf s THR 126 Cb 0.38 -1.15 0.05 0.00 1.34 0.00 0.00 72.50 73.12 3iaf s THR 126 CO -0.13 -0.74 1.70 0.11 -0.54 0.00 0.00 174.62 175.02 3iaf h LYS 127 N 3.38 0.44 -2.25 3.99 1.57 -1.40 -3.45 116.57 118.86 3iaf h LYS 127 Ca -0.33 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 3iaf h LYS 127 Cb 1.17 -0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.24 3iaf h LYS 127 CO 0.56 0.70 -0.07 -0.46 -0.57 0.00 0.00 179.45 179.62 3iaf s TRP 128 N -4.39 -0.83 -0.07 -1.35 -0.00 -1.26 -5.08 118.94 105.98 3iaf s TRP 128 Ca -0.06 1.77 -0.01 0.00 -0.00 0.00 0.00 56.10 57.79 3iaf s TRP 128 Cb 0.13 0.42 0.03 0.00 -0.00 0.00 0.00 33.47 34.05 3iaf s TRP 128 CO 0.79 -0.42 -0.01 0.00 -0.00 0.00 0.00 176.95 177.31 3iaf s ALA 129 N 1.17 0.71 -0.03 5.86 0.00 -1.26 -0.82 121.76 127.38 3iaf s ALA 129 Ca -0.07 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.58 3iaf s ALA 129 Cb -0.06 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.42 3iaf s ALA 129 CO -0.12 -0.37 0.42 -1.58 0.00 0.00 0.00 175.76 174.12 3iaf s HIS 130 N 1.75 -0.33 -0.16 0.00 5.04 -0.44 -4.95 115.29 116.21 3iaf s HIS 130 Ca 0.02 0.55 -0.03 0.00 -1.54 0.00 0.00 55.06 54.06 3iaf s HIS 130 Cb -0.13 0.19 -0.02 0.00 0.04 0.00 0.00 32.58 32.66 3iaf s HIS 130 CO -0.04 -0.45 -0.06 0.50 -2.34 0.00 0.00 174.74 172.35 3iaf s ARG 131 N -1.22 3.54 0.03 2.88 3.52 -1.26 -1.00 118.95 125.45 3iaf s ARG 131 Ca -0.12 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 3iaf s ARG 131 Cb -0.04 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 3iaf s ARG 131 CO 0.06 0.17 1.12 0.08 -0.81 0.00 0.00 175.30 175.91 3iaf s VAL 132 N 0.52 4.35 -0.66 7.11 1.01 -0.48 -4.94 120.40 127.31 3iaf s VAL 132 Ca -0.05 1.69 0.14 0.00 0.00 0.00 0.00 61.98 63.76 3iaf s VAL 132 Cb -0.15 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 3iaf s VAL 132 CO 0.03 0.12 0.59 0.23 0.00 0.00 0.00 175.10 176.07 3iaf n MET 133 N 4.01 2.40 -3.74 2.72 0.00 -1.26 -4.57 117.12 116.68 3iaf n MET 133 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 57.70 57.64 3iaf n MET 133 Cb 0.48 -1.16 -0.10 0.00 0.00 0.00 0.00 33.22 32.45 3iaf n MET 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3iaf s ALA 134 N -2.30 -0.94 0.28 3.04 0.00 -1.26 -5.06 121.76 115.52 3iaf s ALA 134 Ca 0.05 0.92 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 3iaf s ALA 134 Cb 0.11 -0.45 0.41 0.00 0.00 0.00 0.00 23.12 23.18 3iaf s ALA 134 CO 0.57 -0.21 1.87 1.15 0.00 0.00 0.00 175.76 179.14 3iaf h THR 135 N 4.33 1.22 0.00 0.00 2.02 -1.93 -2.16 112.91 116.39 3iaf h THR 135 Ca -0.27 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 3iaf h THR 135 Cb 1.18 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3iaf h THR 135 CO 0.30 0.27 -0.02 1.05 0.37 0.00 0.00 175.52 177.49 3iaf h GLU 136 N 0.91 0.00 0.00 6.66 9.09 -1.97 -2.50 114.58 126.77 3iaf h GLU 136 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 3iaf h GLU 136 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 3iaf h GLU 136 CO -0.02 0.02 0.00 0.72 0.05 0.00 0.00 179.01 179.78 3iaf n HIS 137 N -3.12 0.30 0.30 2.06 8.25 -0.81 -4.39 115.22 117.80 3iaf n HIS 137 Ca 0.00 0.11 -0.17 0.00 -0.26 0.00 0.00 57.72 57.40 3iaf n HIS 137 Cb 0.28 -0.67 -0.09 0.00 1.12 0.00 0.00 29.99 30.63 3iaf n HIS 137 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3iaf h ILE 138 N 0.00 0.00 -0.75 1.59 2.04 -1.54 -1.18 117.51 117.67 3iaf h ILE 138 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 3iaf h ILE 138 Cb 0.39 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.39 3iaf h ILE 138 CO 0.00 0.00 0.36 -0.65 0.00 0.00 0.00 178.15 177.86 3iaf h PRO 139 N -0.96 0.57 -0.48 2.37 0.11 -1.83 0.13 132.00 131.90 3iaf h PRO 139 Ca -0.07 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.90 3iaf h PRO 139 Cb 0.82 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3iaf h PRO 139 CO -0.02 0.38 -0.14 0.07 -0.21 0.00 0.00 178.00 178.08 3iaf h ARG 140 N 0.59 0.95 -0.10 1.05 0.11 -1.81 -1.87 114.38 113.30 3iaf h ARG 140 Ca 0.38 -0.37 -0.18 0.00 0.10 0.00 0.00 59.98 59.91 3iaf h ARG 140 Cb 0.45 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 3iaf h ARG 140 CO -0.30 1.04 -0.70 -0.07 0.10 0.00 0.00 179.97 180.03 3iaf h LEU 141 N 0.80 0.53 -0.17 0.08 4.07 -0.79 0.14 115.31 119.96 3iaf h LEU 141 Ca 0.12 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 3iaf h LEU 141 Cb 0.70 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 3iaf h LEU 141 CO 0.05 1.07 0.06 0.58 -1.08 0.00 0.00 178.44 179.13 3iaf h VAL 142 N 0.31 1.16 -0.79 1.22 2.07 -0.74 0.25 116.25 119.73 3iaf h VAL 142 Ca -0.03 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3iaf h VAL 142 Cb 1.27 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3iaf h VAL 142 CO 0.12 0.15 0.34 -0.03 0.02 0.00 0.00 177.57 178.18 3iaf h MET 143 N 0.11 1.16 0.22 1.57 -1.53 -1.27 -1.06 114.93 114.14 3iaf h MET 143 Ca 0.06 -0.19 -0.01 0.00 -3.44 0.00 0.00 59.70 56.11 3iaf h MET 143 Cb 0.18 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 3iaf h MET 143 CO -0.00 0.92 -0.11 0.37 0.14 0.00 0.00 176.91 178.23 3iaf h GLN 144 N 1.14 -0.29 -0.90 0.39 4.15 -0.55 -2.36 115.11 116.69 3iaf h GLN 144 Ca 0.27 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.84 3iaf h GLN 144 Cb 0.17 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 27.84 3iaf h GLN 144 CO -0.03 -0.19 0.52 0.00 -1.93 0.00 0.00 178.83 177.20 3iaf h ALA 145 N 0.48 1.36 -0.44 3.38 0.00 -0.63 -1.95 119.26 121.45 3iaf h ALA 145 Ca -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3iaf h ALA 145 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3iaf h ALA 145 CO 0.05 0.05 0.07 0.82 0.00 0.00 0.00 179.25 180.24 3iaf h ILE 146 N 0.78 1.25 -0.69 0.00 2.04 -1.10 -2.54 117.51 117.25 3iaf h ILE 146 Ca 0.47 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3iaf h ILE 146 Cb 0.56 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3iaf h ILE 146 CO -0.31 0.31 0.45 0.03 0.00 0.00 0.00 178.15 178.64 3iaf h ARG 147 N 0.59 0.91 -0.43 2.37 3.08 -0.97 -2.30 114.38 117.62 3iaf h ARG 147 Ca 0.13 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.18 3iaf h ARG 147 Cb 0.39 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 3iaf h ARG 147 CO 0.01 0.61 0.15 0.00 -1.07 0.00 0.00 179.97 179.67 3iaf h ALA 148 N 1.25 0.51 -0.26 0.04 0.00 -1.19 -2.69 119.26 116.91 3iaf h ALA 148 Ca 0.25 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3iaf h ALA 148 Cb -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iaf h ALA 148 CO -0.05 -0.24 -0.35 0.00 0.00 0.00 0.00 179.25 178.60 3iaf h ALA 149 N 1.28 0.90 0.00 0.00 0.00 -1.13 -3.27 119.26 117.04 3iaf h ALA 149 Ca 0.20 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3iaf h ALA 149 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iaf h ALA 149 CO -0.21 0.63 -0.90 -0.07 0.00 0.00 0.00 179.25 178.70 3iaf h LEU 150 N 0.49 0.00 -9.95 0.00 3.38 -1.29 -2.90 115.31 105.04 3iaf h LEU 150 Ca 0.05 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.56 3iaf h LEU 150 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3iaf h LEU 150 CO 0.07 0.71 0.33 -0.94 0.09 0.00 0.00 178.44 178.70 3iaf s SER 151 N -6.40 7.18 0.28 -0.43 1.04 -1.03 -4.73 113.70 109.62 3iaf s SER 151 Ca 0.01 1.75 -0.30 0.00 0.48 0.00 0.00 55.95 57.90 3iaf s SER 151 Cb 0.09 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.55 3iaf s SER 151 CO 0.79 -0.17 1.48 0.00 0.98 0.00 0.00 173.24 176.32 3iaf s ALA 152 N -1.81 3.65 0.20 5.32 0.00 -1.26 -3.04 121.76 124.82 3iaf s ALA 152 Ca 0.54 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.63 3iaf s ALA 152 Cb -0.15 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 3iaf s ALA 152 CO 0.20 -0.84 1.03 -1.25 0.00 0.00 0.00 175.76 174.90 3iaf s PRO 153 N -0.70 4.69 0.75 0.00 0.04 -1.26 -4.94 135.00 133.57 3iaf s PRO 153 Ca 0.59 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 63.11 3iaf s PRO 153 Cb -0.44 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 30.87 3iaf s PRO 153 CO 0.47 0.24 1.24 1.03 0.04 0.00 0.00 177.00 180.02 3iaf s ARG 154 N -0.73 1.98 -0.07 4.56 3.00 -1.17 -4.97 118.95 121.56 3iaf s ARG 154 Ca 0.46 1.86 -0.31 0.00 0.00 0.00 0.00 55.73 57.74 3iaf s ARG 154 Cb -0.28 -1.80 0.13 0.00 0.00 0.00 0.00 34.95 32.99 3iaf s ARG 154 CO 0.35 -1.98 1.37 0.20 0.00 0.00 0.00 175.30 175.24 3iaf s GLY 155 N -1.89 -0.39 0.43 -3.53 0.00 -1.09 -3.91 107.32 96.94 3iaf s GLY 155 Ca 0.76 0.65 -0.21 0.00 0.00 0.00 0.00 44.72 45.92 3iaf s GLY 155 CO 0.46 1.99 0.97 2.56 0.00 0.00 0.00 173.10 179.08 3iaf s PRO 156 N -2.11 4.19 -0.02 2.90 0.04 -1.18 -3.48 135.00 135.34 3iaf s PRO 156 Ca 0.20 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.46 3iaf s PRO 156 Cb 0.05 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3iaf s PRO 156 CO -0.05 -0.07 -0.13 0.08 0.04 0.00 0.00 177.00 176.88 3iaf s VAL 157 N -2.09 1.02 -0.34 -0.36 1.01 -0.60 -1.01 120.40 118.03 3iaf s VAL 157 Ca 0.62 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 3iaf s VAL 157 Cb -0.11 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.43 3iaf s VAL 157 CO 0.15 0.29 0.14 -0.22 0.00 0.00 0.00 175.10 175.47 3iaf s LEU 158 N -0.18 4.37 -0.33 3.92 2.96 -0.00 -0.54 118.68 128.88 3iaf s LEU 158 Ca 0.03 -0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 52.83 3iaf s LEU 158 Cb -0.06 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 3iaf s LEU 158 CO -0.00 -0.32 0.21 -0.22 -1.32 0.00 0.00 176.35 174.70 3iaf s LEU 159 N 1.48 4.37 -0.32 -0.68 0.20 -0.60 -1.32 118.68 121.82 3iaf s LEU 159 Ca 0.01 -0.42 -0.15 0.00 0.69 0.00 0.00 54.13 54.25 3iaf s LEU 159 Cb -0.19 -2.10 -0.02 0.00 -0.43 0.00 0.00 46.19 43.45 3iaf s LEU 159 CO 0.04 -0.21 0.37 -0.62 -0.29 0.00 0.00 176.35 175.64 3iaf s ASP 160 N 1.69 6.20 -0.50 3.68 -1.08 -0.17 -1.42 116.67 125.08 3iaf s ASP 160 Ca 0.06 -0.05 -0.02 0.00 -0.52 0.00 0.00 52.55 52.02 3iaf s ASP 160 Cb -0.17 -2.20 0.13 0.00 -1.46 0.00 0.00 42.92 39.22 3iaf s ASP 160 CO 0.09 -0.29 0.30 -0.76 0.52 0.00 0.00 175.17 175.04 3iaf s LEU 161 N 2.05 5.19 0.25 -1.34 1.43 0.80 -1.38 118.68 125.68 3iaf s LEU 161 Ca 0.13 -2.42 -0.30 0.00 -1.03 0.00 0.00 54.13 50.50 3iaf s LEU 161 Cb -0.16 -1.82 -0.14 0.00 0.03 0.00 0.00 46.19 44.09 3iaf s LEU 161 CO 0.11 -0.45 1.24 -2.65 0.23 0.00 0.00 176.35 174.83 3iaf n PRO 162 N 4.05 1.67 -0.24 1.29 -0.02 -1.26 -3.32 135.00 137.17 3iaf n PRO 162 Ca 0.02 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3iaf n PRO 162 Cb 0.39 -2.13 0.18 0.00 -0.02 0.00 0.00 33.50 31.92 3iaf n PRO 162 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3iaf h TRP 163 N 3.26 0.34 -0.27 6.00 7.01 -1.56 0.33 115.95 131.07 3iaf h TRP 163 Ca -0.43 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.63 3iaf h TRP 163 Cb 1.31 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 28.30 3iaf h TRP 163 CO 0.53 -0.04 -0.16 -3.47 -2.79 0.00 0.00 178.44 172.51 3iaf n ASP 164 N -5.11 -0.28 0.11 2.65 4.64 -1.26 -1.32 116.55 115.97 3iaf n ASP 164 Ca 0.14 0.80 0.01 0.00 -1.38 0.00 0.00 54.79 54.36 3iaf n ASP 164 Cb 0.43 -0.22 0.34 0.00 -1.04 0.00 0.00 41.12 40.63 3iaf n ASP 164 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 3iaf h ILE 165 N 0.00 1.21 0.03 5.18 5.03 -0.72 -2.20 117.51 126.05 3iaf h ILE 165 Ca 0.04 -0.97 -0.21 0.00 -0.12 0.00 0.00 64.86 63.59 3iaf h ILE 165 Cb 0.11 1.32 -0.01 0.00 -3.03 0.00 0.00 36.82 35.21 3iaf h ILE 165 CO -0.25 0.30 -0.97 -0.07 -0.68 0.00 0.00 178.15 176.48 3iaf h LEU 166 N 0.23 0.23 0.00 1.44 3.38 -0.93 -3.33 115.31 116.33 3iaf h LEU 166 Ca 0.04 -0.21 -0.23 0.00 0.09 0.00 0.00 57.88 57.57 3iaf h LEU 166 Cb 0.49 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3iaf h LEU 166 CO 0.03 1.07 -1.24 0.24 0.09 0.00 0.00 178.44 178.63 3iaf h MET 167 N 0.07 0.00 -6.07 1.13 2.86 -1.02 -2.21 114.93 109.69 3iaf h MET 167 Ca -0.05 0.00 -0.74 0.00 -2.06 0.00 0.00 59.70 56.84 3iaf h MET 167 Cb 1.65 0.00 0.06 0.00 0.06 0.00 0.00 31.60 33.37 3iaf h MET 167 CO 0.15 0.75 0.06 0.09 1.06 0.00 0.00 176.91 179.01 3iaf n ASN 168 N -3.21 0.21 -4.52 1.22 4.13 -0.84 -4.63 115.26 107.61 3iaf n ASN 168 Ca -0.06 1.15 -0.35 0.00 1.68 0.00 0.00 54.58 57.00 3iaf n ASN 168 Cb 0.96 -0.99 -0.12 0.00 -1.54 0.00 0.00 39.78 38.09 3iaf n ASN 168 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3iaf s GLN 169 N -0.10 3.75 0.19 3.52 -0.21 -1.26 -1.09 119.66 124.47 3iaf s GLN 169 Ca 0.85 -0.45 0.10 0.00 0.02 0.00 0.00 55.36 55.87 3iaf s GLN 169 Cb -1.14 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 29.69 3iaf s GLN 169 CO 0.55 0.11 -0.20 0.96 -2.12 0.00 0.00 175.29 174.59 3iaf s ILE 170 N 0.78 2.04 -0.09 1.08 -5.25 0.36 -4.86 121.20 115.26 3iaf s ILE 170 Ca 0.02 -2.05 -0.29 0.00 -0.99 0.00 0.00 60.65 57.33 3iaf s ILE 170 Cb -0.14 -2.00 -0.05 0.00 2.95 0.00 0.00 42.46 43.22 3iaf s ILE 170 CO 0.02 -0.31 1.69 -0.62 -1.79 0.00 0.00 174.94 173.93 3iaf s ASP 171 N -2.86 6.55 0.39 4.36 3.68 -1.26 -0.41 116.67 127.12 3iaf s ASP 171 Ca 0.20 2.14 0.07 0.00 2.13 0.00 0.00 52.55 57.09 3iaf s ASP 171 Cb -0.06 -2.53 0.78 0.00 -1.45 0.00 0.00 42.92 39.66 3iaf s ASP 171 CO 0.09 -1.04 1.98 1.05 0.13 0.00 0.00 175.17 177.38 3iaf h GLU 172 N 10.05 0.46 0.00 4.34 4.11 -0.04 -1.68 114.58 131.82 3iaf h GLU 172 Ca -0.39 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3iaf h GLU 172 Cb 1.18 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3iaf h GLU 172 CO 0.96 0.41 0.00 -0.25 0.07 0.00 0.00 179.01 180.20 3iaf n ASP 173 N -4.38 0.00 0.01 3.06 10.43 -1.26 -3.61 116.55 120.80 3iaf n ASP 173 Ca 0.02 0.49 -0.21 0.00 2.57 0.00 0.00 54.79 57.66 3iaf n ASP 173 Cb 0.16 -0.50 -0.14 0.00 1.84 0.00 0.00 41.12 42.48 3iaf n ASP 173 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3iaf h SER 174 N 0.00 0.42 -3.08 -2.24 4.64 -1.68 -3.47 113.55 108.14 3iaf h SER 174 Ca 0.00 -0.90 -0.62 0.00 -0.47 0.00 0.00 61.79 59.80 3iaf h SER 174 Cb 0.28 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 62.13 3iaf h SER 174 CO 0.00 1.80 -0.50 0.54 -0.87 0.00 0.00 176.83 177.81 3iaf s VAL 175 N -2.56 5.37 -0.18 0.95 0.11 -1.24 -5.08 120.40 117.78 3iaf s VAL 175 Ca -0.21 0.17 -0.20 0.00 -2.93 0.00 0.00 61.98 58.81 3iaf s VAL 175 Cb 0.07 -3.41 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 3iaf s VAL 175 CO 0.78 0.50 0.59 -0.51 -3.33 0.00 0.00 175.10 173.13 3iaf s ILE 176 N -0.09 5.06 -0.50 7.04 1.10 -1.26 -4.99 121.20 127.57 3iaf s ILE 176 Ca 0.10 1.12 -0.22 0.00 -0.51 0.00 0.00 60.65 61.14 3iaf s ILE 176 Cb -0.11 -3.91 0.04 0.00 0.15 0.00 0.00 42.46 38.62 3iaf s ILE 176 CO 0.00 0.17 0.78 -0.63 -2.11 0.00 0.00 174.94 173.15 3iaf s ILE 177 N 1.58 4.63 0.69 2.00 1.01 -1.26 -4.69 121.20 125.17 3iaf s ILE 177 Ca 0.28 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.92 3iaf s ILE 177 Cb -0.16 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 37.94 3iaf s ILE 177 CO 0.11 -0.87 1.06 -2.84 0.00 0.00 0.00 174.94 172.41 3iaf s PRO 178 N 3.30 2.96 0.67 2.79 0.02 -1.26 -5.06 135.00 138.42 3iaf s PRO 178 Ca 0.25 0.77 -0.11 0.00 0.02 0.00 0.00 61.00 61.93 3iaf s PRO 178 Cb -0.14 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 3iaf s PRO 178 CO 0.18 -1.03 1.06 -0.51 -0.33 0.00 0.00 177.00 176.37 3iaf s ASP 179 N -4.01 5.74 -0.84 2.53 1.11 -1.26 -4.89 116.67 115.04 3iaf s ASP 179 Ca 0.58 1.22 -0.24 0.00 0.18 0.00 0.00 52.55 54.28 3iaf s ASP 179 Cb -0.13 -2.12 0.05 0.00 1.07 0.00 0.00 42.92 41.80 3iaf s ASP 179 CO 0.54 -1.16 1.27 -0.22 1.18 0.00 0.00 175.17 176.79 3iaf s LEU 180 N -5.28 3.67 -0.62 1.23 2.96 -1.26 -4.95 118.68 114.43 3iaf s LEU 180 Ca 0.57 -1.05 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 3iaf s LEU 180 Cb -0.11 -2.52 0.16 0.00 0.50 0.00 0.00 46.19 44.22 3iaf s LEU 180 CO 0.52 -1.58 0.52 -0.69 -1.32 0.00 0.00 176.35 173.80 3iaf s VAL 181 N 4.89 4.76 -0.22 1.68 1.01 -1.26 -4.99 120.40 126.27 3iaf s VAL 181 Ca 0.36 -2.