#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 3.73 0.19 0.00 1.00 -1.26 0.17 119.30 123.13 3iaf s MET 3 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 55.69 55.52 3iaf s MET 3 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 34.83 31.04 3iaf s MET 3 CO 0.00 -0.43 -0.21 0.96 0.00 0.00 0.00 175.02 175.34 3iaf s ILE 4 N 2.03 2.16 0.71 2.53 -4.36 -0.26 -4.89 121.20 119.12 3iaf s ILE 4 Ca 0.12 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.36 3iaf s ILE 4 Cb -0.16 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.53 3iaf s ILE 4 CO 0.11 -0.24 1.09 0.42 0.24 0.00 0.00 174.94 176.57 3iaf s THR 5 N -1.95 3.48 0.36 8.37 -4.23 -1.26 -0.93 115.64 119.47 3iaf s THR 5 Ca 0.20 0.48 0.06 0.00 -1.18 0.00 0.00 61.69 61.26 3iaf s THR 5 Cb -0.07 -3.44 0.17 0.00 1.34 0.00 0.00 72.50 70.50 3iaf s THR 5 CO 0.09 -0.63 1.91 1.23 -0.54 0.00 0.00 174.62 176.68 3iaf h GLY 6 N -0.70 0.45 1.31 3.99 0.00 0.04 -2.60 103.07 105.56 3iaf h GLY 6 Ca -0.45 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 3iaf h GLY 6 CO 0.63 0.24 0.15 -1.33 0.00 0.00 0.00 176.54 176.23 3iaf h GLY 7 N 0.76 0.93 0.98 4.60 0.00 -1.71 -1.06 103.07 107.58 3iaf h GLY 7 Ca 0.09 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3iaf h GLY 7 CO 0.01 0.50 0.26 -2.09 0.00 0.00 0.00 176.54 175.22 3iaf h GLU 8 N 0.84 0.77 -0.95 4.80 4.57 -1.63 -2.00 114.58 120.98 3iaf h GLU 8 Ca 0.19 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3iaf h GLU 8 Cb 0.28 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 3iaf h GLU 8 CO -0.00 0.63 0.63 -0.07 -1.18 0.00 0.00 179.01 179.01 3iaf h LEU 9 N 0.72 1.09 -0.46 1.64 3.38 -1.06 -0.61 115.31 120.00 3iaf h LEU 9 Ca 0.18 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3iaf h LEU 9 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3iaf h LEU 9 CO -0.02 0.78 0.29 0.58 0.09 0.00 0.00 178.44 180.16 3iaf h VAL 10 N 1.28 1.08 -0.19 1.22 2.07 -0.86 -2.36 116.25 118.49 3iaf h VAL 10 Ca 0.35 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.51 3iaf h VAL 10 Cb -0.13 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3iaf h VAL 10 CO -0.08 0.11 -0.53 0.58 0.02 0.00 0.00 177.57 177.66 3iaf h VAL 11 N 0.58 1.31 -0.55 2.57 2.07 -0.71 -1.15 116.25 120.38 3iaf h VAL 11 Ca 0.18 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.90 3iaf h VAL 11 Cb -0.03 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3iaf h VAL 11 CO -0.06 0.55 0.19 0.03 0.02 0.00 0.00 177.57 178.30 3iaf h ARG 12 N 0.40 0.81 -0.41 1.57 3.08 -1.15 0.12 114.38 118.80 3iaf h ARG 12 Ca -0.01 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 3iaf h ARG 12 Cb 1.15 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3iaf h ARG 12 CO 0.12 0.69 -0.21 1.15 -1.07 0.00 0.00 179.97 180.64 3iaf h THR 13 N 0.79 1.28 -0.81 2.04 2.02 -1.29 -1.58 112.91 115.35 3iaf h THR 13 Ca 0.18 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 3iaf h THR 13 Cb 0.20 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3iaf h THR 13 CO -0.01 0.46 0.40 -0.07 0.37 0.00 0.00 175.52 176.67 3iaf h LEU 14 N 0.69 1.06 -0.38 2.58 3.38 -0.71 -2.01 115.31 119.93 3iaf h LEU 14 Ca 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3iaf h LEU 14 Cb 0.78 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3iaf h LEU 14 CO 0.06 0.89 0.10 0.40 0.09 0.00 0.00 178.44 179.99 3iaf h ILE 15 N 1.15 1.22 0.00 1.22 2.04 -0.65 -2.19 117.51 120.30 3iaf h ILE 15 Ca 0.28 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3iaf h ILE 15 Cb 0.11 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3iaf h ILE 15 CO -0.04 0.26 -0.23 0.50 0.00 0.00 0.00 178.15 178.64 3iaf h LYS 16 N 0.46 0.00 0.00 2.37 3.64 -1.11 0.26 116.57 122.19 3iaf h LYS 16 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3iaf h LYS 16 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3iaf h LYS 16 CO -0.00 0.23 0.00 0.00 -2.27 0.00 0.00 179.45 177.41 3iaf n ALA 17 N -2.44 2.02 -2.19 5.00 0.00 -0.77 -4.58 120.51 117.55 3iaf n ALA 17 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 3iaf n ALA 17 Cb 0.30 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3iaf n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 18 N 0.66 0.43 3.81 0.00 0.00 0.93 -5.02 105.19 105.99 3iaf n GLY 18 Ca 0.07 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.34 4.47 -0.01 1.61 -7.23 -0.85 -4.98 120.40 111.06 3iaf s VAL 19 Ca 0.01 1.43 0.01 0.00 -1.81 0.00 0.00 61.98 61.62 3iaf s VAL 19 Cb -0.01 -3.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.04 3iaf s VAL 19 CO 0.02 0.16 0.02 -0.62 -0.31 0.00 0.00 175.10 174.37 3iaf n GLU 20 N 0.60 1.61 -4.06 4.82 1.02 -1.26 -4.62 120.64 118.74 3iaf n GLU 20 Ca -0.01 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.99 3iaf n GLU 20 Cb 0.51 -0.90 -0.13 0.00 -0.02 0.00 0.00 31.44 30.90 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 -1.82 0.41 0.10 -0.32 3.76 -1.26 -3.95 115.29 112.21 3iaf s HIS 21 Ca -0.00 -0.23 0.09 0.00 -0.15 0.00 0.00 55.06 54.77 3iaf s HIS 21 Cb 0.00 -0.26 -0.03 0.00 1.11 0.00 0.00 32.58 33.40 3iaf s HIS 21 CO 0.03 -0.05 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.14 3iaf s LEU 22 N -0.64 2.28 -0.12 0.89 1.02 -0.27 -4.46 118.68 117.38 3iaf s LEU 22 Ca -0.04 -0.67 0.03 0.00 0.02 0.00 0.00 54.13 53.47 3iaf s LEU 22 Cb -0.05 -0.99 0.01 0.00 0.02 0.00 0.00 46.19 45.19 3iaf s LEU 22 CO -0.00 0.11 -0.20 -0.36 0.02 0.00 0.00 176.35 175.91 3iaf s PHE 23 N -1.07 2.40 0.02 0.29 0.08 -0.72 -0.11 117.98 118.87 3iaf s PHE 23 Ca 0.08 -1.13 -0.03 0.00 0.12 0.00 0.00 56.93 55.97 3iaf s PHE 23 Cb -0.10 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.71 3iaf s PHE 23 CO 0.04 -0.51 0.15 0.41 -0.10 0.00 0.00 175.22 175.21 3iaf n GLY 24 N 3.95 1.14 2.85 4.36 0.00 -0.77 -0.44 105.19 116.28 3iaf n GLY 24 Ca -0.20 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 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 1.38 0.35 0.99 1.98 -1.10 -1.38 118.68 120.90 3iaf s LEU 25 Ca 0.03 -0.04 -0.28 0.00 -2.89 0.00 0.00 54.13 50.95 3iaf s LEU 25 Cb -0.00 -0.22 -0.10 0.00 0.66 0.00 0.00 46.19 46.52 3iaf s LEU 25 CO 0.01 -0.06 1.31 -2.28 -1.89 0.00 0.00 176.35 173.43 3iaf s HIS 26 N 0.75 2.97 0.00 5.38 5.65 -1.26 -4.29 115.29 124.49 3iaf s HIS 26 Ca -0.08 1.41 0.00 0.00 0.25 0.00 0.00 55.06 56.64 3iaf s HIS 26 Cb -0.11 -3.69 0.00 0.00 -1.18 0.00 0.00 32.58 27.60 3iaf s HIS 26 CO -0.01 -1.95 0.00 0.41 -0.65 0.00 0.00 174.74 172.54 3iaf n GLY 27 N 0.74 4.76 3.19 1.59 0.00 -1.26 -4.91 105.19 109.30 3iaf n GLY 27 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.26 1.61 8.25 -1.26 -2.60 115.22 120.96 3iaf n HIS 29 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3iaf n HIS 29 Cb 0.00 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.07 1.22 0.09 1.59 -5.35 -1.26 -4.62 119.36 110.96 3iaf n ILE 30 Ca 0.00 -1.31 0.05 0.00 -0.27 0.00 0.00 62.75 61.22 3iaf n ILE 30 Cb 0.00 0.32 0.49 0.00 -1.74 0.00 0.00 39.64 38.71 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 0.01 0.31 -0.39 7.28 3.58 -1.94 0.19 116.42 125.46 3iaf h ASP 31 Ca 0.00 -0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.55 3iaf h ASP 31 Cb 0.62 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 3iaf h ASP 31 CO 0.00 0.24 0.30 0.71 -2.88 0.00 0.00 179.24 177.60 3iaf h THR 32 N 0.37 0.72 0.14 2.25 1.35 -1.90 0.28 112.91 116.12 3iaf h THR 32 Ca 0.10 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.67 3iaf h THR 32 Cb -0.02 0.79 0.02 0.00 -1.73 0.00 0.00 68.15 67.21 3iaf h THR 32 CO -0.02 0.00 -1.27 0.40 -0.25 0.00 0.00 175.52 174.38 3iaf h ILE 33 N 0.00 1.36 -0.40 6.82 2.04 -1.19 -2.66 117.51 123.48 3iaf h ILE 33 Ca 0.18 -2.70 -0.05 0.00 1.00 0.00 0.00 64.86 63.29 3iaf h ILE 33 Cb 0.77 2.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.66 3iaf h ILE 33 CO -0.00 0.81 0.02 -0.26 0.00 0.00 0.00 178.15 178.71 3iaf h PHE 34 N 0.18 0.66 -0.26 1.37 -1.00 -0.87 -1.63 116.94 115.38 3iaf h PHE 34 Ca -0.18 -0.07 -0.14 0.00 2.81 0.00 0.00 57.97 60.39 3iaf h PHE 34 Cb 1.96 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 41.33 3iaf h PHE 34 CO 0.10 0.62 -0.40 1.96 -1.61 0.00 0.00 178.31 178.97 3iaf h GLN 35 N 0.60 0.72 -0.18 1.51 1.08 -0.57 -2.19 115.11 116.08 3iaf h GLN 35 Ca 0.13 -0.44 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 3iaf h GLN 35 Cb 0.35 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3iaf h GLN 35 CO 0.01 1.06 -0.01 0.00 -0.95 0.00 0.00 178.83 178.94 3iaf h ALA 36 N 0.66 0.25 -0.72 3.87 0.00 -1.42 -2.31 119.26 119.59 3iaf h ALA 36 Ca 0.02 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.78 3iaf h ALA 36 Cb 0.99 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 3iaf h ALA 36 CO 0.09 -0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.73 3iaf h LEU 38 N 0.74 0.00 -0.19 0.00 7.12 -1.33 0.13 115.31 121.78 3iaf h LEU 38 Ca 0.33 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 58.11 3iaf h LEU 38 Cb 0.22 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.35 3iaf h LEU 38 CO -0.19 0.24 -0.88 0.44 -0.13 0.00 0.00 178.44 177.91 3iaf h ASP 39 N 0.00 0.67 -0.61 1.25 3.32 -0.65 -3.31 116.42 117.08 3iaf h ASP 39 Ca -0.00 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3iaf h ASP 39 Cb 0.52 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3iaf h ASP 39 CO 0.03 1.28 0.00 1.41 -1.72 0.00 0.00 179.24 180.24 3iaf n HIS 40 N -3.82 0.81 -3.60 4.55 8.25 -0.70 -4.97 115.22 115.75 3iaf n HIS 40 Ca -0.07 -0.41 -0.20 0.00 -0.26 0.00 0.00 57.72 56.78 3iaf n HIS 40 Cb 0.80 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.96 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 1.48 -1.73 -4.17 0.41 10.43 -0.61 -4.99 116.55 117.36 3iaf n ASP 41 Ca 0.22 -0.76 -0.36 0.00 2.57 0.00 0.00 54.79 56.46 3iaf n ASP 41 Cb 0.58 -4.40 -0.12 0.00 1.84 0.00 0.00 41.12 39.01 3iaf n ASP 41 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3iaf s VAL 42 N -3.56 3.31 0.15 2.53 1.01 -0.06 -5.04 120.40 118.73 3iaf s VAL 42 Ca 0.03 -1.61 -0.32 0.00 0.00 0.00 0.00 61.98 60.08 3iaf s VAL 42 Cb -0.01 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.20 3iaf s VAL 42 CO 0.79 -0.38 1.78 -2.65 0.00 0.00 0.00 175.10 174.64 3iaf n PRO 43 N 4.66 2.73 -3.62 2.72 -0.02 -1.25 -4.54 135.00 135.68 3iaf n PRO 43 Ca -0.08 0.99 -0.40 0.00 -2.02 0.00 0.00 63.50 61.98 3iaf n PRO 43 Cb 0.43 -2.86 -0.11 0.00 -0.02 0.00 0.00 33.50 30.94 3iaf n PRO 43 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3iaf s ILE 44 N 2.06 4.46 -0.83 4.25 1.01 -1.26 -1.12 121.20 129.77 3iaf s ILE 44 Ca 0.79 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 3iaf s ILE 44 Cb -0.51 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 3iaf s ILE 44 CO 0.36 -0.24 1.68 -0.63 0.00 0.00 0.00 174.94 176.11 3iaf s ILE 45 N 1.53 3.59 -0.14 2.92 -1.09 0.84 -4.90 121.20 123.95 3iaf s ILE 45 Ca 0.01 -0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 57.95 3iaf s ILE 45 Cb -0.19 -4.42 -0.01 0.00 -1.58 0.00 0.00 42.46 36.26 3iaf s ILE 45 CO 0.06 -1.35 1.08 1.51 -1.23 0.00 0.00 174.94 175.01 3iaf s ASP 46 N 6.51 7.13 0.00 3.58 -4.77 -1.25 -1.84 116.67 126.03 3iaf s ASP 46 Ca 0.57 1.55 0.00 0.00 -3.30 0.00 0.00 52.55 51.37 3iaf s ASP 46 Cb -0.07 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 3iaf s ASP 46 CO 0.05 -0.58 0.00 0.35 0.70 0.00 0.00 175.17 175.69 3iaf n THR 47 N 4.91 0.00 0.36 2.11 -2.24 -0.48 -4.90 114.28 114.04 3iaf n THR 47 Ca 0.11 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.93 3iaf n THR 47 Cb 0.47 -1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.21 3.13 -3.73 -0.78 5.12 -1.26 -4.89 116.66 114.03 3iaf n ARG 48 Ca 0.00 -0.32 -0.13 0.00 -1.93 0.00 0.00 57.85 55.47 3iaf n ARG 48 Cb 0.00 -0.96 -0.10 0.00 -1.16 0.00 0.00 32.46 30.24 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 -1.42 -0.45 0.43 -1.55 2.46 -1.26 -5.02 115.29 108.48 3iaf s HIS 49 Ca 0.05 1.08 0.10 0.00 0.47 0.00 0.00 55.06 56.76 3iaf s HIS 49 Cb 0.06 0.16 0.93 0.00 -0.13 0.00 0.00 32.58 33.60 3iaf s HIS 49 CO 0.25 -0.22 2.03 0.93 -2.47 0.00 0.00 174.74 175.26 3iaf h GLU 50 N 5.69 0.31 -0.79 2.88 3.07 -1.91 -1.71 114.58 122.12 3iaf h GLU 50 Ca -0.28 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.51 3iaf h GLU 50 Cb 1.18 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.99 3iaf h GLU 50 CO 0.26 0.28 0.34 0.00 -1.40 0.00 0.00 179.01 178.49 3iaf h ALA 51 N 1.77 1.03 -0.47 3.43 0.00 -1.88 0.37 119.26 123.51 3iaf h ALA 51 Ca 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3iaf h ALA 51 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3iaf h ALA 51 CO -0.01 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.81 3iaf h ALA 52 N 1.18 1.00 -0.17 0.00 0.00 -1.67 0.26 119.26 119.85 3iaf h ALA 52 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3iaf h ALA 52 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3iaf h ALA 52 CO -0.03 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3iaf h ALA 53 N 1.17 0.23 -0.18 0.00 0.00 -0.89 0.12 119.26 119.71 3iaf h ALA 53 Ca 0.13 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3iaf h ALA 53 Cb 0.55 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3iaf h ALA 53 CO 0.03 -0.06 -0.12 0.78 0.00 0.00 0.00 179.25 179.88 3iaf h GLY 54 N 0.06 0.02 1.60 0.00 0.00 -0.12 -1.92 103.07 102.71 3iaf h GLY 54 Ca 0.05 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 3iaf h GLY 54 CO 0.01 -0.14 -0.17 0.45 0.00 0.00 0.00 176.54 176.69 3iaf h HIS 55 N -0.12 0.52 -0.75 5.60 3.86 -0.41 -2.65 115.15 121.20 3iaf h HIS 55 Ca 0.11 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3iaf h HIS 55 Cb 0.28 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3iaf h HIS 55 CO -0.27 0.63 0.26 0.00 0.86 0.00 0.00 177.93 179.40 3iaf h ALA 56 N 1.39 1.04 -0.90 2.45 0.00 -0.55 0.14 119.26 122.83 3iaf h ALA 56 Ca 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3iaf h ALA 56 Cb 0.55 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3iaf h ALA 56 CO 0.04 0.66 0.59 0.00 0.00 0.00 0.00 179.25 180.53 3iaf h ALA 57 N 1.17 1.17 -0.11 0.00 0.00 -1.01 0.20 119.26 120.68 3iaf h ALA 57 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3iaf h ALA 57 Cb 0.27 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3iaf h ALA 57 CO -0.01 0.47 -0.00 0.93 0.00 0.00 0.00 179.25 180.64 3iaf h GLU 58 N 1.16 0.19 -0.98 0.00 5.08 -1.15 -1.93 114.58 116.95 3iaf h GLU 58 Ca 0.35 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 3iaf h GLU 58 Cb -0.05 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 3iaf h GLU 58 CO -0.10 0.44 0.64 0.78 -1.00 0.00 0.00 179.01 179.78 3iaf h GLY 59 N -0.08 1.43 0.96 -3.84 0.00 -0.34 0.46 103.07 101.67 3iaf h GLY 59 Ca 0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3iaf h GLY 59 CO 0.01 0.41 -0.02 -1.82 0.00 0.00 0.00 176.54 175.12 3iaf h TYR 60 N 1.24 -0.05 -0.57 5.60 5.03 -0.59 -0.65 116.97 126.97 3iaf h TYR 60 Ca 0.39 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.67 3iaf h TYR 60 Cb 0.02 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 3iaf h TYR 60 CO -0.00 0.01 0.24 0.00 -1.32 0.00 0.00 178.16 177.09 3iaf h ALA 61 N 0.87 1.34 0.14 1.82 0.00 -0.42 -1.45 119.26 121.56 3iaf h ALA 61 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 3iaf h ALA 61 Cb 0.08 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.66 3iaf h ALA 61 CO 0.01 0.50 -0.86 0.00 0.00 0.00 0.00 179.25 178.89 3iaf h ARG 62 N 0.81 0.34 -0.03 0.00 3.08 -0.01 -2.29 114.38 116.28 3iaf h ARG 62 Ca 0.20 -0.55 -0.15 0.00 0.07 0.00 0.00 59.98 59.54 3iaf h ARG 62 Cb 0.15 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3iaf h ARG 62 CO -0.02 1.25 -0.68 0.00 -1.07 0.00 0.00 179.97 179.46 3iaf h ALA 63 N 0.11 0.80 -0.33 0.04 0.00 -1.11 -3.31 119.26 115.47 3iaf h ALA 63 Ca -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3iaf h ALA 63 Cb 1.