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.08 3iaf s VAL 181 Cb -0.06 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.35 3iaf s VAL 181 CO 0.03 -0.89 0.53 -0.22 0.00 0.00 0.00 175.10 174.55 3iaf s LEU 182 N 0.80 -0.47 0.11 3.92 2.96 -1.26 -5.14 118.68 119.59 3iaf s LEU 182 Ca 0.11 1.16 -0.31 0.00 -0.22 0.00 0.00 54.13 54.87 3iaf s LEU 182 Cb -0.21 1.78 -0.09 0.00 0.50 0.00 0.00 46.19 48.18 3iaf s LEU 182 CO -0.03 -0.21 1.54 -0.55 -1.32 0.00 0.00 176.35 175.78 3iaf s SER 183 N 1.57 6.67 0.36 3.68 0.15 -1.26 -4.91 113.70 119.95 3iaf s SER 183 Ca -0.09 2.46 0.10 0.00 0.70 0.00 0.00 55.95 59.11 3iaf s SER 183 Cb -0.07 -2.58 0.68 0.00 -1.71 0.00 0.00 66.02 62.34 3iaf s SER 183 CO -0.16 -0.80 1.83 0.00 1.20 0.00 0.00 173.24 175.32 3iaf h ALA 184 N 7.41 1.37 -2.66 5.45 0.00 -2.00 -3.42 119.26 125.40 3iaf h ALA 184 Ca -0.42 -0.30 -0.51 0.00 0.00 0.00 0.00 54.91 53.68 3iaf h ALA 184 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3iaf h ALA 184 CO 0.91 0.44 0.31 -1.01 0.00 0.00 0.00 179.25 179.90 3iaf s HIS 185 N -4.42 3.88 0.76 0.00 3.76 -1.26 -5.03 115.29 112.97 3iaf s HIS 185 Ca -0.04 1.78 -0.06 0.00 -0.15 0.00 0.00 55.06 56.59 3iaf s HIS 185 Cb 0.15 -2.96 0.11 0.00 1.11 0.00 0.00 32.58 30.98 3iaf s HIS 185 CO 0.74 0.35 1.06 0.20 -0.85 0.00 0.00 174.74 176.24 3iaf s GLY 186 N -0.58 1.74 0.21 -2.22 0.00 -1.26 -5.00 107.32 100.21 3iaf s GLY 186 Ca 0.42 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.56 3iaf s GLY 186 CO 0.29 -0.75 1.12 0.00 0.00 0.00 0.00 173.10 173.77 3iaf s ALA 187 N -3.32 3.40 0.37 3.20 0.00 -1.26 -4.47 121.76 119.68 3iaf s ALA 187 Ca 0.65 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3iaf s ALA 187 Cb -0.07 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3iaf s ALA 187 CO 0.46 -0.23 0.58 1.03 0.00 0.00 0.00 175.76 177.60 3iaf s ARG 188 N -0.64 3.39 0.64 0.00 0.52 -1.26 -1.54 118.95 120.06 3iaf s ARG 188 Ca 0.49 -0.36 -0.15 0.00 -0.52 0.00 0.00 55.73 55.18 3iaf s ARG 188 Cb -0.31 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 3iaf s ARG 188 CO 0.37 0.05 1.09 -2.14 0.02 0.00 0.00 175.30 174.69 3iaf s PRO 189 N -4.38 2.97 0.26 3.54 0.02 -1.26 -4.89 135.00 131.26 3iaf s PRO 189 Ca 0.42 1.33 -0.31 0.00 0.02 0.00 0.00 61.00 62.46 3iaf s PRO 189 Cb -0.10 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 32.32 3iaf s PRO 189 CO 0.37 -1.11 1.58 -3.47 -0.33 0.00 0.00 177.00 174.04 3iaf n ASP 190 N -2.30 3.62 0.17 2.53 -0.08 -1.26 -4.80 116.55 114.42 3iaf n ASP 190 Ca 0.10 1.13 0.18 0.00 -1.51 0.00 0.00 54.79 54.69 3iaf n ASP 190 Cb 0.52 -1.55 0.71 0.00 2.34 0.00 0.00 41.12 43.15 3iaf n ASP 190 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3iaf h PRO 191 N 5.06 0.00 -0.19 -0.67 0.13 -1.98 -0.33 132.00 134.02 3iaf h PRO 191 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 3iaf h PRO 191 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3iaf h PRO 191 CO 0.82 0.00 -0.25 0.00 -0.23 0.00 0.00 178.00 178.34 3iaf h ALA 192 N 1.30 0.29 0.00 -0.56 0.00 -1.98 0.18 119.26 118.49 3iaf h ALA 192 Ca 0.14 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3iaf h ALA 192 Cb 1.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3iaf h ALA 192 CO -0.00 0.27 -0.67 -0.44 0.00 0.00 0.00 179.25 178.40 3iaf h ASP 193 N 0.17 0.00 -0.32 0.00 5.19 -1.48 -0.97 116.42 119.02 3iaf h ASP 193 Ca 0.02 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.28 3iaf h ASP 193 Cb 0.82 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 3iaf h ASP 193 CO 0.06 0.67 -0.41 0.25 -3.12 0.00 0.00 179.24 176.69 3iaf h LEU 194 N 0.00 0.92 -0.94 1.55 5.85 -1.25 0.17 115.31 121.60 3iaf h LEU 194 Ca -0.01 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 3iaf h LEU 194 Cb 1.24 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3iaf h LEU 194 CO 0.09 1.23 0.06 0.44 -0.34 0.00 0.00 178.44 179.91 3iaf h ASP 195 N 0.63 0.78 0.12 1.25 5.19 -0.87 -1.79 116.42 121.74 3iaf h ASP 195 Ca 0.04 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.27 3iaf h ASP 195 Cb 1.00 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.31 3iaf h ASP 195 CO 0.10 0.82 -0.06 -0.61 -3.12 0.00 0.00 179.24 176.37 3iaf h GLN 196 N 0.78 -0.15 -0.78 3.56 4.15 -1.00 -1.61 115.11 120.06 3iaf h GLN 196 Ca 0.16 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.62 3iaf h GLN 196 Cb 0.39 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 3iaf h GLN 196 CO 0.01 0.24 0.50 0.00 -1.93 0.00 0.00 178.83 177.65 3iaf h ALA 197 N 0.23 1.03 -0.73 3.38 0.00 -0.68 0.17 119.26 122.65 3iaf h ALA 197 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3iaf h ALA 197 Cb 0.46 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3iaf h ALA 197 CO 0.03 0.30 0.21 -0.07 0.00 0.00 0.00 179.25 179.72 3iaf h LEU 198 N 0.96 1.08 -0.32 0.00 3.38 -1.37 -1.52 115.31 117.51 3iaf h LEU 198 Ca 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3iaf h LEU 198 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3iaf h LEU 198 CO -0.12 1.01 0.05 0.00 0.09 0.00 0.00 178.44 179.47 3iaf h ALA 199 N 1.13 0.43 -0.25 1.53 0.00 -0.63 -2.13 119.26 119.33 3iaf h ALA 199 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3iaf h ALA 199 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3iaf h ALA 199 CO -0.00 0.13 -0.05 1.25 0.00 0.00 0.00 179.25 180.58 3iaf h LEU 200 N 0.36 0.36 0.00 0.00 6.46 -0.43 -2.43 115.31 119.62 3iaf h LEU 200 Ca 0.10 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3iaf h LEU 200 Cb 0.35 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 3iaf h LEU 200 CO 0.01 0.45 -0.58 0.17 -0.62 0.00 0.00 178.44 177.87 3iaf h LEU 201 N 0.37 0.00 0.21 2.25 -0.00 -1.25 -3.36 115.31 113.52 3iaf h LEU 201 Ca 0.08 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 3iaf h LEU 201 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 3iaf h LEU 201 CO 0.01 0.01 -0.10 -0.09 -0.00 0.00 0.00 178.44 178.27 3iaf h ARG 202 N 0.00 -0.27 -5.21 0.17 2.43 -0.90 -3.33 114.38 107.27 3iaf h ARG 202 Ca 0.00 0.02 -0.71 0.00 -0.81 0.00 0.00 59.98 58.48 3iaf h ARG 202 Cb 0.96 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.45 3iaf h ARG 202 CO 0.00 0.11 1.94 0.36 -1.51 0.00 0.00 179.97 180.87 3iaf n LYS 203 N -5.01 3.26 -3.68 0.20 2.85 -1.07 -4.86 118.16 109.86 3iaf n LYS 203 Ca -0.09 -3.46 -0.09 0.00 -1.05 0.00 0.00 58.31 53.62 3iaf n LYS 203 Cb 0.26 -3.29 -0.09 0.00 -0.65 0.00 0.00 35.03 31.26 3iaf n LYS 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3iaf s ALA 204 N 2.97 -1.33 0.01 0.58 0.00 -1.25 -4.90 121.76 117.84 3iaf s ALA 204 Ca 0.49 1.83 -0.19 0.00 0.00 0.00 0.00 51.96 54.08 3iaf s ALA 204 Cb 0.02 -1.11 -0.22 0.00 0.00 0.00 0.00 23.12 21.81 3iaf s ALA 204 CO 0.04 -0.33 1.13 0.93 0.00 0.00 0.00 175.76 177.53 3iaf h GLU 205 N 7.13 0.44 -2.28 0.00 5.08 -1.92 -3.41 114.58 119.63 3iaf h GLU 205 Ca -0.34 -0.45 -0.58 0.00 -1.00 0.00 0.00 59.36 56.99 3iaf h GLU 205 Cb 1.19 0.12 -0.39 0.00 0.50 0.00 0.00 28.75 30.17 3iaf h GLU 205 CO 0.24 1.10 -0.96 0.54 -1.00 0.00 0.00 179.01 178.94 3iaf n ARG 206 N -4.21 0.76 -3.35 2.33 1.74 -1.26 -4.95 116.66 107.72 3iaf n ARG 206 Ca -0.10 -3.46 -0.35 0.00 -0.77 0.00 0.00 57.85 53.17 3iaf n ARG 206 Cb 0.67 -1.61 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 3iaf n ARG 206 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iaf s PRO 207 N -0.81 4.00 0.00 5.56 0.04 -1.26 -0.25 135.00 142.29 3iaf s PRO 207 Ca 0.34 0.51 0.01 0.00 0.04 0.00 0.00 61.00 61.90 3iaf s PRO 207 Cb 0.09 -2.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.68 3iaf s PRO 207 CO -0.14 0.49 -0.03 0.14 0.04 0.00 0.00 177.00 177.49 3iaf s VAL 208 N -1.44 0.23 -0.15 -0.36 -7.23 -0.64 -4.12 120.40 106.68 3iaf s VAL 208 Ca 0.37 -0.22 -0.08 0.00 -1.81 0.00 0.00 61.98 60.24 3iaf s VAL 208 Cb -0.15 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 3iaf s VAL 208 CO 0.19 -0.00 0.14 -0.63 -0.31 0.00 0.00 175.10 174.49 3iaf s ILE 209 N -0.23 5.47 -0.22 -0.62 1.01 0.23 -0.77 121.20 126.06 3iaf s ILE 209 Ca -0.01 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.86 3iaf s ILE 209 Cb -0.02 -3.43 0.05 0.00 0.01 0.00 0.00 42.46 39.07 3iaf s ILE 209 CO -0.00 0.55 -0.08 -0.69 0.00 0.00 0.00 174.94 174.71 3iaf s VAL 210 N -0.48 1.68 0.14 2.92 1.01 -0.66 0.11 120.40 125.12 3iaf s VAL 210 Ca 0.12 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 3iaf s VAL 210 Cb -0.12 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.36 3iaf s VAL 210 CO 0.02 0.03 0.52 -0.76 0.00 0.00 0.00 175.10 174.90 3iaf s LEU 211 N 1.35 4.34 0.00 3.92 1.43 0.17 -1.19 118.68 128.69 3iaf s LEU 211 Ca -0.04 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 3iaf s LEU 211 Cb -0.18 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.82 3iaf s LEU 211 CO -0.07 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.23 3iaf n GLY 212 N 0.80 4.53 0.30 -3.19 0.00 -0.83 -2.39 105.19 104.41 3iaf n GLY 212 Ca -0.06 -2.15 -0.05 0.00 0.00 0.00 0.00 46.02 43.77 3iaf n GLY 212 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iaf h SER 213 N 0.00 0.89 0.08 1.61 4.64 -1.87 -2.66 113.55 116.24 3iaf h SER 213 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3iaf h SER 213 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3iaf h SER 213 CO 0.00 0.66 0.00 -0.33 -0.87 0.00 0.00 176.83 176.29 3iaf h GLU 214 N 1.03 0.00 -0.11 4.77 4.39 -1.87 0.86 114.58 123.65 3iaf h GLU 214 Ca 0.28 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.78 3iaf h GLU 214 Cb -0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3iaf h GLU 214 CO -0.06 0.00 -0.75 0.00 -1.16 0.00 0.00 179.01 177.04 3iaf h ALA 215 N 2.01 0.48 0.00 3.43 0.00 -1.71 -3.25 119.26 120.22 3iaf h ALA 215 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.13 3iaf h ALA 215 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3iaf h ALA 215 CO 0.00 0.73 -0.83 0.77 0.00 0.00 0.00 179.25 179.92 3iaf h SER 216 N 0.38 0.02 0.21 0.00 0.02 -0.94 -1.12 113.55 112.12 3iaf h SER 216 Ca -0.04 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3iaf h SER 216 Cb 1.35 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.89 3iaf h SER 216 CO 0.14 0.84 -0.10 0.03 -1.14 0.00 0.00 176.83 176.60 3iaf h ARG 217 N 0.01 -0.27 0.00 3.45 2.47 -1.57 -2.93 114.38 115.55 3iaf h ARG 217 Ca -0.01 0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 3iaf h ARG 217 Cb 1.47 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.83 3iaf h ARG 217 CO 0.11 -0.00 -0.54 1.79 0.56 0.00 0.00 179.97 181.88 3iaf h THR 218 N -0.51 1.28 -5.92 2.04 1.35 -1.67 -3.45 112.91 106.04 3iaf h THR 218 Ca -0.03 -1.92 -0.42 0.00 -0.55 0.00 0.00 66.41 63.49 3iaf h THR 218 Cb 0.38 2.07 -0.13 0.00 -1.73 0.00 0.00 68.15 68.74 3iaf h THR 218 CO 0.05 0.53 -0.63 0.00 -0.25 0.00 0.00 175.52 175.22 3iaf n ALA 219 N -2.39 -1.12 -1.19 6.62 0.00 -0.42 -4.82 120.51 117.19 3iaf n ALA 219 Ca -0.01 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 3iaf n ALA 219 Cb 0.58 -2.87 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 3iaf n ALA 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iaf n ARG 220 N -3.88 3.36 0.07 0.00 5.12 -1.26 -4.70 116.66 115.37 3iaf n ARG 220 Ca 0.02 -2.03 -0.12 0.00 -1.93 0.00 0.00 57.85 53.80 3iaf n ARG 220 Cb 0.52 -2.72 -0.05 0.00 -1.16 0.00 0.00 32.46 29.05 3iaf n ARG 220 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3iaf h LYS 221 N 5.24 -0.25 -0.60 5.56 1.57 -1.91 -2.58 116.57 123.60 3iaf h LYS 221 Ca 0.79 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.65 3iaf h LYS 221 Cb 0.27 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3iaf h LYS 221 CO 1.70 -0.17 0.40 0.00 -0.57 0.00 0.00 179.45 180.81 3iaf h THR 222 N -0.26 0.99 -0.15 -0.16 1.03 -1.99 -0.11 112.91 112.26 3iaf h THR 222 Ca 0.03 -0.20 -0.17 0.00 -0.01 0.00 0.00 66.41 66.06 3iaf h THR 222 Cb 0.29 0.37 -0.00 0.00 -1.07 0.00 0.00 68.15 67.74 3iaf h THR 222 CO -0.10 0.10 -0.63 0.00 -0.01 0.00 0.00 175.52 174.88 3iaf h ALA 223 N 1.67 0.62 -0.28 0.00 0.00 -1.89 -2.88 119.26 116.51 3iaf h ALA 223 Ca 0.26 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3iaf h ALA 223 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iaf h ALA 223 CO -0.08 0.71 0.15 1.25 0.00 0.00 0.00 179.25 181.28 3iaf h LEU 224 N 0.39 0.33 0.31 0.00 5.85 -0.66 -2.00 115.31 119.53 3iaf h LEU 224 Ca -0.01 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3iaf h LEU 224 Cb 1.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3iaf h LEU 224 CO 0.12 0.27 -0.15 0.28 -0.34 0.00 0.00 178.44 178.61 3iaf h SER 225 N 0.38 -0.36 -0.99 1.25 0.02 -1.17 -1.33 113.55 111.35 3iaf h SER 225 Ca 0.10 -0.15 0.13 0.00 -0.84 0.00 0.00 61.79 61.02 3iaf h SER 225 Cb 0.01 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 3iaf h SER 225 CO -0.02 -0.02 0.63 0.00 -1.14 0.00 0.00 176.83 176.28 3iaf h ALA 226 N -0.15 1.57 -0.21 3.77 0.00 -1.31 0.72 119.26 123.65 3iaf h ALA 226 Ca -0.04 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3iaf h ALA 226 Cb 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3iaf h ALA 226 CO 0.07 0.18 -0.34 0.35 0.00 0.00 0.00 179.25 179.51 3iaf h PHE 227 N 0.95 0.74 0.00 0.00 3.04 -1.39 -2.81 116.94 117.48 3iaf h PHE 227 Ca 0.50 -0.26 -0.10 0.00 3.98 0.00 0.00 57.97 62.10 3iaf h PHE 227 Cb 0.54 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 3iaf h PHE 227 CO -0.00 0.99 -0.46 -0.24 -2.02 0.00 0.00 178.31 176.58 3iaf h VAL 228 N 0.28 1.00 -0.04 1.41 3.04 -0.54 -2.38 116.25 119.02 3iaf h VAL 228 Ca 0.02 -1.80 -0.08 0.00 -1.01 0.00 0.00 66.70 63.83 3iaf h VAL 228 Cb 0.93 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 3iaf h VAL 228 CO 0.08 0.45 -0.27 0.00 -1.01 0.00 0.00 177.57 176.82 3iaf h ALA 229 N 1.54 0.09 -0.58 3.17 0.00 -0.92 0.17 119.26 122.72 3iaf h ALA 229 Ca -0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3iaf h ALA 229 Cb 1.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3iaf h ALA 229 CO 0.06 0.12 0.01 0.00 0.00 0.00 0.00 179.25 179.44 3iaf h ALA 230 N 0.38 0.92 0.02 0.00 0.00 -1.51 -3.29 119.26 115.79 3iaf h ALA 230 Ca -0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.29 3iaf h ALA 230 Cb 0.94 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3iaf h ALA 230 CO 0.05 0.65 -1.77 0.25 0.00 0.00 0.00 179.25 178.43 3iaf n THR 231 N -4.19 1.64 -3.49 0.00 -2.24 -0.90 -4.61 114.28 100.49 3iaf n THR 231 Ca 0.03 -0.77 -0.18 0.00 -2.27 0.00 0.00 64.05 60.86 3iaf n THR 231 Cb 0.33 -1.15 0.08 0.00 -2.10 0.00 0.00 70.33 67.49 3iaf n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iaf n GLY 232 N 1.64 -0.36 3.40 3.38 0.00 0.59 -4.87 105.19 108.96 3iaf n GLY 232 Ca -0.20 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3iaf n GLY 232 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iaf s VAL 233 N -3.41 3.12 0.37 1.61 1.01 -1.25 -4.80 120.40 117.05 3iaf s VAL 233 Ca 0.04 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 3iaf s VAL 233 Cb -0.02 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 3iaf s VAL 233 CO 0.75 0.53 1.40 -2.84 0.00 0.00 0.00 175.10 174.94 3iaf s PRO 234 N 0.16 4.15 -0.12 2.72 0.02 -1.26 -4.80 135.00 135.86 3iaf s PRO 234 Ca -0.07 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.37 3iaf s PRO 234 Cb -0.15 -2.96 -0.00 0.00 0.02 0.00 0.00 34.50 31.41 3iaf s PRO 234 CO 0.05 -0.43 -0.20 0.08 -0.33 0.00 0.00 177.00 176.17 3iaf s VAL 235 N -1.15 2.35 0.42 3.83 1.01 -0.51 -0.60 120.40 125.76 3iaf s VAL 235 Ca 0.52 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.67 3iaf s VAL 235 Cb -0.43 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3iaf s VAL 235 CO 0.57 0.54 0.22 -0.36 0.00 0.00 0.00 175.10 176.07 3iaf s PHE 236 N 0.52 2.56 0.03 5.22 0.08 0.30 -0.90 117.98 125.79 3iaf s PHE 236 Ca -0.13 -0.60 -0.23 0.00 0.12 0.00 0.00 56.93 56.10 3iaf s PHE 236 Cb -0.17 -1.98 0.05 0.00 -0.57 0.00 0.00 43.02 40.35 3iaf s PHE 236 CO 0.05 0.11 0.53 0.00 -0.10 0.00 0.00 175.22 175.80 3iaf s ALA 237 N -2.60 -1.35 0.95 5.36 0.00 -0.77 -0.66 121.76 122.70 3iaf s ALA 237 Ca 0.41 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 3iaf s ALA 237 Cb 0.03 0.33 0.16 0.00 0.00 0.00 0.00 23.12 23.64 3iaf s ALA 237 CO 0.23 -0.48 1.13 0.16 0.00 0.00 0.00 175.76 176.80 3iaf s ASP 238 N -1.87 3.10 0.28 0.00 3.84 -1.01 -1.08 116.67 119.94 3iaf s ASP 238 Ca -0.06 0.96 0.00 0.00 -0.00 0.00 0.00 52.55 53.44 3iaf s ASP 238 Cb -0.01 -1.51 0.65 0.00 -1.38 0.00 0.00 42.92 40.67 3iaf s ASP 238 CO -0.00 -2.81 1.65 1.88 -0.00 0.00 0.00 175.17 175.89 3iaf h TYR 239 N -1.67 0.27 -0.09 2.11 0.05 -1.94 -1.22 116.97 114.49 3iaf h TYR 239 Ca -0.51 0.05 -0.12 0.00 0.05 0.00 0.00 58.73 58.20 3iaf h TYR 239 Cb 1.33 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.07 3iaf h TYR 239 CO 0.07 -0.21 -0.48 1.49 -1.05 0.00 0.00 178.16 177.98 3iaf h GLU 240 N 0.19 0.22 0.00 4.88 4.57 -1.92 -2.60 114.58 119.93 3iaf h GLU 240 Ca 0.52 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 3iaf h GLU 240 Cb 1.02 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3iaf h GLU 240 CO -0.65 0.66 -0.04 0.78 -1.18 0.00 0.00 179.01 178.58 3iaf h GLY 241 N 1.33 0.00 -0.41 1.92 0.00 -1.38 -3.40 103.07 101.13 3iaf h GLY 241 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.48 3iaf h GLY 241 CO 0.07 0.00 -0.16 -2.00 0.00 0.00 0.00 176.54 174.45 3iaf h LEU 242 N 0.00 -0.64 -1.84 3.11 5.85 -0.99 -0.14 115.31 120.66 3iaf h LEU 242 Ca 0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3iaf h LEU 242 Cb 0.76 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3iaf h LEU 242 CO 0.00 -0.23 0.00 0.77 -0.34 0.00 0.00 178.44 178.64 3iaf h SER 243 N 0.01 0.00 1.01 1.25 4.64 -1.79 -1.25 113.55 117.41 3iaf h SER 243 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3iaf h SER 243 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3iaf h SER 243 CO -0.72 0.00 0.00 0.24 -0.87 0.00 0.00 176.83 175.48 3iaf h MET 244 N 0.00 0.00 0.00 4.77 2.86 -1.32 -2.28 114.93 118.96 3iaf h MET 244 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3iaf h MET 244 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3iaf h MET 244 CO 0.00 0.00 -0.38 1.28 1.06 0.00 0.00 176.91 178.87 3iaf n LEU 245 N -2.71 0.53 0.31 1.22 4.77 -0.47 -4.31 117.00 116.35 3iaf n LEU 245 Ca 0.02 0.26 0.18 0.00 -0.03 0.00 0.00 56.01 56.44 3iaf n LEU 245 Cb 0.30 -0.28 1.03 0.00 -2.33 0.00 0.00 43.42 42.14 3iaf n LEU 245 CO 0.25 -0.01 1.15 0.28 -1.33 0.00 0.00 177.39 177.73 3iaf h SER 246 N 0.00 0.00 -0.19 -1.43 0.02 -1.51 -1.79 113.55 108.64 3iaf h SER 246 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iaf h SER 246 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3iaf h SER 246 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3iaf n GLY 247 N -1.23 1.09 3.76 -3.77 0.00 -1.26 -4.90 105.19 98.87 3iaf n GLY 247 Ca -0.03 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 3iaf n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaf s LEU 248 N -1.35 4.57 0.07 0.99 1.43 -0.68 -4.97 118.68 118.74 3iaf s LEU 248 Ca 0.26 2.09 -0.36 0.00 -1.03 0.00 0.00 54.13 55.09 3iaf s LEU 248 Cb 0.17 -3.67 -0.16 0.00 0.03 0.00 0.00 46.19 42.56 3iaf s LEU 248 CO 0.24 -0.01 1.46 -2.65 0.23 0.00 0.00 176.35 175.61 3iaf n PRO 249 N 1.24 1.46 -0.52 1.29 -0.02 -1.26 -4.80 135.00 132.38 3iaf n PRO 249 Ca -0.01 0.53 0.44 0.00 -2.02 0.00 0.00 63.50 62.44 3iaf n PRO 249 Cb 0.46 -2.22 0.78 0.00 -0.02 0.00 0.00 33.50 32.50 3iaf n PRO 249 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iaf h ASP 250 N 5.35 0.03 -0.41 2.55 5.19 -1.96 -2.29 116.42 124.88 3iaf h ASP 250 Ca -0.47 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 55.83 3iaf h ASP 250 Cb 1.31 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 3iaf h ASP 250 CO 0.83 -0.01 -0.20 0.00 -3.12 0.00 0.00 179.24 176.74 3iaf h ALA 251 N 1.23 0.79 -0.75 3.45 0.00 -1.98 -3.19 119.26 118.80 3iaf h ALA 251 Ca 0.77 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 55.02 3iaf h ALA 251 Cb 3.02 -0.17 -0.17 0.00 0.00 0.00 0.00 17.79 20.48 3iaf h ALA 251 CO -0.05 0.66 0.36 0.00 0.00 0.00 0.00 179.25 180.22 3iaf n MET 252 N -4.12 3.07 -3.25 0.00 -0.00 -0.86 -4.78 117.12 107.18 3iaf n MET 252 Ca 0.00 -2.77 -0.46 0.00 -0.00 0.00 0.00 57.70 54.48 3iaf n MET 252 Cb 0.44 -2.12 -0.04 0.00 -0.00 0.00 0.00 33.22 31.50 3iaf n MET 252 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3iaf s ARG 253 N -2.83 3.25 0.27 3.17 0.52 -1.21 -1.42 118.95 120.71 3iaf s ARG 253 Ca 0.51 -1.90 0.10 0.00 -0.52 0.00 0.00 55.73 53.92 3iaf s ARG 253 Cb 0.41 -4.38 0.36 0.00 0.52 0.00 0.00 34.95 31.86 3iaf s ARG 253 CO 0.12 -1.39 1.61 0.78 0.02 0.00 0.00 175.30 176.44 3iaf h GLY 254 N 8.83 0.02 0.00 -3.53 0.00 -1.34 -3.46 103.07 103.59 3iaf h GLY 254 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3iaf h GLY 254 CO 0.96 0.02 0.00 0.61 0.00 0.00 0.00 176.54 178.13 3iaf n GLY 255 N 0.23 0.14 3.74 4.60 0.00 -1.21 -4.91 105.19 107.79 3iaf n GLY 255 Ca -0.01 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 3iaf n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaf s LEU 256 N 0.00 4.55 0.64 0.99 1.43 -1.26 -1.85 118.68 123.17 3iaf s LEU 256 Ca 0.00 1.78 0.31 0.00 -1.03 0.00 0.00 54.13 55.20 3iaf s LEU 256 Cb 0.00 -3.52 1.71 0.00 0.03 0.00 0.00 46.19 44.41 3iaf s LEU 256 CO 0.00 0.05 2.01 -0.37 0.23 0.00 0.00 176.35 178.27 3iaf h VAL 257 N 3.69 0.17 -0.45 -1.59 -1.51 -1.45 -2.01 116.25 113.09 3iaf h VAL 257 Ca -0.44 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.16 3iaf h VAL 257 Cb 1.21 0.73 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 3iaf h VAL 257 CO 0.70 0.00 0.40 0.06 -1.23 0.00 0.00 177.57 177.50 3iaf h GLN 258 N 0.00 0.00 -0.63 5.19 3.07 -1.84 0.81 115.11 121.71 3iaf h GLN 258 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 3iaf h GLN 258 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 3iaf h GLN 258 CO -0.00 0.00 0.00 0.27 0.09 0.00 0.00 178.83 179.19 3iaf n ASN 259 N -4.00 5.19 0.00 0.06 0.23 -0.76 -3.50 115.26 112.48 3iaf n ASN 259 Ca 0.08 -2.64 0.06 0.00 -0.53 0.00 0.00 54.58 51.55 3iaf n ASN 259 Cb 0.60 -0.63 0.36 0.00 -2.08 0.00 0.00 39.78 38.02 3iaf n ASN 259 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3iaf n LEU 260 N 0.94 0.00 0.04 -4.53 7.94 0.28 -4.35 117.00 117.32 3iaf n LEU 260 Ca 0.27 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 55.15 3iaf n LEU 260 Cb 1.02 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.96 3iaf n LEU 260 CO 0.28 0.00 0.21 0.22 -1.11 0.00 0.00 177.39 176.99 3iaf h TYR 261 N 0.00 -0.11 0.00 1.96 3.20 -1.74 -3.29 116.97 116.99 3iaf h TYR 261 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3iaf h TYR 261 Cb 0.00 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3iaf h TYR 261 CO 0.00 -0.07 0.00 -1.13 -1.64 0.00 0.00 178.16 175.32 3iaf n SER 262 N -2.69 2.40 0.00 -2.11 3.41 -1.26 -3.43 113.62 109.93 3iaf n SER 262 Ca -0.02 -1.89 0.11 0.00 -0.26 0.00 0.00 58.87 56.81 3iaf n SER 262 Cb 0.05 -0.47 0.51 0.00 -0.26 0.00 0.00 64.21 64.04 3iaf n SER 262 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3iaf n PHE 263 N 0.41 0.00 0.01 7.33 3.72 -1.24 -3.73 117.46 123.96 3iaf n PHE 263 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 3iaf n PHE 263 Cb 0.42 -0.43 -0.09 0.00 -0.94 0.00 0.00 39.48 38.44 3iaf n PHE 263 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iaf h ALA 264 N 2.88 0.21 0.00 4.37 0.00 -1.84 0.37 119.26 125.26 3iaf h ALA 264 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3iaf h ALA 264 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iaf h ALA 264 CO 0.00 0.68 0.00 -0.22 0.00 0.00 0.00 179.25 179.71 3iaf h LYS 265 N 0.47 0.00 -0.28 0.00 1.63 -1.89 -3.27 116.57 113.22 3iaf h LYS 265 Ca -0.09 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.61 3iaf h LYS 265 Cb 1.56 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.13 3iaf h LYS 265 CO 0.18 0.00 -0.04 0.00 -3.45 0.00 0.00 179.45 176.14 3iaf n ALA 266 N -1.98 3.60 0.00 5.00 0.00 -1.24 -4.93 120.51 120.96 3iaf n ALA 266 Ca 0.03 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.70 3iaf n ALA 266 Cb 0.37 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3iaf n ALA 266 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iaf n ASP 267 N -0.91 0.00 0.00 0.00 4.64 -1.24 -4.84 116.55 114.21 3iaf n ASP 267 Ca 0.27 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.68 3iaf n ASP 267 Cb 0.94 -0.24 0.02 0.00 -1.04 0.00 0.00 41.12 40.81 3iaf n ASP 267 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3iaf n ALA 268 N 0.39 1.79 -1.53 -1.67 0.00 0.04 -4.79 120.51 114.74 3iaf n ALA 268 Ca 0.00 -0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.86 3iaf n ALA 268 Cb 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 3iaf n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaf n ALA 269 N -0.54 0.09 -1.72 0.00 0.00 -0.71 -4.81 120.51 112.82 3iaf n ALA 269 Ca 0.01 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 3iaf n ALA 269 Cb 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.22 3iaf n ALA 269 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3iaf n PRO 270 N 6.48 2.27 0.20 0.00 -0.02 -1.26 -4.96 135.00 137.71 3iaf n PRO 270 Ca 0.38 0.80 -0.09 0.00 -2.02 0.00 0.00 63.50 62.57 3iaf n PRO 270 Cb 0.09 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.11 3iaf n PRO 270 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3iaf h ASP 271 N 2.68 -0.49 -3.35 2.55 3.58 -0.93 -3.41 116.42 117.05 3iaf h ASP 271 Ca -0.47 0.02 -0.44 0.00 0.42 0.00 0.00 57.03 56.56 3iaf h ASP 271 Cb 1.27 0.13 -0.36 0.00 1.72 0.00 0.00 39.33 42.09 3iaf h ASP 271 CO 0.63 -0.08 -0.78 -0.22 -2.88 0.00 0.00 179.24 175.92 3iaf s LEU 272 N -9.00 1.07 -0.22 2.28 2.96 -1.21 -2.61 118.68 111.95 3iaf s LEU 272 Ca -0.08 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3iaf s LEU 272 Cb 0.01 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 3iaf s LEU 272 CO 0.25 -0.11 0.04 0.54 -1.32 0.00 0.00 176.35 175.75 3iaf s VAL 273 N 1.37 4.15 -0.61 1.68 0.11 -0.49 -1.62 120.40 125.00 3iaf s VAL 273 Ca -0.04 -0.24 -0.16 0.00 -2.93 0.00 0.00 61.98 58.62 3iaf s VAL 273 Cb -0.13 -2.91 0.14 0.00 -1.53 0.00 0.00 36.38 31.95 3iaf s VAL 273 CO -0.03 0.39 0.59 -0.22 -3.33 0.00 0.00 175.10 172.50 3iaf s LEU 274 N 1.27 6.17 -0.24 2.54 2.96 0.05 -0.74 118.68 130.69 3iaf s LEU 274 Ca 0.04 -1.92 -0.25 0.00 -0.22 0.00 0.00 54.13 51.79 3iaf s LEU 274 Cb -0.15 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 3iaf s LEU 274 CO 0.02 -0.84 0.83 -0.04 -1.32 0.00 0.00 176.35 175.00 3iaf s MET 275 N 1.50 4.19 -0.66 1.98 -1.94 0.13 -1.65 119.30 122.84 3iaf s MET 275 Ca 0.08 0.95 -0.00 0.00 -1.71 0.00 0.00 55.69 55.00 3iaf s MET 275 Cb -0.25 -3.64 0.17 0.00 2.01 0.00 0.00 34.83 33.12 3iaf s MET 275 CO 0.01 -0.50 0.47 -0.51 -0.01 0.00 0.00 175.02 174.48 3iaf s LEU 276 N 2.78 5.05 0.00 -0.03 1.43 -0.33 -0.91 118.68 126.66 3iaf s LEU 276 Ca 0.35 -3.18 0.00 0.00 -1.03 0.00 0.00 54.13 50.27 3iaf s LEU 276 Cb -0.15 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3iaf s LEU 276 CO 0.08 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.00 3iaf n GLY 277 N 2.99 1.57 3.72 -3.19 0.00 0.54 -1.96 105.19 108.87 3iaf n GLY 277 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3iaf n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf s ALA 278 N -3.69 3.26 0.30 4.61 0.00 -1.26 -4.20 121.76 120.79 3iaf s ALA 278 Ca 0.00 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.41 3iaf s ALA 278 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3iaf s ALA 278 CO 0.00 -0.09 0.45 1.03 0.00 0.00 0.00 175.76 177.15 3iaf s ARG 279 N 0.47 3.36 -0.30 0.00 0.52 -1.26 -4.96 118.95 116.79 3iaf s ARG 279 Ca 0.45 -0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 54.68 3iaf s ARG 279 Cb -0.21 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.48 3iaf s ARG 279 CO 0.25 0.24 1.08 -0.06 0.02 0.00 0.00 175.30 176.84 3iaf s PHE 280 N -2.14 3.16 -3.06 -0.53 0.40 -1.26 -4.40 117.98 110.15 3iaf s PHE 280 Ca 0.39 1.23 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 3iaf s PHE 280 Cb -0.09 -3.62 0.00 0.00 0.51 0.00 0.00 43.02 39.81 3iaf s PHE 280 CO 0.32 -0.77 0.00 0.41 0.70 0.00 0.00 175.22 175.88 3iaf n GLY 281 N 3.78 -0.60 0.33 4.36 0.00 -1.26 -4.91 105.19 106.91 3iaf n GLY 281 Ca 0.12 -0.65 0.25 0.00 0.00 0.00 0.00 46.02 45.74 3iaf n GLY 281 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iaf h LEU 282 N 0.00 0.49 0.00 0.99 5.85 -1.93 0.31 115.31 121.03 3iaf h LEU 282 Ca 0.00 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 3iaf h LEU 282 Cb 0.00 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3iaf h LEU 282 CO 0.00 -0.17 -0.34 0.78 -0.34 0.00 0.00 178.44 178.37 3iaf h ASN 283 N 0.29 0.00 -0.58 1.25 2.35 -1.94 -3.33 115.58 113.61 3iaf h ASN 283 Ca 0.75 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 56.07 3iaf h ASN 283 Cb 1.74 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.77 3iaf h ASN 283 CO -0.63 0.20 -0.77 0.35 -1.65 0.00 0.00 177.43 174.94 3iaf n THR 284 N -3.09 2.41 -2.35 2.81 -2.24 -0.30 -4.70 114.28 106.83 3iaf n THR 284 Ca 0.02 -3.96 -0.16 0.00 -2.27 0.00 0.00 64.05 57.68 