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3iaf h ALA 63 CO 0.16 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.62 3iaf n GLY 64 N 0.42 1.69 3.94 0.00 0.00 -0.55 -4.94 105.19 105.74 3iaf n GLY 64 Ca -0.02 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 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 1.03 -2.49 -3.00 4.61 0.00 -0.89 -4.95 120.51 114.81 3iaf n ALA 65 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3iaf n ALA 65 Cb 0.48 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 16.98 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 -4.65 0.00 -2.77 0.00 2.85 -1.03 -4.96 118.16 107.61 3iaf n LYS 66 Ca -0.14 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.72 3iaf n LYS 66 Cb 0.59 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.92 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 4.63 -0.10 -5.58 2.96 -1.26 -4.48 118.68 114.84 3iaf s LEU 67 Ca 0.00 1.91 -0.00 0.00 -0.22 0.00 0.00 54.13 55.81 3iaf s LEU 67 Cb 0.00 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 3iaf s LEU 67 CO 0.00 0.14 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.26 3iaf s GLY 68 N -1.03 1.66 -0.15 7.98 0.00 -0.75 -4.63 107.32 110.40 3iaf s GLY 68 Ca 0.41 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3iaf s GLY 68 CO 0.31 -0.44 -0.15 0.14 0.00 0.00 0.00 173.10 172.97 3iaf s VAL 69 N -0.31 2.73 -0.10 1.40 1.01 -1.26 -0.25 120.40 123.62 3iaf s VAL 69 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3iaf s VAL 69 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3iaf s VAL 69 CO 0.02 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.50 3iaf s ALA 70 N 0.78 2.63 -0.27 5.51 0.00 0.65 -1.76 121.76 129.31 3iaf s ALA 70 Ca -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3iaf s ALA 70 Cb -0.15 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 21.90 3iaf s ALA 70 CO 0.01 0.36 -0.08 -1.17 0.00 0.00 0.00 175.76 174.88 3iaf s LEU 71 N -0.04 3.52 0.13 0.00 2.96 0.42 -0.18 118.68 125.48 3iaf s LEU 71 Ca -0.03 -1.32 0.08 0.00 -0.22 0.00 0.00 54.13 52.64 3iaf s LEU 71 Cb -0.14 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3iaf s LEU 71 CO 0.04 -0.20 -0.19 0.68 -1.32 0.00 0.00 176.35 175.36 3iaf s VAL 72 N 1.16 1.69 0.88 1.68 -7.23 -0.21 -2.70 120.40 115.66 3iaf s VAL 72 Ca -0.07 -1.68 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 3iaf s VAL 72 Cb -0.20 -1.64 0.18 0.00 0.56 0.00 0.00 36.38 35.29 3iaf s VAL 72 CO -0.04 -0.19 1.20 0.28 -0.31 0.00 0.00 175.10 176.04 3iaf s THR 73 N -1.57 2.02 0.73 5.32 -1.32 -1.26 -1.45 115.64 118.12 3iaf s THR 73 Ca 0.10 -0.27 -0.14 0.00 -1.21 0.00 0.00 61.69 60.17 3iaf s THR 73 Cb -0.08 -2.76 0.04 0.00 -1.51 0.00 0.00 72.50 68.20 3iaf s THR 73 CO 0.05 0.00 1.16 0.00 -2.21 0.00 0.00 174.62 173.62 3iaf s ALA 74 N -3.60 2.15 0.00 11.08 0.00 -1.23 -1.85 121.76 128.31 3iaf s ALA 74 Ca 0.72 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3iaf s ALA 74 Cb -0.04 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3iaf s ALA 74 CO 0.50 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.87 3iaf n GLY 75 N -0.02 1.25 0.33 0.00 0.00 -1.22 -2.64 105.19 102.89 3iaf n GLY 75 Ca 0.12 0.28 0.03 0.00 0.00 0.00 0.00 46.02 46.46 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 1.40 0.50 -0.02 0.00 -1.89 -1.68 103.07 101.38 3iaf h GLY 76 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.03 3iaf h GLY 76 CO 0.00 0.19 0.19 -1.33 0.00 0.00 0.00 176.54 175.59 3iaf h GLY 77 N 0.93 0.71 0.60 4.60 0.00 -1.58 -0.86 103.07 107.46 3iaf h GLY 77 Ca 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 3iaf h GLY 77 CO -0.23 0.01 -0.02 -2.75 0.00 0.00 0.00 176.54 173.55 3iaf h PHE 78 N 0.37 -0.04 -0.39 5.60 3.57 -0.78 -3.16 116.94 122.11 3iaf h PHE 78 Ca 0.25 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.79 3iaf h PHE 78 Cb 0.28 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3iaf h PHE 78 CO -0.16 0.35 0.26 1.79 -2.23 0.00 0.00 178.31 178.32 3iaf h THR 79 N -0.45 1.01 0.00 4.41 1.35 -1.15 0.79 112.91 118.88 3iaf h THR 79 Ca -0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3iaf h THR 79 Cb 0.41 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3iaf h THR 79 CO 0.01 0.07 0.00 0.78 -0.25 0.00 0.00 175.52 176.13 3iaf h ASN 80 N 0.37 0.00 -0.02 5.36 2.35 -1.20 -3.00 115.58 119.44 3iaf h ASN 80 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3iaf h ASN 80 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3iaf h ASN 80 CO -0.04 0.00 -0.00 0.00 -1.65 0.00 0.00 177.43 175.74 3iaf n ALA 81 N -1.90 2.52 -0.06 -0.83 0.00 0.26 -2.76 120.51 117.74 3iaf n ALA 81 Ca 0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 3iaf n ALA 81 Cb 0.32 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 3.66 1.07 0.04 0.00 2.07 -1.39 -1.92 116.25 119.77 3iaf h VAL 82 Ca 0.00 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3iaf h VAL 82 Cb 0.78 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3iaf h VAL 82 CO 0.00 0.06 -0.08 0.74 0.02 0.00 0.00 177.57 178.32 3iaf h THR 83 N 0.33 0.82 -0.66 2.57 2.02 -1.82 0.33 112.91 116.49 3iaf h THR 83 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 3iaf h THR 83 Cb -0.03 0.82 -0.12 0.00 -1.74 0.00 0.00 68.15 67.08 3iaf h THR 83 CO -0.02 0.00 -0.04 -0.65 0.37 0.00 0.00 175.52 175.18 3iaf h PRO 84 N -0.15 0.08 -0.13 6.66 0.11 -1.84 0.29 132.00 137.01 3iaf h PRO 84 Ca 0.02 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.14 3iaf h PRO 84 Cb 0.17 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3iaf h PRO 84 CO -0.05 0.05 -0.00 0.82 -0.21 0.00 0.00 178.00 178.61 3iaf h ILE 85 N 0.08 0.91 -0.63 4.15 2.04 -0.47 0.16 117.51 123.74 3iaf h ILE 85 Ca 0.34 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.21 3iaf h ILE 85 Cb 0.57 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3iaf h ILE 85 CO -0.60 0.01 0.42 0.00 0.00 0.00 0.00 178.15 177.97 3iaf h ALA 86 N 1.11 1.59 -0.02 1.87 0.00 0.18 -1.26 119.26 122.74 3iaf h ALA 86 Ca 0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3iaf h ALA 86 Cb 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iaf h ALA 86 CO -0.11 0.37 -0.29 -0.97 0.00 0.00 0.00 179.25 178.25 3iaf h ASN 87 N 0.82 0.28 -0.21 0.00 -1.24 0.42 -3.02 115.58 112.64 3iaf h ASN 87 Ca 0.24 -0.73 0.04 0.00 0.71 0.00 0.00 56.30 56.56 3iaf h ASN 87 Cb -0.04 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3iaf h ASN 87 CO -0.06 0.98 0.14 0.00 -1.29 0.00 0.00 177.43 177.20 3iaf h ALA 88 N 0.31 2.06 0.69 1.57 0.00 -0.61 -1.00 119.26 122.28 3iaf h ALA 88 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3iaf h ALA 88 Cb 1.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3iaf h ALA 88 CO 0.06 -0.10 -0.49 2.35 0.00 0.00 0.00 179.25 181.07 3iaf h TRP 89 N 0.11 -1.33 -0.00 0.00 2.91 -1.16 -1.78 115.95 114.71 3iaf h TRP 89 Ca 0.09 -0.01 -0.16 0.00 1.13 0.00 0.00 58.89 59.95 3iaf h TRP 89 Cb 0.23 0.49 -0.02 0.00 -0.51 0.00 0.00 29.16 29.35 3iaf h TRP 89 CO -0.00 -0.70 -0.76 -0.07 -1.03 0.00 0.00 178.44 175.88 3iaf h LEU 90 N -1.13 0.02 -0.32 0.65 3.38 -1.37 -3.03 115.31 113.52 3iaf h LEU 90 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3iaf h LEU 90 Cb 0.92 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3iaf h LEU 90 CO 0.05 0.77 0.00 0.47 0.09 0.00 0.00 178.44 179.82 3iaf n ASP 91 N -3.65 0.50 -3.59 -0.43 9.92 -0.40 -4.67 116.55 114.23 3iaf n ASP 91 Ca -0.01 -1.23 -0.24 0.00 -0.53 0.00 0.00 54.79 52.77 3iaf n ASP 91 Cb 0.73 -0.01 0.05 0.00 -0.64 0.00 0.00 41.12 41.25 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 -0.58 -2.61 -5.12 -1.24 1.74 -0.83 -4.95 116.66 103.08 3iaf n ARG 92 Ca 0.21 0.60 -0.32 0.00 -0.77 0.00 0.00 57.85 57.57 3iaf n ARG 92 Cb 0.18 -4.85 -0.16 0.00 -1.02 0.00 0.00 32.46 26.61 3iaf n ARG 92 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3iaf s THR 93 N -3.52 2.36 -0.56 0.55 2.01 -0.73 -4.49 115.64 111.25 3iaf s THR 93 Ca 0.32 -0.94 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 3iaf s THR 93 Cb -0.09 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.55 3iaf s THR 93 CO 0.82 0.56 1.07 -2.16 -0.69 0.00 0.00 174.62 174.22 3iaf s PRO 94 N 0.03 3.44 -0.07 4.92 0.04 -1.26 -3.04 135.00 139.05 3iaf s PRO 94 Ca -0.08 0.02 -0.01 0.00 0.04 0.00 0.00 61.00 60.98 3iaf s PRO 94 Cb -0.15 -4.03 0.03 0.00 0.04 0.00 0.00 34.50 30.39 3iaf s PRO 94 CO 0.05 -1.58 -0.03 0.08 0.04 0.00 0.00 177.00 175.57 3iaf s VAL 95 N 4.47 0.55 -0.27 -0.36 1.01 -1.22 -1.81 120.40 122.77 3iaf s VAL 95 Ca 0.37 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 3iaf s VAL 95 Cb -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3iaf s VAL 95 CO 0.23 0.27 0.88 -0.22 0.00 0.00 0.00 175.10 176.26 3iaf s LEU 96 N 1.65 4.06 -0.46 3.92 2.96 0.65 -1.20 118.68 130.26 3iaf s LEU 96 Ca 0.01 0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 54.75 3iaf s LEU 96 Cb -0.13 -3.25 0.08 0.00 0.50 0.00 0.00 46.19 43.39 3iaf s LEU 96 CO -0.04 -0.62 0.36 -0.36 -1.32 0.00 0.00 176.35 174.37 3iaf s PHE 97 N 3.05 3.28 -0.19 5.38 0.08 0.98 -0.25 117.98 130.30 3iaf s PHE 97 Ca 0.37 -1.19 -0.21 0.00 0.12 0.00 0.00 56.93 56.01 3iaf s PHE 97 Cb -0.14 -3.18 -0.02 0.00 -0.57 0.00 0.00 43.02 39.10 3iaf s PHE 97 CO 0.10 -0.84 0.64 -0.51 -0.10 0.00 0.00 175.22 174.50 3iaf s LEU 98 N 1.56 4.15 0.02 -0.37 1.43 0.75 -1.27 118.68 124.95 3iaf s LEU 98 Ca 0.04 0.86 0.06 0.00 -1.03 0.00 0.00 54.13 54.06 3iaf s LEU 98 Cb -0.25 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 3iaf s LEU 98 CO 0.05 -0.27 -0.19 0.28 0.23 0.00 0.00 176.35 176.44 3iaf s THR 99 N 1.89 1.51 0.77 5.49 -1.32 -0.85 -1.05 115.64 122.08 3iaf s THR 99 Ca 0.29 -1.00 -0.12 0.00 -1.21 0.00 0.00 61.69 59.66 3iaf s THR 99 Cb -0.16 -1.29 0.05 0.00 -1.51 0.00 0.00 72.50 69.60 3iaf s THR 99 CO 0.11 0.27 1.13 -0.83 -2.21 0.00 0.00 174.62 173.09 3iaf s GLY 100 N -0.85 1.61 0.31 6.08 0.00 -0.53 -0.10 107.32 113.84 3iaf s GLY 100 Ca 0.07 -0.47 -0.19 0.00 0.00 0.00 0.00 44.72 44.12 3iaf s GLY 100 CO 0.01 -0.04 0.79 -1.35 0.00 0.00 0.00 173.10 172.51 3iaf s SER 101 N -4.39 -0.13 0.46 1.64 1.04 -1.18 -3.54 113.70 107.60 3iaf s SER 101 Ca 0.60 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.98 3iaf s SER 101 Cb -0.12 0.75 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 3iaf s SER 101 CO 0.51 -1.43 1.08 0.61 0.98 0.00 0.00 173.24 174.98 3iaf n GLY 102 N -0.50 -0.01 3.74 7.32 0.00 -1.26 -1.44 105.19 113.04 3iaf n GLY 102 Ca -0.06 0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.31 2.60 0.02 4.61 0.00 -1.26 -4.11 121.76 122.31 3iaf s ALA 103 Ca 0.66 1.25 -0.22 0.00 0.00 0.00 0.00 51.96 53.65 3iaf s ALA 103 Cb -0.51 -3.55 -0.17 0.00 0.00 0.00 0.00 23.12 18.90 3iaf s ALA 103 CO 0.55 -1.44 1.28 -0.07 0.00 0.00 0.00 175.76 176.08 3iaf h LEU 104 N 1.02 0.32 -9.99 0.00 3.38 -1.91 -3.25 115.31 104.87 3iaf h LEU 104 Ca -0.51 -0.53 -0.55 0.00 0.09 0.00 0.00 57.88 56.38 3iaf h LEU 104 Cb 1.32 -0.09 0.14 0.00 0.09 0.00 0.00 40.66 42.11 3iaf h LEU 104 CO 0.55 0.79 0.58 -2.11 0.09 0.00 0.00 178.44 178.35 3iaf n ARG 105 N -4.57 1.79 -2.16 1.13 1.85 -1.26 -1.94 116.66 111.50 3iaf n ARG 105 Ca -0.07 0.65 -0.19 0.00 -1.00 0.00 0.00 57.85 57.24 3iaf n ARG 105 Cb 0.38 -2.54 -0.03 0.00 -1.05 0.00 0.00 32.46 29.22 3iaf n ARG 105 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3iaf n ASP 106 N -0.68 -5.51 -4.77 2.89 5.68 -1.26 -4.99 116.55 107.91 3iaf n ASP 106 Ca 0.09 0.11 -0.40 0.00 -0.50 0.00 0.00 54.79 54.10 3iaf n ASP 106 Cb 0.43 -4.59 0.00 0.00 -1.14 0.00 0.00 41.12 35.82 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 -2.30 6.22 -1.27 -1.12 2.15 -0.82 -3.58 116.67 115.96 3iaf s ASP 107 Ca 0.00 2.74 -0.08 0.00 0.43 0.00 0.00 52.55 55.64 3iaf s ASP 107 Cb 0.00 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.99 3iaf s ASP 107 CO 0.00 -0.92 1.09 -0.62 -0.17 0.00 0.00 175.17 174.55 3iaf n GLU 108 N 0.09 -7.37 -0.25 4.34 -0.58 -1.26 -4.92 120.64 110.68 3iaf n GLU 108 Ca 0.04 0.77 0.07 0.00 -0.42 0.00 0.00 57.16 57.62 3iaf n GLU 108 Cb 0.43 -5.64 0.18 0.00 -0.57 0.00 0.00 31.44 25.83 3iaf n GLU 108 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3iaf n THR 109 N -4.83 1.74 -2.12 2.62 -2.24 -1.23 -4.96 114.28 103.26 3iaf n THR 109 Ca 0.01 -1.63 -0.06 0.00 -2.27 0.00 0.00 64.05 60.09 3iaf n THR 109 Cb 0.56 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.44 -2.29 -4.89 3.42 3.02 -1.26 -4.93 115.26 107.90 3iaf n ASN 110 Ca 0.15 0.29 -0.29 0.00 -0.03 0.00 0.00 54.58 54.70 3iaf n ASN 110 Cb 0.65 -2.11 0.09 0.00 -0.61 0.00 0.00 39.78 37.80 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 -2.11 2.18 0.04 3.41 -1.32 -1.26 -4.97 115.64 111.62 3iaf s THR 111 Ca 0.00 0.06 -0.35 0.00 -1.21 0.00 0.00 61.69 60.19 3iaf s THR 111 Cb 0.00 -3.03 -0.14 0.00 -1.51 0.00 0.00 72.50 67.82 3iaf s THR 111 CO 0.00 -0.08 1.66 -0.11 -2.21 0.00 0.00 174.62 173.89 3iaf n LEU 112 N -3.32 3.00 -1.79 9.08 7.94 -1.26 -2.95 117.00 127.70 3iaf n LEU 112 Ca 0.08 1.05 -0.20 0.00 -1.11 0.00 0.00 56.01 55.82 3iaf n LEU 112 Cb 0.60 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.12 3iaf n LEU 112 CO 0.57 -0.30 -0.21 0.00 -1.11 0.00 0.00 177.39 176.33 3iaf n GLN 113 N 4.52 -1.51 -0.05 1.96 6.02 -1.26 -4.86 117.38 122.20 3iaf n GLN 113 Ca 0.20 1.15 -0.02 0.00 -0.01 0.00 0.00 57.00 58.32 3iaf n GLN 113 Cb 0.27 -5.60 -0.12 0.00 1.02 0.00 0.00 30.24 25.80 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 0.50 1.95 -0.20 -1.58 0.00 -1.15 -3.37 120.51 116.65 3iaf n ALA 114 Ca -0.21 -0.79 0.02 0.00 0.00 0.00 0.00 53.44 52.45 3iaf n ALA 114 Cb 0.67 -0.22 0.23 0.00 0.00 0.00 0.00 19.45 20.13 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 1.92 2.57 3.35 0.00 0.00 -1.26 -4.41 105.19 107.36 3iaf n GLY 115 Ca -0.17 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.09 3.10 -1.03 -0.61 -4.36 -1.26 -5.03 121.20 109.91 3iaf s ILE 116 Ca 0.34 -0.63 -0.23 0.00 -0.26 0.00 0.00 60.65 59.86 3iaf s ILE 116 Cb 0.26 -2.32 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 3iaf s ILE 116 CO 0.09 0.51 1.89 -0.62 0.24 0.00 0.00 174.94 177.05 3iaf s ASP 117 N 0.60 5.31 0.24 4.36 -1.08 -1.26 -4.78 116.67 120.07 3iaf s ASP 117 Ca -0.07 -1.19 -0.03 0.00 -0.52 0.00 0.00 52.55 50.75 3iaf s ASP 117 Cb -0.15 -2.57 0.28 0.00 -1.46 0.00 0.00 42.92 39.02 3iaf s ASP 117 CO 0.03 -2.67 1.73 1.56 0.52 0.00 0.00 175.17 176.34 3iaf h GLN 118 N 10.41 0.82 -0.57 4.34 4.20 -1.96 -2.33 115.11 130.03 3iaf h GLN 118 Ca 0.17 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 3iaf h GLN 118 Cb 0.97 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 3iaf h GLN 118 CO 1.25 0.85 0.02 0.28 -0.67 0.00 0.00 178.83 180.56 3iaf h VAL 119 N 0.76 1.26 -0.78 -0.54 2.07 -1.96 -1.56 116.25 115.50 3iaf h VAL 119 Ca 0.14 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3iaf h VAL 119 Cb 0.51 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3iaf h VAL 119 CO 0.03 0.39 0.47 0.00 0.02 0.00 0.00 177.57 178.48 3iaf h ALA 120 N 0.97 1.35 -0.27 1.67 0.00 -1.89 -0.25 119.26 120.84 3iaf h ALA 120 Ca 0.16 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3iaf h ALA 120 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3iaf h ALA 120 CO 0.02 0.56 -0.21 0.52 0.00 0.00 0.00 179.25 180.14 3iaf h MET 121 N 1.08 0.62 0.00 0.00 2.07 -1.11 -3.18 114.93 114.41 3iaf h MET 121 Ca 0.28 -0.30 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 3iaf h MET 121 Cb -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.69 3iaf h MET 121 CO -0.05 0.90 0.00 0.00 1.07 0.00 0.00 176.91 178.83 3iaf h ALA 122 N 0.71 1.00 -0.64 6.32 0.00 -1.15 -3.36 119.26 122.13 3iaf h ALA 122 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3iaf h ALA 122 Cb 0.75 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 3iaf h ALA 122 CO 0.05 0.00 0.15 0.00 0.00 0.00 0.00 179.25 179.46 3iaf h ALA 123 N 2.02 0.79 0.00 0.00 0.00 -1.01 -1.32 119.26 119.74 3iaf h ALA 123 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iaf h ALA 123 Cb 0.82 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3iaf h ALA 123 CO 0.00 -0.30 0.00 -1.35 0.00 0.00 0.00 179.25 177.60 3iaf h PRO 124 N 0.28 0.00 0.00 0.00 0.11 -1.76 -3.30 132.00 127.33 3iaf h PRO 124 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3iaf h PRO 124 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3iaf h PRO 124 CO -0.43 0.00 -0.17 0.44 -0.21 0.00 0.00 178.00 177.63 3iaf n ILE 125 N -2.63 1.23 -4.22 4.15 -5.35 -0.55 -5.03 119.36 106.96 3iaf n ILE 125 Ca 0.00 -1.47 -0.20 0.00 -0.27 0.00 0.00 62.75 60.82 3iaf n ILE 125 Cb 0.20 0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.01 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 -1.86 1.34 0.23 7.28 -4.23 -0.88 -4.49 115.64 113.02 3iaf s THR 126 Ca 0.21 -1.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.14 3iaf s THR 126 Cb 0.18 -1.35 0.17 0.00 1.34 0.00 0.00 72.50 72.84 3iaf s THR 126 CO 0.02 -0.25 1.80 0.11 -0.54 0.00 0.00 174.62 175.77 3iaf h LYS 127 N 3.97 1.15 -2.87 3.99 1.57 -1.57 -3.44 116.57 119.37 3iaf h LYS 127 Ca -0.42 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.03 3iaf h LYS 127 Cb 1.19 -0.19 -0.25 0.00 0.08 0.00 0.00 32.23 33.06 3iaf h LYS 127 CO 0.44 0.92 -0.31 -0.46 -0.57 0.00 0.00 179.45 179.47 3iaf s TRP 128 N -5.55 -0.40 -0.06 -1.35 -0.00 -1.26 -5.09 118.94 105.23 3iaf s TRP 128 Ca -0.12 0.97 -0.00 0.00 -0.00 0.00 0.00 56.10 56.94 3iaf s TRP 128 Cb 0.16 0.14 0.03 0.00 -0.00 0.00 0.00 33.47 33.79 3iaf s TRP 128 CO 0.83 -0.20 -0.02 0.00 -0.00 0.00 0.00 176.95 177.57 3iaf s ALA 129 N 0.28 0.70 -0.01 5.86 0.00 -1.26 -1.76 121.76 125.57 3iaf s ALA 129 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 3iaf s ALA 129 Cb -0.03 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.49 3iaf s ALA 129 CO -0.00 -0.28 0.26 -1.58 0.00 0.00 0.00 175.76 174.15 3iaf s HIS 130 N 1.54 -0.12 -0.22 0.00 5.04 -0.49 -4.99 115.29 116.07 3iaf s HIS 130 Ca -0.01 0.15 -0.04 0.00 -1.54 0.00 0.00 55.06 53.62 3iaf s HIS 130 Cb -0.13 0.06 -0.01 0.00 0.04 0.00 0.00 32.58 32.54 3iaf s HIS 130 CO -0.03 -0.36 -0.05 0.50 -2.34 0.00 0.00 174.74 172.46 3iaf s ARG 131 N -1.34 3.38 0.18 2.88 3.52 -1.26 -0.58 118.95 125.73 3iaf s ARG 131 Ca -0.14 -0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 54.53 3iaf s ARG 131 Cb -0.06 -2.99 -0.09 0.00 -1.56 0.00 0.00 34.95 30.25 3iaf s ARG 131 CO 0.03 -0.18 1.36 0.08 -0.81 0.00 0.00 175.30 175.79 3iaf s VAL 132 N 1.42 3.12 -0.19 7.11 1.01 -0.61 -4.95 120.40 127.31 3iaf s VAL 132 Ca 0.05 0.88 0.13 0.00 0.00 0.00 0.00 61.98 63.05 3iaf s VAL 132 Cb -0.14 -3.57 -0.19 0.00 0.00 0.00 0.00 36.38 32.48 3iaf s VAL 132 CO -0.03 0.11 0.37 0.23 0.00 0.00 0.00 175.10 175.79 3iaf n MET 133 N 2.97 1.05 -3.89 2.72 0.00 -1.26 -4.60 117.12 114.12 3iaf n MET 133 Ca 0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 57.70 57.58 3iaf n MET 133 Cb 0.42 -1.26 -0.12 0.00 0.00 0.00 0.00 33.22 32.26 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 -2.74 -0.15 0.28 3.04 0.00 -1.26 -5.05 121.76 115.89 3iaf s ALA 134 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3iaf s ALA 134 Cb 0.09 0.02 0.41 0.00 0.00 0.00 0.00 23.12 23.64 3iaf s ALA 134 CO 0.56 -0.12 1.75 1.15 0.00 0.00 0.00 175.76 179.09 3iaf h THR 135 N 4.69 1.25 0.00 0.00 2.02 -1.94 -2.50 112.91 116.42 3iaf h THR 135 Ca -0.29 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 3iaf h THR 135 Cb 1.20 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3iaf h THR 135 CO 0.43 0.37 -0.08 -0.33 0.37 0.00 0.00 175.52 176.28 3iaf h GLU 136 N 0.54 0.00 0.00 6.66 3.07 -1.97 -2.37 114.58 120.51 3iaf h GLU 136 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3iaf h GLU 136 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3iaf h GLU 136 CO 0.04 0.08 0.00 0.72 -1.40 0.00 0.00 179.01 178.45 3iaf n HIS 137 N -3.87 0.84 0.11 4.33 8.25 -0.94 -4.32 115.22 119.63 3iaf n HIS 137 Ca -0.02 0.29 -0.14 0.00 -0.26 0.00 0.00 57.72 57.59 3iaf n HIS 137 Cb 0.18 -0.96 -0.07 0.00 1.12 0.00 0.00 29.99 30.26 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 0.23 -0.31 1.59 2.04 -1.53 -1.16 117.51 118.38 3iaf h ILE 138 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3iaf h ILE 138 Cb 0.54 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 3iaf h ILE 138 CO 0.00 0.00 0.01 -0.65 0.00 0.00 0.00 178.15 177.51 3iaf h PRO 139 N -0.60 0.10 -0.58 2.37 0.11 -1.83 0.31 132.00 131.89 3iaf h PRO 139 Ca 0.03 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 3iaf h PRO 139 Cb 0.63 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 3iaf h PRO 139 CO -0.22 0.07 0.11 0.07 -0.21 0.00 0.00 178.00 177.82 3iaf h ARG 140 N 0.10 0.91 -0.13 1.05 0.11 -1.80 -1.87 114.38 112.76 3iaf h ARG 140 Ca 0.15 -0.21 -0.20 0.00 0.10 0.00 0.00 59.98 59.82 3iaf h ARG 140 Cb 0.19 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.15 3iaf h ARG 140 CO -0.24 0.83 -0.73 -0.07 0.10 0.00 0.00 179.97 179.87 3iaf h LEU 141 N 0.87 0.73 -0.15 0.08 3.38 -0.73 -0.99 115.31 118.49 3iaf h LEU 141 Ca 0.18 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3iaf h LEU 141 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3iaf h LEU 141 CO 0.00 1.23 0.07 0.58 0.09 0.00 0.00 178.44 180.42 3iaf h VAL 142 N 0.43 1.12 -0.24 1.22 2.07 -0.30 -2.05 116.25 118.50 3iaf h VAL 142 Ca -0.04 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3iaf h VAL 142 Cb 1.33 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3iaf h VAL 142 CO 0.14 0.12 -0.23 -0.03 0.02 0.00 0.00 177.57 177.59 3iaf h MET 143 N 0.11 0.44 -0.53 1.57 1.85 -1.36 -2.50 114.93 114.51 3iaf h MET 143 Ca 0.05 -0.16 -0.04 0.00 -0.61 0.00 0.00 59.70 58.95 3iaf h MET 143 Cb 0.12 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 3iaf h MET 143 CO -0.01 0.65 0.18 0.37 -0.40 0.00 0.00 176.91 177.70 3iaf h GLN 144 N 0.40 0.82 -0.61 0.39 4.15 -1.05 -2.52 115.11 116.68 3iaf h GLN 144 Ca 0.06 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 3iaf h GLN 144 Cb 0.62 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 3iaf h GLN 144 CO 0.04 0.75 0.37 0.00 -1.93 0.00 0.00 178.83 178.06 3iaf h ALA 145 N 1.04 0.78 -0.64 3.38 0.00 -1.08 -2.30 119.26 120.44 3iaf h ALA 145 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3iaf h ALA 145 Cb 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iaf h ALA 145 CO -0.01 0.26 0.27 0.82 0.00 0.00 0.00 179.25 180.59 3iaf h ILE 146 N 0.83 1.23 -0.33 0.00 2.04 -1.31 -1.07 117.51 118.90 3iaf h ILE 146 Ca 0.22 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.41 3iaf h ILE 146 Cb -0.02 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3iaf h ILE 146 CO -0.04 0.28 0.09 0.03 0.00 0.00 0.00 178.15 178.51 3iaf h ARG 147 N 0.89 0.21 -0.90 2.37 3.08 -1.30 -0.59 114.38 118.15 3iaf h ARG 147 Ca 0.21 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.32 3iaf h ARG 147 Cb 0.19 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 3iaf h ARG 147 CO -0.02 0.14 0.56 0.00 -1.07 0.00 0.00 179.97 179.58 3iaf h ALA 148 N 1.22 1.25 -0.13 0.04 0.00 -0.83 -2.54 119.26 118.28 3iaf h ALA 148 Ca 0.15 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 3iaf h ALA 148 Cb 0.14 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iaf h ALA 148 CO -0.18 0.28 -0.83 0.00 0.00 0.00 0.00 179.25 178.53 3iaf h ALA 149 N 1.43 0.28 0.00 0.00 0.00 -0.78 -3.33 119.26 116.86 3iaf h ALA 149 Ca 0.40 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3iaf h ALA 149 Cb 0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iaf h ALA 149 CO -0.19 0.69 -0.06 -0.07 0.00 0.00 0.00 179.25 179.61 3iaf h LEU 150 N 0.52 0.00-10.00 0.00 3.38 -0.92 -2.99 115.31 105.30 3iaf h LEU 150 Ca -0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.39 3iaf h LEU 150 Cb 1.