3iaf n THR 284 Cb 0.62 -0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3iaf n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iaf n GLY 285 N -0.78 -0.28 7.00 3.38 0.00 -1.05 -4.30 105.19 109.16 3iaf n GLY 285 Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3iaf n GLY 285 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iaf n HIS 286 N -4.03 0.00 1.08 1.61 8.25 0.96 -2.12 115.22 120.96 3iaf n HIS 286 Ca -0.18 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.40 3iaf n HIS 286 Cb 0.64 0.02 0.12 0.00 1.12 0.00 0.00 29.99 31.89 3iaf n HIS 286 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iaf n GLY 287 N 0.00 0.09 0.00 -1.41 0.00 -1.26 -4.21 105.19 98.40 3iaf n GLY 287 Ca 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.46 3iaf n GLY 287 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iaf n SER 288 N 0.13 0.00 -1.81 1.61 3.41 -0.90 -4.86 113.62 111.20 3iaf n SER 288 Ca 0.11 0.17 -0.17 0.00 -0.26 0.00 0.00 58.87 58.72 3iaf n SER 288 Cb 0.46 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 3iaf n SER 288 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iaf n GLY 289 N -0.62 0.95 0.14 5.00 0.00 -1.20 -4.83 105.19 104.63 3iaf n GLY 289 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3iaf n GLY 289 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3iaf h GLN 290 N 0.00 0.00 0.00 1.61 4.20 -1.89 -3.31 115.11 115.72 3iaf h GLN 290 Ca -0.38 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.07 3iaf h GLN 290 Cb 1.20 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.94 3iaf h GLN 290 CO 0.51 0.00 -1.85 1.28 -0.67 0.00 0.00 178.83 178.10 3iaf n LEU 291 N -2.66 1.83 -4.32 1.46 7.99 -1.26 -4.36 117.00 115.68 3iaf n LEU 291 Ca 0.03 0.31 -0.46 0.00 -0.01 0.00 0.00 56.01 55.88 3iaf n LEU 291 Cb 0.50 -0.74 -0.04 0.00 -0.11 0.00 0.00 43.42 43.03 3iaf n LEU 291 CO 0.36 0.21 0.20 -0.63 -1.51 0.00 0.00 177.39 176.02 3iaf s ILE 292 N -2.61 5.28 0.29 -0.08 -1.09 -1.26 -4.82 121.20 116.92 3iaf s ILE 292 Ca -0.32 -1.68 -0.29 0.00 -2.23 0.00 0.00 60.65 56.12 3iaf s ILE 292 Cb 0.10 -4.37 -0.10 0.00 -1.58 0.00 0.00 42.46 36.51 3iaf s ILE 292 CO 0.43 -0.91 1.43 -2.16 -1.23 0.00 0.00 174.94 172.50 3iaf s PRO 293 N 1.34 4.25 0.58 2.79 0.04 -1.25 -4.51 135.00 138.25 3iaf s PRO 293 Ca 0.06 2.35 0.28 0.00 0.04 0.00 0.00 61.00 63.73 3iaf s PRO 293 Cb -0.26 -3.07 1.55 0.00 0.04 0.00 0.00 34.50 32.76 3iaf s PRO 293 CO 0.01 -0.40 2.02 0.45 0.04 0.00 0.00 177.00 179.11 3iaf h HIS 294 N 4.32 0.00 -0.53 0.56 3.86 -1.96 -1.22 115.15 120.18 3iaf h HIS 294 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 3iaf h HIS 294 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3iaf h HIS 294 CO 0.58 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.24 3iaf n SER 295 N -3.86 3.22 -4.86 2.45 3.41 -1.26 -4.91 113.62 107.81 3iaf n SER 295 Ca 0.05 -1.97 -0.35 0.00 -0.26 0.00 0.00 58.87 56.33 3iaf n SER 295 Cb 0.47 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3iaf n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaf s ALA 296 N -1.30 3.70 0.04 7.33 0.00 -0.46 -5.03 121.76 126.03 3iaf s ALA 296 Ca 0.40 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 3iaf s ALA 296 Cb 0.22 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 3iaf s ALA 296 CO 0.29 0.54 1.07 -0.65 0.00 0.00 0.00 175.76 177.01 3iaf s GLN 297 N -1.79 4.51 -0.10 0.00 -0.21 -1.07 -4.92 119.66 116.07 3iaf s GLN 297 Ca 0.32 1.58 0.01 0.00 0.02 0.00 0.00 55.36 57.29 3iaf s GLN 297 Cb -0.14 -3.40 -0.02 0.00 1.00 0.00 0.00 33.01 30.45 3iaf s GLN 297 CO 0.17 -0.12 -0.14 0.08 -2.12 0.00 0.00 175.29 173.16 3iaf s VAL 298 N 0.95 2.98 -0.28 1.09 1.01 -1.26 -1.39 120.40 123.50 3iaf s VAL 298 Ca 0.55 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3iaf s VAL 298 Cb -0.25 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 33.95 3iaf s VAL 298 CO 0.29 0.55 -0.01 -0.63 0.00 0.00 0.00 175.10 175.29 3iaf s ILE 299 N 0.05 3.11 -0.17 2.22 1.01 0.08 -1.94 121.20 125.57 3iaf s ILE 299 Ca -0.05 -1.14 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 3iaf s ILE 299 Cb -0.15 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 3iaf s ILE 299 CO 0.04 0.04 -0.12 -1.58 0.00 0.00 0.00 174.94 173.32 3iaf s GLN 300 N 1.32 3.30 -0.21 2.79 0.74 -0.75 0.17 119.66 127.04 3iaf s GLN 300 Ca -0.02 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 54.68 3iaf s GLN 300 Cb -0.18 -2.74 0.01 0.00 1.10 0.00 0.00 33.01 31.20 3iaf s GLN 300 CO -0.02 -0.00 -0.11 0.08 -0.55 0.00 0.00 175.29 174.69 3iaf s VAL 301 N 0.90 2.80 -0.19 1.34 1.01 -0.09 -1.34 120.40 124.83 3iaf s VAL 301 Ca -0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 3iaf s VAL 301 Cb -0.15 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.03 3iaf s VAL 301 CO -0.00 0.45 0.50 -0.62 0.00 0.00 0.00 175.10 175.42 3iaf s ASP 302 N 1.39 -0.54 0.59 3.32 -1.08 -1.09 -0.34 116.67 118.92 3iaf s ASP 302 Ca 0.05 1.01 0.34 0.00 -0.52 0.00 0.00 52.55 53.44 3iaf s ASP 302 Cb -0.14 1.01 1.83 0.00 -1.46 0.00 0.00 42.92 44.15 3iaf s ASP 302 CO -0.07 -0.18 2.19 -0.65 0.52 0.00 0.00 175.17 176.98 3iaf h PRO 303 N 5.62 0.00 -5.06 4.34 0.11 -1.88 -3.33 132.00 131.80 3iaf h PRO 303 Ca -0.29 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.16 3iaf h PRO 303 Cb 1.18 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.00 3iaf h PRO 303 CO 0.20 0.04 -0.76 0.34 -0.21 0.00 0.00 178.00 177.62 3iaf s ASP 304 N -5.78 4.02 0.54 -2.05 3.68 -1.26 -4.74 116.67 111.08 3iaf s ASP 304 Ca -0.03 -0.43 0.29 0.00 2.13 0.00 0.00 52.55 54.50 3iaf s ASP 304 Cb 0.13 -1.67 1.57 0.00 -1.45 0.00 0.00 42.92 41.50 3iaf s ASP 304 CO 0.52 0.01 2.13 0.00 0.13 0.00 0.00 175.17 177.96 3iaf h ALA 305 N 7.86 1.33 -0.53 3.66 0.00 -1.96 -2.28 119.26 127.34 3iaf h ALA 305 Ca -0.40 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.56 3iaf h ALA 305 Cb 1.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3iaf h ALA 305 CO 0.60 0.11 0.37 0.00 0.00 0.00 0.00 179.25 180.33 3iaf h GLU 307 N 0.18 0.00 -5.70 0.00 4.39 -1.80 -3.40 114.58 108.24 3iaf h GLU 307 Ca 0.25 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.54 3iaf h GLU 307 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 3iaf h GLU 307 CO -0.04 0.00 1.32 -0.51 -1.16 0.00 0.00 179.01 178.62 3iaf s LEU 308 N -6.21 3.30 -1.26 1.33 1.02 -0.50 -2.85 118.68 113.51 3iaf s LEU 308 Ca 0.07 0.63 -0.01 0.00 0.02 0.00 0.00 54.13 54.84 3iaf s LEU 308 Cb 0.05 -2.52 -0.00 0.00 0.02 0.00 0.00 46.19 43.74 3iaf s LEU 308 CO 0.67 -2.84 0.80 0.61 0.02 0.00 0.00 176.35 175.61 3iaf n GLY 309 N 6.05 -0.38 0.18 -3.19 0.00 -1.26 -4.91 105.19 101.68 3iaf n GLY 309 Ca 0.33 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.56 3iaf n GLY 309 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iaf h ARG 310 N -1.84 0.00 0.00 1.61 0.11 -1.75 -3.35 114.38 109.16 3iaf h ARG 310 Ca -0.61 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.47 3iaf h ARG 310 Cb 1.35 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.43 3iaf h ARG 310 CO 0.54 0.40 -1.05 1.28 0.10 0.00 0.00 179.97 181.23 3iaf n LEU 311 N -3.51 0.00 -4.10 0.08 4.77 -1.26 -5.04 117.00 107.94 3iaf n LEU 311 Ca -0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3iaf n LEU 311 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 3iaf n LEU 311 CO 0.37 0.00 -0.43 -1.10 -1.33 0.00 0.00 177.39 174.90 3iaf s GLN 312 N -2.07 0.70 -0.32 3.23 -0.21 -1.26 -4.81 119.66 114.92 3iaf s GLN 312 Ca -0.00 -0.76 -0.29 0.00 0.02 0.00 0.00 55.36 54.33 3iaf s GLN 312 Cb 0.01 -0.62 -0.01 0.00 1.00 0.00 0.00 33.01 33.38 3iaf s GLN 312 CO 0.05 0.14 1.62 0.20 -2.12 0.00 0.00 175.29 175.18 3iaf s GLY 313 N -1.37 1.01 0.45 3.09 0.00 -1.26 -4.57 107.32 104.68 3iaf s GLY 313 Ca -0.04 0.19 0.07 0.00 0.00 0.00 0.00 44.72 44.95 3iaf s GLY 313 CO 0.01 3.03 0.62 -0.26 0.00 0.00 0.00 173.10 176.50 3iaf s ILE 314 N 5.94 2.87 -0.23 0.90 -4.36 -1.26 -4.87 121.20 120.18 3iaf s ILE 314 Ca 0.72 -0.96 -0.16 0.00 -0.26 0.00 0.00 60.65 59.99 3iaf s ILE 314 Cb -0.20 -2.92 -0.11 0.00 1.25 0.00 0.00 42.46 40.47 3iaf s ILE 314 CO 0.32 0.00 -0.23 0.00 0.24 0.00 0.00 174.94 175.27 3iaf n ALA 315 N -1.96 0.99 -3.87 2.27 0.00 -0.82 -4.93 120.51 112.19 3iaf n ALA 315 Ca 0.09 -0.87 -0.30 0.00 0.00 0.00 0.00 53.44 52.36 3iaf n ALA 315 Cb 0.59 -0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.85 3iaf n ALA 315 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3iaf s LEU 316 N -7.72 1.78 -0.45 0.00 2.96 -0.96 -5.03 118.68 109.26 3iaf s LEU 316 Ca -0.33 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.07 3iaf s LEU 316 Cb 0.10 -1.21 0.12 0.00 0.50 0.00 0.00 46.19 45.70 3iaf s LEU 316 CO 0.48 -0.01 0.23 -0.83 -1.32 0.00 0.00 176.35 174.89 3iaf s GLY 317 N 1.24 2.11 -0.10 7.98 0.00 -1.26 -1.80 107.32 115.49 3iaf s GLY 317 Ca 0.00 -2.72 -0.07 0.00 0.00 0.00 0.00 44.72 41.93 3iaf s GLY 317 CO -0.07 1.03 0.17 -0.42 0.00 0.00 0.00 173.10 173.81 3iaf s ILE 318 N 0.79 5.46 -0.36 0.90 1.01 -0.45 -5.03 121.20 123.52 3iaf s ILE 318 Ca 0.11 0.24 0.04 0.00 0.00 0.00 0.00 60.65 61.03 3iaf s ILE 318 Cb -0.22 -3.44 0.10 0.00 0.01 0.00 0.00 42.46 38.92 3iaf s ILE 318 CO -0.04 0.59 0.08 0.54 0.00 0.00 0.00 174.94 176.10 3iaf s VAL 319 N -1.06 2.35 0.32 2.92 0.11 -1.26 -2.66 120.40 121.12 3iaf s VAL 319 Ca 0.17 -2.43 -0.01 0.00 -2.93 0.00 0.00 61.98 56.78 3iaf s VAL 319 Cb -0.12 -2.73 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 3iaf s VAL 319 CO 0.06 -0.62 0.43 0.00 -3.33 0.00 0.00 175.10 171.64 3iaf n ALA 320 N 4.16 -0.25 -2.46 1.54 0.00 -1.25 -4.95 120.51 117.30 3iaf n ALA 320 Ca 0.04 -1.49 -0.42 0.00 0.00 0.00 0.00 53.44 51.57 3iaf n ALA 320 Cb 0.41 1.20 -0.04 0.00 0.00 0.00 0.00 19.45 21.03 3iaf n ALA 320 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iaf s ASP 321 N -2.98 7.39 0.26 0.00 2.15 -0.59 -3.32 116.67 119.57 3iaf s ASP 321 Ca 0.27 1.77 -0.02 0.00 0.43 0.00 0.00 52.55 55.00 3iaf s ASP 321 Cb -0.01 -2.58 0.46 0.00 -0.30 0.00 0.00 42.92 40.49 3iaf s ASP 321 CO 0.19 -0.19 1.80 0.58 -0.17 0.00 0.00 175.17 177.38 3iaf h VAL 322 N 4.39 0.87 0.41 1.11 2.07 -1.86 0.10 116.25 123.34 3iaf h VAL 322 Ca -0.42 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3iaf h VAL 322 Cb 1.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3iaf h VAL 322 CO 0.74 0.14 -0.20 1.23 0.02 0.00 0.00 177.57 179.51 3iaf h GLY 323 N 0.79 -0.58 1.40 2.17 0.00 -1.92 -0.44 103.07 104.49 3iaf h GLY 323 Ca 0.43 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.97 3iaf h GLY 323 CO -0.28 -0.21 0.33 -1.33 0.00 0.00 0.00 176.54 175.05 3iaf h GLY 324 N -0.59 0.85 0.96 4.60 0.00 -1.71 -1.63 103.07 105.55 3iaf h GLY 324 Ca -0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3iaf h GLY 324 CO 0.09 0.34 0.17 -0.84 0.00 0.00 0.00 176.54 176.31 3iaf h THR 325 N 0.80 1.21 -0.69 4.70 2.02 -0.59 0.12 112.91 120.49 3iaf h THR 325 Ca 0.21 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 3iaf h THR 325 Cb 0.00 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3iaf h THR 325 CO -0.04 0.25 0.19 0.40 0.37 0.00 0.00 175.52 176.69 3iaf h ILE 326 N 0.61 1.25 -0.62 3.11 2.04 -0.75 -1.56 117.51 121.59 3iaf h ILE 326 Ca 0.15 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3iaf h ILE 326 Cb 0.21 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3iaf h ILE 326 CO -0.01 0.35 0.18 -0.08 0.00 0.00 0.00 178.15 178.59 3iaf h GLU 327 N 1.02 0.98 -0.01 2.37 4.57 -0.96 -1.28 114.58 121.28 3iaf h GLU 327 Ca 0.22 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 3iaf h GLU 327 Cb 0.32 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3iaf h GLU 327 CO -0.00 0.88 -0.33 0.00 -1.18 0.00 0.00 179.01 178.37 3iaf h ALA 328 N 1.06 1.44 0.08 2.92 0.00 -0.45 -1.40 119.26 122.90 3iaf h ALA 328 Ca 0.20 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 3iaf h ALA 328 Cb 0.32 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.08 3iaf h ALA 328 CO -0.00 0.42 -1.12 -0.07 0.00 0.00 0.00 179.25 178.48 3iaf h LEU 329 N 0.01 0.85 -1.18 0.00 3.38 -1.01 -2.63 115.31 114.74 3iaf h LEU 329 Ca -0.00 -0.80 -0.08 0.00 0.09 0.00 0.00 57.88 57.09 3iaf h LEU 329 Cb 0.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3iaf h LEU 329 CO 0.04 1.56 -0.31 0.00 0.09 0.00 0.00 178.44 179.82 3iaf h ALA 330 N 0.31 1.32 -0.13 1.53 0.00 -1.09 -0.98 119.26 120.22 3iaf h ALA 330 Ca -0.16 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3iaf h ALA 330 Cb 1.80 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 3iaf h ALA 330 CO 0.22 0.48 -0.22 0.37 0.00 0.00 0.00 179.25 180.09 3iaf h GLN 331 N 0.15 0.38 -0.06 0.00 -0.00 -1.29 -2.90 115.11 111.38 3iaf h GLN 331 Ca 0.02 -0.23 -0.19 0.00 -0.00 0.00 0.00 58.65 58.25 3iaf h GLN 331 Cb 0.63 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.13 3iaf h GLN 331 CO 0.05 0.82 -0.76 0.00 0.00 0.00 0.00 178.83 178.94 3iaf h ALA 332 N 0.55 0.58 0.00 3.38 0.00 -1.45 -3.14 119.26 119.18 3iaf h ALA 332 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3iaf h ALA 332 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3iaf h ALA 332 CO 0.05 0.78 0.00 -2.37 0.00 0.00 0.00 179.25 177.71 3iaf n THR 333 N -3.81 0.66 0.27 0.00 5.66 -0.38 -3.51 114.28 113.17 3iaf n THR 333 Ca -0.04 0.11 -0.14 0.00 -3.05 0.00 0.00 64.05 60.92 3iaf n THR 333 Cb 0.72 -0.86 -0.07 0.00 -1.55 0.00 0.00 70.33 68.57 3iaf n THR 333 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iaf h ALA 334 N 2.57 -0.71 0.07 1.79 0.00 -1.45 -3.32 119.26 118.20 3iaf h ALA 334 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 3iaf h ALA 334 Cb 0.41 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3iaf h ALA 334 CO 0.00 -0.75 -1.16 -0.56 0.00 0.00 0.00 179.25 176.78 3iaf h GLN 335 N -1.01 0.15 -4.45 0.00 -0.00 -1.76 -3.37 115.11 104.68 3iaf h GLN 335 Ca -0.07 -0.26 -0.65 0.00 -0.00 0.00 0.00 58.65 57.66 3iaf h GLN 335 Cb 0.62 0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.20 3iaf h GLN 335 CO 0.12 1.11 2.52 -3.47 -0.00 0.00 0.00 178.83 179.11 3iaf n ASP 336 N -3.44 3.19 -2.23 0.06 -0.08 -1.23 -4.73 116.55 108.08 3iaf n ASP 336 Ca -0.05 -2.75 -0.31 0.00 -1.51 0.00 0.00 54.79 50.16 3iaf n ASP 336 Cb 0.99 -1.39 0.09 0.00 2.34 0.00 0.00 41.12 43.15 3iaf n ASP 336 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iaf n ALA 337 N 7.49 6.00 -3.69 -1.67 0.00 -1.26 -4.72 120.51 122.66 3iaf n ALA 337 Ca 0.50 -3.43 -0.29 0.00 0.00 0.00 0.00 53.44 50.22 3iaf n ALA 337 Cb 0.41 -1.51 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 3iaf n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaf s ALA 338 N -3.71 2.22 0.07 0.00 0.00 -1.26 -5.12 121.76 113.96 3iaf s ALA 338 Ca 0.61 -2.70 0.08 0.00 0.00 0.00 0.00 51.96 49.95 3iaf s ALA 338 Cb 0.49 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 3iaf s ALA 338 CO 0.01 -2.06 -0.21 -1.58 0.00 0.00 0.00 175.76 171.93 3iaf s TRP 339 N 0.12 2.47 0.89 0.00 0.52 -1.26 -5.12 118.94 116.56 3iaf s TRP 339 Ca 0.20 -0.30 -0.13 0.00 0.02 0.00 0.00 56.10 55.89 3iaf s TRP 339 Cb -0.18 -1.39 0.03 0.00 -1.15 0.00 0.00 33.47 30.78 3iaf s TRP 339 CO -0.04 0.27 0.57 -2.30 0.02 0.00 0.00 176.95 175.46 3iaf n PRO 340 N 1.33 -0.13 -2.09 4.98 -0.02 -1.26 -4.90 135.00 132.91 3iaf n PRO 340 Ca -0.16 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 60.90 3iaf n PRO 340 Cb 0.52 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3iaf n PRO 340 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3iaf s ASP 341 N -1.96 5.96 -0.32 2.55 3.84 -1.26 -4.89 116.67 120.59 3iaf s ASP 341 Ca 0.61 1.09 0.11 0.00 -0.00 0.00 0.00 52.55 54.36 3iaf s ASP 341 Cb -0.25 -2.53 0.46 0.00 -1.38 0.00 0.00 42.92 39.22 3iaf s ASP 341 CO 0.63 -1.69 1.13 0.54 -0.00 0.00 0.00 175.17 175.78 3iaf n ARG 342 N 8.41 2.99 0.12 2.11 5.12 -1.26 -4.79 116.66 129.35 3iaf n ARG 342 Ca 0.21 -4.04 -0.20 0.00 -1.93 0.00 0.00 57.85 51.89 3iaf n ARG 342 Cb 0.47 -2.05 -0.15 0.00 -1.16 0.00 0.00 32.46 29.58 3iaf n ARG 342 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3iaf h GLY 343 N 2.43 0.44 -2.82 -0.13 0.00 -1.91 -3.34 103.07 97.74 3iaf h GLY 343 Ca 0.21 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.42 3iaf h GLY 343 CO 0.65 0.99 0.00 1.22 0.00 0.00 0.00 176.54 179.40 3iaf n ASP 344 N -3.60 4.76 -0.08 0.19 8.00 -1.26 -3.01 116.55 121.54 3iaf n ASP 344 Ca -0.13 -2.63 -0.09 0.00 0.71 0.00 0.00 54.79 52.64 3iaf n ASP 344 Cb 1.06 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 3iaf n ASP 344 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3iaf n TRP 345 N 0.69 0.00 -0.18 1.24 -0.00 -1.26 -4.19 117.44 113.73 3iaf n TRP 345 Ca 0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.67 3iaf n TRP 345 Cb 0.94 -0.73 0.02 0.00 -0.00 0.00 0.00 31.31 31.54 3iaf n TRP 345 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3iaf h ALA 347 N 1.10 1.22 -0.24 0.00 0.00 -1.77 -0.40 119.26 119.18 3iaf h ALA 347 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3iaf h ALA 347 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3iaf h ALA 347 CO -0.03 0.58 0.01 -0.22 0.00 0.00 0.00 179.25 179.59 3iaf h LYS 348 N 0.99 0.42 -0.24 0.00 1.63 -1.68 0.31 116.57 117.99 3iaf h LYS 348 Ca 0.24 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 3iaf h LYS 348 Cb 0.15 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 3iaf h LYS 348 CO -0.02 0.58 0.11 0.28 -3.45 0.00 0.00 179.45 176.95 3iaf h VAL 349 N 0.20 1.15 -0.36 2.00 2.07 -1.23 0.75 116.25 120.83 3iaf h VAL 349 Ca 0.07 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3iaf h VAL 349 Cb 0.39 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3iaf h VAL 349 CO 0.01 0.15 0.21 0.74 0.02 0.00 0.00 177.57 178.70 3iaf h THR 350 N 0.25 1.04 -0.01 2.57 2.02 -0.99 -2.73 112.91 115.07 3iaf h THR 350 Ca 0.08 -0.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 3iaf h THR 350 Cb 0.13 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3iaf h THR 350 CO -0.01 0.08 -0.66 0.44 0.37 0.00 0.00 175.52 175.74 3iaf h ASP 351 N 0.43 0.04 -0.03 4.18 5.19 -0.14 -0.84 116.42 125.25 3iaf h ASP 351 Ca 0.14 -0.03 -0.19 0.00 -0.62 0.00 0.00 57.03 56.33 3iaf h ASP 351 Cb -0.00 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3iaf h ASP 351 CO -0.06 0.69 -0.65 -0.07 -3.12 0.00 0.00 179.24 176.02 3iaf h LEU 352 N 0.03 0.75 -0.59 1.55 3.38 -0.83 0.57 115.31 120.17 3iaf h LEU 352 Ca -0.01 -0.45 -0.15 0.00 0.09 0.00 0.00 57.88 57.36 3iaf h LEU 352 Cb 1.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3iaf h LEU 352 CO 0.09 1.21 -0.51 0.00 0.09 0.00 0.00 178.44 179.32 3iaf h ALA 353 N 0.79 0.77 -0.66 1.53 0.00 -1.43 -2.41 119.26 117.83 3iaf h ALA 353 Ca -0.02 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3iaf h ALA 353 Cb 1.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3iaf h ALA 353 CO 0.13 0.68 0.17 0.37 0.00 0.00 0.00 179.25 180.60 3iaf h GLN 354 N 0.41 1.04 0.90 0.00 5.75 -1.07 -2.51 115.11 119.64 3iaf h GLN 354 Ca 0.02 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.24 3iaf h GLN 354 Cb 1.03 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.44 3iaf h GLN 354 CO 0.09 0.91 -0.47 0.93 -2.65 0.00 0.00 178.83 177.64 3iaf h GLU 355 N 1.00 -1.22 -0.87 1.69 5.08 -0.70 -1.26 114.58 118.30 3iaf h GLU 355 Ca 0.21 0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 3iaf h GLU 355 Cb 0.33 0.28 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 3iaf h GLU 355 CO -0.00 -0.81 0.56 -0.09 -1.00 0.00 0.00 179.01 177.67 3iaf h ARG 356 N -1.26 0.73 0.60 2.33 2.43 -1.47 0.14 114.38 117.89 3iaf h ARG 356 Ca -0.12 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3iaf h ARG 356 Cb 0.98 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3iaf h ARG 356 CO 0.18 0.49 -0.29 -0.92 -1.51 0.00 0.00 179.97 177.91 3iaf h TYR 357 N 0.76 -0.75 -0.74 2.20 3.20 -1.36 -2.77 116.97 117.50 3iaf h TYR 357 Ca 0.42 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.36 3iaf h TYR 357 Cb 0.57 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 3iaf h TYR 357 CO -0.00 -0.47 0.48 0.00 -1.64 0.00 0.00 178.16 176.53 3iaf h ALA 358 N -1.54 1.82 -0.87 1.82 0.00 -0.85 -1.51 119.26 118.12 3iaf h ALA 358 Ca -0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3iaf h ALA 358 Cb 0.62 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3iaf h ALA 358 CO 0.14 0.04 0.55 1.03 0.00 0.00 0.00 179.25 181.00 3iaf h SER 359 N 0.66 0.89 0.65 0.00 0.87 -0.74 -1.99 113.55 113.89 3iaf h SER 359 Ca 0.34 0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 60.68 3iaf h SER 359 Cb 0.44 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3iaf h SER 359 CO -0.12 0.59 -1.01 0.40 -0.53 0.00 0.00 176.83 176.15 3iaf h ILE 360 N 1.03 1.53 -0.43 2.23 1.08 -1.00 -3.11 117.51 118.84 3iaf h ILE 360 Ca 0.37 -2.88 -0.03 0.00 -0.39 0.00 0.00 64.86 61.93 3iaf h ILE 360 Cb 0.10 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.51 3iaf h ILE 360 CO -0.15 0.84 0.15 0.00 -0.69 0.00 0.00 178.15 178.30 3iaf h ALA 361 N 0.84 1.46 -0.09 1.87 0.00 -1.16 -2.69 119.26 119.49 3iaf h ALA 361 Ca -0.07 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3iaf h ALA 361 Cb 1.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3iaf h ALA 361 CO 0.16 0.41 -0.55 0.00 0.00 0.00 0.00 179.25 179.27 3iaf h ALA 362 N 1.55 0.91 -0.43 0.00 0.00 -1.36 -3.10 119.26 116.84 3iaf h ALA 362 Ca 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3iaf h ALA 362 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iaf h ALA 362 CO -0.01 0.69 0.00 1.63 0.00 0.00 0.00 179.25 181.56 3iaf n LYS 363 N -3.92 2.72 -3.75 0.00 5.02 -1.03 -4.82 118.16 112.38 3iaf n LYS 363 Ca -0.02 -1.86 -0.37 0.00 -2.02 0.00 0.00 58.31 54.05 3iaf n LYS 363 Cb 0.58 -1.64 -0.11 0.00 -0.02 0.00 0.00 35.03 33.83 3iaf n LYS 363 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3iaf s SER 364 N -0.78 5.30 -0.12 4.39 0.15 -1.12 -5.07 113.70 116.45 3iaf s SER 364 Ca 0.33 -1.99 -0.06 0.00 0.70 0.00 0.00 55.95 54.94 3iaf s SER 364 Cb 0.21 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 3iaf s SER 364 CO 0.17 -0.55 0.09 -0.44 1.20 0.00 0.00 173.24 173.71 3iaf s SER 365 N 1.90 5.97 -0.09 5.45 0.01 -1.26 -5.01 113.70 120.68 3iaf s SER 365 Ca 0.07 0.33 0.13 0.00 1.31 0.00 0.00 55.95 57.79 3iaf s SER 365 Cb -0.23 -1.89 0.29 0.00 0.21 0.00 0.00 66.02 64.40 3iaf s SER 365 CO -0.04 0.37 1.20 -0.24 0.41 0.00 0.00 173.24 174.94 3iaf n SER 366 N 2.25 2.76 -4.71 2.44 2.88 -1.26 -4.49 113.62 113.48 3iaf n SER 366 Ca -0.19 -2.63 -0.42 0.00 -1.33 0.00 0.00 58.87 54.30 3iaf n SER 366 Cb 0.54 -0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 3iaf n SER 366 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3iaf s GLU 367 N -2.11 4.52 0.00 -1.46 2.12 -1.26 -3.88 118.70 116.63 3iaf s GLU 367 Ca 0.26 1.60 0.00 0.00 0.36 0.00 0.00 54.97 57.18 3iaf s GLU 367 Cb 0.20 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3iaf s GLU 367 CO 0.06 -0.11 0.00 0.72 -0.54 0.00 0.00 175.26 175.39 3iaf n HIS 368 N 3.71 0.00 -3.76 5.30 8.25 -1.26 -4.88 115.22 122.57 3iaf n HIS 368 Ca 0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 3iaf n HIS 368 Cb 0.48 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 3iaf n HIS 368 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iaf s ALA 369 N -0.02 -0.58 -0.06 -1.41 0.00 -1.25 -5.12 121.76 113.31 3iaf s ALA 369 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 3iaf s ALA 369 Cb 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 3iaf s ALA 369 CO 0.00 -0.15 1.51 -1.17 0.00 0.00 0.00 175.76 175.95 3iaf s LEU 370 N 0.59 4.29 0.20 0.00 2.96 -1.26 -4.41 118.68 121.04 3iaf s LEU 370 Ca -0.04 2.10 -0.30 0.00 -0.22 0.00 0.00 54.13 55.68 3iaf s LEU 370 Cb -0.05 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 3iaf s LEU 370 CO -0.03 -0.84 1.21 -2.28 -1.32 0.00 0.00 176.35 173.09 3iaf s HIS 371 N 3.45 3.40 0.44 5.38 5.65 -1.26 -0.49 115.29 131.86 3iaf s HIS 371 Ca 0.67 1.41 0.17 0.00 0.25 0.00 0.00 55.06 57.57 3iaf s HIS 371 Cb -0.31 -3.45 1.10 0.00 -1.18 0.00 0.00 32.58 28.74 3iaf s HIS 371 CO 0.26 -1.27 1.93 -1.35 -0.65 0.00 0.00 174.74 173.66 3iaf h PRO 372 N 5.10 0.34 -0.52 2.88 0.11 -1.94 -2.06 132.00 135.92 3iaf h PRO 372 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3iaf h PRO 372 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3iaf h PRO 372 CO 0.74 0.23 -0.03 0.35 -0.21 0.00 0.00 178.00 179.08 3iaf h PHE 373 N 0.35 0.98 -0.22 0.65 3.04 -1.91 -1.08 116.94 118.75 3iaf h PHE 373 Ca 0.35 -0.16 -0.20 0.00 3.98 0.00 0.00 57.97 61.93 3iaf h PHE 373 Cb 0.86 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.11 3iaf h PHE 373 CO -0.00 0.90 -0.65 0.45 -2.02 0.00 0.00 178.31 176.99 3iaf h HIS 374 N 0.83 1.04 0.00 0.41 3.86 -1.78 -2.11 115.15 117.40 3iaf h HIS 374 Ca 0.15 -0.41 -0.06 0.00 -1.16 0.00 0.00 60.37 58.89 3iaf h HIS 374 Cb 0.54 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3iaf h HIS 374 CO 0.03 1.24 -0.26 0.00 0.86 0.00 0.00 177.93 179.79 3iaf h ALA 375 N 0.66 1.44 -0.40 2.45 0.00 -1.34 -1.98 119.26 120.10 3iaf h ALA 375 Ca -0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3iaf h ALA 375 Cb 1.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3iaf h ALA 375 CO 0.14 0.33 -0.31 0.77 0.00 0.00 0.00 179.25 180.17 3iaf h SER 376 N 0.00 0.96 0.62 0.00 0.02 -1.03 -3.08 113.55 111.04 3iaf h SER 376 Ca -0.00 -0.45 -0.05 0.00 -0.84 0.00 0.00 61.79 60.45 3iaf h SER 376 Cb 0.50 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3iaf h SER 376 CO 0.03 1.20 -0.24 1.56 -1.14 0.00 0.00 176.83 178.25 3iaf h GLN 377 N 0.73 0.00 -0.17 3.45 4.20 -0.93 -1.23 115.11 121.16 3iaf h GLN 377 Ca 0.07 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3iaf h GLN 377 Cb 0.90 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 3iaf h GLN 377 CO 0.08 0.24 -0.15 0.28 -0.67 0.00 0.00 178.83 178.61 3iaf h VAL 378 N 0.00 1.33 -0.21 -0.54 2.07 -1.33 -2.62 116.25 114.96 3iaf h VAL 378 Ca -0.00 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3iaf h VAL 378 Cb 0.61 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3iaf h VAL 378 CO 0.03 0.38 0.10 0.40 0.02 0.00 0.00 177.57 178.50 3iaf h ILE 379 N 0.06 1.14 -0.90 4.57 2.04 -1.45 -3.25 117.51 119.73 3iaf h ILE 379 Ca 0.03 -0.41 0.16 0.00 1.00 0.00 0.00 64.86 65.64 3iaf h ILE 379 Cb 0.67 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 3iaf h ILE 379 CO 0.04 0.14 0.58 0.00 0.00 0.00 0.00 178.15 178.90 3iaf h ALA 380 N 0.96 1.91 0.00 1.87 0.00 -1.20 0.15 119.26 122.94 3iaf h ALA 380 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iaf h ALA 380 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iaf h ALA 380 CO -0.01 -0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.70 3iaf n LYS 381 N -4.57 0.05 -0.46 0.00 4.76 -0.99 -1.97 118.16 114.97 3iaf n LYS 381 Ca 0.18 0.41 0.08 0.00 -2.87 0.00 0.00 58.31 56.12 3iaf n LYS 381 Cb 0.53 -1.62 0.27 0.00 -1.84 0.00 0.00 35.03 32.37 3iaf n LYS 381 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3iaf n HIS 382 N -1.71 1.03 -3.73 2.13 8.25 0.52 -4.98 115.22 116.74 3iaf n HIS 382 Ca 0.01 -0.76 -0.38 0.00 -0.26 0.00 0.00 57.72 56.34 3iaf n HIS 382 Cb 0.10 -0.27 -0.12 0.00 1.12 0.00 0.00 29.99 30.82 3iaf n HIS 382 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3iaf s VAL 383 N -2.34 3.96 0.00 1.59 1.01 -0.83 -4.88 120.40 118.90 3iaf s VAL 383 Ca 0.41 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3iaf s VAL 383 Cb 0.30 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3iaf s VAL 383 CO 0.13 -0.10 0.00 -0.90 0.00 0.00 0.00 175.10 174.23 3iaf n ASP 384 N 4.86 0.39 0.12 3.32 5.68 -1.26 -4.02 116.55 125.64 3iaf n ASP 384 Ca -0.13 -0.67 0.10 0.00 -0.50 0.00 0.00 54.79 53.59 3iaf n ASP 384 Cb 0.46 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.91 3iaf n ASP 384 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iaf n ALA 385 N -3.00 1.39 1.47 2.12 0.00 -0.77 -1.87 120.51 119.85 3iaf n ALA 385 Ca 0.00 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3iaf n ALA 385 Cb 0.00 -1.32 0.50 0.00 0.00 0.00 0.00 19.45 18.63 3iaf n ALA 385 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 386 N -0.58 -0.06 3.07 0.00 0.00 -1.26 -3.79 105.19 102.56 3iaf n GLY 386 Ca 0.01 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 3iaf n GLY 386 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iaf s VAL 387 N -1.91 1.38 -0.08 1.61 1.01 -0.84 -1.01 120.40 120.56 3iaf s VAL 387 Ca 0.35 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 3iaf s VAL 387 Cb 0.19 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3iaf s VAL 387 CO 0.29 0.41 0.35 -0.89 0.00 0.00 0.00 175.10 175.27 3iaf s THR 388 N 0.60 5.19 -0.15 3.92 2.01 0.78 -0.28 115.64 127.72 3iaf s THR 388 Ca -0.15 0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.54 3iaf s THR 388 Cb -0.16 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 3iaf s THR 388 CO 0.05 0.49 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 3iaf s VAL 389 N -0.33 3.17 -0.18 3.82 1.01 0.06 -1.15 120.40 126.80 3iaf s VAL 389 Ca 0.21 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3iaf s VAL 389 Cb -0.15 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3iaf s VAL 389 CO 0.09 0.51 -0.03 -0.69 0.00 0.00 0.00 175.10 174.98 3iaf s VAL 390 N 0.54 3.76 -0.12 2.92 1.01 -0.06 0.06 120.40 128.51 3iaf s VAL 390 Ca -0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3iaf s VAL 390 Cb -0.15 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3iaf s VAL 390 CO 0.03 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.50 3iaf s ALA 391 N 0.84 2.80 0.23 5.51 0.00 0.75 -0.10 121.76 131.79 3iaf s ALA 391 Ca -0.00 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3iaf s ALA 391 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3iaf s ALA 391 CO 0.02 0.31 0.14 0.34 0.00 0.00 0.00 175.76 176.57 3iaf s ASP 392 N 0.11 0.57 0.00 0.00 -1.08 -0.61 -3.97 116.67 111.67 3iaf s ASP 392 Ca -0.04 -1.44 0.00 0.00 -0.52 0.00 0.00 52.55 50.55 3iaf s ASP 392 Cb -0.14 