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 3iaf h LEU 150 CO 0.17 0.06 -0.01 -0.94 0.09 0.00 0.00 178.44 177.82 3iaf s SER 151 N -6.14 6.69 0.18 -0.43 1.04 -0.98 -4.75 113.70 109.32 3iaf s SER 151 Ca 0.05 1.10 -0.31 0.00 0.48 0.00 0.00 55.95 57.27 3iaf s SER 151 Cb 0.06 -2.30 -0.10 0.00 0.10 0.00 0.00 66.02 63.79 3iaf s SER 151 CO 0.65 -0.15 1.52 0.00 0.98 0.00 0.00 173.24 176.25 3iaf s ALA 152 N -1.92 3.72 -0.03 5.32 0.00 -1.26 -2.27 121.76 125.33 3iaf s ALA 152 Ca 0.51 1.34 -0.24 0.00 0.00 0.00 0.00 51.96 53.57 3iaf s ALA 152 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3iaf s ALA 152 CO 0.20 -0.76 0.73 -1.25 0.00 0.00 0.00 175.76 174.68 3iaf s PRO 153 N 0.74 4.45 0.41 0.00 0.04 -1.26 -4.93 135.00 134.44 3iaf s PRO 153 Ca 0.67 0.95 -0.24 0.00 0.04 0.00 0.00 61.00 62.42 3iaf s PRO 153 Cb -0.43 -3.42 -0.11 0.00 0.04 0.00 0.00 34.50 30.58 3iaf s PRO 153 CO 0.34 0.13 0.88 0.54 0.04 0.00 0.00 177.00 178.93 3iaf n ARG 154 N 3.49 1.10 -3.82 4.56 3.00 -0.96 -4.99 116.66 119.04 3iaf n ARG 154 Ca -0.01 0.40 -0.03 0.00 -0.01 0.00 0.00 57.85 58.19 3iaf n ARG 154 Cb 0.51 -1.86 0.00 0.00 0.00 0.00 0.00 32.46 31.11 3iaf n ARG 154 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3iaf s GLY 155 N -0.80 -0.03 0.45 -0.13 0.00 -1.13 -3.57 107.32 102.11 3iaf s GLY 155 Ca 0.63 -0.14 -0.15 0.00 0.00 0.00 0.00 44.72 45.06 3iaf s GLY 155 CO 0.57 1.23 0.89 2.56 0.00 0.00 0.00 173.10 178.35 3iaf s PRO 156 N -2.63 3.94 -0.00 2.90 0.04 -1.17 -3.38 135.00 134.69 3iaf s PRO 156 Ca 0.17 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.03 3iaf s PRO 156 Cb -0.02 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 3iaf s PRO 156 CO 0.04 -0.13 -0.06 0.08 0.04 0.00 0.00 177.00 176.97 3iaf s VAL 157 N -2.43 0.47 -0.30 -0.36 1.01 -0.34 -1.38 120.40 117.07 3iaf s VAL 157 Ca 0.56 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 3iaf s VAL 157 Cb -0.10 -0.41 0.04 0.00 0.00 0.00 0.00 36.38 35.91 3iaf s VAL 157 CO 0.28 0.11 0.02 -0.22 0.00 0.00 0.00 175.10 175.28 3iaf s LEU 158 N -0.21 3.81 -0.41 3.92 2.96 -0.72 -0.02 118.68 128.01 3iaf s LEU 158 Ca 0.02 -1.07 -0.15 0.00 -0.22 0.00 0.00 54.13 52.71 3iaf s LEU 158 Cb -0.03 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.93 3iaf s LEU 158 CO -0.00 -0.23 0.31 -0.22 -1.32 0.00 0.00 176.35 174.88 3iaf s LEU 159 N 1.34 5.11 -0.24 -0.68 2.96 -0.40 -1.39 118.68 125.38 3iaf s LEU 159 Ca -0.02 -0.90 -0.23 0.00 -0.22 0.00 0.00 54.13 52.75 3iaf s LEU 159 Cb -0.19 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 3iaf s LEU 159 CO -0.01 -0.46 0.77 -0.62 -1.32 0.00 0.00 176.35 174.72 3iaf s ASP 160 N 1.70 6.77 -0.47 3.68 -1.08 0.25 -2.01 116.67 125.52 3iaf s ASP 160 Ca 0.05 0.95 0.01 0.00 -0.52 0.00 0.00 52.55 53.05 3iaf s ASP 160 Cb -0.19 -2.41 0.12 0.00 -1.46 0.00 0.00 42.92 38.98 3iaf s ASP 160 CO 0.10 -0.47 0.23 -0.76 0.52 0.00 0.00 175.17 174.79 3iaf s LEU 161 N 2.71 4.83 0.25 -1.34 1.43 0.86 -1.58 118.68 125.85 3iaf s LEU 161 Ca 0.33 -2.54 -0.31 0.00 -1.03 0.00 0.00 54.13 50.59 3iaf s LEU 161 Cb -0.15 -1.72 -0.14 0.00 0.03 0.00 0.00 46.19 44.21 3iaf s LEU 161 CO 0.08 -0.37 1.30 -2.65 0.23 0.00 0.00 176.35 174.94 3iaf n PRO 162 N 3.82 1.82 -0.26 1.29 -0.02 -1.26 -3.11 135.00 137.28 3iaf n PRO 162 Ca 0.04 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.23 3iaf n PRO 162 Cb 0.38 -2.23 0.18 0.00 -0.02 0.00 0.00 33.50 31.81 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 3.55 0.09 -0.82 6.00 7.01 -1.40 0.39 115.95 130.77 3iaf h TRP 163 Ca -0.44 0.05 0.07 0.00 2.11 0.00 0.00 58.89 60.68 3iaf h TRP 163 Cb 1.30 0.08 -0.10 0.00 -2.10 0.00 0.00 29.16 28.34 3iaf h TRP 163 CO 0.54 -0.20 -0.48 -3.47 -2.79 0.00 0.00 178.44 172.04 3iaf n ASP 164 N -5.28 -0.86 0.08 2.65 4.64 -1.26 -1.48 116.55 115.04 3iaf n ASP 164 Ca 0.15 1.62 0.02 0.00 -1.38 0.00 0.00 54.79 55.20 3iaf n ASP 164 Cb 0.50 -0.27 0.38 0.00 -1.04 0.00 0.00 41.12 40.69 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 1.17 0.10 5.18 5.03 -1.29 -1.76 117.51 125.93 3iaf h ILE 165 Ca 0.13 -0.69 -0.29 0.00 -0.12 0.00 0.00 64.86 63.89 3iaf h ILE 165 Cb 0.33 1.07 0.03 0.00 -3.03 0.00 0.00 36.82 35.22 3iaf h ILE 165 CO -0.77 0.23 -1.21 -0.07 -0.68 0.00 0.00 178.15 175.65 3iaf h LEU 166 N 0.32 0.86 -0.39 1.44 3.38 -1.12 -3.32 115.31 116.48 3iaf h LEU 166 Ca 0.07 -0.78 -0.18 0.00 0.09 0.00 0.00 57.88 57.08 3iaf h LEU 166 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3iaf h LEU 166 CO 0.01 1.58 -0.79 0.24 0.09 0.00 0.00 178.44 179.57 3iaf h MET 167 N 0.29 0.23 -6.30 1.13 2.86 -1.11 0.21 114.93 112.25 3iaf h MET 167 Ca -0.18 -0.22 -0.63 0.00 -2.06 0.00 0.00 59.70 56.61 3iaf h MET 167 Cb 1.88 0.05 0.11 0.00 0.06 0.00 0.00 31.60 33.70 3iaf h MET 167 CO 0.23 0.91 -0.08 -1.71 1.06 0.00 0.00 176.91 177.32 3iaf n ASN 168 N -3.73 0.44 -4.41 1.22 2.85 -0.68 -4.60 115.26 106.34 3iaf n ASN 168 Ca -0.03 1.16 -0.33 0.00 -0.11 0.00 0.00 54.58 55.27 3iaf n ASN 168 Cb 0.75 -1.17 -0.14 0.00 1.24 0.00 0.00 39.78 40.46 3iaf n ASN 168 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3iaf s GLN 169 N -1.27 3.33 0.13 1.20 -0.21 -1.26 -1.60 119.66 119.98 3iaf s GLN 169 Ca 0.62 -0.65 0.08 0.00 0.02 0.00 0.00 55.36 55.43 3iaf s GLN 169 Cb -0.79 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 3iaf s GLN 169 CO 0.58 0.28 -0.19 0.42 -2.12 0.00 0.00 175.29 174.26 3iaf s ILE 170 N 0.20 1.69 -0.22 1.08 1.01 -0.11 -4.89 121.20 119.97 3iaf s ILE 170 Ca -0.07 -1.68 -0.31 0.00 0.00 0.00 0.00 60.65 58.59 3iaf s ILE 170 Cb -0.15 -1.64 -0.08 0.00 0.01 0.00 0.00 42.46 40.61 3iaf s ILE 170 CO 0.05 -0.19 2.16 -0.67 0.00 0.00 0.00 174.94 176.29 3iaf n ASP 171 N 0.76 3.07 0.19 3.58 4.64 -1.26 -1.10 116.55 126.43 3iaf n ASP 171 Ca -0.17 0.39 0.12 0.00 -1.38 0.00 0.00 54.79 53.75 3iaf n ASP 171 Cb 0.55 -1.46 0.68 0.00 -1.04 0.00 0.00 41.12 39.84 3iaf n ASP 171 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 3iaf h GLU 172 N 13.46 0.00 0.00 -0.67 4.11 0.13 -2.19 114.58 129.42 3iaf h GLU 172 Ca -0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.01 3iaf h GLU 172 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3iaf h GLU 172 CO 0.97 0.00 -0.14 -0.44 0.07 0.00 0.00 179.01 179.47 3iaf h ASP 173 N 0.00 0.00 0.77 3.06 3.45 -1.89 -3.26 116.42 118.55 3iaf h ASP 173 Ca 0.07 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.32 3iaf h ASP 173 Cb 0.31 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.04 3iaf h ASP 173 CO -0.00 0.14 -1.35 0.77 -1.57 0.00 0.00 179.24 177.24 3iaf h SER 174 N 0.00 0.00 -3.23 6.45 4.64 -1.77 -3.45 113.55 116.19 3iaf h SER 174 Ca -0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3iaf h SER 174 Cb 0.56 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.52 3iaf h SER 174 CO 0.02 0.79 -0.50 0.54 -0.87 0.00 0.00 176.83 176.81 3iaf s VAL 175 N -2.78 5.35 0.19 0.95 0.11 -1.23 -5.09 120.40 117.90 3iaf s VAL 175 Ca -0.02 0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 3iaf s VAL 175 Cb 0.08 -3.43 -0.07 0.00 -1.53 0.00 0.00 36.38 31.43 3iaf s VAL 175 CO 0.81 0.45 0.59 0.27 -3.33 0.00 0.00 175.10 173.89 3iaf s ILE 176 N 0.26 4.82 -0.41 7.04 -4.36 -1.26 -4.97 121.20 122.33 3iaf s ILE 176 Ca 0.08 0.81 -0.07 0.00 -0.26 0.00 0.00 60.65 61.21 3iaf s ILE 176 Cb -0.11 -3.71 0.08 0.00 1.25 0.00 0.00 42.46 39.97 3iaf s ILE 176 CO -0.01 0.12 0.22 -0.63 0.24 0.00 0.00 174.94 174.88 3iaf s ILE 177 N -1.60 3.90 0.76 8.37 1.01 -1.26 -4.73 121.20 127.64 3iaf s ILE 177 Ca 0.42 -1.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.38 3iaf s ILE 177 Cb -0.14 -3.44 0.05 0.00 0.01 0.00 0.00 42.46 38.95 3iaf s ILE 177 CO 0.20 -0.52 1.18 -2.84 0.00 0.00 0.00 174.94 172.96 3iaf s PRO 178 N 1.34 2.03 0.76 2.79 0.02 -1.26 -5.03 135.00 135.66 3iaf s PRO 178 Ca 0.03 1.64 -0.11 0.00 0.02 0.00 0.00 61.00 62.58 3iaf s PRO 178 Cb -0.23 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.51 3iaf s PRO 178 CO 0.00 -1.89 1.09 -0.51 -0.33 0.00 0.00 177.00 175.37 3iaf s ASP 179 N -2.29 4.86 -0.91 2.53 -0.00 -1.26 -4.89 116.67 114.71 3iaf s ASP 179 Ca 0.71 1.28 -0.20 0.00 -0.00 0.00 0.00 52.55 54.34 3iaf s ASP 179 Cb -0.26 -2.04 0.11 0.00 -0.00 0.00 0.00 42.92 40.73 3iaf s ASP 179 CO 0.48 -1.73 1.15 -0.22 -0.00 0.00 0.00 175.17 174.84 3iaf s LEU 180 N -5.63 4.79 -0.66 1.23 2.96 -1.26 -4.96 118.68 115.15 3iaf s LEU 180 Ca 0.60 -1.86 -0.14 0.00 -0.22 0.00 0.00 54.13 52.51 3iaf s LEU 180 Cb -0.13 -2.42 0.17 0.00 0.50 0.00 0.00 46.19 44.30 3iaf s LEU 180 CO 0.54 -1.16 0.60 -0.69 -1.32 0.00 0.00 176.35 174.31 3iaf s VAL 181 N 3.11 5.23 -0.25 1.68 1.01 -1.26 -4.97 120.40 124.96 3iaf s VAL 181 Ca 0.33 -2.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.22 3iaf s VAL 181 Cb -0.06 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 32.12 3iaf s VAL 181 CO -0.07 -0.93 0.54 -0.22 0.00 0.00 0.00 175.10 174.41 3iaf s LEU 182 N 0.89 -0.84 0.31 3.92 2.96 -1.26 -5.13 118.68 119.54 3iaf s LEU 182 Ca 0.10 1.27 -0.29 0.00 -0.22 0.00 0.00 54.13 54.99 3iaf s LEU 182 Cb -0.21 1.83 -0.11 0.00 0.50 0.00 0.00 46.19 48.20 3iaf s LEU 182 CO -0.03 -0.22 1.54 -0.55 -1.32 0.00 0.00 176.35 175.77 3iaf s SER 183 N 2.57 6.40 0.46 3.68 0.15 -1.26 -4.91 113.70 120.78 3iaf s SER 183 Ca -0.05 2.95 0.26 0.00 0.70 0.00 0.00 55.95 59.81 3iaf s SER 183 Cb -0.11 -2.64 0.86 0.00 -1.71 0.00 0.00 66.02 62.41 3iaf s SER 183 CO -0.16 -0.88 1.79 0.00 1.20 0.00 0.00 173.24 175.20 3iaf h ALA 184 N 4.33 0.97 -2.88 5.45 0.00 -2.01 -3.43 119.26 121.70 3iaf h ALA 184 Ca -0.48 -0.13 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 3iaf h ALA 184 Cb 1.23 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 3iaf h ALA 184 CO 0.75 0.17 -0.11 -1.01 0.00 0.00 0.00 179.25 179.05 3iaf s HIS 185 N -3.50 3.51 0.75 0.00 3.76 -1.26 -5.03 115.29 113.52 3iaf s HIS 185 Ca 0.02 0.92 -0.12 0.00 -0.15 0.00 0.00 55.06 55.74 3iaf s HIS 185 Cb 0.08 -2.59 0.04 0.00 1.11 0.00 0.00 32.58 31.23 3iaf s HIS 185 CO 0.62 0.14 1.10 0.20 -0.85 0.00 0.00 174.74 175.96 3iaf s GLY 186 N 0.68 1.62 0.05 -2.22 0.00 -1.26 -5.01 107.32 101.18 3iaf s GLY 186 Ca 0.27 -0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.37 3iaf s GLY 186 CO 0.11 0.09 1.30 0.00 0.00 0.00 0.00 173.10 174.60 3iaf s ALA 187 N -3.30 3.50 0.41 3.20 0.00 -1.26 -4.42 121.76 119.89 3iaf s ALA 187 Ca 0.59 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 53.44 3iaf s ALA 187 Cb -0.12 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3iaf s ALA 187 CO 0.52 -0.64 0.65 -0.98 0.00 0.00 0.00 175.76 175.32 3iaf s ARG 188 N 1.55 3.46 0.92 0.00 1.70 -1.26 -0.74 118.95 124.58 3iaf s ARG 188 Ca 0.61 -0.15 -0.11 0.00 -0.47 0.00 0.00 55.73 55.62 3iaf s ARG 188 Cb -0.31 -2.54 0.14 0.00 -0.57 0.00 0.00 34.95 31.67 3iaf s ARG 188 CO 0.28 -0.03 1.10 -2.14 -1.08 0.00 0.00 175.30 173.43 3iaf s PRO 189 N -4.50 1.05 0.34 3.89 0.02 -1.26 -4.93 135.00 129.60 3iaf s PRO 189 Ca 0.44 1.11 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 3iaf s PRO 189 Cb -0.10 -1.76 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 3iaf s PRO 189 CO 0.40 -2.47 1.43 0.34 -0.33 0.00 0.00 177.00 176.37 3iaf s ASP 190 N -3.05 6.53 0.32 2.53 2.15 -1.26 -4.80 116.67 119.09 3iaf s ASP 190 Ca 0.65 2.88 0.07 0.00 0.43 0.00 0.00 52.55 56.57 3iaf s ASP 190 Cb -0.20 -2.65 0.77 0.00 -0.30 0.00 0.00 42.92 40.53 3iaf s ASP 190 CO 0.58 -0.74 1.81 -0.65 -0.17 0.00 0.00 175.17 176.00 3iaf h PRO 191 N 3.53 0.73 -0.49 4.34 0.11 -1.98 0.20 132.00 138.44 3iaf h PRO 191 Ca -0.49 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3iaf h PRO 191 Cb 1.23 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3iaf h PRO 191 CO 0.68 0.48 0.22 0.00 -0.21 0.00 0.00 178.00 179.17 3iaf h ALA 192 N 1.61 1.47 -0.12 -0.75 0.00 -1.98 0.51 119.26 120.00 3iaf h ALA 192 Ca 0.53 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 55.12 3iaf h ALA 192 Cb 0.84 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3iaf h ALA 192 CO -0.30 0.42 -0.72 -0.44 0.00 0.00 0.00 179.25 178.21 3iaf h ASP 193 N 0.69 0.83 -0.32 0.00 3.45 -1.21 -2.70 116.42 117.16 3iaf h ASP 193 Ca 0.17 -0.65 -0.08 0.00 0.43 0.00 0.00 57.03 56.91 3iaf h ASP 193 Cb 0.10 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 3iaf h ASP 193 CO -0.02 1.35 -0.09 0.25 -1.57 0.00 0.00 179.24 179.16 3iaf h LEU 194 N 0.37 0.64 -0.61 1.55 5.85 -0.33 -1.54 115.31 121.24 3iaf h LEU 194 Ca -0.06 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 3iaf h LEU 194 Cb 1.36 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3iaf h LEU 194 CO 0.15 0.87 0.25 0.44 -0.34 0.00 0.00 178.44 179.81 3iaf h ASP 195 N 0.40 0.83 1.08 1.25 3.32 -0.07 0.05 116.42 123.29 3iaf h ASP 195 Ca 0.08 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3iaf h ASP 195 Cb 0.59 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3iaf h ASP 195 CO 0.03 0.77 0.00 1.56 -1.72 0.00 0.00 179.24 179.88 3iaf h GLN 196 N 0.85 0.00 0.01 3.56 4.20 -1.43 0.79 115.11 123.09 3iaf h GLN 196 Ca 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 3iaf h GLN 196 Cb 0.19 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.98 3iaf h GLN 196 CO -0.02 0.00 -0.28 0.00 -0.67 0.00 0.00 178.83 177.86 3iaf h ALA 197 N 2.08 0.02 0.00 3.87 0.00 -0.63 -2.93 119.26 121.67 3iaf h ALA 197 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3iaf h ALA 197 Cb 0.54 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3iaf h ALA 197 CO 0.00 0.11 -0.51 -0.07 0.00 0.00 0.00 179.25 178.78 3iaf h LEU 198 N -0.53 0.00 -1.26 0.00 3.38 -0.75 -1.75 115.31 114.40 3iaf h LEU 198 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3iaf h LEU 198 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3iaf h LEU 198 CO 0.06 0.51 -0.26 0.00 0.09 0.00 0.00 178.44 178.83 3iaf h ALA 199 N 1.49 1.38 0.11 1.53 0.00 0.51 -1.28 119.26 123.00 3iaf h ALA 199 Ca -0.01 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.32 3iaf h ALA 199 Cb 0.92 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.66 3iaf h ALA 199 CO 0.07 0.44 -1.23 -0.07 0.00 0.00 0.00 179.25 178.45 3iaf h LEU 200 N 0.16 0.88 -0.76 0.00 3.38 -1.30 -3.05 115.31 114.62 3iaf h LEU 200 Ca 0.03 -0.80 -0.09 0.00 0.09 0.00 0.00 57.88 57.10 3iaf h LEU 200 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3iaf h LEU 200 CO 0.04 1.61 -0.06 -0.07 0.09 0.00 0.00 178.44 180.05 3iaf h LEU 201 N 0.29 0.86 -0.29 1.67 3.38 -1.11 -2.96 115.31 117.15 3iaf h LEU 201 Ca -0.18 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 3iaf h LEU 201 Cb 1.90 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 3iaf h LEU 201 CO 0.24 0.96 -0.30 -0.09 0.09 0.00 0.00 178.44 179.34 3iaf h ARG 202 N 0.80 0.71 -1.64 1.13 2.43 -1.37 -3.29 114.38 113.15 3iaf h ARG 202 Ca 0.14 -0.38 -0.61 0.00 -0.81 0.00 0.00 59.98 58.32 3iaf h ARG 202 Cb 0.56 0.02 -0.23 0.00 -0.42 0.00 0.00 29.97 29.89 3iaf h ARG 202 CO 0.03 1.00 0.76 1.17 -1.51 0.00 0.00 179.97 181.42 3iaf n LYS 203 N -4.25 2.50 -4.02 0.20 4.81 -1.13 -4.83 118.16 111.44 3iaf n LYS 203 Ca -0.04 -2.88 -0.09 0.00 -0.87 0.00 0.00 58.31 54.44 3iaf n LYS 203 Cb 0.48 -2.14 -0.11 0.00 0.02 0.00 0.00 35.03 33.28 3iaf n LYS 203 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iaf s ALA 204 N -3.11 0.29 -0.24 3.14 0.00 -1.14 -4.91 121.76 115.79 3iaf s ALA 204 Ca 0.54 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 3iaf s ALA 204 Cb 0.42 0.17 -0.16 0.00 0.00 0.00 0.00 23.12 23.54 3iaf s ALA 204 CO -0.19 -0.20 -0.07 0.39 0.00 0.00 0.00 175.76 175.69 3iaf n GLU 205 N 1.17 0.59 -3.55 0.00 1.02 -1.26 -4.75 120.64 113.85 3iaf n GLU 205 Ca -0.21 0.40 -0.27 0.00 -0.02 0.00 0.00 57.16 57.06 3iaf n GLU 205 Cb 0.57 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 3iaf n GLU 205 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3iaf n ARG 206 N -4.27 1.52 -3.38 3.49 1.74 -1.26 -4.94 116.66 109.55 3iaf n ARG 206 Ca -0.44 -4.08 -0.27 0.00 -0.77 0.00 0.00 57.85 52.30 3iaf