0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.69 3iaf s ASP 392 CO 0.04 -0.85 0.00 0.61 0.52 0.00 0.00 175.17 175.49 3iaf n GLY 393 N -0.36 0.92 7.00 2.66 0.00 -1.26 -3.67 105.19 110.49 3iaf n GLY 393 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3iaf n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf n ALA 394 N -1.98 0.00 -0.33 4.61 0.00 -1.26 -0.65 120.51 120.90 3iaf n ALA 394 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 3iaf n ALA 394 Cb 0.42 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.28 3iaf n ALA 394 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3iaf h LEU 395 N 0.00 0.48 -0.40 0.00 3.38 -1.92 0.99 115.31 117.84 3iaf h LEU 395 Ca 0.00 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3iaf h LEU 395 Cb 0.00 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 3iaf h LEU 395 CO 0.00 -0.05 -0.28 0.74 0.09 0.00 0.00 178.44 178.94 3iaf h THR 396 N 0.39 0.30 0.00 0.22 2.02 -1.15 -2.66 112.91 112.03 3iaf h THR 396 Ca 0.67 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.65 3iaf h THR 396 Cb 1.42 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3iaf h THR 396 CO -0.57 0.00 -0.99 0.10 0.37 0.00 0.00 175.52 174.44 3iaf h TYR 397 N -0.21 0.00 0.00 3.16 -0.00 -0.88 -1.95 116.97 117.09 3iaf h TYR 397 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.91 3iaf h TYR 397 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.23 3iaf h TYR 397 CO -0.50 0.93 -0.29 1.47 -0.00 0.00 0.00 178.16 179.77 3iaf n LEU 398 N -3.31 0.47 0.13 0.10 -0.00 -1.04 1.00 117.00 114.35 3iaf n LEU 398 Ca -0.01 0.31 -0.24 0.00 -0.00 0.00 0.00 56.01 56.07 3iaf n LEU 398 Cb 0.92 -0.32 -0.16 0.00 -0.00 0.00 0.00 43.42 43.86 3iaf n LEU 398 CO 0.46 -0.01 -0.22 -0.50 -0.00 0.00 0.00 177.39 177.11 3iaf h TRP 399 N 0.00 0.92 -0.68 1.47 4.06 -1.51 -3.31 115.95 116.89 3iaf h TRP 399 Ca 0.00 -0.67 -0.03 0.00 2.06 0.00 0.00 58.89 60.25 3iaf h TRP 399 Cb 0.61 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 3iaf h TRP 399 CO 0.00 1.54 0.31 1.25 -3.56 0.00 0.00 178.44 177.98 3iaf h LEU 400 N 0.07 0.90 -1.82 -4.49 5.85 -1.10 -2.04 115.31 112.68 3iaf h LEU 400 Ca -0.25 -0.14 0.20 0.00 0.84 0.00 0.00 57.88 58.53 3iaf h LEU 400 Cb 2.10 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.86 3iaf h LEU 400 CO 0.25 0.80 0.54 0.77 -0.34 0.00 0.00 178.44 180.46 3iaf h SER 401 N 0.95 0.16 0.88 1.25 4.64 0.50 -2.35 113.55 119.59 3iaf h SER 401 Ca 0.23 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 3iaf h SER 401 Cb 0.15 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3iaf h SER 401 CO -0.03 0.07 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.55 3iaf h GLU 402 N 0.16 0.00 0.00 4.77 4.39 -1.45 -2.85 114.58 119.59 3iaf h GLU 402 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 3iaf h GLU 402 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3iaf h GLU 402 CO -0.06 0.13 -1.53 1.33 -1.16 0.00 0.00 179.01 177.71 3iaf n VAL 403 N -3.30 0.00 0.32 3.13 0.24 -0.91 -4.66 118.33 113.14 3iaf n VAL 403 Ca 0.00 -0.32 0.16 0.00 -2.04 0.00 0.00 64.34 62.14 3iaf n VAL 403 Cb 0.36 0.36 0.69 0.00 -1.47 0.00 0.00 33.84 33.77 3iaf n VAL 403 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3iaf h MET 404 N 0.00 0.00 0.00 7.34 2.86 -1.24 -3.11 114.93 120.78 3iaf h MET 404 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3iaf h MET 404 Cb 0.71 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3iaf h MET 404 CO 0.00 0.00 -0.48 0.77 1.06 0.00 0.00 176.91 178.26 3iaf h SER 405 N 0.00 0.00 -0.61 1.22 0.02 -1.83 -3.31 113.55 109.03 3iaf h SER 405 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iaf h SER 405 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3iaf h SER 405 CO 0.00 0.48 0.00 -2.11 -1.14 0.00 0.00 176.83 174.06 3iaf n ARG 406 N -3.34 3.28 -4.59 3.45 1.85 -1.17 -4.68 116.66 111.46 3iaf n ARG 406 Ca 0.01 -2.71 -0.27 0.00 -1.00 0.00 0.00 57.85 53.88 3iaf n ARG 406 Cb 0.66 -1.71 -0.11 0.00 -1.05 0.00 0.00 32.46 30.25 3iaf n ARG 406 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3iaf s VAL 407 N -1.53 1.97 -0.75 8.89 -7.23 -1.25 -5.11 120.40 115.39 3iaf s VAL 407 Ca 0.46 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 3iaf s VAL 407 Cb 0.28 -2.93 0.18 0.00 0.56 0.00 0.00 36.38 34.48 3iaf s VAL 407 CO 0.25 -0.03 0.56 -0.54 -0.31 0.00 0.00 175.10 175.03 3iaf s LYS 408 N -3.71 2.68 0.39 4.82 1.02 -1.26 -4.95 119.74 118.73 3iaf s LYS 408 Ca 0.35 -3.28 -0.26 0.00 0.02 0.00 0.00 55.97 52.80 3iaf s LYS 408 Cb 0.09 -3.58 -0.09 0.00 -0.52 0.00 0.00 37.83 33.73 3iaf s LYS 408 CO 0.18 -1.27 1.22 -1.25 -0.92 0.00 0.00 175.35 173.31 3iaf s PRO 409 N -1.34 4.08 0.31 -1.68 0.04 -1.26 -1.84 135.00 133.31 3iaf s PRO 409 Ca 0.25 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.27 3iaf s PRO 409 Cb -0.07 -2.77 0.49 0.00 0.04 0.00 0.00 34.50 32.19 3iaf s PRO 409 CO -0.14 -0.34 1.92 0.78 0.04 0.00 0.00 177.00 179.26 3iaf h GLY 410 N 2.79 0.94 -3.81 0.56 0.00 0.10 -3.43 103.07 100.21 3iaf h GLY 410 Ca -0.49 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.32 3iaf h GLY 410 CO 0.63 0.41 -0.16 -0.32 0.00 0.00 0.00 176.54 177.10 3iaf s GLY 411 N -3.52 -0.22 -0.24 4.60 0.00 -1.10 -4.91 107.32 101.92 3iaf s GLY 411 Ca -0.10 0.21 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 3iaf s GLY 411 CO 0.79 -0.03 0.20 -0.12 0.00 0.00 0.00 173.10 173.94 3iaf s PHE 412 N -2.43 -0.11 -0.45 1.90 5.36 -1.26 -0.76 117.98 120.23 3iaf s PHE 412 Ca -0.06 -0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 55.64 3iaf s PHE 412 Cb -0.01 -0.57 0.12 0.00 -0.34 0.00 0.00 43.02 42.22 3iaf s PHE 412 CO -0.02 -0.74 0.26 -0.51 -1.46 0.00 0.00 175.22 172.76 3iaf s LEU 413 N 2.25 5.35 0.00 6.12 1.43 0.11 -4.50 118.68 129.44 3iaf s LEU 413 Ca 0.07 -2.12 0.03 0.00 -1.03 0.00 0.00 54.13 51.08 3iaf s LEU 413 Cb -0.15 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.23 3iaf s LEU 413 CO -0.24 -0.55 0.26 0.00 0.23 0.00 0.00 176.35 176.06 3iaf s HIS 415 N -1.83 2.89 0.00 0.00 3.76 -1.26 -4.92 115.29 113.94 3iaf s HIS 415 Ca 0.20 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.60 3iaf s HIS 415 Cb -0.02 -3.51 0.00 0.00 1.11 0.00 0.00 32.58 30.17 3iaf s HIS 415 CO 0.13 -1.71 0.00 0.41 -0.85 0.00 0.00 174.74 172.72 3iaf n GLY 416 N 0.61 0.98 0.24 -2.22 0.00 -1.26 -4.92 105.19 98.62 3iaf n GLY 416 Ca 0.05 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.24 3iaf n GLY 416 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iaf h TYR 417 N 0.00 0.00 -0.72 1.61 0.05 -1.94 -2.67 116.97 113.30 3iaf h TYR 417 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3iaf h TYR 417 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 3iaf h TYR 417 CO 0.00 0.14 0.28 1.25 -1.05 0.00 0.00 178.16 178.77 3iaf h LEU 418 N 0.00 0.99 -1.28 3.88 7.12 -1.91 -3.47 115.31 120.63 3iaf h LEU 418 Ca -0.00 -0.15 -0.47 0.00 0.13 0.00 0.00 57.88 57.39 3iaf h LEU 418 Cb 0.25 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 3iaf h LEU 418 CO 0.02 0.89 -0.79 0.61 -0.13 0.00 0.00 178.44 179.03 3iaf n GLY 419 N -0.91 -0.41 3.58 3.75 0.00 -1.01 -4.92 105.19 105.27 3iaf n GLY 419 Ca 0.06 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3iaf n GLY 419 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iaf s SER 420 N -3.69 6.51 -0.07 1.61 0.15 -1.26 -4.98 113.70 111.96 3iaf s SER 420 Ca 0.43 0.21 -0.32 0.00 0.70 0.00 0.00 55.95 56.97 3iaf s SER 420 Cb -0.22 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.45 3iaf s SER 420 CO 0.83 -1.38 1.97 0.23 1.20 0.00 0.00 173.24 176.09 3iaf n MET 421 N 8.15 2.33 0.00 5.44 2.81 -1.26 -2.82 117.12 131.77 3iaf n MET 421 Ca 0.09 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 56.82 3iaf n MET 421 Cb 0.49 -2.82 0.00 0.00 -0.71 0.00 0.00 33.22 30.18 3iaf n MET 421 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iaf n GLY 422 N 4.71 0.78 0.08 3.03 0.00 -1.26 -4.94 105.19 107.58 3iaf n GLY 422 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 3iaf n GLY 422 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iaf n VAL 423 N -0.90 0.77 -0.05 1.61 0.24 -1.13 -3.98 118.33 114.89 3iaf n VAL 423 Ca 0.00 0.15 -0.04 0.00 -2.04 0.00 0.00 64.34 62.40 3iaf n VAL 423 Cb 0.00 -0.98 0.17 0.00 -1.47 0.00 0.00 33.84 31.57 3iaf n VAL 423 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3iaf h GLY 424 N 2.88 0.70 0.90 7.63 0.00 -1.87 -2.81 103.07 110.51 3iaf h GLY 424 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3iaf h GLY 424 CO 0.00 0.49 -0.29 -2.75 0.00 0.00 0.00 176.54 173.99 3iaf h PHE 425 N 0.59 -0.74 -0.37 5.60 3.04 -1.94 0.15 116.94 123.27 3iaf h PHE 425 Ca 0.10 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.08 3iaf h PHE 425 Cb 0.58 0.24 -0.04 0.00 2.56 0.00 0.00 35.95 39.29 3iaf h PHE 425 CO 0.03 -0.42 0.11 0.78 -2.02 0.00 0.00 178.31 176.79 3iaf h GLY 426 N -0.91 0.46 0.34 2.40 0.00 -1.79 -0.48 103.07 103.10 3iaf h GLY 426 Ca -0.08 -0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.29 3iaf h GLY 426 CO 0.13 0.01 0.21 -0.84 0.00 0.00 0.00 176.54 176.05 3iaf h THR 427 N 0.26 0.74 -0.31 4.70 2.02 -1.41 -1.25 112.91 117.65 3iaf h THR 427 Ca 0.17 -0.13 -0.18 0.00 0.77 0.00 0.00 66.41 67.05 3iaf h THR 427 Cb 0.17 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3iaf h THR 427 CO -0.19 0.07 -0.49 0.00 0.37 0.00 0.00 175.52 175.27 3iaf h ALA 428 N 1.43 0.48 -0.19 6.16 0.00 -0.23 -0.52 119.26 126.39 3iaf h ALA 428 Ca 0.31 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3iaf h ALA 428 Cb 0.41 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3iaf h ALA 428 CO -0.33 0.66 -0.06 1.25 0.00 0.00 0.00 179.25 180.78 3iaf h LEU 429 N 0.68 -0.21 -0.65 0.00 6.46 -0.75 0.74 115.31 121.58 3iaf h LEU 429 Ca 0.03 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 3iaf h LEU 429 Cb 1.10 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.14 3iaf h LEU 429 CO 0.11 -0.08 0.15 1.23 -0.62 0.00 0.00 178.44 179.24 3iaf h GLY 430 N -0.02 1.12 1.16 3.75 0.00 -1.17 -2.71 103.07 105.20 3iaf h GLY 430 Ca 0.10 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 3iaf h GLY 430 CO -0.21 0.66 0.49 0.00 0.00 0.00 0.00 176.54 177.48 3iaf h ALA 431 N 1.06 1.32 -0.13 3.60 0.00 -0.81 -2.44 119.26 121.87 3iaf h ALA 431 Ca 0.20 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3iaf h ALA 431 Cb 0.37 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iaf h ALA 431 CO 0.00 0.58 -0.24 0.37 0.00 0.00 0.00 179.25 179.97 3iaf h GLN 432 N 1.13 0.22 -0.44 0.00 5.75 -0.58 0.15 115.11 121.34 3iaf h GLN 432 Ca 0.30 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.66 3iaf h GLN 432 Cb -0.05 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3iaf h GLN 432 CO -0.06 0.45 0.01 0.28 -2.65 0.00 0.00 178.83 176.86 3iaf h VAL 433 N 0.20 1.26 -0.36 2.39 2.07 -1.15 -1.57 116.25 119.09 3iaf h VAL 433 Ca 0.03 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 3iaf h VAL 433 Cb 0.53 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3iaf h VAL 433 CO 0.04 0.35 -0.00 0.00 0.02 0.00 0.00 177.57 177.98 3iaf h ALA 434 N 0.91 0.49 0.00 1.67 0.00 -1.10 -3.14 119.26 118.09 3iaf h ALA 434 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iaf h ALA 434 Cb 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iaf h ALA 434 CO 0.02 0.26 -0.01 -0.44 0.00 0.00 0.00 179.25 179.08 3iaf h ASP 435 N 0.46 0.00 -0.51 0.00 3.32 -0.61 -2.80 116.42 116.28 3iaf h ASP 435 Ca 0.10 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 3iaf h ASP 435 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3iaf h ASP 435 CO 0.02 0.01 -0.10 0.25 -1.72 0.00 0.00 179.24 177.70 3iaf h LEU 436 N 0.00 0.97 -0.54 1.55 5.85 -1.23 1.00 115.31 122.90 3iaf h LEU 436 Ca -0.00 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 3iaf h LEU 436 Cb 0.47 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3iaf h LEU 436 CO 0.00 1.10 0.20 -0.33 -0.34 0.00 0.00 178.44 179.07 3iaf h GLU 437 N 0.83 0.82 -0.46 1.25 5.08 -1.59 -2.95 114.58 117.57 3iaf h GLU 437 Ca 0.13 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3iaf h GLU 437 Cb 0.66 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3iaf h GLU 437 CO 0.05 0.73 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 3iaf n ALA 438 N -2.36 2.63 -2.92 3.43 0.00 -1.17 -4.92 120.51 115.20 3iaf n ALA 438 Ca 0.02 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.62 3iaf n ALA 438 Cb 0.17 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.66 3iaf n ALA 438 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 439 N 0.80 -0.46 3.70 0.00 0.00 -0.71 -5.01 105.19 103.51 3iaf n GLY 439 Ca 0.11 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3iaf n GLY 439 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iaf s ARG 440 N -5.58 2.16 0.03 1.61 0.52 0.34 -5.01 118.95 113.02 3iaf s ARG 440 Ca 0.26 -1.87 0.06 0.00 -0.52 0.00 0.00 55.73 53.66 3iaf s ARG 440 Cb -0.11 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 3iaf s ARG 440 CO 0.32 -0.06 -0.16 1.03 0.02 0.00 0.00 175.30 176.44 3iaf s ARG 441 N -3.84 2.18 -0.06 3.54 1.81 -0.18 -4.20 118.95 118.20 3iaf s ARG 441 Ca 0.39 -0.92 0.01 0.00 -1.72 0.00 0.00 55.73 53.50 3iaf s ARG 441 Cb 0.04 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.27 3iaf s ARG 441 CO 0.21 0.56 -0.08 0.99 -0.68 0.00 0.00 175.30 176.30 3iaf s THR 442 N -0.91 3.64 -0.13 0.02 2.01 -1.26 -0.16 115.64 118.85 3iaf s THR 442 Ca 0.15 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 3iaf s THR 442 Cb -0.11 -2.48 0.04 0.00 0.01 0.00 0.00 72.50 69.96 3iaf s THR 442 CO 0.05 0.59 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.92 3iaf s ILE 443 N -0.81 0.71 0.02 1.82 1.01 -0.30 -3.00 121.20 120.64 3iaf s ILE 443 Ca 0.12 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 3iaf s ILE 443 Cb -0.11 -0.92 -0.06 0.00 0.01 0.00 0.00 42.46 41.39 3iaf s ILE 443 CO 0.01 0.15 0.61 -0.22 0.00 0.00 0.00 174.94 175.49 3iaf s LEU 444 N 1.82 4.44 -0.33 2.97 2.96 -0.79 -0.88 118.68 128.86 3iaf s LEU 444 Ca 0.03 1.21 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 3iaf s LEU 444 Cb -0.14 -2.95 0.10 0.00 0.50 0.00 0.00 46.19 43.70 3iaf s LEU 444 CO -0.07 0.12 0.07 -0.69 -1.32 0.00 0.00 176.35 174.47 3iaf s VAL 445 N -0.34 1.79 0.27 1.68 1.01 0.86 0.11 120.40 125.78 3iaf s VAL 445 Ca 0.31 -2.04 0.06 0.00 0.00 0.00 0.00 61.98 60.32 3iaf s VAL 445 Cb -0.19 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 3iaf s VAL 445 CO 0.18 -0.63 -0.05 0.28 0.00 0.00 0.00 175.10 174.88 3iaf s THR 446 N 1.13 1.55 0.52 3.92 -1.32 -0.19 -1.58 115.64 119.67 3iaf s THR 446 Ca 0.11 -2.11 -0.06 0.00 -1.21 0.00 0.00 61.69 58.42 3iaf s THR 446 Cb -0.19 -2.45 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 3iaf s THR 446 CO -0.14 -0.30 0.84 -0.83 -2.21 0.00 0.00 174.62 171.99 3iaf s GLY 447 N -3.43 1.54 0.28 6.08 0.00 -1.26 0.41 107.32 110.95 3iaf s GLY 447 Ca 0.29 -0.51 -0.00 0.00 0.00 0.00 0.00 44.72 44.50 3iaf s GLY 447 CO 0.12 -0.31 1.88 1.29 0.00 0.00 0.00 173.10 