n ARG 206 Cb 0.81 -1.99 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.39 3.57 -0.08 5.56 0.04 -1.26 0.09 135.00 141.52 3iaf s PRO 207 Ca 0.32 -0.14 -0.07 0.00 0.04 0.00 0.00 61.00 61.15 3iaf s PRO 207 Cb 0.06 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.95 3iaf s PRO 207 CO -0.12 0.21 0.21 0.08 0.04 0.00 0.00 177.00 177.42 3iaf s VAL 208 N -2.14 -0.00 -0.10 -0.36 1.01 -0.02 -4.37 120.40 114.43 3iaf s VAL 208 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 3iaf s VAL 208 Cb -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 3iaf s VAL 208 CO 0.32 0.00 0.02 -0.63 0.00 0.00 0.00 175.10 174.82 3iaf s ILE 209 N 0.11 4.50 -0.04 2.22 1.01 0.30 -1.16 121.20 128.15 3iaf s ILE 209 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.50 3iaf s ILE 209 Cb -0.01 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.55 3iaf s ILE 209 CO 0.00 0.59 -0.08 -0.69 0.00 0.00 0.00 174.94 174.77 3iaf s VAL 210 N -0.77 0.75 0.19 2.92 1.01 -0.86 0.62 120.40 124.26 3iaf s VAL 210 Ca 0.12 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3iaf s VAL 210 Cb -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3iaf s VAL 210 CO 0.02 0.25 0.13 -0.76 0.00 0.00 0.00 175.10 174.75 3iaf s LEU 211 N 0.48 3.73 0.00 3.92 1.43 -0.76 -0.92 118.68 126.57 3iaf s LEU 211 Ca -0.08 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3iaf s LEU 211 Cb -0.11 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.78 3iaf s LEU 211 CO 0.01 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.24 3iaf n GLY 212 N -0.56 4.73 0.19 -3.19 0.00 -0.62 -2.45 105.19 103.29 3iaf n GLY 212 Ca -0.08 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 43.96 3iaf n GLY 212 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3iaf h SER 213 N 0.00 -0.45 0.00 1.61 0.02 -1.87 -1.97 113.55 110.88 3iaf h SER 213 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3iaf h SER 213 Cb 0.00 0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3iaf h SER 213 CO 0.00 -0.16 0.09 -0.33 -1.14 0.00 0.00 176.83 175.29 3iaf h GLU 214 N -0.02 0.00 0.00 3.45 4.39 -1.88 -0.96 114.58 119.56 3iaf h GLU 214 Ca 0.21 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.77 3iaf h GLU 214 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3iaf h GLU 214 CO -0.47 0.00 -0.70 0.00 -1.16 0.00 0.00 179.01 176.68 3iaf h ALA 215 N 1.79 0.56 0.00 3.43 0.00 -1.61 -3.19 119.26 120.25 3iaf h ALA 215 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 3iaf h ALA 215 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3iaf h ALA 215 CO 0.00 0.88 -0.78 0.77 0.00 0.00 0.00 179.25 180.12 3iaf h SER 216 N 0.00 0.00 0.28 0.00 0.02 -1.27 -2.84 113.55 109.74 3iaf h SER 216 Ca -0.01 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3iaf h SER 216 Cb 1.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 3iaf h SER 216 CO 0.09 0.45 -0.58 0.03 -1.14 0.00 0.00 176.83 175.68 3iaf h ARG 217 N 0.00 0.31 0.00 3.45 2.47 -1.51 -3.03 114.38 116.07 3iaf h ARG 217 Ca -0.05 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 3iaf h ARG 217 Cb 1.39 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 3iaf h ARG 217 CO 0.05 0.80 -1.42 0.25 0.56 0.00 0.00 179.97 180.20 3iaf n THR 218 N -3.90 0.17 -4.10 2.04 -2.24 -1.21 -4.76 114.28 100.28 3iaf n THR 218 Ca -0.02 -0.39 -0.47 0.00 -2.27 0.00 0.00 64.05 60.90 3iaf n THR 218 Cb 0.60 0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.94 3iaf n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iaf n ALA 219 N -2.05 -2.59 -3.27 6.98 0.00 -1.07 -4.89 120.51 113.61 3iaf n ALA 219 Ca -0.01 -0.60 -0.47 0.00 0.00 0.00 0.00 53.44 52.37 3iaf n ALA 219 Cb 0.50 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 3iaf n ALA 219 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iaf s ARG 220 N -7.50 3.57 -0.11 0.00 1.81 -1.26 -4.92 118.95 110.55 3iaf s ARG 220 Ca 0.48 -2.33 -0.19 0.00 -1.72 0.00 0.00 55.73 51.98 3iaf s ARG 220 Cb -0.27 -4.48 -0.16 0.00 -0.45 0.00 0.00 34.95 29.58 3iaf s ARG 220 CO 0.97 -1.36 0.60 0.87 -0.68 0.00 0.00 175.30 175.70 3iaf h LYS 221 N 7.98 -0.05 -0.39 3.54 1.57 -1.94 -3.15 116.57 124.13 3iaf h LYS 221 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3iaf h LYS 221 Cb 1.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3iaf h LYS 221 CO 0.81 0.54 0.06 1.79 -0.57 0.00 0.00 179.45 182.09 3iaf h THR 222 N -0.95 1.19 -0.06 -0.16 1.35 -1.97 0.82 112.91 113.13 3iaf h THR 222 Ca -0.00 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 3iaf h THR 222 Cb 0.61 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3iaf h THR 222 CO 0.01 0.26 -0.00 0.00 -0.25 0.00 0.00 175.52 175.53 3iaf h ALA 223 N 1.50 0.08 -0.37 6.62 0.00 -1.93 0.22 119.26 125.37 3iaf h ALA 223 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iaf h ALA 223 Cb 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3iaf h ALA 223 CO 0.00 -0.24 0.19 1.25 0.00 0.00 0.00 179.25 180.45 3iaf h LEU 224 N -0.21 0.48 -0.68 0.00 5.85 -1.42 -0.87 115.31 118.46 3iaf h LEU 224 Ca 0.02 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.72 3iaf h LEU 224 Cb 0.36 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 3iaf h LEU 224 CO 0.00 0.46 0.30 -1.28 -0.34 0.00 0.00 178.44 177.58 3iaf h SER 225 N 0.47 0.34 -0.53 1.25 0.87 0.72 -0.17 113.55 116.50 3iaf h SER 225 Ca 0.13 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 3iaf h SER 225 Cb 0.10 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3iaf h SER 225 CO -0.02 0.18 -0.05 0.00 -0.53 0.00 0.00 176.83 176.41 3iaf h ALA 226 N 1.45 0.71 -0.54 6.23 0.00 -0.26 -1.52 119.26 125.33 3iaf h ALA 226 Ca 0.35 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3iaf h ALA 226 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3iaf h ALA 226 CO -0.31 0.58 0.04 0.35 0.00 0.00 0.00 179.25 179.91 3iaf h PHE 227 N 0.83 1.01 0.00 0.00 3.04 -0.56 -1.77 116.94 119.49 3iaf h PHE 227 Ca 0.14 -0.16 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 3iaf h PHE 227 Cb 0.60 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 3iaf h PHE 227 CO 0.04 0.91 -0.60 0.28 -2.02 0.00 0.00 178.31 176.92 3iaf h VAL 228 N 0.82 1.22 0.01 1.41 2.07 -1.04 -2.06 116.25 118.67 3iaf h VAL 228 Ca 0.16 -2.22 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 3iaf h VAL 228 Cb 0.48 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3iaf h VAL 228 CO 0.02 0.59 -0.00 0.00 0.02 0.00 0.00 177.57 178.19 3iaf h ALA 229 N 1.40 -0.01 -0.35 1.67 0.00 -1.07 0.20 119.26 121.09 3iaf h ALA 229 Ca -0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3iaf h ALA 229 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3iaf h ALA 229 CO 0.08 -0.32 -0.29 0.00 0.00 0.00 0.00 179.25 178.72 3iaf h ALA 230 N 0.61 0.82 0.06 0.00 0.00 -1.35 -3.33 119.26 116.07 3iaf h ALA 230 Ca -0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 54.91 54.17 3iaf h ALA 230 Cb 0.38 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3iaf h ALA 230 CO 0.00 0.64 -1.92 0.25 0.00 0.00 0.00 179.25 178.22 3iaf n THR 231 N -4.08 1.68 -2.72 0.00 -2.24 -0.77 -4.62 114.28 101.52 3iaf n THR 231 Ca -0.01 -0.72 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 3iaf n THR 231 Cb 0.47 -1.37 0.02 0.00 -2.10 0.00 0.00 70.33 67.35 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 1.82 -0.13 3.78 3.38 0.00 0.69 -4.66 105.19 110.07 3iaf n GLY 232 Ca -0.27 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.94 5.13 0.31 1.61 1.01 -1.26 -4.44 120.40 119.82 3iaf s VAL 233 Ca 0.19 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 3iaf s VAL 233 Cb -0.08 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 3iaf s VAL 233 CO 0.23 0.47 1.59 -2.84 0.00 0.00 0.00 175.10 174.55 3iaf s PRO 234 N -0.27 4.11 -0.12 2.72 0.02 -1.26 -4.80 135.00 135.40 3iaf s PRO 234 Ca 0.23 2.59 0.03 0.00 0.02 0.00 0.00 61.00 63.87 3iaf s PRO 234 Cb -0.15 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3iaf s PRO 234 CO 0.11 -0.63 -0.22 0.08 -0.33 0.00 0.00 177.00 176.01 3iaf s VAL 235 N -0.15 2.20 0.18 3.83 1.01 -0.60 -0.54 120.40 126.33 3iaf s VAL 235 Ca 0.62 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3iaf s VAL 235 Cb -0.48 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3iaf s VAL 235 CO 0.50 0.55 0.09 0.49 0.00 0.00 0.00 175.10 176.74 3iaf n PHE 236 N 3.73 -0.70 -3.57 5.22 3.72 0.20 -1.23 117.46 124.83 3iaf n PHE 236 Ca -0.19 -0.80 -0.05 0.00 -0.05 0.00 0.00 57.45 56.35 3iaf n PHE 236 Cb 0.52 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 3iaf n PHE 236 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iaf s ALA 237 N -2.27 -2.00 0.90 4.37 0.00 -1.12 -1.82 121.76 119.81 3iaf s ALA 237 Ca 0.07 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 3iaf s ALA 237 Cb -0.01 0.07 0.19 0.00 0.00 0.00 0.00 23.12 23.37 3iaf s ALA 237 CO 0.05 -0.65 1.24 0.16 0.00 0.00 0.00 175.76 176.55 3iaf s ASP 238 N -2.32 3.36 0.25 0.00 3.84 -1.03 -2.62 116.67 118.16 3iaf s ASP 238 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 52.55 52.52 3iaf s ASP 238 Cb -0.01 -0.10 0.34 0.00 -1.38 0.00 0.00 42.92 41.78 3iaf s ASP 238 CO -0.06 -2.55 1.58 1.88 -0.00 0.00 0.00 175.17 176.02 3iaf h TYR 239 N -1.35 -0.61 0.00 2.11 -1.99 -1.93 0.24 116.97 113.44 3iaf h TYR 239 Ca -0.41 0.08 -0.13 0.00 2.00 0.00 0.00 58.73 60.27 3iaf h TYR 239 Cb 1.24 0.40 -0.02 0.00 2.00 0.00 0.00 36.73 40.35 3iaf h TYR 239 CO -0.99 -0.38 -0.63 1.49 -0.00 0.00 0.00 178.16 177.65 3iaf h GLU 240 N -0.02 0.00 0.00 4.88 4.57 -1.93 -3.23 114.58 118.85 3iaf h GLU 240 Ca 0.39 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.45 3iaf h GLU 240 Cb 0.63 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 3iaf h GLU 240 CO -0.90 0.63 -0.68 0.78 -1.18 0.00 0.00 179.01 177.67 3iaf h GLY 241 N 2.02 0.00 -0.42 1.92 0.00 -0.95 -3.39 103.07 102.26 3iaf h GLY 241 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.52 3iaf h GLY 241 CO 0.08 0.00 0.06 -2.00 0.00 0.00 0.00 176.54 174.69 3iaf h LEU 242 N 0.00 -0.27 -1.64 3.11 5.85 -0.69 -0.42 115.31 121.26 3iaf h LEU 242 Ca -0.03 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3iaf h LEU 242 Cb 1.44 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.81 3iaf h LEU 242 CO 0.07 -0.18 0.01 0.77 -0.34 0.00 0.00 178.44 178.77 3iaf h SER 243 N 0.13 0.00 1.83 1.25 4.64 -1.80 -0.64 113.55 118.95 3iaf h SER 243 Ca 0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.75 3iaf h SER 243 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3iaf h SER 243 CO -0.68 0.00 -0.17 0.24 -0.87 0.00 0.00 176.83 175.35 3iaf h MET 244 N 0.00 0.00 0.00 4.77 2.86 -1.37 -3.18 114.93 118.01 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 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3iaf h MET 244 CO 0.00 0.15 -0.02 -0.07 1.06 0.00 0.00 176.91 178.03 3iaf h LEU 245 N 0.00 0.00 -0.38 1.22 3.38 -1.25 -3.34 115.31 114.94 3iaf h LEU 245 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iaf h LEU 245 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3iaf h LEU 245 CO 0.02 0.02 0.09 -1.20 0.09 0.00 0.00 178.44 177.46 3iaf n SER 246 N -3.11 0.15 -0.26 -0.43 7.64 -1.20 -1.60 113.62 114.80 3iaf n SER 246 Ca 0.02 0.50 0.04 0.00 1.01 0.00 0.00 58.87 60.43 3iaf n SER 246 Cb 0.40 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 3iaf n SER 246 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iaf n GLY 247 N -1.38 -0.67 3.90 0.23 0.00 -1.26 -4.95 105.19 101.06 3iaf n GLY 247 Ca -0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.72 3.37 0.27 0.99 1.43 -0.63 -4.97 118.68 118.42 3iaf s LEU 248 Ca 0.08 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 3iaf s LEU 248 Cb 0.06 -3.99 -0.12 0.00 0.03 0.00 0.00 46.19 42.17 3iaf s LEU 248 CO 0.10 -0.83 1.64 -2.84 0.23 0.00 0.00 176.35 174.65 3iaf s PRO 249 N -4.98 4.11 0.41 1.29 0.02 -1.26 -4.86 135.00 129.74 3iaf s PRO 249 Ca 0.52 2.60 0.29 0.00 0.02 0.00 0.00 61.00 64.43 3iaf s PRO 249 Cb -0.11 -3.03 1.38 0.00 0.02 0.00 0.00 34.50 32.76 3iaf s PRO 249 CO 0.48 -0.67 1.87 -0.44 -0.33 0.00 0.00 177.00 177.90 3iaf h ASP 250 N 5.33 0.00 0.81 2.53 3.32 -1.95 0.64 116.42 127.11 3iaf h ASP 250 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3iaf h ASP 250 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3iaf h ASP 250 CO 0.84 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.36 3iaf h ALA 251 N 2.08 1.00 0.00 3.45 0.00 -1.98 -3.06 119.26 120.75 3iaf h ALA 251 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 3iaf h ALA 251 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3iaf h ALA 251 CO 0.00 0.00 -2.19 -1.33 0.00 0.00 0.00 179.25 175.73 3iaf n MET 252 N -2.51 1.15 -1.54 0.00 2.81 0.19 -4.70 117.12 112.52 3iaf n MET 252 Ca 0.02 -0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.57 3iaf n MET 252 Cb 0.25 -1.44 -0.07 0.00 -0.71 0.00 0.00 33.22 31.24 3iaf n MET 252 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3iaf n ARG 253 N -2.66 0.70 0.05 0.03 1.74 -1.04 -1.56 116.66 113.92 3iaf n ARG 253 Ca -0.29 -0.13 0.13 0.00 -0.77 0.00 0.00 57.85 56.79 3iaf n ARG 253 Cb 1.06 -2.95 0.34 0.00 -1.02 0.00 0.00 32.46 29.88 3iaf n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iaf n GLY 254 N 6.20 -1.47 4.83 -0.13 0.00 -0.36 -4.86 105.19 109.40 3iaf n GLY 254 Ca 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3iaf n GLY 254 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaf n GLY 255 N 1.40 -0.19 3.71 -0.02 0.00 -1.25 -4.82 105.19 104.01 3iaf n GLY 255 Ca 0.05 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 4.34 0.59 0.99 1.43 -1.26 -2.81 118.68 121.96 3iaf s LEU 256 Ca 0.00 1.56 0.30 0.00 -1.03 0.00 0.00 54.13 54.96 3iaf s LEU 256 Cb 0.00 -3.48 1.24 0.00 0.03 0.00 0.00 46.19 43.98 3iaf s LEU 256 CO 0.00 -0.26 1.57 1.62 0.23 0.00 0.00 176.35 179.51 3iaf h VAL 257 N 4.84 0.15 -0.96 -1.59 3.04 -1.82 0.21 116.25 120.12 3iaf h VAL 257 Ca -0.40 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 65.51 3iaf h VAL 257 Cb 1.21 0.25 -0.08 0.00 -2.01 0.00 0.00 31.29 30.65 3iaf h VAL 257 CO 0.76 0.00 0.62 0.06 -1.01 0.00 0.00 177.57 178.01 3iaf h GLN 258 N 0.00 0.47 0.00 4.17 3.07 -1.86 0.27 115.11 121.23 3iaf h GLN 258 Ca 0.44 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 59.15 3iaf h GLN 258 Cb 2.35 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 29.80 3iaf h GLN 258 CO -0.00 0.31 0.04 -0.91 0.09 0.00 0.00 178.83 178.35 3iaf h ASN 259 N 0.48 0.00 0.00 0.06 2.35 -0.94 -3.05 115.58 114.48 3iaf h ASN 259 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 3iaf h ASN 259 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3iaf h ASN 259 CO -0.25 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.42 3iaf n LEU 260 N -2.56 0.00 -0.04 1.61 7.94 0.95 -3.81 117.00 121.09 3iaf n LEU 260 Ca -0.02 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.79 3iaf n LEU 260 Cb 0.08 -0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.00 3iaf n LEU 260 CO 0.13 -0.00 0.91 0.22 -1.11 0.00 0.00 177.39 177.54 3iaf h TYR 261 N 0.00 0.13 0.00 1.96 3.20 -1.72 -3.22 116.97 117.32 3iaf h TYR 261 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3iaf h TYR 261 Cb 0.00 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 3iaf h TYR 261 CO 0.00 0.07 -0.13 0.77 -1.64 0.00 0.00 178.16 177.22 3iaf h SER 262 N 0.17 0.00 -0.92 -2.11 0.02 -1.88 -2.48 113.55 106.36 3iaf h SER 262 Ca 0.08 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.30 3iaf h SER 262 Cb 0.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3iaf h SER 262 CO -0.08 0.13 0.81 -0.26 -1.14 0.00 0.00 176.83 176.29 3iaf h PHE 263 N 0.00 0.00 -0.36 3.45 0.04 -1.80 0.68 116.94 118.95 3iaf h PHE 263 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3iaf h PHE 263 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3iaf h PHE 263 CO 0.00 0.00 0.16 0.00 -0.60 0.00 0.00 178.31 177.87 3iaf h ALA 264 N 1.25 0.46 -0.64 2.45 0.00 -1.66 -2.56 119.26 118.57 3iaf h ALA 264 Ca 0.43 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.83 3iaf h ALA 264 Cb 2.04 -0.14 -0.24 0.00 0.00 0.00 0.00 17.79 19.45 3iaf h ALA 264 CO -0.00 0.04 -0.03 1.63 0.00 0.00 0.00 179.25 180.88 3iaf n LYS 265 N -4.71 2.50 0.00 0.00 4.76 0.22 -4.05 118.16 116.87 3iaf n LYS 265 Ca -0.01 -3.46 0.00 0.00 -2.87 0.00 0.00 58.31 51.97 3iaf n LYS 265 Cb 0.12 -2.06 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 3iaf n LYS 265 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iaf n ALA 266 N -0.98 1.73 0.00 7.82 0.00 -0.03 -5.01 120.51 124.04 3iaf n ALA 266 Ca 0.44 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3iaf n ALA 266 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.44 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 -0.12 0.00 -4.35 0.00 4.64 -1.22 -4.87 116.55 110.63 3iaf n ASP 267 Ca 0.00 0.00 -0.44 0.00 -1.38 0.00 0.00 54.79 52.97 3iaf n ASP 267 Cb 0.16 -0.07 0.00 0.00 -1.04 0.00 0.00 41.12 40.17 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 0.15 4.16 -2.39 -1.67 0.00 -1.24 -4.98 120.51 114.54 3iaf n ALA 268 Ca 0.00 -4.23 -0.36 0.00 0.00 0.00 0.00 53.44 48.85 3iaf n ALA 268 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 19.45 16.32 3iaf n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaf s ALA 269 N 1.51 3.61 0.27 0.00 0.00 -0.97 -4.57 121.76 121.62 3iaf s ALA 269 Ca 0.43 -0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 3iaf s ALA 269 Cb 0.00 -2.49 -0.12 0.00 0.00 0.00 0.00 23.12 20.51 3iaf s ALA 269 CO 0.01 0.46 1.65 -2.14 0.00 0.00 0.00 175.76 175.74 3iaf s PRO 270 N -1.73 4.11 0.00 0.00 0.02 -1.26 -4.88 135.00 131.26 3iaf s PRO 270 Ca 0.34 2.61 0.27 0.00 0.02 0.00 0.00 61.00 64.25 3iaf s PRO 270 Cb -0.16 -3.03 0.98 0.00 0.02 0.00 0.00 34.50 32.31 3iaf s PRO 270 CO 0.18 -0.69 1.71 -0.40 -0.33 0.00 0.00 177.00 177.48 3iaf n ASP 271 N 2.74 0.53 -3.67 2.53 3.85 0.11 -4.38 116.55 118.27 3iaf n ASP 271 Ca 0.11 -0.43 -0.11 0.00 -0.71 0.00 0.00 54.79 53.65 3iaf n ASP 271 Cb 0.36 -0.02 -0.09 0.00 -1.35 0.00 0.00 41.12 40.03 3iaf n ASP 271 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3iaf s LEU 272 N -2.66 -0.38 -0.12 -2.12 2.96 -1.23 -2.96 118.68 112.17 3iaf s LEU 272 Ca 0.22 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 3iaf s LEU 272 Cb 0.19 1.95 0.02 0.00 0.50 0.00 0.00 46.19 48.85 3iaf s LEU 272 CO 0.54 -0.21 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.53 3iaf s VAL 273 N 0.89 1.46 -0.69 1.68 1.01 -0.91 -0.84 120.40 122.99 3iaf s VAL 273 Ca -0.05 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 3iaf s VAL 273 Cb -0.05 -1.35 0.17 0.00 0.00 0.00 0.00 36.38 35.15 3iaf s VAL 273 CO -0.07 0.43 0.65 -0.22 0.00 0.00 0.00 175.10 175.89 3iaf s LEU 274 N 1.17 6.43 -0.40 3.92 2.96 -0.31 -1.47 118.68 130.97 3iaf s LEU 274 Ca -0.03 -2.22 -0.29 0.00 -0.22 0.00 0.00 54.13 51.37 3iaf s LEU 274 Cb -0.14 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.35 3iaf s LEU 274 CO -0.04 -0.73 1.15 -0.04 -1.32 0.00 0.00 176.35 175.37 3iaf s MET 275 N 0.95 3.85 -0.82 1.98 -1.94 -0.59 -2.03 119.30 120.69 3iaf s MET 275 Ca 0.11 0.83 -0.03 0.00 -1.71 0.00 0.00 55.69 54.89 3iaf s MET 275 Cb -0.20 -3.85 0.21 0.00 2.01 0.00 0.00 34.83 32.99 3iaf s MET 275 CO -0.03 -1.20 0.70 -0.51 -0.01 0.00 0.00 175.02 173.96 3iaf s LEU 276 N 4.23 5.53 0.00 -0.03 1.43 -0.09 -1.33 118.68 128.42 3iaf s LEU 276 Ca 0.49 -3.45 0.00 0.00 -1.03 0.00 0.00 54.13 50.13 3iaf s LEU 276 Cb -0.10 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3iaf s LEU 276 CO 0.25 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.19 3iaf n GLY 277 N 2.71 2.81 3.73 -3.19 0.00 -0.92 -1.60 105.19 108.73 3iaf n GLY 277 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.97 3.84 -0.06 4.61 0.00 -1.26 -4.24 121.76 122.68 3iaf s ALA 278 Ca 0.00 1.52 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 3iaf s ALA 278 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3iaf s ALA 278 CO 0.00 -0.90 0.08 1.03 0.00 0.00 0.00 175.76 175.97 3iaf s ARG 279 N 0.69 3.16 -1.13 0.00 0.52 -1.26 -4.95 118.95 115.98 3iaf s ARG 279 Ca 0.70 -0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 55.33 3iaf s ARG 279 Cb -0.48 -2.94 -0.08 0.00 0.52 0.00 0.00 34.95 31.97 3iaf s ARG 279 CO 0.36 0.70 1.94 -0.06 0.02 0.00 0.00 175.30 178.26 3iaf s PHE 280 N -1.06 1.92 0.00 -0.53 0.40 -1.26 -4.25 117.98 113.20 3iaf s PHE 280 Ca 0.18 0.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 3iaf s PHE 280 Cb -0.12 -4.00 0.00 0.00 0.51 0.00 0.00 43.02 39.41 3iaf s PHE 280 CO 0.08 -1.30 0.00 0.41 0.70 0.00 0.00 175.22 175.11 3iaf n GLY 281 N 6.00 3.44 0.47 4.36 0.00 -1.26 -4.75 105.19 113.45 3iaf n GLY 281 Ca 0.44 -0.37 0.29 0.00 0.00 0.00 0.00 46.02 46.38 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 0.20 -0.51 0.99 5.85 -1.92 0.05 115.31 119.97 3iaf h LEU 282 Ca 0.00 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3iaf h LEU 282 Cb 0.00 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3iaf h LEU 282 CO 0.00 0.03 -0.56 0.78 -0.34 0.00 0.00 178.44 178.35 3iaf h ASN 283 N 0.17 0.61 -2.28 1.25 -0.26 -1.96 -3.39 115.58 109.73 3iaf h ASN 283 Ca 0.57 -0.33 -0.60 0.00 -0.56 0.00 0.00 56.30 55.38 3iaf h ASN 283 Cb 1.89 -0.18 -0.42 0.00 -1.06 0.00 0.00 38.32 38.56 3iaf h ASN 283 CO -0.14 1.05 -0.60 0.35 -1.06 0.00 0.00 177.43 177.02 3iaf n THR 284 N -3.95 3.12 -1.61 2.81 -2.24 -0.10 -4.77 114.28 107.53 3iaf n THR 284 Ca -0.03 -5.58 -0.17 0.00 -2.27 0.00 0.00 64.05 55.99 3iaf n THR 284 Cb 0.61 -1.44 -0.07 0.00 -2.10 0.00 0.00 70.33 67.33 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 -0.19 1.40 7.00 3.38 0.00 -1.24 -4.44 105.19 111.10 3iaf n GLY 285 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.34 0.00 0.09 1.61 8.25 -0.58 -3.19 115.22 119.05 3iaf n HIS 286 Ca -0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.26 3iaf n HIS 286 Cb 0.58 0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 3iaf n HIS 286 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3iaf h GLY 287 N 0.00 0.00 -2.58 -1.41 0.00 -1.85 -3.39 103.07 93.84 3iaf h GLY 287 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3iaf h GLY 287 CO 0.00 0.00 0.51 -1.35 0.00 0.00 0.00 176.54 175.70 3iaf s SER 288 N -6.45 5.77 0.00 0.19 1.04 -1.19 -4.75 113.70 108.31 3iaf s SER 288 Ca 0.01 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.86 3iaf s SER 288 Cb 0.09 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3iaf s SER 288 CO 0.79 -1.20 1.09 0.61 0.98 0.00 0.00 173.24 175.50 3iaf n GLY 289 N 0.49 1.84 0.22 7.32 0.00 -1.26 -4.27 105.19 109.54 3iaf n GLY 289 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 0.61 0.76 0.00 1.61 1.08 -1.91 -3.34 115.11 113.93 3iaf h GLN 290 Ca 0.00 -0.55 -0.26 0.00 -1.45 0.00 0.00 58.65 56.38 3iaf h GLN 290 Cb 0.85 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.33 3iaf h GLN 290 CO 0.00 1.17 -2.00 1.28 -0.95 0.00 0.00 178.83 178.34 3iaf n LEU 291 N -4.05 2.69 -4.19 1.46 4.77 -1.26 -4.32 117.00 112.10 3iaf n LEU 291 Ca -0.06 -0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.44 3iaf n LEU 291 Cb 0.66 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 3iaf n LEU 291 CO 0.50 0.75 -0.10 -0.63 -1.33 0.00 0.00 177.39 176.58 3iaf s ILE 292 N -2.35 3.83 0.54 -0.08 -1.09 -1.26 -4.78 121.20 116.01 3iaf s ILE 292 Ca -0.22 -1.81 -0.21 0.00 -2.23 0.00 0.00 60.65 56.17 3iaf s ILE 292 Cb 0.06 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 3iaf s ILE 292 CO 0.42 -0.68 1.29 -2.84 -1.23 0.00 0.00 174.94 171.90 3iaf s PRO 293 N 1.29 3.24 0.21 2.79 0.02 -1.25 -4.19 135.00 137.10 3iaf s PRO 293 Ca 0.06 2.06 -0.06 0.00 0.02 0.00 0.00 61.00 63.08 3iaf s PRO 293 Cb -0.24 -2.23 0.18 0.00 0.02 0.00 0.00 34.50 32.23 3iaf s PRO 293 CO -0.02 -1.06 1.67 0.45 -0.33 0.00 0.00 177.00 177.72 3iaf h HIS 294 N 1.48 1.00 0.00 6.54 3.86 -1.97 -2.99 115.15 123.07 3iaf h HIS 294 Ca -0.50 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.53 3iaf h HIS 294 Cb 1.29 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3iaf h HIS 294 CO 0.48 0.93 0.00 -1.13 0.86 0.00 0.00 177.93 179.07 3iaf n SER 295 N -4.17 0.57 -4.75 2.45 3.41 -1.26 -4.69 113.62 105.17 3iaf n SER 295 Ca 0.02 0.75 -0.39 0.00 -0.26 0.00 0.00 58.87 58.99 3iaf n SER 295 Cb 0.36 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.43 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 -3.53 3.43 -0.06 7.33 0.00 -1.13 -4.94 121.76 122.86 3iaf s ALA 296 Ca -0.02 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 3iaf s ALA 296 Cb 0.06 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 3iaf s ALA 296 CO 0.21 0.10 0.73 -0.65 0.00 0.00 0.00 175.76 176.16 3iaf s GLN 297 N -0.03 4.45 -0.10 0.00 -0.21 -1.16 -4.91 119.66 117.71 3iaf s GLN 297 Ca 0.34 0.94 0.02 0.00 0.02 0.00 0.00 55.36 56.69 3iaf s GLN 297 Cb -0.19 -3.45 -0.01 0.00 1.00 0.00 0.00 33.01 30.36 3iaf s GLN 297 CO 0.19 0.06 -0.17 0.08 -2.12 0.00 0.00 175.29 173.32 3iaf s VAL 298 N 0.79 2.68 -0.25 1.09 1.01 -1.26 -2.15 120.40 122.32 3iaf s VAL 298 Ca 0.39 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 3iaf s VAL 298 Cb -0.18 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3iaf s VAL 298 CO 0.19 0.55 0.04 -0.63 0.00 0.00 0.00 175.10 175.26 3iaf s ILE 299 N 0.10 4.05 -0.11 2.22 1.01 -0.54 -0.67 121.20 127.26 3iaf s ILE 299 Ca -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3iaf s ILE 299 Cb -0.15 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 3iaf s ILE 299 CO 0.05 0.34 -0.17 -1.58 0.00 0.00 0.00 174.94 173.58 3iaf s GLN 300 N 1.57 3.20 -0.12 2.79 0.74 -0.62 -1.55 119.66 125.67 3iaf s GLN 300 Ca 0.06 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.72 3iaf s GLN 300 Cb -0.15 -2.50 -0.01 0.00 1.10 0.00 0.00 33.01 31.45 3iaf s GLN 300 CO 0.02 0.24 -0.15 0.08 -0.55 0.00 0.00 175.29 174.93 3iaf s VAL 301 N 0.26 2.89 -0.18 1.34 1.01 -0.44 -0.74 120.40 124.53 3iaf s VAL 301 Ca -0.12 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 3iaf s VAL 301 Cb -0.16 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.09 3iaf s VAL 301 CO 0.06 0.53 0.72 -0.62 0.00 0.00 0.00 175.10 175.79 3iaf s ASP 302 N 0.34 -0.70 0.48 3.32 -1.08 -0.61 -2.16 116.67 116.26 3iaf s ASP 302 Ca -0.12 1.13 0.26 0.00 -0.52 0.00 0.00 52.55 53.29 3iaf s ASP 302 Cb -0.16 1.07 1.18 0.00 -1.46 0.00 0.00 42.92 43.54 3iaf s ASP 302 CO 0.06 -0.39 1.94 -0.65 0.52 0.00 0.00 175.17 176.65 3iaf h PRO 303 N 4.15 0.00 -4.82 4.34 0.11 -1.85 -2.87 132.00 131.06 3iaf h PRO 303 Ca -0.28 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.16 3iaf h PRO 303 Cb 1.15 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.04 3iaf h PRO 303 CO 0.19 0.17 -0.57 0.34 -0.21 0.00 0.00 178.00 177.92 3iaf s ASP 304 N -6.14 5.46 0.53 -2.05 2.15 -1.26 -4.78 116.67 110.58 3iaf s ASP 304 Ca -0.01 -0.46 0.31 0.00 0.43 0.00 0.00 52.55 52.81 3iaf s ASP 304 Cb 0.11 -1.98 1.42 0.00 -0.30 0.00 0.00 42.92 42.17 3iaf s ASP 304 CO 0.61 -0.16 2.03 0.00 -0.17 0.00 0.00 175.17 177.47 3iaf h ALA 305 N 8.32 1.10 -0.13 3.66 0.00 -1.97 -2.27 119.26 127.97 3iaf h ALA 305 Ca -0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3iaf h ALA 305 Cb 1.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3iaf h ALA 305 CO 0.60 0.12 -0.06 0.00 0.00 0.00 0.00 179.25 179.91 3iaf h GLU 307 N 0.19 0.00 -5.45 0.00 4.39 -1.83 -3.39 114.58 108.50 3iaf h GLU 307 Ca 0.04 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.43 3iaf h GLU 307 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3iaf h GLU 307 CO 0.01 0.37 1.16 1.28 -1.16 0.00 0.00 179.01 180.66 3iaf n LEU 308 N -3.43 1.83 -3.56 1.33 4.32 -1.06 -1.46 117.00 114.96 3iaf n LEU 308 Ca 0.00 -0.77 -0.20 0.00 -0.02 0.00 0.00 56.01 55.02 3iaf n LEU 308 Cb 0.54 -1.51 0.07 0.00 -1.62 0.00 0.00 43.42 40.89 3iaf n LEU 308 CO 0.37 -1.84 0.09 0.61 -1.22 0.00 0.00 177.39 175.39 3iaf n GLY 309 N 6.28 -0.38 0.37 -0.72 0.00 -1.26 -4.90 105.19 104.57 3iaf n GLY 309 Ca 0.44 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.69 3iaf n GLY 309 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iaf h ARG 310 N -2.04 0.83 0.00 1.61 2.43 -1.45 -3.26 114.38 112.50 3iaf h ARG 310 Ca -0.59 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3iaf h ARG 310 Cb 1.35 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3iaf h ARG 310 CO 0.54 0.55 0.00 1.28 -1.51 0.00 0.00 179.97 180.83 3iaf n LEU 311 N -4.57 0.42 -4.14 3.80 4.77 -1.26 -5.06 117.00 110.96 3iaf n LEU 311 Ca 0.17 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.54 3iaf n LEU 311 Cb 0.38 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 3iaf n LEU 311 CO 0.29 0.10 -0.40 -1.58 -1.33 0.00 0.00 177.39 174.48 3iaf s GLN 312 N -0.13 0.75 0.26 3.23 2.00 -1.23 -4.83 119.66 119.71 3iaf s GLN 312 Ca 0.00 -1.11 -0.30 0.00 -2.00 0.00 0.00 55.36 51.95 3iaf s GLN 312 Cb 0.00 -0.32 -0.09 0.00 0.80 0.00 0.00 33.01 33.40 3iaf s GLN 312 CO 0.00 0.03 1.05 0.20 -0.50 0.00 0.00 175.29 176.07 3iaf s GLY 313 N -2.44 3.07 0.17 2.59 0.00 -1.26 -4.50 107.32 104.94 3iaf s GLY 313 Ca 0.04 0.80 0.06 0.00 0.00 0.00 0.00 44.72 45.62 3iaf s GLY 313 CO -0.02 1.41 -0.12 -0.26 0.00 0.00 0.00 173.10 174.11 3iaf s ILE 314 N -1.10 1.42 0.01 0.90 -4.36 -1.26 -4.75 121.20 112.05 3iaf s ILE 314 Ca 0.44 -2.12 0.04 0.00 -0.26 0.00 0.00 60.65 58.74 3iaf s ILE 314 Cb -0.30 -1.93 -0.25 0.00 1.25 0.00 0.00 42.46 41.24 3iaf s ILE 314 CO 0.38 -0.68 0.87 0.00 0.24 0.00 0.00 174.94 175.75 3iaf h ALA 315 N 2.69 0.45 -3.14 2.27 0.00 -1.25 -3.47 119.26 116.82 3iaf h ALA 315 Ca -0.37 -1.19 -0.21 0.00 0.00 0.00 0.00 54.91 53.13 3iaf h ALA 315 Cb 1.20 0.27 -0.30 0.00 0.00 0.00 0.00 17.79 18.96 3iaf h ALA 315 CO 0.63 1.31 -0.53 -1.17 0.00 0.00 0.00 179.25 179.48 3iaf s LEU 316 N -6.65 0.60 -0.27 0.00 2.96 -1.03 -5.03 118.68 109.26 3iaf s LEU 316 Ca -0.06 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 3iaf s LEU 316 Cb 0.08 0.57 0.07 0.00 0.50 0.00 0.00 46.19 47.41 3iaf s LEU 316 CO 0.83 -0.15 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.82 3iaf s GLY 317 N 1.15 1.56 -0.21 7.98 0.00 -1.26 -1.58 107.32 114.95 3iaf s GLY 317 Ca -0.09 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 42.85 3iaf s GLY 317 CO -0.07 0.81 -0.04 -0.42 0.00 0.00 0.00 173.10 173.38 3iaf s ILE 318 N 1.19 3.43 -0.36 0.90 -1.09 0.08 -5.02 121.20 120.33 3iaf s ILE 318 Ca -0.04 -0.48 -0.22 0.00 -2.23 0.00 0.00 60.65 57.68 3iaf s ILE 318 Cb -0.19 -2.55 0.01 0.00 -1.58 0.00 0.00 42.46 38.14 3iaf s ILE 318 CO -0.07 0.43 0.73 0.68 -1.23 0.00 0.00 174.94 175.48 3iaf s VAL 319 N 1.33 4.79 0.15 2.92 -7.23 -1.25 -1.58 120.40 119.52 3iaf s VAL 319 Ca 0.04 0.77 -0.25 0.00 -1.81 0.00 0.00 61.98 60.73 3iaf s VAL 319 Cb -0.14 -4.16 0.06 0.00 0.56 0.00 0.00 36.38 32.70 3iaf s VAL 319 CO -0.02 -0.39 0.88 0.00 -0.31 0.00 0.00 175.10 175.25 3iaf s ALA 320 N 2.96 -1.60 0.13 1.32 0.00 -1.08 -4.88 121.76 118.60 3iaf s ALA 320 Ca 0.29 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3iaf s ALA 320 Cb -0.14 0.66 -0.07 0.00 0.00 0.00 0.00 23.12 23.57 3iaf s ALA 320 CO 0.16 -0.96 1.22 0.34 0.00 0.00 0.00 175.76 176.52 3iaf s ASP 321 N -2.84 7.06 0.29 0.00 2.15 0.08 -3.16 116.67 120.26 3iaf s ASP 321 Ca 0.10 2.16 -0.02 0.00 0.43 0.00 0.00 52.55 55.22 3iaf s ASP 321 Cb -0.02 -2.59 0.43 0.00 -0.30 0.00 0.00 42.92 40.43 3iaf s ASP 321 CO -0.00 -0.43 1.90 0.58 -0.17 0.00 0.00 175.17 177.04 3iaf h VAL 322 N 4.08 1.21 -0.20 1.11 2.07 -1.87 0.62 116.25 123.28 3iaf h VAL 322 Ca -0.43 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.38 3iaf h VAL 322 Cb 1.21 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3iaf h VAL 322 CO 0.78 0.25 -0.35 1.23 0.02 0.00 0.00 177.57 179.50 3iaf h GLY 323 N 1.02 0.64 1.52 2.17 0.00 -1.92 -2.67 103.07 103.84 3iaf h GLY 323 Ca 0.24 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 3iaf h GLY 323 CO -0.03 0.67 0.06 -1.33 0.00 0.00 0.00 176.54 175.91 3iaf h GLY 324 N 0.26 0.65 0.74 4.60 0.00 -1.69 -2.70 103.07 104.93 3iaf h GLY 324 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3iaf h GLY 324 CO 0.08 0.34 -0.01 -0.84 0.00 0.00 0.00 176.54 176.11 3iaf h THR 325 N 0.58 1.27 -0.44 4.70 2.02 -0.89 -1.95 112.91 118.20 3iaf h THR 325 Ca 0.13 -0.87 0.12 0.00 0.77 0.00 0.00 66.41 66.56 3iaf h THR 325 Cb 0.27 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3iaf h THR 325 CO 0.00 0.25 0.31 0.40 0.37 0.00 0.00 175.52 176.86 3iaf h ILE 326 N -0.09 0.80 -0.08 3.11 2.04 -1.33 0.60 117.51 122.56 3iaf h ILE 326 Ca 0.03 -0.02 -0.22 0.00 1.00 0.00 0.00 64.86 65.65 3iaf h ILE 326 Cb 0.39 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3iaf h ILE 326 CO 0.01 0.01 -0.81 -0.08 0.00 0.00 0.00 178.15 177.28 3iaf h GLU 327 N 0.05 0.68 -0.40 2.37 4.57 -1.26 0.23 114.58 120.82 3iaf h GLU 327 Ca 0.21 -0.63 -0.11 0.00 -1.18 0.00 0.00 59.36 57.65 3iaf h GLU 327 Cb 0.77 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 3iaf h GLU 327 CO -0.01 1.23 -0.19 0.00 -1.18 0.00 0.00 179.01 178.86 3iaf h ALA 328 N 0.46 0.91 -0.06 2.92 0.00 -0.27 -0.08 119.26 123.13 3iaf h ALA 328 Ca -0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iaf h ALA 328 Cb 1.46 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3iaf h ALA 328 CO 0.16 0.62 0.03 -0.07 0.00 0.00 0.00 179.25 179.99 3iaf h LEU 329 N 0.67 0.09 0.03 0.00 3.38 0.13 -2.79 115.31 116.82 3iaf h LEU 329 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iaf h LEU 329 Cb 0.69 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3iaf h LEU 329 CO 0.05 0.20 -0.02 0.00 0.09 0.00 0.00 178.44 178.77 3iaf h ALA 330 N 0.89 -0.05 0.20 1.53 0.00 -0.79 -2.59 119.26 118.45 3iaf h ALA 330 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3iaf h ALA 330 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3iaf h ALA 330 CO -0.00 -0.48 -0.10 0.37 0.00 0.00 0.00 179.25 179.04 3iaf h GLN 331 N -0.15 -0.27 -0.50 0.00 4.15 -1.06 -2.36 115.11 114.92 3iaf h GLN 331 Ca -0.00 0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 3iaf h GLN 331 Cb 0.13 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 3iaf h GLN 331 CO 0.01 -0.18 -0.15 0.00 -1.93 0.00 0.00 178.83 176.58 3iaf h ALA 332 N 0.52 0.69 0.00 3.38 0.00 -1.58 -2.62 119.26 119.65 3iaf h ALA 332 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3iaf h ALA 332 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3iaf h ALA 332 CO 0.04 0.63 0.00 -2.37 0.00 0.00 0.00 179.25 177.55 3iaf n THR 333 N -4.16 0.93 0.51 0.00 5.66 -0.97 -2.82 114.28 113.42 3iaf n THR 333 Ca 0.00 0.33 0.13 0.00 -3.05 0.00 0.00 64.05 61.47 3iaf n THR 333 Cb 0.42 -1.26 0.40 0.00 -1.55 0.00 0.00 70.33 68.35 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 2.24 1.00 0.02 1.79 0.00 -1.02 -3.23 119.26 120.06 3iaf h ALA 334 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 3iaf h ALA 334 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3iaf h ALA 334 CO 0.00 0.00 -1.60 1.04 0.00 0.00 0.00 179.25 178.69 3iaf n GLN 335 N -2.41 0.61 -1.50 0.00 6.02 -1.13 -4.80 117.38 114.17 3iaf n GLN 335 Ca 0.04 0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 57.09 3iaf n GLN 335 Cb 0.40 -1.70 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 3iaf n GLN 335 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3iaf n ASP 336 N -4.20 1.32 -1.17 1.08 10.43 -1.22 -4.72 116.55 118.07 3iaf n ASP 336 Ca -0.35 -0.01 0.12 0.00 2.57 0.00 0.00 54.79 57.11 3iaf n ASP 336 Cb 0.78 -1.21 0.21 0.00 1.84 0.00 0.00 41.12 42.75 3iaf n ASP 336 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iaf n ALA 337 N 12.24 2.42 -3.05 2.24 0.00 -1.26 -4.54 120.51 128.56 3iaf n ALA 337 Ca 0.51 -1.