176.07 3iaf h ASP 448 N 0.06 0.97 -0.05 1.64 2.03 -1.76 -2.11 116.42 117.21 3iaf h ASP 448 Ca -0.46 0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 55.85 3iaf h ASP 448 Cb 1.22 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 39.53 3iaf h ASP 448 CO 0.61 0.59 -0.02 1.23 -1.03 0.00 0.00 179.24 180.62 3iaf h GLY 449 N 1.08 0.10 1.56 7.15 0.00 -1.89 -3.32 103.07 107.75 3iaf h GLY 449 Ca 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 3iaf h GLY 449 CO -0.19 0.08 0.18 1.76 0.00 0.00 0.00 176.54 178.36 3iaf h SER 450 N -0.28 0.52 0.21 0.19 0.02 -1.84 -2.90 113.55 109.47 3iaf h SER 450 Ca 0.01 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 3iaf h SER 450 Cb 0.44 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3iaf h SER 450 CO 0.01 0.46 -0.25 1.62 -1.14 0.00 0.00 176.83 177.53 3iaf h VAL 451 N 0.58 1.20 0.00 2.27 3.04 -1.49 -2.57 116.25 119.27 3iaf h VAL 451 Ca 0.14 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 3iaf h VAL 451 Cb 0.10 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3iaf h VAL 451 CO -0.02 0.27 0.00 0.61 -1.01 0.00 0.00 177.57 177.43 3iaf n GLY 452 N -0.75 -0.85 0.12 3.17 0.00 -1.09 -1.86 105.19 103.93 3iaf n GLY 452 Ca -0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3iaf n GLY 452 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iaf h TYR 453 N 0.00 -0.18 -0.91 1.61 -1.99 -1.62 -3.36 116.97 110.52 3iaf h TYR 453 Ca 0.00 -0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.25 3iaf h TYR 453 Cb 0.17 0.06 -0.42 0.00 2.00 0.00 0.00 36.73 38.54 3iaf h TYR 453 CO 0.00 0.15 -0.90 0.43 -0.00 0.00 0.00 178.16 177.84 3iaf n SER 454 N -5.03 3.81 0.28 3.88 7.64 -1.13 -4.86 113.62 118.21 3iaf n SER 454 Ca -0.09 -3.28 0.16 0.00 1.01 0.00 0.00 58.87 56.67 3iaf n SER 454 Cb 0.21 -0.42 0.76 0.00 -1.01 0.00 0.00 64.21 63.75 3iaf n SER 454 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3iaf h ILE 455 N 3.05 0.26 0.00 0.44 2.10 -1.53 -1.79 117.51 120.03 3iaf h ILE 455 Ca 0.20 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3iaf h ILE 455 Cb 1.29 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.43 3iaf h ILE 455 CO 0.64 0.07 0.00 0.61 -1.08 0.00 0.00 178.15 178.39 3iaf n GLY 456 N -0.36 -0.66 0.00 8.18 0.00 -1.26 -2.68 105.19 108.41 3iaf n GLY 456 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3iaf n GLY 456 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iaf n GLU 457 N -1.39 0.25 0.24 1.61 -0.58 -0.67 -2.30 120.64 117.80 3iaf n GLU 457 Ca 0.03 0.02 0.07 0.00 -0.42 0.00 0.00 57.16 56.86 3iaf n GLU 457 Cb 0.08 -1.50 0.57 0.00 -0.57 0.00 0.00 31.44 30.02 3iaf n GLU 457 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3iaf h PHE 458 N 0.00 0.00 0.11 -0.32 -1.00 -1.74 -1.83 116.94 112.16 3iaf h PHE 458 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3iaf h PHE 458 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 3iaf h PHE 458 CO 0.00 0.13 -0.05 0.22 -1.61 0.00 0.00 178.31 177.00 3iaf h ASP 459 N 0.00 -0.12 -0.81 2.17 3.58 -1.71 -2.74 116.42 116.78 3iaf h ASP 459 Ca -0.00 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 3iaf h ASP 459 Cb 0.25 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 3iaf h ASP 459 CO 0.02 -0.08 0.38 0.74 -2.88 0.00 0.00 179.24 177.42 3iaf h THR 460 N -0.16 1.26 -0.84 2.25 2.02 -1.58 0.12 112.91 115.98 3iaf h THR 460 Ca -0.02 -0.74 0.10 0.00 0.77 0.00 0.00 66.41 66.52 3iaf h THR 460 Cb 0.12 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 66.69 3iaf h THR 460 CO 0.02 0.31 0.48 -0.07 0.37 0.00 0.00 175.52 176.64 3iaf h LEU 461 N 1.16 0.69 -0.03 2.58 4.07 -1.33 -0.39 115.31 122.07 3iaf h LEU 461 Ca 0.28 0.05 -0.13 0.00 0.08 0.00 0.00 57.88 58.15 3iaf h LEU 461 Cb 0.14 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 41.80 3iaf h LEU 461 CO -0.03 0.39 -0.51 0.58 -1.08 0.00 0.00 178.44 177.80 3iaf h VAL 462 N 0.81 1.43 -0.66 1.22 2.07 -1.03 0.28 116.25 120.37 3iaf h VAL 462 Ca 0.40 -1.98 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 3iaf h VAL 462 Cb 0.37 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 3iaf h VAL 462 CO -0.25 0.57 0.15 0.03 0.02 0.00 0.00 177.57 178.10 3iaf h ARG 463 N -0.13 1.05 -0.15 1.57 3.08 -0.58 -2.92 114.38 116.31 3iaf h ARG 463 Ca -0.06 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3iaf h ARG 463 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3iaf h ARG 463 CO 0.10 0.93 0.00 1.63 -1.07 0.00 0.00 179.97 181.57 3iaf n LYS 464 N -4.24 2.34 -3.60 0.04 4.76 -0.17 -4.98 118.16 112.30 3iaf n LYS 464 Ca 0.05 -1.97 -0.23 0.00 -2.87 0.00 0.00 58.31 53.29 3iaf n LYS 464 Cb 0.26 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.01 3iaf n LYS 464 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3iaf n GLN 465 N 1.31 -3.44 -3.47 1.97 6.02 -0.59 -4.98 117.38 114.20 3iaf n GLN 465 Ca 0.16 0.63 -0.40 0.00 -0.01 0.00 0.00 57.00 57.38 3iaf n GLN 465 Cb 0.58 -5.04 -0.10 0.00 1.02 0.00 0.00 30.24 26.70 3iaf n GLN 465 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3iaf s LEU 466 N -6.36 4.38 0.00 1.08 1.43 0.90 -4.97 118.68 115.13 3iaf s LEU 466 Ca 0.22 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3iaf s LEU 466 Cb -0.06 -2.24 -0.20 0.00 0.03 0.00 0.00 46.19 43.72 3iaf s LEU 466 CO 0.81 -0.25 3.05 -0.81 0.23 0.00 0.00 176.35 179.38 3iaf n PRO 467 N 5.23 1.64 -2.77 1.29 -0.05 -1.26 -3.79 135.00 135.29 3iaf n PRO 467 Ca -0.11 -0.75 -0.41 0.00 -0.05 0.00 0.00 63.50 62.18 3iaf n PRO 467 Cb 0.50 -1.81 -0.05 0.00 -0.05 0.00 0.00 33.50 32.09 3iaf n PRO 467 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 3iaf s LEU 468 N 0.00 4.53 -0.52 1.53 2.96 -1.26 -4.69 118.68 121.22 3iaf s LEU 468 Ca 0.50 1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 56.08 3iaf s LEU 468 Cb 0.24 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.52 3iaf s LEU 468 CO 0.00 0.00 0.42 -0.63 -1.32 0.00 0.00 176.35 174.82 3iaf s ILE 469 N -0.30 4.54 -0.36 6.68 1.01 -1.16 -1.39 121.20 130.21 3iaf s ILE 469 Ca 0.44 -1.83 -0.29 0.00 0.00 0.00 0.00 60.65 58.98 3iaf s ILE 469 Cb -0.24 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.30 3iaf s ILE 469 CO 0.29 -0.83 1.09 -0.69 0.00 0.00 0.00 174.94 174.81 3iaf s VAL 470 N 1.26 4.43 -0.21 2.92 1.01 0.51 -1.89 120.40 128.43 3iaf s VAL 470 Ca 0.07 1.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.56 3iaf s VAL 470 Cb -0.26 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 3iaf s VAL 470 CO -0.01 -0.62 0.07 -0.63 0.00 0.00 0.00 175.10 173.91 3iaf s ILE 471 N 3.86 4.64 -0.27 2.22 1.01 0.12 -0.75 121.20 132.02 3iaf s ILE 471 Ca 0.46 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.98 3iaf s ILE 471 Cb -0.11 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.25 3iaf s ILE 471 CO 0.20 0.41 0.03 -0.63 0.00 0.00 0.00 174.94 174.94 3iaf s ILE 472 N 0.83 3.64 -0.91 2.92 1.01 -0.41 -1.02 121.20 127.26 3iaf s ILE 472 Ca 0.04 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 3iaf s ILE 472 Cb -0.14 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.55 3iaf s ILE 472 CO 0.02 0.18 1.41 -0.04 0.00 0.00 0.00 174.94 176.51 3iaf s MET 473 N 1.46 3.40 -0.72 2.79 -1.94 0.17 -0.80 119.30 123.66 3iaf s MET 473 Ca 0.03 -0.75 -0.16 0.00 -1.71 0.00 0.00 55.69 53.10 3iaf s MET 473 Cb -0.16 -4.91 0.16 0.00 2.01 0.00 0.00 34.83 31.93 3iaf s MET 473 CO -0.00 -2.23 0.74 1.21 -0.01 0.00 0.00 175.02 174.73 3iaf s ASN 474 N 4.67 6.48 -0.36 3.03 3.84 0.66 -2.40 114.94 130.86 3iaf s ASN 474 Ca 0.43 -2.11 0.07 0.00 0.21 0.00 0.00 52.86 51.46 3iaf s ASN 474 Cb -0.03 -2.26 0.61 0.00 -0.55 0.00 0.00 41.25 39.02 3iaf s ASN 474 CO -0.00 -0.83 1.71 -0.46 -2.79 0.00 0.00 177.10 174.73 3iaf n ASN 475 N 5.15 3.43 -2.15 -4.21 6.94 -1.26 -1.40 115.26 121.76 3iaf n ASN 475 Ca 0.03 -3.59 -0.19 0.00 -0.02 0.00 0.00 54.58 50.81 3iaf n ASN 475 Cb 0.45 -0.73 -0.03 0.00 -2.36 0.00 0.00 39.78 37.10 3iaf n ASN 475 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iaf n GLN 476 N -0.97 -1.68 -3.60 -3.83 1.13 -1.26 -4.73 117.38 102.45 3iaf n GLN 476 Ca 0.45 0.99 -0.04 0.00 -1.94 0.00 0.00 57.00 56.47 3iaf n GLN 476 Cb 1.36 -5.56 -0.02 0.00 0.11 0.00 0.00 30.24 26.13 3iaf n GLN 476 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3iaf s SER 477 N -2.22 -0.17 -0.98 1.08 1.04 -1.25 -0.88 113.70 110.32 3iaf s SER 477 Ca 0.00 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.12 3iaf s SER 477 Cb 0.00 0.23 -0.07 0.00 0.10 0.00 0.00 66.02 66.27 3iaf s SER 477 CO 0.00 -0.39 1.99 0.26 0.98 0.00 0.00 173.24 176.08 3iaf s TRP 478 N -2.64 1.77 0.00 5.02 0.52 -0.18 -4.40 118.94 119.03 3iaf s TRP 478 Ca 0.10 0.77 0.00 0.00 0.02 0.00 0.00 56.10 56.99 3iaf s TRP 478 Cb 0.00 -3.95 0.00 0.00 -1.15 0.00 0.00 33.47 28.38 3iaf s TRP 478 CO -0.05 -1.52 0.93 0.41 0.02 0.00 0.00 176.95 176.74 3iaf n GLY 479 N 6.51 -2.80 0.30 0.98 0.00 -1.26 -1.56 105.19 107.37 3iaf n GLY 479 Ca 0.42 0.25 -0.00 0.00 0.00 0.00 0.00 46.02 46.69 3iaf n GLY 479 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf h ALA 480 N -1.64 1.09 -0.80 4.61 0.00 -1.90 -1.46 119.26 119.16 3iaf h ALA 480 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iaf h ALA 480 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3iaf h ALA 480 CO 0.00 0.22 0.45 1.79 0.00 0.00 0.00 179.25 181.71 3iaf h THR 481 N 0.90 1.23 -0.84 0.00 1.35 -1.98 -1.59 112.91 111.97 3iaf h THR 481 Ca 0.35 -0.55 -0.04 0.00 -0.55 0.00 0.00 66.41 65.62 3iaf h THR 481 Cb 0.16 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 66.67 3iaf h THR 481 CO -0.17 0.25 0.38 0.25 -0.25 0.00 0.00 175.52 175.98 3iaf h LEU 482 N 1.11 1.12 -0.61 3.87 6.46 -0.24 -1.50 115.31 125.52 3iaf h LEU 482 Ca 0.28 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3iaf h LEU 482 Cb -0.00 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.61 3iaf h LEU 482 CO -0.05 0.95 0.40 0.45 -0.62 0.00 0.00 178.44 179.58 3iaf h HIS 483 N 1.20 0.77 -0.99 1.25 3.86 -0.95 -2.69 115.15 117.59 3iaf h HIS 483 Ca 0.29 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.52 3iaf h HIS 483 Cb 0.15 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 3iaf h HIS 483 CO 0.02 0.48 0.64 0.35 0.86 0.00 0.00 177.93 180.28 3iaf h PHE 484 N 0.83 1.26 0.00 2.45 3.04 -0.75 0.27 116.94 124.03 3iaf h PHE 484 Ca 0.22 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.17 3iaf h PHE 484 Cb -0.09 -0.42 -0.00 0.00 2.56 0.00 0.00 35.95 37.99 3iaf h PHE 484 CO -0.03 0.80 -0.10 1.96 -2.02 0.00 0.00 178.31 178.92 3iaf h GLN 485 N 1.34 0.00 0.00 1.11 4.20 -0.98 -0.04 115.11 120.74 3iaf h GLN 485 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3iaf h GLN 485 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3iaf h GLN 485 CO -0.08 0.10 -0.37 1.04 -0.67 0.00 0.00 178.83 178.86 3iaf n GLN 486 N -3.89 0.32 -0.10 1.46 6.02 -0.78 -2.81 117.38 117.60 3iaf n GLN 486 Ca -0.02 0.44 0.02 0.00 -0.01 0.00 0.00 57.00 57.43 3iaf n GLN 486 Cb 0.20 -1.42 0.34 0.00 1.02 0.00 0.00 30.24 30.38 3iaf n GLN 486 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3iaf h LEU 487 N -0.71 0.65 0.00 1.08 4.07 -0.55 -0.41 115.31 119.44 3iaf h LEU 487 Ca 0.00 -0.02 -0.24 0.00 0.08 0.00 0.00 57.88 57.70 3iaf h LEU 487 Cb 0.37 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 3iaf h LEU 487 CO 0.00 0.48 -1.89 0.00 -1.08 0.00 0.00 178.44 175.95 3iaf n ALA 488 N -2.45 1.81 -0.06 1.53 0.00 -0.03 -4.77 120.51 116.54 3iaf n ALA 488 Ca 0.05 -0.86 -0.12 0.00 0.00 0.00 0.00 53.44 52.51 3iaf n ALA 488 Cb 0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 3iaf n ALA 488 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iaf n VAL 489 N -2.79 1.01 0.00 0.00 0.31 -1.15 -5.04 118.33 110.66 3iaf n VAL 489 Ca -0.19 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3iaf n VAL 489 Cb 0.96 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 3iaf n VAL 489 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iaf n GLY 490 N 2.18 3.53 0.30 2.92 0.00 -0.17 -5.01 105.19 108.94 3iaf n GLY 490 Ca -0.22 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.26 3iaf n GLY 490 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iaf h PRO 491 N 0.00 0.59 -0.91 1.61 0.11 -1.84 -2.79 132.00 128.77 3iaf h PRO 491 Ca 0.00 -0.04 -0.62 0.00 0.11 0.00 0.00 66.00 65.45 3iaf h PRO 491 Cb 0.00 -0.13 -0.32 0.00 0.11 0.00 0.00 31.00 30.66 3iaf h PRO 491 CO 0.00 0.39 0.39 0.27 -0.21 0.00 0.00 178.00 178.84 3iaf n ASN 492 N -4.87 6.60 -1.20 -2.05 0.23 -1.26 -4.60 115.26 108.10 3iaf n ASN 492 Ca 0.16 -3.77 -0.06 0.00 -0.53 0.00 0.00 54.58 50.37 3iaf n ASN 492 Cb 0.40 -0.79 0.17 0.00 -2.08 0.00 0.00 39.78 37.47 3iaf n ASN 492 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3iaf n ARG 493 N -0.88 2.09 -2.78 -3.83 5.12 -1.05 -4.97 116.66 110.35 3iaf n ARG 493 Ca 0.57 -3.40 -0.43 0.00 -1.93 0.00 0.00 57.85 52.66 3iaf n ARG 493 Cb 0.80 -1.86 -0.04 0.00 -1.16 0.00 0.00 32.46 30.21 3iaf n ARG 493 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3iaf s VAL 494 N -3.55 4.21 -0.06 1.55 -7.23 -1.26 -4.82 120.40 109.24 3iaf s VAL 494 Ca 0.45 0.02 0.05 0.00 -1.81 0.00 0.00 61.98 60.68 3iaf s VAL 494 Cb 0.40 -4.69 -0.00 0.00 0.56 0.00 0.00 36.38 32.65 3iaf s VAL 494 CO -0.02 -1.43 -0.20 0.42 -0.31 0.00 0.00 175.10 173.55 3iaf s THR 495 N 4.39 1.71 -0.02 5.32 -4.23 -1.26 -4.80 115.64 116.76 3iaf s THR 495 Ca 0.28 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3iaf s THR 495 Cb -0.14 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3iaf s THR 495 CO 0.14 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 3iaf n GLY 496 N 3.25 0.38 0.00 3.99 0.00 -1.26 -4.84 105.19 106.71 3iaf n GLY 496 Ca -0.19 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.84 3iaf n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iaf n THR 497 N -2.73 0.00 -2.19 2.61 -2.24 -1.26 -4.96 114.28 103.51 3iaf n THR 497 Ca -0.00 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3iaf n THR 497 Cb 0.14 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 3iaf n THR 497 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iaf s ARG 498 N -2.09 4.23 -0.62 -0.78 1.81 -1.26 -1.01 118.95 119.23 3iaf s ARG 498 Ca -0.00 1.98 0.06 0.00 -1.72 0.00 0.00 55.73 56.05 3iaf s ARG 498 Cb 0.05 -3.76 0.24 0.00 -0.45 0.00 0.00 34.95 31.02 3iaf s ARG 498 CO 0.27 -0.71 0.70 1.28 -0.68 0.00 0.00 175.30 176.16 3iaf n LEU 499 N 6.29 3.33 -3.24 2.53 4.77 -0.05 -4.90 117.00 125.72 3iaf n LEU 499 Ca 0.15 -5.34 -0.40 0.00 -0.03 0.00 0.00 56.01 50.39 3iaf n LEU 499 Cb 0.43 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3iaf n LEU 499 CO 0.59 2.02 1.45 -0.62 -1.33 0.00 0.00 177.39 179.50 3iaf n GLU 500 N 1.04 4.01 -3.68 3.23 1.02 -1.22 -3.87 120.64 121.17 3iaf n GLU 500 Ca 0.28 -4.09 -0.13 0.00 -0.02 0.00 0.00 57.16 53.20 3iaf n GLU 500 Cb 0.41 -2.36 -0.07 0.00 -0.02 0.00 0.00 31.44 29.41 3iaf n GLU 500 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3iaf s ASN 501 N -1.29 -0.26 0.00 1.62 2.47 -1.26 -5.16 114.94 111.06 3iaf s ASN 501 Ca 0.46 