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 3iaf n ALA 337 Cb 0.24 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 3iaf n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaf n ALA 338 N 1.52 3.77 -2.63 0.00 0.00 -1.26 -5.07 120.51 116.84 3iaf n ALA 338 Ca 0.19 -4.28 -0.40 0.00 0.00 0.00 0.00 53.44 48.95 3iaf n ALA 338 Cb 0.61 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 3iaf n ALA 338 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iaf s TRP 339 N -3.03 3.64 0.37 0.00 0.52 -1.26 -5.02 118.94 114.15 3iaf s TRP 339 Ca 0.45 1.44 -0.27 0.00 0.02 0.00 0.00 56.10 57.74 3iaf s TRP 339 Cb 0.29 -2.90 -0.11 0.00 -1.15 0.00 0.00 33.47 29.59 3iaf s TRP 339 CO -0.11 0.10 1.31 -2.30 0.02 0.00 0.00 176.95 175.97 3iaf n PRO 340 N 3.57 2.15 -2.20 4.98 -0.02 -1.26 -4.92 135.00 137.29 3iaf n PRO 340 Ca 0.01 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 3iaf n PRO 340 Cb 0.51 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3iaf n PRO 340 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3iaf s ASP 341 N -0.35 6.87 -0.07 2.55 2.15 -1.26 -4.89 116.67 121.67 3iaf s ASP 341 Ca 0.57 2.43 0.11 0.00 0.43 0.00 0.00 52.55 56.08 3iaf s ASP 341 Cb -0.54 -2.61 0.17 0.00 -0.30 0.00 0.00 42.92 39.64 3iaf s ASP 341 CO 0.61 -0.54 1.09 0.54 -0.17 0.00 0.00 175.17 176.70 3iaf n ARG 342 N 2.59 2.01 -0.34 4.34 5.12 -1.26 -4.75 116.66 124.37 3iaf n ARG 342 Ca 0.06 -2.12 0.13 0.00 -1.93 0.00 0.00 57.85 53.98 3iaf n ARG 342 Cb 0.43 -1.29 0.31 0.00 -1.16 0.00 0.00 32.46 30.75 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 0.00 1.74 0.90 -0.13 0.00 -1.91 1.01 103.07 104.68 3iaf h GLY 343 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3iaf h GLY 343 CO 0.00 -0.08 -0.01 -1.80 0.00 0.00 0.00 176.54 174.65 3iaf h ASP 344 N 0.72 0.57 -0.23 0.19 3.58 -1.99 -0.86 116.42 118.41 3iaf h ASP 344 Ca 0.57 -0.32 -0.09 0.00 0.42 0.00 0.00 57.03 57.62 3iaf h ASP 344 Cb 0.90 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 3iaf h ASP 344 CO -0.39 0.75 -0.19 -0.25 -2.88 0.00 0.00 179.24 176.28 3iaf h TRP 345 N 0.38 0.64 -0.42 0.28 -0.00 -1.43 -2.61 115.95 112.79 3iaf h TRP 345 Ca 0.09 -0.18 0.04 0.00 -0.00 0.00 0.00 58.89 58.84 3iaf h TRP 345 Cb 0.47 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 29.45 3iaf h TRP 345 CO 0.04 0.85 0.19 0.00 -0.00 0.00 0.00 178.44 179.53 3iaf h ALA 347 N 1.24 1.06 -0.51 0.00 0.00 -1.15 0.20 119.26 120.10 3iaf h ALA 347 Ca 0.19 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3iaf h ALA 347 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3iaf h ALA 347 CO -0.15 0.16 0.31 -0.22 0.00 0.00 0.00 179.25 179.35 3iaf h LYS 348 N 0.83 0.60 0.10 0.00 1.63 -1.05 -2.14 116.57 116.55 3iaf h LYS 348 Ca 0.34 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3iaf h LYS 348 Cb 0.20 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3iaf h LYS 348 CO -0.18 0.40 -0.05 0.28 -3.45 0.00 0.00 179.45 176.45 3iaf h VAL 349 N 0.62 1.08 -0.65 2.00 2.07 -0.19 -2.08 116.25 119.10 3iaf h VAL 349 Ca 0.20 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 67.07 3iaf h VAL 349 Cb 0.00 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 3iaf h VAL 349 CO -0.08 0.18 0.27 0.74 0.02 0.00 0.00 177.57 178.70 3iaf h THR 350 N -0.49 0.77 0.00 2.57 2.02 -0.66 -2.01 112.91 115.10 3iaf h THR 350 Ca -0.01 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3iaf h THR 350 Cb 0.40 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3iaf h THR 350 CO 0.02 0.08 0.00 0.44 0.37 0.00 0.00 175.52 176.44 3iaf h ASP 351 N 0.46 0.00 0.26 4.18 3.32 -1.34 -1.55 116.42 121.74 3iaf h ASP 351 Ca 0.33 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.04 3iaf h ASP 351 Cb 0.42 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.99 3iaf h ASP 351 CO -0.31 0.00 -1.60 -0.07 -1.72 0.00 0.00 179.24 175.54 3iaf h LEU 352 N 0.00 0.71 -0.88 1.55 3.38 -0.73 -0.02 115.31 119.31 3iaf h LEU 352 Ca 0.00 -0.88 -0.05 0.00 0.09 0.00 0.00 57.88 57.03 3iaf h LEU 352 Cb 0.71 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3iaf h LEU 352 CO 0.00 1.72 0.20 0.00 0.09 0.00 0.00 178.44 180.45 3iaf h ALA 353 N 0.17 1.10 -0.25 1.53 0.00 -1.34 -0.19 119.26 120.27 3iaf h ALA 353 Ca -0.29 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 3iaf h ALA 353 Cb 2.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3iaf h ALA 353 CO 0.22 0.62 -0.49 0.37 0.00 0.00 0.00 179.25 179.97 3iaf h GLN 354 N 0.99 0.70 -0.80 0.00 5.75 -1.35 -1.68 115.11 118.71 3iaf h GLN 354 Ca 0.22 -0.41 -0.04 0.00 -0.15 0.00 0.00 58.65 58.27 3iaf h GLN 354 Cb 0.29 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 3iaf h GLN 354 CO -0.01 1.03 0.36 0.93 -2.65 0.00 0.00 178.83 178.49 3iaf h GLU 355 N 0.55 1.18 0.18 1.69 5.08 -0.73 -2.02 114.58 120.52 3iaf h GLU 355 Ca 0.02 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3iaf h GLU 355 Cb 1.05 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3iaf h GLU 355 CO 0.10 0.93 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.87 3iaf h ARG 356 N 1.16 -0.24 -0.14 2.33 2.43 -0.97 -2.81 114.38 116.14 3iaf h ARG 356 Ca 0.27 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.50 3iaf h ARG 356 Cb 0.17 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 3iaf h ARG 356 CO -0.03 -0.11 -0.38 -0.92 -1.51 0.00 0.00 179.97 177.02 3iaf h TYR 357 N -0.30 -1.07 -0.17 2.20 3.20 -1.11 -2.71 116.97 117.00 3iaf h TYR 357 Ca -0.03 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 3iaf h TYR 357 Cb 0.23 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3iaf h TYR 357 CO -0.05 -0.44 -0.36 0.00 -1.64 0.00 0.00 178.16 175.67 3iaf h ALA 358 N 0.26 1.07 0.00 1.82 0.00 -1.43 -1.86 119.26 119.11 3iaf h ALA 358 Ca 0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3iaf h ALA 358 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3iaf h ALA 358 CO -0.39 0.58 -0.25 0.66 0.00 0.00 0.00 179.25 179.86 3iaf h SER 359 N 0.31 0.00 0.11 0.00 4.64 -1.35 0.80 113.55 118.07 3iaf h SER 359 Ca 0.03 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 3iaf h SER 359 Cb 0.78 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3iaf h SER 359 CO 0.06 0.25 -0.85 0.40 -0.87 0.00 0.00 176.83 175.82 3iaf h ILE 360 N 0.00 1.34 -0.19 0.95 2.04 -1.13 -3.36 117.51 117.15 3iaf h ILE 360 Ca -0.00 -2.18 -0.17 0.00 1.00 0.00 0.00 64.86 63.51 3iaf h ILE 360 Cb 0.47 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3iaf h ILE 360 CO 0.03 0.67 -0.57 0.00 0.00 0.00 0.00 178.15 178.28 3iaf h ALA 361 N 0.69 0.65 -0.49 1.87 0.00 -0.42 -3.33 119.26 118.22 3iaf h ALA 361 Ca -0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3iaf h ALA 361 Cb 1.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3iaf h ALA 361 CO 0.16 0.69 0.28 0.00 0.00 0.00 0.00 179.25 180.38 3iaf h ALA 362 N 0.92 0.63 -3.00 0.00 0.00 -1.04 -3.42 119.26 113.35 3iaf h ALA 362 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iaf h ALA 362 Cb 1.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3iaf h ALA 362 CO 0.11 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.13 3iaf n LYS 363 N -4.68 2.07 -0.98 0.00 5.02 -1.25 -4.71 118.16 113.63 3iaf n LYS 363 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3iaf n LYS 363 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 3iaf n LYS 363 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3iaf n SER 364 N 0.00 -3.12 -4.31 4.39 3.41 -1.26 -4.94 113.62 107.79 3iaf n SER 364 Ca 0.00 0.00 -0.51 0.00 -0.26 0.00 0.00 58.87 58.10 3iaf n SER 364 Cb 0.00 -1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 62.80 3iaf n SER 364 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3iaf n SER 365 N -0.20 -0.70 -1.90 4.04 3.41 -1.26 -4.45 113.62 112.57 3iaf n SER 365 Ca 0.00 1.11 -0.12 0.00 -0.26 0.00 0.00 58.87 59.60 3iaf n SER 365 Cb 0.10 -0.91 0.20 0.00 -0.26 0.00 0.00 64.21 63.34 3iaf n SER 365 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3iaf n SER 366 N 1.73 3.97 0.25 4.04 7.64 -1.26 -4.67 113.62 125.33 3iaf n SER 366 Ca 0.18 -3.15 0.15 0.00 1.01 0.00 0.00 58.87 57.06 3iaf n SER 366 Cb 0.17 -0.74 0.84 0.00 -1.01 0.00 0.00 64.21 63.47 3iaf n SER 366 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3iaf h GLU 367 N 1.51 0.00 0.00 1.43 4.81 -2.02 -3.29 114.58 117.02 3iaf h GLU 367 Ca 0.37 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 3iaf h GLU 367 Cb 2.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.67 3iaf h GLU 367 CO 0.76 0.00 -0.65 0.72 -0.73 0.00 0.00 179.01 179.11 3iaf n HIS 368 N -3.95 0.00 -4.51 0.92 8.25 -1.26 -5.09 115.22 109.58 3iaf n HIS 368 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 3iaf n HIS 368 Cb 0.17 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.46 3.27 -0.69 -1.41 0.00 -1.24 -5.08 121.76 114.15 3iaf s ALA 369 Ca -0.16 -2.25 -0.25 0.00 0.00 0.00 0.00 51.96 49.30 3iaf s ALA 369 Cb 0.03 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.25 3iaf s ALA 369 CO 0.23 -0.13 1.11 -1.17 0.00 0.00 0.00 175.76 175.80 3iaf s LEU 370 N -3.75 3.81 -0.04 0.00 2.96 -1.26 -4.17 118.68 116.22 3iaf s LEU 370 Ca 0.36 -0.70 -0.35 0.00 -0.22 0.00 0.00 54.13 53.23 3iaf s LEU 370 Cb 0.09 -2.52 -0.13 0.00 0.50 0.00 0.00 46.19 44.13 3iaf s LEU 370 CO 0.19 -1.61 1.78 1.57 -1.32 0.00 0.00 176.35 176.96 3iaf n HIS 371 N 8.45 2.27 0.09 5.38 -0.00 -1.26 -3.50 115.22 126.64 3iaf n HIS 371 Ca -0.00 0.12 0.19 0.00 -0.00 0.00 0.00 57.72 58.03 3iaf n HIS 371 Cb 0.47 -2.61 0.60 0.00 -0.00 0.00 0.00 29.99 28.45 3iaf n HIS 371 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3iaf h PRO 372 N 8.14 0.00 -0.83 1.57 0.11 -1.92 1.14 132.00 140.21 3iaf h PRO 372 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3iaf h PRO 372 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3iaf h PRO 372 CO 0.93 0.00 0.55 0.35 -0.21 0.00 0.00 178.00 179.62 3iaf h PHE 373 N 0.00 1.04 -0.53 0.65 3.04 -1.91 0.08 116.94 119.32 3iaf h PHE 373 Ca 0.21 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.08 3iaf h PHE 373 Cb 1.58 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.72 3iaf h PHE 373 CO 0.00 0.66 -0.09 0.45 -2.02 0.00 0.00 178.31 177.31 3iaf h HIS 374 N 1.12 1.08 -0.12 0.41 3.86 0.10 -1.66 115.15 119.94 3iaf h HIS 374 Ca 0.30 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 3iaf h HIS 374 Cb -0.13 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.06 3iaf h HIS 374 CO -0.01 1.01 -0.19 0.00 0.86 0.00 0.00 177.93 179.59 3iaf h ALA 375 N 1.01 1.47 0.05 2.45 0.00 -1.31 -2.86 119.26 120.06 3iaf h ALA 375 Ca 0.14 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 3iaf h ALA 375 Cb 0.64 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.38 3iaf h ALA 375 CO 0.04 0.38 -1.12 0.77 0.00 0.00 0.00 179.25 179.32 3iaf h SER 376 N 0.18 0.89 0.31 0.00 0.02 -0.78 -3.25 113.55 110.92 3iaf h SER 376 Ca 0.03 -0.75 -0.06 0.00 -0.84 0.00 0.00 61.79 60.17 3iaf h SER 376 Cb 0.45 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3iaf h SER 376 CO 0.03 1.55 -0.31 1.56 -1.14 0.00 0.00 176.83 178.52 3iaf h GLN 377 N 0.34 0.00 -0.23 3.45 4.20 -1.20 -1.70 115.11 119.98 3iaf h GLN 377 Ca -0.15 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3iaf h GLN 377 Cb 1.78 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.55 3iaf h GLN 377 CO 0.22 0.31 0.10 0.28 -0.67 0.00 0.00 178.83 179.07 3iaf h VAL 378 N 0.00 1.15 -0.91 -0.54 2.07 -1.58 -2.87 116.25 113.58 3iaf h VAL 378 Ca -0.00 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3iaf h VAL 378 Cb 0.54 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3iaf h VAL 378 CO 0.04 0.15 0.60 0.40 0.02 0.00 0.00 177.57 178.77 3iaf h ILE 379 N 0.23 1.21 -0.79 4.57 2.04 -1.49 -3.17 117.51 120.10 3iaf h ILE 379 Ca 0.08 -0.41 0.11 0.00 1.00 0.00 0.00 64.86 65.63 3iaf h ILE 379 Cb 0.14 -0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.04 3iaf h ILE 379 CO -0.01 0.22 0.42 0.00 0.00 0.00 0.00 178.15 178.78 3iaf h ALA 380 N 1.34 1.13 0.00 1.87 0.00 -1.09 -0.98 119.26 121.53 3iaf h ALA 380 Ca 0.34 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3iaf h ALA 380 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3iaf h ALA 380 CO -0.09 -0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.52 3iaf n LYS 381 N -4.82 0.74 -0.41 0.00 2.85 -1.18 -1.42 118.16 113.91 3iaf n LYS 381 Ca 0.14 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.46 3iaf n LYS 381 Cb 0.32 -1.16 0.11 0.00 -0.65 0.00 0.00 35.03 33.65 3iaf n LYS 381 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3iaf n HIS 382 N -0.23 0.00 -4.44 5.58 8.25 -0.37 -5.05 115.22 118.96 3iaf n HIS 382 Ca 0.00 -0.82 -0.31 0.00 -0.26 0.00 0.00 57.72 56.32 3iaf n HIS 382 Cb 0.08 -0.15 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.01 1.85 0.12 1.59 1.01 -0.51 -4.90 120.40 117.55 3iaf s VAL 383 Ca 0.26 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3iaf s VAL 383 Cb 0.24 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.97 3iaf s VAL 383 CO -0.02 0.51 0.22 -0.90 0.00 0.00 0.00 175.10 174.91 3iaf n ASP 384 N 4.29 -0.62 0.33 3.32 5.75 -1.20 -4.41 116.55 124.01 3iaf n ASP 384 Ca -0.19 -1.50 0.14 0.00 -0.01 0.00 0.00 54.79 53.22 3iaf n ASP 384 Cb 0.51 1.06 0.76 0.00 -1.03 0.00 0.00 41.12 42.41 3iaf n ASP 384 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iaf h ALA 385 N 1.90 1.39 -0.30 2.12 0.00 -1.56 -0.42 119.26 122.39 3iaf h ALA 385 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iaf h ALA 385 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3iaf h ALA 385 CO 0.12 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.39 3iaf n GLY 386 N -1.24 0.78 2.98 0.00 0.00 -1.26 -3.70 105.19 102.75 3iaf n GLY 386 Ca -0.02 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.60 0.99 -0.32 1.61 1.01 -0.23 -1.48 120.40 120.38 3iaf s VAL 387 Ca 0.32 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3iaf s VAL 387 Cb 0.17 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3iaf s VAL 387 CO 0.24 0.33 0.35 -0.89 0.00 0.00 0.00 175.10 175.13 3iaf s THR 388 N 0.81 5.18 -0.42 3.92 2.01 -0.21 0.08 115.64 127.01 3iaf s THR 388 Ca -0.12 0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.87 3iaf s THR 388 Cb -0.15 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.61 3iaf s THR 388 CO 0.02 -0.02 0.33 -0.69 -0.69 0.00 0.00 174.62 173.58 3iaf s VAL 389 N 2.00 5.23 0.04 3.82 1.01 0.41 -1.00 120.40 131.91 3iaf s VAL 389 Ca 0.12 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 3iaf s VAL 389 Cb -0.16 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 3iaf s VAL 389 CO 0.11 -0.36 0.46 -0.69 0.00 0.00 0.00 175.10 174.63 3iaf s VAL 390 N 1.75 4.94 -0.03 2.92 1.01 -0.18 -1.83 120.40 128.98 3iaf s VAL 390 Ca 0.06 0.93 0.03 0.00 0.00 0.00 0.00 61.98 62.99 3iaf s VAL 390 Cb -0.19 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3iaf s VAL 390 CO 0.10 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.63 3iaf s ALA 391 N -1.13 0.96 0.27 5.51 0.00 -0.31 -1.23 121.76 125.82 3iaf s ALA 391 Ca 0.27 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.85 3iaf s ALA 391 Cb -0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3iaf s ALA 391 CO 0.16 0.17 0.17 0.34 0.00 0.00 0.00 175.76 176.59 3iaf s ASP 392 N 0.12 1.05 0.08 0.00 -1.08 0.02 -4.44 116.67 112.43 3iaf s ASP 392 Ca -0.02 -1.53 0.00 0.00 -0.52 0.00 0.00 52.55 50.48 3iaf s ASP 392 Cb -0.08 0.40 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 3iaf s ASP 392 CO 0.01 -0.90 0.00 0.61 0.52 0.00 0.00 175.17 175.41 3iaf n GLY 393 N -0.47 -3.42 0.11 2.66 0.00 -1.26 -3.32 105.19 99.49 3iaf n GLY 393 Ca 0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.02 3iaf n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf h ALA 394 N 0.38 -0.17 -0.03 4.61 0.00 -1.99 -1.72 119.26 120.35 3iaf h ALA 394 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3iaf h ALA 394 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iaf h ALA 394 CO 0.00 -0.16 0.02 1.25 0.00 0.00 0.00 179.25 180.36 3iaf h LEU 395 N -0.98 0.00 0.53 0.00 5.85 -1.94 -2.14 115.31 116.62 3iaf h LEU 395 Ca -0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3iaf h LEU 395 Cb 0.13 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.16 3iaf h LEU 395 CO 0.03 0.00 -0.25 0.74 -0.34 0.00 0.00 178.44 178.62 3iaf h THR 396 N 0.00 0.38 0.00 1.05 2.02 -1.83 -3.34 112.91 111.19 3iaf h THR 396 Ca 0.01 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 3iaf h THR 396 Cb 0.05 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3iaf h THR 396 CO -0.00 0.05 -0.45 0.10 0.37 0.00 0.00 175.52 175.58 3iaf h TYR 397 N -0.94 0.00 0.00 3.16 -0.00 -0.80 -2.73 116.97 115.66 3iaf h TYR 397 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.66 3iaf h TYR 397 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.35 3iaf h TYR 397 CO 0.00 0.45 0.00 1.28 -0.00 0.00 0.00 178.16 179.89 3iaf n LEU 398 N -3.85 0.58 -0.05 0.10 4.77 -0.85 -1.38 117.00 116.31 3iaf n LEU 398 Ca -0.01 0.67 -0.22 0.00 -0.03 0.00 0.00 56.01 56.42 3iaf n LEU 398 Cb 0.50 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 3iaf n LEU 398 CO 0.39 -0.62 -0.80 0.79 -1.33 0.00 0.00 177.39 175.82 3iaf n TRP 399 N -2.17 0.99 -0.36 -1.77 7.02 -1.04 -4.43 117.44 115.68 3iaf n TRP 399 Ca 0.01 0.29 -0.00 0.00 -1.02 0.00 0.00 57.50 56.78 3iaf n TRP 399 Cb 0.18 -1.12 0.14 0.00 -2.42 0.00 0.00 31.31 28.09 3iaf n TRP 399 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3iaf h LEU 400 N -0.38 1.07 -1.47 -0.99 5.85 -1.25 -1.94 115.31 116.21 3iaf h LEU 400 Ca -0.43 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.39 3iaf h LEU 400 Cb 1.74 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 3iaf h LEU 400 CO -0.07 0.73 0.49 0.77 -0.34 0.00 0.00 178.44 180.03 3iaf h SER 401 N 1.24 0.52 0.99 1.25 4.64 -1.45 0.02 113.55 120.76 3iaf h SER 401 Ca 0.39 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3iaf h SER 401 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3iaf h SER 401 CO -0.12 0.30 0.00 -0.33 -0.87 0.00 0.00 176.83 175.80 3iaf h GLU 402 N 0.57 0.00 0.00 4.77 4.39 -1.56 -3.09 114.58 119.66 3iaf h GLU 402 Ca 0.35 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.78 3iaf h GLU 402 Cb 0.59 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 3iaf h GLU 402 CO -0.13 0.00 -2.10 1.33 -1.16 0.00 0.00 179.01 176.96 3iaf n VAL 403 N -2.87 1.01 -0.15 3.13 0.24 -0.39 -4.56 118.33 114.73 3iaf n VAL 403 Ca 0.01 -0.67 -0.06 0.00 -2.04 0.00 0.00 64.34 61.58 3iaf n VAL 403 Cb 0.30 -0.49 0.02 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.55 -6.24 7.34 2.86 -0.99 -3.39 114.93 115.06 3iaf h MET 404 Ca -0.40 -0.03 -0.65 0.00 -2.06 0.00 0.00 59.70 56.56 3iaf h MET 404 Cb 1.88 -0.12 0.02 0.00 0.06 0.00 0.00 31.60 33.44 3iaf h MET 404 CO 0.02 0.36 1.03 0.43 1.06 0.00 0.00 176.91 179.81 3iaf n SER 405 N -4.82 3.11 0.00 1.22 7.64 -1.17 -1.24 113.62 118.36 3iaf n SER 405 Ca 0.02 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.91 3iaf n SER 405 Cb 0.06 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 3iaf n SER 405 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3iaf n ARG 406 N 6.18 0.00 -3.87 1.43 0.63 -1.26 -5.01 116.66 114.76 3iaf n ARG 406 Ca 0.24 0.28 -0.12 0.00 -0.92 0.00 0.00 57.85 57.33 3iaf n ARG 406 Cb 0.24 -3.39 -0.13 0.00 0.45 0.00 0.00 32.46 29.64 3iaf n ARG 406 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3iaf s VAL 407 N -2.00 0.02 -0.47 5.15 1.01 -0.37 -5.15 120.40 118.60 3iaf s VAL 407 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 3iaf s VAL 407 Cb 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 36.38 36.33 3iaf s VAL 407 CO 0.00 -0.11 0.35 -0.54 0.00 0.00 0.00 175.10 174.80 3iaf s LYS 408 N -0.33 2.63 0.51 2.72 3.01 -1.26 -4.89 119.74 122.13 3iaf s LYS 408 Ca -0.04 -1.65 -0.16 0.00 -1.01 0.00 0.00 55.97 53.11 3iaf s LYS 408 Cb -0.03 -3.97 -0.08 0.00 -1.01 