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.72 3iaf s ASN 501 Cb 0.32 0.41 0.00 0.00 -1.45 0.00 0.00 41.25 40.53 3iaf s ASN 501 CO -0.28 -0.65 0.00 0.61 -3.72 0.00 0.00 177.10 173.06 3iaf n GLY 502 N 0.55 0.26 3.41 1.21 0.00 -1.26 -4.98 105.19 104.38 3iaf n GLY 502 Ca -0.19 -1.28 -0.44 0.00 0.00 0.00 0.00 46.02 44.11 3iaf n GLY 502 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iaf s SER 503 N -0.32 6.16 0.23 1.61 0.15 -1.26 -4.97 113.70 115.30 3iaf s SER 503 Ca 0.00 -1.18 0.01 0.00 0.70 0.00 0.00 55.95 55.48 3iaf s SER 503 Cb 0.00 -2.21 0.22 0.00 -1.71 0.00 0.00 66.02 62.33 3iaf s SER 503 CO 0.00 -0.68 1.56 1.88 1.20 0.00 0.00 173.24 177.20 3iaf h TYR 504 N 8.79 0.48 0.00 3.44 0.05 -1.99 -2.17 116.97 125.57 3iaf h TYR 504 Ca -0.28 -0.17 -0.06 0.00 0.05 0.00 0.00 58.73 58.27 3iaf h TYR 504 Cb 1.11 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 3iaf h TYR 504 CO 0.65 0.84 -0.28 1.12 -1.05 0.00 0.00 178.16 179.45 3iaf h HIS 505 N 0.29 0.00 -0.71 4.88 2.07 -1.92 -2.05 115.15 117.71 3iaf h HIS 505 Ca 0.01 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.46 3iaf h HIS 505 Cb 1.05 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.00 3iaf h HIS 505 CO 0.03 0.28 0.18 0.78 -3.07 0.00 0.00 177.93 176.13 3iaf h GLY 506 N 1.19 1.21 0.80 6.13 0.00 -1.79 -0.33 103.07 110.29 3iaf h GLY 506 Ca -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 3iaf h GLY 506 CO 0.04 0.70 0.01 -2.08 0.00 0.00 0.00 176.54 175.21 3iaf h VAL 507 N 1.06 1.17 -0.72 4.60 2.07 -1.14 -2.52 116.25 120.76 3iaf h VAL 507 Ca 0.22 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3iaf h VAL 507 Cb 0.36 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3iaf h VAL 507 CO 0.00 0.14 0.43 0.00 0.02 0.00 0.00 177.57 178.16 3iaf h ALA 508 N 0.81 1.40 -0.15 1.67 0.00 -1.31 -2.04 119.26 119.64 3iaf h ALA 508 Ca 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3iaf h ALA 508 Cb 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3iaf h ALA 508 CO -0.00 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 3iaf h ALA 509 N 1.48 1.62 -0.26 0.00 0.00 -0.90 0.94 119.26 122.14 3iaf h ALA 509 Ca 0.26 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3iaf h ALA 509 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3iaf h ALA 509 CO -0.05 0.28 -0.54 0.00 0.00 0.00 0.00 179.25 178.95 3iaf h ALA 510 N 1.72 0.41 0.00 0.00 0.00 -0.93 -2.77 119.26 117.70 3iaf h ALA 510 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3iaf h ALA 510 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3iaf h ALA 510 CO 0.01 0.62 0.00 1.19 0.00 0.00 0.00 179.25 181.07 3iaf n PHE 511 N -4.06 0.00 -0.31 0.00 3.72 -1.09 -4.88 117.46 110.84 3iaf n PHE 511 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3iaf n PHE 511 Cb 0.62 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3iaf n PHE 511 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iaf n GLY 512 N 0.72 0.82 3.76 1.37 0.00 -1.01 -4.63 105.19 106.22 3iaf n GLY 512 Ca 0.16 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3iaf n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf s ALA 513 N -2.00 3.50 -0.04 4.61 0.00 0.29 -4.98 121.76 123.15 3iaf s ALA 513 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 3iaf s ALA 513 Cb 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 23.12 21.54 3iaf s ALA 513 CO 0.00 0.68 1.78 -0.51 0.00 0.00 0.00 175.76 177.70 3iaf s ASP 514 N -1.67 6.53 -0.21 0.00 -0.00 -1.17 -2.85 116.67 117.30 3iaf s ASP 514 Ca 0.22 2.33 -0.07 0.00 -0.00 0.00 0.00 52.55 55.03 3iaf s ASP 514 Cb -0.12 -2.53 -0.03 0.00 -0.00 0.00 0.00 42.92 40.24 3iaf s ASP 514 CO 0.13 -1.03 0.05 -0.83 -0.00 0.00 0.00 175.17 173.49 3iaf s GLY 515 N 3.95 1.80 -0.10 0.21 0.00 -1.26 -0.20 107.32 111.72 3iaf s GLY 515 Ca 0.79 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 44.58 3iaf s GLY 515 CO 0.34 0.27 -0.16 -0.19 0.00 0.00 0.00 173.10 173.36 3iaf s TYR 516 N 0.99 2.71 -0.20 1.90 2.02 0.39 -4.99 117.35 120.16 3iaf s TYR 516 Ca 0.03 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 3iaf s TYR 516 Cb -0.14 -1.75 0.01 0.00 -0.40 0.00 0.00 41.96 39.68 3iaf s TYR 516 CO 0.03 -0.14 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.15 3iaf s HIS 517 N 0.03 2.87 0.30 2.71 5.65 -1.26 0.13 115.29 125.72 3iaf s HIS 517 Ca -0.06 -1.39 0.10 0.00 0.25 0.00 0.00 55.06 53.96 3iaf s HIS 517 Cb -0.15 -2.00 -0.06 0.00 -1.18 0.00 0.00 32.58 29.20 3iaf s HIS 517 CO 0.05 -0.71 -0.15 0.14 -0.65 0.00 0.00 174.74 173.42 3iaf s VAL 518 N 1.36 2.28 0.00 0.89 -7.23 -0.12 -4.99 120.40 112.60 3iaf s VAL 518 Ca 0.05 -2.31 0.00 0.00 -1.81 0.00 0.00 61.98 57.91 3iaf s VAL 518 Cb -0.14 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.40 3iaf s VAL 518 CO -0.09 -0.34 0.59 -0.90 -0.31 0.00 0.00 175.10 174.05 3iaf n ASP 519 N -0.65 0.00 -3.99 4.85 3.85 -1.26 -1.09 116.55 118.25 3iaf n ASP 519 Ca -0.05 -1.34 -0.09 0.00 -0.71 0.00 0.00 54.79 52.59 3iaf n ASP 519 Cb 0.61 -0.07 -0.08 0.00 -1.35 0.00 0.00 41.12 40.23 3iaf n ASP 519 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3iaf s SER 520 N -0.34 0.19 0.10 -1.12 1.04 -1.26 -4.58 113.70 107.72 3iaf s SER 520 Ca 0.00 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.23 3iaf s SER 520 Cb 0.00 0.34 -0.11 0.00 0.10 0.00 0.00 66.02 66.36 3iaf s SER 520 CO 0.00 -0.77 1.62 0.58 0.98 0.00 0.00 173.24 175.65 3iaf h VAL 521 N 2.76 0.31 -0.43 5.02 2.07 -1.98 -0.88 116.25 123.13 3iaf h VAL 521 Ca -0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3iaf h VAL 521 Cb 1.20 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3iaf h VAL 521 CO 0.55 0.00 0.22 -0.08 0.02 0.00 0.00 177.57 178.28 3iaf h GLU 522 N -0.62 0.61 -0.43 1.57 4.81 -1.98 0.28 114.58 118.83 3iaf h GLU 522 Ca 0.00 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3iaf h GLU 522 Cb 0.60 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3iaf h GLU 522 CO -0.12 0.51 0.10 0.66 -0.73 0.00 0.00 179.01 179.43 3iaf h SER 523 N 0.55 0.65 -0.21 1.04 4.64 -1.97 -0.43 113.55 117.83 3iaf h SER 523 Ca 0.15 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3iaf h SER 523 Cb 0.10 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3iaf h SER 523 CO -0.02 0.71 0.01 0.15 -0.87 0.00 0.00 176.83 176.81 3iaf h PHE 524 N 0.55 0.39 -0.66 4.77 3.57 -1.02 0.14 116.94 124.69 3iaf h PHE 524 Ca 0.13 -0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.69 3iaf h PHE 524 Cb 0.32 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 38.86 3iaf h PHE 524 CO 0.02 0.54 0.18 1.03 -2.23 0.00 0.00 178.31 177.85 3iaf h SER 525 N 0.13 0.08 -0.33 0.41 0.87 -0.32 0.19 113.55 114.57 3iaf h SER 525 Ca 0.06 0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.58 3iaf h SER 525 Cb 0.38 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3iaf h SER 525 CO 0.01 0.03 -0.40 0.00 -0.53 0.00 0.00 176.83 175.94 3iaf h ALA 526 N 1.51 0.50 -0.46 6.23 0.00 -0.96 -2.31 119.26 123.77 3iaf h ALA 526 Ca 0.35 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iaf h ALA 526 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3iaf h ALA 526 CO -0.42 0.61 0.30 0.00 0.00 0.00 0.00 179.25 179.74 3iaf h ALA 527 N 0.73 0.59 -0.78 0.00 0.00 -0.26 -0.15 119.26 119.39 3iaf h ALA 527 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3iaf h ALA 527 Cb 0.99 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3iaf h ALA 527 CO 0.10 0.04 0.31 1.25 0.00 0.00 0.00 179.25 180.95 3iaf h LEU 528 N 0.63 1.07 -0.97 0.00 5.85 -1.00 -0.20 115.31 120.69 3iaf h LEU 528 Ca 0.17 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3iaf h LEU 528 Cb -0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 3iaf h LEU 528 CO -0.04 0.95 0.22 0.00 -0.34 0.00 0.00 178.44 179.23 3iaf h ALA 529 N 1.16 1.17 -0.30 1.25 0.00 -0.90 -1.03 119.26 120.61 3iaf h ALA 529 Ca 0.26 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3iaf h ALA 529 Cb 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iaf h ALA 529 CO -0.02 0.58 -0.49 1.96 0.00 0.00 0.00 179.25 181.28 3iaf h GLN 530 N 0.94 0.84 0.31 0.00 4.20 -0.62 -2.11 115.11 118.67 3iaf h GLN 530 Ca 0.21 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3iaf h GLN 530 Cb 0.24 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3iaf h GLN 530 CO -0.01 1.13 -0.20 0.00 -0.67 0.00 0.00 178.83 179.08 3iaf h ALA 531 N 0.78 -0.48 -0.78 3.87 0.00 -0.56 -2.10 119.26 119.99 3iaf h ALA 531 Ca 0.03 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3iaf h ALA 531 Cb 1.08 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 3iaf h ALA 531 CO 0.11 -0.78 0.51 -0.07 0.00 0.00 0.00 179.25 179.01 3iaf h LEU 532 N -0.49 0.62 -1.39 0.00 -0.00 -1.25 -2.94 115.31 109.85 3iaf h LEU 532 Ca -0.03 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 3iaf h LEU 532 Cb 0.41 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 3iaf h LEU 532 CO 0.02 0.36 -0.13 0.00 -0.00 0.00 0.00 178.44 178.70 3iaf h ALA 533 N 1.61 1.50 -2.88 1.53 0.00 -0.69 -3.42 119.26 116.92 3iaf h ALA 533 Ca 0.36 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.46 3iaf h ALA 533 Cb 0.48 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3iaf h ALA 533 CO -0.13 0.36 -0.53 -1.01 0.00 0.00 0.00 179.25 177.93 3iaf s HIS 534 N -4.73 3.37 -1.19 0.00 3.76 -1.05 -5.03 115.29 110.41 3iaf s HIS 534 Ca -0.06 0.14 -0.09 0.00 -0.15 0.00 0.00 55.06 54.90 3iaf s HIS 534 Cb 0.15 -1.67 0.22 0.00 1.11 0.00 0.00 32.58 32.39 3iaf s HIS 534 CO 0.73 0.55 1.55 -1.71 -0.85 0.00 0.00 174.74 175.01 3iaf n ASN 535 N 0.06 5.48 -3.68 1.40 5.15 -1.26 -4.92 115.26 117.49 3iaf n ASN 535 Ca -0.07 -3.13 -0.14 0.00 -0.60 0.00 0.00 54.58 50.64 3iaf n ASN 535 Cb 0.52 -1.44 -0.08 0.00 -0.53 0.00 0.00 39.78 38.25 3iaf n ASN 535 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3iaf s ARG 536 N -0.24 0.72 0.40 1.20 0.52 -1.26 -4.88 118.95 115.41 3iaf s ARG 536 Ca 0.37 0.32 -0.27 0.00 -0.52 0.00 0.00 55.73 55.63 3iaf s ARG 536 Cb 0.02 0.34 -0.10 0.00 0.52 0.00 0.00 34.95 35.72 3iaf s ARG 536 CO 0.01 -0.16 1.43 -0.35 0.02 0.00 0.00 175.30 176.24 3iaf n PRO 537 N 1.89 2.41 -3.82 3.54 -0.04 -1.25 -4.59 135.00 133.14 3iaf n PRO 537 Ca -0.17 0.85 -0.12 0.00 -0.04 0.00 0.00 63.50 64.02 3iaf n PRO 537 Cb 0.56 -2.59 -0.12 0.00 -0.04 0.00 0.00 33.50 31.32 3iaf n PRO 537 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iaf s ALA 538 N -1.14 -0.37 -0.15 0.55 0.00 -0.49 -3.02 121.76 117.13 3iaf s ALA 538 Ca 0.56 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 3iaf s ALA 538 Cb -0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3iaf s ALA 538 CO 0.61 -0.08 -0.04 0.00 0.00 0.00 0.00 175.76 176.25 3iaf s ILE 540 N 0.37 2.54 -0.46 0.00 1.01 0.07 -0.46 121.20 124.26 3iaf s ILE 540 Ca -0.04 -2.71 -0.28 0.00 0.00 0.00 0.00 60.65 57.62 3iaf s ILE 540 Cb -0.14 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 3iaf s ILE 540 CO 0.03 -0.69 1.58 0.21 0.00 0.00 0.00 174.94 176.07 3iaf s ASN 541 N 0.53 6.01 -0.34 3.58 3.84 0.35 -1.29 114.94 127.63 3iaf s ASN 541 Ca 0.13 0.73 -0.11 0.00 0.21 0.00 0.00 52.86 53.83 3iaf s ASN 541 Cb -0.22 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 3iaf s ASN 541 CO -0.05 -1.72 0.19 -0.69 -2.79 0.00 0.00 177.10 172.04 3iaf s VAL 542 N 6.51 4.73 -0.21 -5.21 1.01 0.02 -0.94 120.40 126.31 3iaf s VAL 542 Ca 0.65 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 3iaf s VAL 542 Cb -0.15 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 3iaf s VAL 542 CO 0.29 -0.04 1.37 0.00 0.00 0.00 0.00 175.10 176.73 3iaf s ALA 543 N 1.62 3.48 0.10 5.51 0.00 -0.25 -0.24 121.76 131.98 3iaf s ALA 543 Ca 0.04 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.40 3iaf s ALA 543 Cb -0.18 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 3iaf s ALA 543 CO 0.07 -1.55 -0.08 0.54 0.00 0.00 0.00 175.76 174.74 3iaf s VAL 544 N 4.17 0.84 0.43 0.00 0.11 -0.49 -4.63 120.40 120.83 3iaf s VAL 544 Ca 0.60 -1.79 -0.23 0.00 -2.93 0.00 0.00 61.98 57.63 3iaf s VAL 544 Cb -0.21 -1.52 -0.08 0.00 -1.53 0.00 0.00 36.38 33.03 3iaf s VAL 544 CO 0.22 -0.71 1.07 0.00 -3.33 0.00 0.00 175.10 172.35 3iaf s ALA 545 N -3.01 3.02 -0.22 1.54 0.00 0.36 -4.14 121.76 119.30 3iaf s ALA 545 Ca 0.09 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.81 3iaf s ALA 545 Cb 0.01 -3.29 -0.16 0.00 0.00 0.00 0.00 23.12 19.68 3iaf s ALA 545 CO -0.02 -0.33 -0.17 -0.11 0.00 0.00 0.00 175.76 175.13 3iaf n LEU 546 N -0.35 2.62 -0.14 0.00 0.00 -1.26 -4.63 117.00 113.24 3iaf n LEU 546 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 56.01 55.94 3iaf n LEU 546 Cb 0.50 -0.66 0.19 0.00 0.00 0.00 0.00 43.42 43.45 3iaf n LEU 546 CO 0.44 0.84 0.99 -2.24 0.00 0.00 0.00 177.39 177.42 3iaf h ASP 547 N 0.00 0.79 -4.15 1.96 3.04 -1.96 -3.46 116.42 112.65 3iaf h ASP 547 Ca -0.51 -0.14 -0.55 0.00 -3.24 0.00 0.00 57.03 52.59 3iaf h ASP 547 Cb 1.84 -0.21 0.17 0.00 -1.04 0.00 0.00 39.33 40.09 3iaf h ASP 547 CO -0.07 0.77 0.44 -2.16 -2.04 0.00 0.00 179.24 176.18 3iaf s PRO 548 N -5.25 2.18 -0.27 4.15 0.04 -1.26 -5.00 135.00 129.59 3iaf s PRO 548 Ca -0.10 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 3iaf s PRO 548 Cb 0.16 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.91 3iaf s PRO 548 CO 0.80 -1.84 -0.03 0.42 0.04 0.00 0.00 177.00 176.39 3iaf s ILE 549 N -1.72 2.96 0.35 0.56 1.01 -1.26 -5.10 121.20 118.00 3iaf s ILE 549 Ca 0.78 -1.19 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 3iaf s ILE 549 Cb -0.34 -2.60 -0.11 0.00 0.01 0.00 0.00 42.46 39.43 3iaf s ILE 549 CO 0.44 0.05 1.46 -2.16 0.00 0.00 0.00 174.94 174.73 3iaf s PRO 550 N 1.30 4.17 0.45 2.79 0.04 -1.26 -4.93 135.00 137.55 3iaf s PRO 550 Ca -0.02 2.49 0.20 0.00 0.04 0.00 0.00 61.00 63.70 3iaf s PRO 550 Cb -0.18 -3.00 1.16 0.00 0.04 0.00 0.00 34.50 32.51 3iaf s PRO 550 CO -0.03 -0.47 1.89 -1.35 0.04 0.00 0.00 177.00 177.08 3iaf h PRO 551 N 3.37 0.31 -0.64 0.56 0.11 -1.94 -2.09 132.00 131.68 3iaf h PRO 551 Ca -0.50 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3iaf h PRO 551 Cb 1.23 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3iaf h PRO 551 CO 0.67 0.20 0.19 0.93 -0.21 0.00 0.00 178.00 179.78 3iaf h GLU 552 N 0.32 0.97 -0.52 1.05 4.39 -1.91 -2.75 114.58 116.12 3iaf h GLU 552 Ca 0.41 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 3iaf h GLU 552 Cb 1.13 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 3iaf h GLU 552 CO -0.12 0.84 0.32 1.49 -1.16 0.00 0.00 179.01 180.38 3iaf h GLU 553 N 0.94 0.70 -4.17 2.33 4.81 -1.76 -3.17 114.58 114.26 3iaf h GLU 553 Ca 0.21 -0.05 -0.72 0.00 -0.13 0.00 0.00 59.36 58.66 3iaf h GLU 553 Cb 0.28 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.42 3iaf h GLU 553 CO -0.01 0.49 2.58 1.28 -0.73 0.00 0.00 179.01 182.62 3iaf n LEU 554 N -4.43 6.43 0.00 1.64 4.77 -1.04 -5.10 117.00 119.27 3iaf n LEU 554 Ca 0.05 -4.27 0.00 0.00 -0.03 0.00 0.00 56.01 51.76 3iaf n LEU 554 Cb 0.07 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.54 3iaf n LEU 554 CO 0.36 1.03 0.00 -0.38 -1.33 0.00 0.00 177.39 177.07