0.00 0.00 37.83 32.75 3iaf s LYS 408 CO 0.00 -1.14 0.97 -1.25 0.51 0.00 0.00 175.35 174.44 3iaf s PRO 409 N 1.44 3.94 0.13 -1.68 0.04 -1.26 -1.62 135.00 135.99 3iaf s PRO 409 Ca 0.04 0.92 -0.13 0.00 0.04 0.00 0.00 61.00 61.88 3iaf s PRO 409 Cb -0.26 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 3iaf s PRO 409 CO 0.01 -0.25 1.53 0.78 0.04 0.00 0.00 177.00 179.11 3iaf h GLY 410 N 0.95 0.89 -5.11 0.56 0.00 0.30 -3.42 103.07 97.24 3iaf h GLY 410 Ca -0.47 -0.75 -0.17 0.00 0.00 0.00 0.00 47.33 45.95 3iaf h GLY 410 CO 0.62 0.68 -0.51 -0.32 0.00 0.00 0.00 176.54 177.01 3iaf s GLY 411 N -3.53 -0.04 -0.36 4.60 0.00 -1.16 -4.93 107.32 101.89 3iaf s GLY 411 Ca -0.12 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.78 3iaf s GLY 411 CO 0.83 0.08 0.17 -0.12 0.00 0.00 0.00 173.10 174.06 3iaf s PHE 412 N -0.61 1.50 -0.11 1.90 5.36 -1.26 -0.44 117.98 124.32 3iaf s PHE 412 Ca -0.07 -1.88 -0.06 0.00 -0.96 0.00 0.00 56.93 53.96 3iaf s PHE 412 Cb -0.04 -1.56 -0.04 0.00 -0.34 0.00 0.00 43.02 41.04 3iaf s PHE 412 CO 0.01 -0.83 0.09 -0.51 -1.46 0.00 0.00 175.22 172.52 3iaf s LEU 413 N 1.12 4.11 0.00 6.12 1.43 -0.76 -4.44 118.68 126.27 3iaf s LEU 413 Ca 0.14 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 3iaf s LEU 413 Cb -0.21 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3iaf s LEU 413 CO -0.12 0.38 0.00 0.00 0.23 0.00 0.00 176.35 176.84 3iaf s HIS 415 N -5.39 3.65 0.00 0.00 3.76 -1.26 -4.99 115.29 111.06 3iaf s HIS 415 Ca 0.00 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.54 3iaf s HIS 415 Cb 0.00 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.47 3iaf s HIS 415 CO 0.00 -0.41 0.00 0.41 -0.85 0.00 0.00 174.74 173.89 3iaf n GLY 416 N 2.24 1.43 0.16 -2.22 0.00 -1.26 -4.91 105.19 100.63 3iaf n GLY 416 Ca 0.03 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.33 1.61 0.05 -1.93 -3.15 116.97 113.22 3iaf h TYR 417 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 3iaf h TYR 417 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3iaf h TYR 417 CO 0.00 0.00 -0.33 1.25 -1.05 0.00 0.00 178.16 178.03 3iaf h LEU 418 N 0.00 0.77 0.54 3.88 5.85 -1.91 -3.47 115.31 120.97 3iaf h LEU 418 Ca 0.00 -0.32 -0.40 0.00 0.84 0.00 0.00 57.88 58.00 3iaf h LEU 418 Cb 0.87 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 41.71 3iaf h LEU 418 CO 0.00 1.04 -0.61 0.61 -0.34 0.00 0.00 178.44 179.13 3iaf n GLY 419 N -0.06 -0.51 3.69 3.75 0.00 -1.19 -4.95 105.19 105.92 3iaf n GLY 419 Ca -0.01 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.81 7.09 0.25 1.61 0.15 -1.26 -5.03 113.70 113.69 3iaf s SER 420 Ca 0.39 1.33 -0.30 0.00 0.70 0.00 0.00 55.95 58.07 3iaf s SER 420 Cb -0.18 -2.49 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 3iaf s SER 420 CO 0.48 -0.36 1.05 -0.04 1.20 0.00 0.00 173.24 175.57 3iaf s MET 421 N 1.80 4.70 0.00 5.44 -1.94 -1.26 -3.72 119.30 124.32 3iaf s MET 421 Ca 0.43 1.69 0.00 0.00 -1.71 0.00 0.00 55.69 56.10 3iaf s MET 421 Cb -0.18 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.43 3iaf s MET 421 CO 0.16 0.28 0.00 0.41 -0.01 0.00 0.00 175.02 175.86 3iaf n GLY 422 N 1.43 0.38 0.24 -0.03 0.00 -1.25 -4.93 105.19 101.03 3iaf n GLY 422 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.17 3iaf n GLY 422 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3iaf h VAL 423 N 0.00 0.00 -0.05 1.61 -1.51 -1.87 -3.32 116.25 111.10 3iaf h VAL 423 Ca 0.00 -0.51 -0.08 0.00 -1.23 0.00 0.00 66.70 64.89 3iaf h VAL 423 Cb 0.00 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 3iaf h VAL 423 CO 0.00 0.00 -0.32 1.23 -1.23 0.00 0.00 177.57 177.25 3iaf h GLY 424 N 2.39 0.11 0.48 5.19 0.00 -1.87 -2.43 103.07 106.94 3iaf h GLY 424 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3iaf h GLY 424 CO 0.00 0.08 -0.10 -2.75 0.00 0.00 0.00 176.54 173.77 3iaf h PHE 425 N 0.09 -0.25 -0.52 5.60 3.04 -1.94 -1.24 116.94 121.72 3iaf h PHE 425 Ca 0.01 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.05 3iaf h PHE 425 Cb 0.61 0.08 -0.07 0.00 2.56 0.00 0.00 35.95 39.13 3iaf h PHE 425 CO 0.00 0.15 0.09 0.78 -2.02 0.00 0.00 178.31 177.31 3iaf h GLY 426 N -0.80 0.62 0.52 2.40 0.00 -1.79 -0.77 103.07 103.25 3iaf h GLY 426 Ca -0.03 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.34 3iaf h GLY 426 CO 0.05 -0.09 -0.05 -0.84 0.00 0.00 0.00 176.54 175.61 3iaf h THR 427 N 0.22 0.77 -0.31 4.70 2.02 -1.41 -1.19 112.91 117.71 3iaf h THR 427 Ca 0.26 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.33 3iaf h THR 427 Cb 0.37 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3iaf h THR 427 CO -0.35 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.28 3iaf h ALA 428 N 1.24 0.97 -0.27 6.16 0.00 -0.95 0.11 119.26 126.52 3iaf h ALA 428 Ca 0.12 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3iaf h ALA 428 Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3iaf h ALA 428 CO -0.25 0.60 0.15 1.25 0.00 0.00 0.00 179.25 181.01 3iaf h LEU 429 N 0.54 0.24 -0.45 0.00 5.85 -0.60 0.23 115.31 121.12 3iaf h LEU 429 Ca 0.07 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.62 3iaf h LEU 429 Cb 0.73 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3iaf h LEU 429 CO 0.06 0.18 -0.63 1.23 -0.34 0.00 0.00 178.44 178.93 3iaf h GLY 430 N 0.31 0.57 0.94 3.75 0.00 -1.13 -3.11 103.07 104.41 3iaf h GLY 430 Ca 0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3iaf h GLY 430 CO -0.05 0.65 0.16 0.00 0.00 0.00 0.00 176.54 177.29 3iaf h ALA 431 N 0.92 0.41 -0.82 3.60 0.00 -0.53 -2.48 119.26 120.36 3iaf h ALA 431 Ca -0.01 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3iaf h ALA 431 Cb 1.20 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3iaf h ALA 431 CO 0.12 -0.04 0.45 0.37 0.00 0.00 0.00 179.25 180.15 3iaf h GLN 432 N 0.38 0.69 -0.17 0.00 5.75 -0.59 0.75 115.11 121.92 3iaf h GLN 432 Ca 0.11 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 3iaf h GLN 432 Cb 0.11 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3iaf h GLN 432 CO -0.01 0.46 -0.02 0.28 -2.65 0.00 0.00 178.83 176.88 3iaf h VAL 433 N 0.71 0.85 -0.37 2.39 2.07 -1.43 0.61 116.25 121.08 3iaf h VAL 433 Ca 0.42 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.88 3iaf h VAL 433 Cb 0.48 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3iaf h VAL 433 CO -0.29 0.01 0.02 0.00 0.02 0.00 0.00 177.57 177.32 3iaf h ALA 434 N 1.16 1.34 0.00 1.67 0.00 -0.78 -2.70 119.26 119.95 3iaf h ALA 434 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iaf h ALA 434 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iaf h ALA 434 CO -0.16 0.45 0.00 -0.44 0.00 0.00 0.00 179.25 179.11 3iaf h ASP 435 N 0.56 0.00 0.53 0.00 3.32 0.12 -2.70 116.42 118.25 3iaf h ASP 435 Ca 0.12 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.91 3iaf h ASP 435 Cb 0.32 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.88 3iaf h ASP 435 CO 0.01 0.00 -1.16 0.25 -1.72 0.00 0.00 179.24 176.62 3iaf h LEU 436 N 0.00 0.47 -0.49 1.55 5.85 -0.56 0.37 115.31 122.50 3iaf h LEU 436 Ca 0.00 -0.46 -0.15 0.00 0.84 0.00 0.00 57.88 58.11 3iaf h LEU 436 Cb 0.66 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3iaf h LEU 436 CO 0.00 1.32 -0.70 1.05 -0.34 0.00 0.00 178.44 179.78 3iaf h GLU 437 N 0.12 0.00 0.00 1.25 4.11 -1.57 -3.15 114.58 115.33 3iaf h GLU 437 Ca -0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 3iaf h GLU 437 Cb 1.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.10 3iaf h GLU 437 CO 0.19 0.70 -0.11 0.00 0.07 0.00 0.00 179.01 179.86 3iaf h ALA 438 N 1.30 0.95 0.00 1.06 0.00 -1.31 -3.47 119.26 117.80 3iaf h ALA 438 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iaf h ALA 438 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3iaf h ALA 438 CO 0.09 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.88 3iaf n GLY 439 N 0.77 0.82 3.94 0.00 0.00 0.93 -5.05 105.19 106.59 3iaf n GLY 439 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.22 1.76 -0.02 1.61 0.52 0.78 -4.97 118.95 118.41 3iaf s ARG 440 Ca 0.00 -0.37 0.07 0.00 -0.52 0.00 0.00 55.73 54.91 3iaf s ARG 440 Cb 0.00 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 3iaf s ARG 440 CO 0.00 -1.57 -0.22 0.50 0.02 0.00 0.00 175.30 174.03 3iaf s ARG 441 N -5.41 1.90 -0.17 3.54 3.00 -0.55 -4.38 118.95 116.88 3iaf s ARG 441 Ca 0.64 -0.80 -0.06 0.00 -1.00 0.00 0.00 55.73 54.51 3iaf s ARG 441 Cb -0.08 -1.79 -0.04 0.00 0.00 0.00 0.00 34.95 33.04 3iaf s ARG 441 CO 0.47 0.45 0.04 0.99 0.00 0.00 0.00 175.30 177.25 3iaf s THR 442 N -0.44 4.59 -0.11 4.11 2.01 -1.26 -1.04 115.64 123.50 3iaf s THR 442 Ca 0.06 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.98 3iaf s THR 442 Cb -0.09 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.37 3iaf s THR 442 CO -0.00 0.47 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.57 3iaf s ILE 443 N 0.31 1.85 -0.26 1.82 1.01 -0.17 -2.46 121.20 123.30 3iaf s ILE 443 Ca 0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 3iaf s ILE 443 Cb -0.13 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3iaf s ILE 443 CO 0.01 0.51 0.10 -0.22 0.00 0.00 0.00 174.94 175.33 3iaf s LEU 444 N 0.67 3.62 -0.40 2.97 2.96 0.75 -1.01 118.68 128.24 3iaf s LEU 444 Ca -0.12 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 3iaf s LEU 444 Cb -0.16 -1.95 0.07 0.00 0.50 0.00 0.00 46.19 44.65 3iaf s LEU 444 CO 0.02 -0.07 0.22 -0.69 -1.32 0.00 0.00 176.35 174.52 3iaf s VAL 445 N 1.63 4.03 0.13 1.68 1.01 -0.37 0.59 120.40 129.10 3iaf s VAL 445 Ca 0.06 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 60.70 3iaf s VAL 445 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3iaf s VAL 445 CO 0.05 -0.45 -0.14 0.28 0.00 0.00 0.00 175.10 174.83 3iaf s THR 446 N 1.39 1.40 0.79 3.92 -1.32 0.01 -0.80 115.64 121.04 3iaf s THR 446 Ca 0.02 -1.78 -0.11 0.00 -1.21 0.00 0.00 61.69 58.61 3iaf s THR 446 Cb -0.22 -1.61 0.07 0.00 -1.51 0.00 0.00 72.50 69.23 3iaf s THR 446 CO 0.02 -0.43 1.09 -0.83 -2.21 0.00 0.00 174.62 172.26 3iaf s GLY 447 N -2.55 1.65 0.24 6.08 0.00 -1.21 -0.13 107.32 111.40 3iaf s GLY 447 Ca 0.11 0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.88 3iaf s GLY 447 CO 0.03 0.43 1.61 1.29 0.00 0.00 0.00 173.10 176.46 3iaf h ASP 448 N -1.14 0.45 0.03 1.64 2.03 -1.82 -2.57 116.42 115.05 3iaf h ASP 448 Ca -0.46 -0.21 -0.19 0.00 -0.73 0.00 0.00 57.03 55.44 3iaf h ASP 448 Cb 1.25 -0.13 0.02 0.00 -0.83 0.00 0.00 39.33 39.64 3iaf h ASP 448 CO 0.55 0.85 -0.77 1.23 -1.03 0.00 0.00 179.24 180.06 3iaf h GLY 449 N 1.16 0.52 1.64 7.15 0.00 -1.91 -3.32 103.07 108.31 3iaf h GLY 449 Ca 0.02 -0.98 0.04 0.00 0.00 0.00 0.00 47.33 46.42 3iaf h GLY 449 CO 0.08 0.86 0.16 1.76 0.00 0.00 0.00 176.54 179.40 3iaf h SER 450 N -0.03 0.11 1.01 0.19 0.02 -1.93 -2.52 113.55 110.41 3iaf h SER 450 Ca -0.11 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3iaf h SER 450 Cb 1.49 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 3iaf h SER 450 CO 0.15 0.07 -0.21 1.62 -1.14 0.00 0.00 176.83 177.32 3iaf h VAL 451 N 0.13 0.50 0.00 2.27 3.04 -1.56 -3.09 116.25 117.53 3iaf h VAL 451 Ca 0.10 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 3iaf h VAL 451 Cb 0.24 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 3iaf h VAL 451 CO -0.01 0.21 0.00 1.23 -1.01 0.00 0.00 177.57 177.98 3iaf h GLY 452 N 2.24 0.00 0.82 3.17 0.00 -1.61 -3.21 103.07 104.48 3iaf h GLY 452 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3iaf h GLY 452 CO 0.03 0.00 -0.25 -0.97 0.00 0.00 0.00 176.54 175.35 3iaf h TYR 453 N 0.00 -0.65 -1.56 5.60 -1.99 -1.71 -3.32 116.97 113.35 3iaf h TYR 453 Ca 0.00 -0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 3iaf h TYR 453 Cb 0.42 0.24 -0.41 0.00 2.00 0.00 0.00 36.73 38.98 3iaf h TYR 453 CO 0.00 -0.38 -0.88 0.45 -0.00 0.00 0.00 178.16 177.36 3iaf n SER 454 N -5.38 3.50 0.26 3.88 2.88 -1.24 -4.88 113.62 112.65 3iaf n SER 454 Ca -0.10 -3.39 0.16 0.00 -1.33 0.00 0.00 58.87 54.21 3iaf n SER 454 Cb 0.28 -0.51 0.57 0.00 -0.75 0.00 0.00 64.21 63.80 3iaf n SER 454 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3iaf h ILE 455 N 2.62 0.02 0.00 2.46 6.09 -1.66 -2.66 117.51 124.38 3iaf h ILE 455 Ca 0.15 -0.64 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3iaf h ILE 455 Cb 0.92 1.62 0.00 0.00 0.47 0.00 0.00 36.82 39.84 3iaf h ILE 455 CO 0.72 0.01 0.00 1.23 -3.07 0.00 0.00 178.15 177.04 3iaf h GLY 456 N 2.46 0.00 1.94 8.18 0.00 -1.90 -3.14 103.07 110.60 3iaf h GLY 456 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iaf h GLY 456 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 3iaf n GLU 457 N -2.79 0.01 0.11 4.80 -0.58 -1.00 -0.24 120.64 120.95 3iaf n GLU 457 Ca -0.00 0.40 0.01 0.00 -0.42 0.00 0.00 57.16 57.15 3iaf n GLU 457 Cb 0.21 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 29.92 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 0.25 -0.61 -0.32 -1.00 -1.80 0.14 116.94 113.60 3iaf h PHE 458 Ca 0.00 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 3iaf h PHE 458 Cb 0.07 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 3iaf h PHE 458 CO 0.00 0.43 0.32 0.22 -1.61 0.00 0.00 178.31 177.67 3iaf h ASP 459 N 0.21 0.78 -0.05 2.17 3.58 -0.89 -2.20 116.42 120.03 3iaf h ASP 459 Ca 0.04 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 3iaf h ASP 459 Cb 0.50 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 3iaf h ASP 459 CO 0.03 0.66 0.03 0.74 -2.88 0.00 0.00 179.24 177.82 3iaf h THR 460 N 0.83 1.06 -0.89 2.25 2.02 -1.48 0.16 112.91 116.86 3iaf h THR 460 Ca 0.21 -0.18 0.14 0.00 0.77 0.00 0.00 66.41 67.35 3iaf h THR 460 Cb 0.07 1.10 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 3iaf h THR 460 CO -0.03 0.05 0.58 -0.07 0.37 0.00 0.00 175.52 176.42 3iaf h LEU 461 N 0.00 0.68 0.21 2.58 4.07 -0.87 0.14 115.31 122.12 3iaf h LEU 461 Ca 0.02 0.04 -0.33 0.00 0.08 0.00 0.00 57.88 57.68 3iaf h LEU 461 Cb 0.06 -0.10 0.02 0.00 1.08 0.00 0.00 40.66 41.73 3iaf h LEU 461 CO -0.00 0.35 -1.58 0.58 -1.08 0.00 0.00 178.44 176.71 3iaf h VAL 462 N 0.73 1.10 -0.34 1.22 2.07 -1.20 0.17 116.25 119.99 3iaf h VAL 462 Ca 0.45 -2.57 -0.05 0.00 0.82 0.00 0.00 66.70 65.35 3iaf h VAL 462 Cb 0.67 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 3iaf h VAL 462 CO -0.21 0.82 0.02 0.03 0.02 0.00 0.00 177.57 178.26 3iaf h ARG 463 N 0.06 0.59 -0.01 1.57 3.08 -0.77 -3.06 114.38 115.85 3iaf h ARG 463 Ca -0.30 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3iaf h ARG 463 Cb 2.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.07 3iaf h ARG 463 CO 0.20 0.70 -0.17 1.63 -1.07 0.00 0.00 179.97 181.26 3iaf n LYS 464 N -4.54 0.88 -3.54 0.04 4.76 0.02 -4.96 118.16 110.82 3iaf n LYS 464 Ca -0.02 -0.45 -0.22 0.00 -2.87 0.00 0.00 58.31 54.75 3iaf n LYS 464 Cb 0.25 -1.49 0.05 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 -0.66 -3.07 -3.62 1.97 6.02 -0.91 -4.99 117.38 112.12 3iaf n GLN 465 Ca 0.14 0.66 -0.40 0.00 -0.01 0.00 0.00 57.00 57.39 3iaf n GLN 465 Cb 0.32 -5.10 -0.11 0.00 1.02 0.00 0.00 30.24 26.37 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 -6.20 4.87 -0.54 1.08 1.43 0.55 -4.99 118.68 114.88 3iaf s LEU 466 Ca 0.29 -1.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 3iaf s LEU 466 Cb -0.07 -1.99 -0.14 0.00 0.03 0.00 0.00 46.19 44.02 3iaf s LEU 466 CO 0.80 -0.45 2.64 -0.81 0.23 0.00 0.00 176.35 178.76 3iaf n PRO 467 N 4.94 2.04 -2.60 1.29 -0.04 -1.26 -4.09 135.00 135.28 3iaf n PRO 467 Ca -0.11 -1.19 -0.41 0.00 -0.04 0.00 0.00 63.50 61.75 3iaf n PRO 467 Cb 0.44 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.66 3iaf n PRO 467 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3iaf s LEU 468 N 0.06 4.55 -0.32 1.53 2.96 -1.26 -4.62 118.68 121.57 3iaf s LEU 468 Ca 0.50 2.05 -0.14 0.00 -0.22 0.00 0.00 54.13 56.32 3iaf s LEU 468 Cb 0.19 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 3iaf s LEU 468 CO -0.02 -0.07 0.30 -0.63 -1.32 0.00 0.00 176.35 174.60 3iaf s ILE 469 N -0.68 5.23 -0.77 6.68 1.01 -1.03 -1.95 121.20 129.69 3iaf s ILE 469 Ca 0.46 0.08 -0.13 0.00 0.00 0.00 0.00 60.65 61.05 3iaf s ILE 469 Cb -0.28 -3.72 0.20 0.00 0.01 0.00 0.00 42.46 38.67 3iaf s ILE 469 CO 0.35 0.03 0.70 -0.69 0.00 0.00 0.00 174.94 175.33 3iaf s VAL 470 N 1.90 5.40 -0.03 2.92 1.01 0.17 -0.18 120.40 131.59 3iaf s VAL 470 Ca 0.10 -2.37 -0.30 0.00 0.00 0.00 0.00 61.98 59.41 3iaf s VAL 470 Cb -0.17 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 3iaf s VAL 470 CO 0.11 -0.99 0.98 -0.63 0.00 0.00 0.00 175.10 174.57 3iaf s ILE 471 N 0.35 4.85 -0.28 2.22 1.01 0.20 -1.16 121.20 128.39 3iaf s ILE 471 Ca 0.16 2.05 -0.02 0.00 0.00 0.00 0.00 60.65 62.83 3iaf s ILE 471 Cb -0.14 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 38.06 3iaf s ILE 471 CO -0.07 0.12 -0.02 -0.63 0.00 0.00 0.00 174.94 174.35 3iaf s ILE 472 N 1.27 2.96 -0.82 2.92 1.01 -0.43 -0.81 121.20 127.29 3iaf s ILE 472 Ca 0.51 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 3iaf s ILE 472 Cb -0.20 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.65 3iaf s ILE 472 CO 0.25 -0.02 1.39 -0.32 0.00 0.00 0.00 174.94 176.25 3iaf s MET 473 N 1.28 3.26 -0.41 2.79 1.75 0.82 -1.22 119.30 127.57 3iaf s MET 473 Ca -0.04 -0.46 -0.13 0.00 -1.25 0.00 0.00 55.69 53.81 3iaf s MET 473 Cb -0.19 -4.58 0.03 0.00 2.84 0.00 0.00 34.83 32.93 3iaf s MET 473 CO -0.02 -2.24 0.28 1.21 -0.65 0.00 0.00 175.02 173.60 3iaf s ASN 474 N 4.53 5.97 -0.26 1.11 2.47 0.52 -2.96 114.94 126.32 3iaf s ASN 474 Ca 0.41 -1.04 0.10 0.00 0.42 0.00 0.00 52.86 52.75 3iaf s ASN 474 Cb -0.06 -2.11 0.47 0.00 -1.45 0.00 0.00 41.25 38.10 3iaf s ASN 474 CO 0.07 -0.47 1.36 -0.46 -3.72 0.00 0.00 177.10 173.89 3iaf n ASN 475 N 5.10 2.14 -2.44 -4.21 0.23 -1.26 -0.27 115.26 114.55 3iaf n ASN 475 Ca -0.11 -3.84 -0.09 0.00 -0.53 0.00 0.00 54.58 50.01 3iaf n ASN 475 Cb 0.46 -0.59 -0.00 0.00 -2.08 0.00 0.00 39.78 37.56 3iaf n ASN 475 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iaf n GLN 476 N -1.12 -2.44 -3.46 -3.83 6.02 -1.26 -4.82 117.38 106.47 3iaf n GLN 476 Ca 0.27 0.42 -0.11 0.00 -0.01 0.00 0.00 57.00 57.57 3iaf n GLN 476 Cb 0.89 -4.99 -0.03 0.00 1.02 0.00 0.00 30.24 27.14 3iaf n GLN 476 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3iaf s SER 477 N -2.02 -0.51 -0.30 1.08 1.04 -1.26 -1.26 113.70 110.46 3iaf s SER 477 Ca 0.00 0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.24 3iaf s SER 477 Cb 0.00 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 3iaf s SER 477 CO 0.00 -0.80 1.65 0.26 0.98 0.00 0.00 173.24 175.33 3iaf s TRP 478 N -3.15 2.04 -0.08 5.02 0.52 -0.62 -4.40 118.94 118.28 3iaf s TRP 478 Ca 0.01 0.61 -0.05 0.00 0.02 0.00 0.00 56.10 56.68 3iaf s TRP 478 Cb -0.01 -4.11 -0.03 0.00 -1.15 0.00 0.00 33.47 28.17 3iaf s TRP 478 CO -0.09 -2.74 0.22 0.78 0.02 0.00 0.00 176.95 175.14 3iaf h GLY 479 N 12.62 -0.19 2.00 0.98 0.00 -1.94 -2.36 103.07 114.18 3iaf h GLY 479 Ca -0.32 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 3iaf h GLY 479 CO 1.03 -0.07 -0.35 0.00 0.00 0.00 0.00 176.54 177.15 3iaf h ALA 480 N -1.08 1.18 0.00 3.60 0.00 -1.95 0.22 119.26 121.24 3iaf h ALA 480 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3iaf h ALA 480 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iaf h ALA 480 CO 0.03 0.44 -0.46 0.25 0.00 0.00 0.00 179.25 179.51 3iaf n THR 481 N -3.78 0.25 0.03 0.00 -2.24 -1.26 -1.29 114.28 105.99 3iaf n THR 481 Ca -0.01 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 3iaf n THR 481 Cb 0.43 -0.12 -0.14 0.00 -2.10 0.00 0.00 70.33 68.40 3iaf n THR 481 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3iaf h LEU 482 N 0.00 0.44 -0.52 3.22 6.46 -1.07 -3.28 115.31 120.56 3iaf h LEU 482 Ca 0.00 -0.89 0.09 0.00 -0.12 0.00 0.00 57.88 56.95 3iaf h LEU 482 Cb 0.66 -0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 40.34 3iaf h LEU 482 CO 0.00 1.54 -0.39 0.45 -0.62 0.00 0.00 178.44 179.41 3iaf h HIS 483 N -0.31 -1.13 -0.98 1.25 3.86 -0.94 -2.45 115.15 114.45 3iaf h HIS 483 Ca -0.24 0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.08 3iaf h HIS 483 Cb 1.74 0.57 -0.06 0.00 1.06 0.00 0.00 27.41 30.72 3iaf h HIS 483 CO 0.15 -0.41 0.64 0.35 0.86 0.00 0.00 177.93 179.52 3iaf h PHE 484 N -0.24 1.20 -0.10 2.45 3.04 -1.35 -1.33 116.94 120.62 3iaf h PHE 484 Ca 0.18 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 3iaf h PHE 484 Cb 0.56 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 3iaf h PHE 484 CO -0.65 0.69 -0.07 1.96 -2.02 0.00 0.00 178.31 178.23 3iaf h GLN 485 N 1.24 0.15 0.02 1.11 4.20 -1.50 -1.15 115.11 119.18 3iaf h GLN 485 Ca 0.39 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.08 3iaf h GLN 485 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3iaf h GLN 485 CO -0.12 0.23 -0.01 1.96 -0.67 0.00 0.00 178.83 180.21 3iaf h GLN 486 N 0.15 -0.03 0.00 1.46 4.20 -1.01 -2.51 115.11 117.37 3iaf h GLN 486 Ca 0.03 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 3iaf h GLN 486 Cb 0.22 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3iaf h GLN 486 CO 0.01 0.69 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.49 3iaf h LEU 487 N -0.93 0.00 0.00 1.46 4.07 -1.14 -2.79 115.31 115.98 3iaf h LEU 487 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3iaf h LEU 487 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 3iaf h LEU 487 CO 0.00 0.31 -0.21 0.00 -1.08 0.00 0.00 178.44 177.46 3iaf n ALA 488 N -2.20 2.48 -0.52 1.53 0.00 -0.45 -4.89 120.51 116.46 3iaf n ALA 488 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3iaf n ALA 488 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.11 0.00 -3.61 0.00 0.31 -1.22 -5.05 118.33 107.66 3iaf n VAL 489 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3iaf n VAL 489 Cb 0.06 -0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 32.22 3iaf n VAL 489 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3iaf s GLY 490 N -2.49 -0.13 0.35 2.92 0.00 -0.95 -5.02 107.32 102.00 3iaf s GLY 490 Ca 0.00 2.22 0.26 0.00 0.00 0.00 0.00 44.72 47.19 3iaf s GLY 490 CO 0.00 0.91 1.78 -2.55 0.00 0.00 0.00 173.10 173.25 3iaf h PRO 491 N 2.19 0.00 -0.26 2.90 0.11 -1.81 -2.10 132.00 133.03 3iaf h PRO 491 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3iaf h PRO 491 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3iaf h PRO 491 CO 0.25 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.31 3iaf n ASN 492 N -2.42 3.67 -0.65 -2.05 0.23 -1.26 -4.67 115.26 108.12 3iaf n ASN 492 Ca 0.00 -2.85 0.05 0.00 -0.53 0.00 0.00 54.58 51.25 3iaf n ASN 492 Cb 0.15 -0.49 0.20 0.00 -2.08 0.00 0.00 39.78 37.56 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 -0.38 1.63 -3.30 -3.83 5.12 -0.79 -5.00 116.66 110.11 3iaf n ARG 493 Ca 0.19 -3.17 -0.40 0.00 -1.93 0.00 0.00 57.85 52.54 3iaf n ARG 493 Cb 0.81 -1.65 -0.08 0.00 -1.16 0.00 0.00 32.46 30.37 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 -3.18 5.10 -0.01 1.55 -7.23 -1.26 -4.86 120.40 110.50 3iaf s VAL 494 Ca 0.39 0.61 0.01 0.00 -1.81 0.00 0.00 61.98 61.17 3iaf s VAL 494 Cb 0.36 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 33.50 3iaf s VAL 494 CO -0.04 0.04 -0.01 0.42 -0.31 0.00 0.00 175.10 175.20 3iaf s THR 495 N 2.23 0.15 0.00 5.32 -4.23 -1.26 -4.92 115.64 112.94 3iaf s THR 495 Ca 0.18 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3iaf s THR 495 Cb -0.16 -0.18 0.00 0.00 1.34 0.00 0.00 72.50 73.50 3iaf s THR 495 CO 0.10 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 3iaf n GLY 496 N 3.47 0.77 0.00 3.99 0.00 -1.26 -4.94 105.19 107.22 3iaf n GLY 496 Ca -0.18 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.97 0.00 -2.17 2.61 -2.24 -1.26 -4.96 114.28 103.28 3iaf n THR 497 Ca 0.00 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 3iaf n THR 497 Cb 0.49 1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 70.24 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 -0.05 3.87 -0.13 -0.78 1.81 -1.26 -1.59 118.95 120.82 3iaf s ARG 498 Ca 0.00 1.63 0.15 0.00 -1.72 0.00 0.00 55.73 55.79 3iaf s ARG 498 Cb 0.00 -3.99 0.35 0.00 -0.45 0.00 0.00 34.95 30.86 3iaf s ARG 498 CO 0.00 -1.20 1.17 1.28 -0.68 0.00 0.00 175.30 175.87 3iaf n LEU 499 N 8.11 2.05 -4.16 2.53 4.77 -0.39 -4.92 117.00 124.98 3iaf n LEU 499 Ca 0.18 -3.07 -0.34 0.00 -0.03 0.00 0.00 56.01 52.75 3iaf n LEU 499 Cb 0.45 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3iaf n LEU 499 CO 0.64 0.95 1.69 -0.62 -1.33 0.00 0.00 177.39 178.73 3iaf n GLU 500 N -0.80 1.36 -3.60 3.23 1.02 -0.52 -4.44 120.64 116.89 3iaf n GLU 500 Ca 0.14 -2.10 -0.05 0.00 -0.02 0.00 0.00 57.16 55.14 3iaf n GLU 500 Cb 0.76 -3.37 -0.03 0.00 -0.02 0.00 0.00 31.44 28.78 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 6.11 -0.14 0.03 1.62 2.47 -1.26 -5.13 114.94 118.65 3iaf s ASN 501 Ca 0.65 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.99 3iaf s ASN 501 Cb 0.06 0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.99 3iaf s ASN 501 CO 0.15 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 3iaf n GLY 502 N 0.13 -3.86 3.55 1.21 0.00 -1.26 -4.83 105.19 100.14 3iaf n GLY 502 Ca -0.01 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3iaf n GLY 502 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iaf s SER 503 N -0.12 6.26 0.43 1.61 1.04 -1.26 -4.85 113.70 116.82 3iaf s SER 503 Ca 0.00 -0.89 0.15 0.00 0.48 0.00 0.00 55.95 55.69 3iaf s SER 503 Cb 0.00 -2.56 1.04 0.00 0.10 0.00 0.00 66.02 64.60 3iaf s SER 503 CO 0.00 -1.73 1.95 1.88 0.98 0.00 0.00 173.24 176.32 3iaf h TYR 504 N 10.09 0.46 0.00 5.02 0.05 -2.00 0.30 116.97 130.89 3iaf h TYR 504 Ca -0.05 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3iaf h TYR 504 Cb 1.03 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.63 3iaf h TYR 504 CO 1.20 0.20 -0.07 1.12 -1.05 0.00 0.00 178.16 179.55 3iaf h HIS 505 N 0.41 0.00 -0.10 4.88 2.07 -1.88 -2.93 115.15 117.60 3iaf h HIS 505 Ca 0.32 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.65 3iaf h HIS 505 Cb 0.70 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.69 3iaf h HIS 505 CO -0.00 0.07 -0.71 0.78 -3.07 0.00 0.00 177.93 175.00 3iaf h GLY 506 N 1.36 0.72 0.99 6.13 0.00 -0.79 -2.53 103.07 108.94 3iaf h GLY 506 Ca -0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 47.33 46.21 3iaf h GLY 506 CO 0.01 0.95 0.17 -2.08 0.00 0.00 0.00 176.54 175.59 3iaf h VAL 507 N 0.30 1.24 -0.59 4.60 2.07 -1.43 0.16 116.25 122.59 3iaf h VAL 507 Ca -0.06 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 3iaf h VAL 507 Cb 1.35 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3iaf h VAL 507 CO 0.14 0.30 -0.02 0.00 0.02 0.00 0.00 177.57 178.02 3iaf h ALA 508 N 1.04 0.85 -0.19 1.67 0.00 -1.60 -1.24 119.26 119.78 3iaf h ALA 508 Ca 0.18 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3iaf h ALA 508 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iaf h ALA 508 CO -0.01 0.67 -0.24 0.00 0.00 0.00 0.00 179.25 179.68 3iaf h ALA 509 N 1.01 1.25 0.00 0.00 0.00 -1.26 -2.39 119.26 117.86 3iaf h ALA 509 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3iaf h ALA 509 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3iaf h ALA 509 CO 0.03 0.50 -0.22 0.00 0.00 0.00 0.00 179.25 179.56 3iaf h ALA 510 N 1.44 1.09 -0.01 0.00 0.00 0.08 -1.79 119.26 120.07 3iaf h ALA 510 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iaf h ALA 510 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iaf h ALA 510 CO 0.04 0.27 -0.00 1.19 0.00 0.00 0.00 179.25 180.75 3iaf n PHE 511 N -3.48 0.00 -0.49 0.00 3.72 -0.54 -4.94 117.46 111.73 3iaf n PHE 511 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3iaf n PHE 511 Cb 0.39 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 1.11 1.14 3.67 1.37 0.00 -0.67 -4.69 105.19 107.13 3iaf n GLY 512 Ca 0.21 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 3.29 0.16 4.61 0.00 -0.92 -4.97 121.76 121.93 3iaf s ALA 513 Ca 0.00 -1.86 -0.31 0.00 0.00 0.00 0.00 51.96 49.78 3iaf s ALA 513 Cb 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 23.12 22.45 3iaf s ALA 513 CO 0.00 0.09 1.80 -0.51 0.00 0.00 0.00 175.76 177.14 3iaf s ASP 514 N -3.75 6.39 -0.15 0.00 -0.00 -0.87 -3.76 116.67 114.53 3iaf s ASP 514 Ca 0.35 2.82 0.02 0.00 -0.00 0.00 0.00 52.55 55.74 3iaf s ASP 514 Cb -0.02 -2.58 0.01 0.00 -0.00 0.00 0.00 42.92 40.33 3iaf s ASP 514 CO 0.21 -1.00 -0.21 -0.83 -0.00 0.00 0.00 175.17 173.34 3iaf s GLY 515 N 2.09 1.38 -0.02 0.21 0.00 -1.26 0.20 107.32 109.92 3iaf s GLY 515 Ca 0.79 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 44.40 3iaf s GLY 515 CO 0.35 0.07 -0.08 -0.19 0.00 0.00 0.00 173.10 173.25 3iaf s TYR 516 N 0.97 0.89 -0.13 1.90 2.02 0.38 -4.99 117.35 118.39 3iaf s TYR 516 Ca -0.03 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3iaf s TYR 516 Cb -0.15 -0.64 -0.00 0.00 -0.40 0.00 0.00 41.96 40.77 3iaf s TYR 516 CO -0.05 -0.10 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.07 3iaf s HIS 517 N 0.22 2.70 0.10 2.71 5.65 -1.26 0.47 115.29 125.88 3iaf s HIS 517 Ca -0.03 -0.96 0.00 0.00 0.25 0.00 0.00 55.06 54.32 3iaf s HIS 517 Cb -0.08 -1.81 -0.04 0.00 -1.18 0.00 0.00 32.58 29.47 3iaf s HIS 517 CO 0.00 -0.39 -0.02 0.14 -0.65 0.00 0.00 174.74 173.82 3iaf s VAL 518 N 0.51 0.43 0.00 0.89 -7.23 0.24 -4.97 120.40 110.26 3iaf s VAL 518 Ca -0.12 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3iaf s VAL 518 Cb -0.16 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.03 3iaf s VAL 518 CO 0.05 -0.80 0.00 -0.90 -0.31 0.00 0.00 175.10 173.14 3iaf n ASP 519 N -0.03 0.53 -4.88 4.85 3.85 -1.26 -1.84 116.55 117.77 3iaf n ASP 519 Ca -0.11 0.00 -0.27 0.00 -0.71 0.00 0.00 54.79 53.70 3iaf n ASP 519 Cb 0.62 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.34 3iaf n ASP 519 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3iaf s SER 520 N -4.34 6.03 0.47 -1.12 0.15 -1.26 -4.68 113.70 108.94 3iaf s SER 520 Ca 0.00 0.08 0.35 0.00 0.70 0.00 0.00 55.95 57.08 3iaf s SER 520 Cb 0.00 -1.74 1.51 0.00 -1.71 0.00 0.00 66.02 64.08 3iaf s SER 520 CO 0.00 0.09 1.61 0.58 1.20 0.00 0.00 173.24 176.72 3iaf h VAL 521 N 1.91 0.09 0.12 4.45 2.07 -1.97 0.65 116.25 123.58 3iaf h VAL 521 Ca -0.48 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3iaf h VAL 521 Cb 1.19 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3iaf h VAL 521 CO 0.68 0.01 -0.06 -0.08 0.02 0.00 0.00 177.57 178.14 3iaf h GLU 522 N 0.05 -0.16 -0.59 1.57 4.81 -1.98 -1.87 114.58 116.41 3iaf h GLU 522 Ca 0.84 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 60.05 3iaf h GLU 522 Cb 2.85 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 32.24 3iaf h GLU 522 CO -0.32 0.27 0.24 1.03 -0.73 0.00 0.00 179.01 179.50 3iaf h SER 523 N -0.66 0.81 0.34 1.04 0.87 -1.12 -3.16 113.55 111.67 3iaf h SER 523 Ca -0.02 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3iaf h SER 523 Cb 0.50 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3iaf h SER 523 CO 0.03 0.75 -0.16 0.15 -0.53 0.00 0.00 176.83 177.07 3iaf h PHE 524 N 0.81 -0.42 0.00 2.24 3.57 0.10 -1.53 116.94 121.72 3iaf h PHE 524 Ca 0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3iaf h PHE 524 Cb 0.20 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3iaf h PHE 524 CO 0.01 -0.26 0.00 -1.13 -2.23 0.00 0.00 178.31 174.70 3iaf n SER 525 N -3.55 0.00 -0.01 0.41 3.41 -0.71 -0.48 113.62 112.69 3iaf n SER 525 Ca -0.06 0.49 -0.20 0.00 -0.26 0.00 0.00 58.87 58.84 3iaf n SER 525 Cb 0.18 -0.49 -0.14 0.00 -0.26 0.00 0.00 64.21 63.50 3iaf n SER 525 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaf h ALA 526 N 2.17 0.10 -0.84 7.33 0.00 -1.50 -2.36 119.26 124.16 3iaf h ALA 526 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 3iaf h ALA 526 Cb 0.08 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3iaf h ALA 526 CO 0.00 0.57 0.48 0.00 0.00 0.00 0.00 179.25 180.31 3iaf h ALA 527 N -0.07 1.27 0.49 0.00 0.00 0.11 -1.10 119.26 119.96 3iaf h ALA 527 Ca -0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3iaf h ALA 527 Cb 1.55 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3iaf h ALA 527 CO 0.03 0.61 -0.24 1.25 0.00 0.00 0.00 179.25 180.91 3iaf h LEU 528 N 1.16 -0.56 -0.99 0.00 5.85 -0.92 -1.35 115.31 118.50 3iaf h LEU 528 Ca 0.30 -0.07 0.25 0.00 0.84 0.00 0.00 57.88 59.19 3iaf h LEU 528 Cb -0.01 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.03 3iaf h LEU 528 CO -0.05 -0.18 0.58 0.00 -0.34 0.00 0.00 178.44 178.44 3iaf h ALA 529 N -0.73 1.78 0.54 1.25 0.00 -1.32 -1.48 119.26 119.31 3iaf h ALA 529 Ca -0.07 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3iaf h ALA 529 Cb 0.60 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3iaf h ALA 529 CO 0.11 -0.30 -0.26 1.96 0.00 0.00 0.00 179.25 180.76 3iaf h GLN 530 N 0.54 -0.70 -0.60 0.00 4.20 -1.15 -2.78 115.11 114.62 3iaf h GLN 530 Ca 0.65 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.58 3iaf h GLN 530 Cb 1.25 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.17 3iaf h GLN 530 CO -0.49 -0.47 0.55 0.00 -0.67 0.00 0.00 178.83 177.74 3iaf h ALA 531 N -1.36 2.41 0.42 3.87 0.00 -0.78 -0.35 119.26 123.47 3iaf h ALA 531 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3iaf h ALA 531 Cb 0.56 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iaf h ALA 531 CO 0.12 -0.85 -0.20 -0.07 0.00 0.00 0.00 179.25 178.25 3iaf h LEU 532 N 0.00 -0.48 -1.85 0.00 -0.00 -1.32 -3.30 115.31 108.36 3iaf h LEU 532 Ca 0.29 -0.08 0.09 0.00 -0.00 0.00 0.00 57.88 58.18 3iaf h LEU 532 Cb 1.37 0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 42.13 3iaf h LEU 532 CO -0.00 -0.06 0.30 0.00 -0.00 0.00 0.00 178.44 178.68 3iaf h ALA 533 N -0.83 2.18 -1.91 1.53 0.00 -0.83 -3.37 119.26 116.03 3iaf h ALA 533 Ca -0.06 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 3iaf h ALA 533 Cb 0.53 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3iaf h ALA 533 CO 0.10 -0.29 0.85 -1.01 0.00 0.00 0.00 179.25 178.90 3iaf s HIS 534 N -5.19 3.07 -1.45 0.00 3.76 -0.35 -4.95 115.29 110.19 3iaf s HIS 534 Ca -0.06 1.06 -0.14 0.00 -0.15 0.00 0.00 55.06 55.77 3iaf s HIS 534 Cb 0.19 -3.86 0.05 0.00 1.11 0.00 0.00 32.58 30.07 3iaf s HIS 534 CO 0.72 -0.88 2.19 -1.71 -0.85 0.00 0.00 174.74 174.22 3iaf n ASN 535 N 7.08 3.97 -3.64 1.40 5.15 -1.26 -4.84 115.26 123.12 3iaf n ASN 535 Ca 0.12 -2.85 -0.13 0.00 -0.60 0.00 0.00 54.58 51.11 3iaf n ASN 535 Cb 0.48 -1.66 -0.06 0.00 -0.53 0.00 0.00 39.78 38.01 3iaf n ASN 535 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3iaf s ARG 536 N 3.12 0.94 0.34 1.20 3.52 -1.26 -4.88 118.95 121.93 3iaf s ARG 536 Ca 0.47 -0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.50 3iaf s ARG 536 Cb 0.13 0.42 -0.12 0.00 -1.56 0.00 0.00 34.95 33.83 3iaf s ARG 536 CO -0.08 -0.32 1.36 -0.35 -0.81 0.00 0.00 175.30 175.10 3iaf n PRO 537 N 0.54 2.29 -3.81 5.12 -0.04 -1.26 -4.60 135.00 133.24 3iaf n PRO 537 Ca -0.19 0.80 -0.12 0.00 -0.04 0.00 0.00 63.50 63.95 3iaf n PRO 537 Cb 0.60 -2.44 -0.11 0.00 -0.04 0.00 0.00 33.50 31.51 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 -0.98 -0.55 -0.17 0.55 0.00 -0.82 -2.04 121.76 117.74 3iaf s ALA 538 Ca 0.56 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.88 3iaf s ALA 538 Cb -0.55 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.44 3iaf s ALA 538 CO 0.61 -0.17 -0.17 0.00 0.00 0.00 0.00 175.76 176.03 3iaf s ILE 540 N 1.07 3.48 0.08 0.00 1.01 -0.31 -0.47 121.20 126.07 3iaf s ILE 540 Ca -0.01 -2.64 -0.31 0.00 0.00 0.00 0.00 60.65 57.70 3iaf s ILE 540 Cb -0.14 -3.32 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 3iaf s ILE 540 CO -0.06 -0.80 1.35 0.21 0.00 0.00 0.00 174.94 175.64 3iaf s ASN 541 N 1.06 6.89 -0.25 3.58 3.84 0.18 -1.31 114.94 128.92 3iaf s ASN 541 Ca 0.14 2.22 -0.00 0.00 0.21 0.00 0.00 52.86 55.42 3iaf s ASN 541 Cb -0.21 -2.58 0.07 0.00 -0.55 0.00 0.00 41.25 37.98 3iaf s ASN 541 CO -0.04 -0.63 0.01 -0.69 -2.79 0.00 0.00 177.10 172.96 3iaf s VAL 542 N 1.35 1.21 -0.04 -5.21 1.01 -0.36 -0.60 120.40 117.77 3iaf s VAL 542 Ca 0.63 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3iaf s VAL 542 Cb -0.34 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 3iaf s VAL 542 CO 0.29 -0.28 1.54 0.00 0.00 0.00 0.00 175.10 176.65 3iaf s ALA 543 N 1.52 3.62 0.03 5.51 0.00 -0.77 -0.35 121.76 131.32 3iaf s ALA 543 Ca -0.00 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3iaf s ALA 543 Cb -0.18 -3.68 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 3iaf s ALA 543 CO -0.10 -1.21 -0.06 0.08 0.00 0.00 0.00 175.76 174.47 3iaf s VAL 544 N 3.36 0.36 0.34 0.00 1.01 0.63 -4.70 120.40 121.41 3iaf s VAL 544 Ca 0.69 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 3iaf s VAL 544 Cb -0.32 -0.45 -0.12 0.00 0.00 0.00 0.00 36.38 35.49 3iaf s VAL 544 CO 0.27 -0.38 1.43 0.00 0.00 0.00 0.00 175.10 176.43 3iaf n ALA 545 N 1.66 1.95 -0.09 5.51 0.00 -1.23 -4.26 120.51 124.06 3iaf n ALA 545 Ca -0.22 0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 3iaf n ALA 545 Cb 0.55 -2.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.50 3iaf n ALA 545 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3iaf n LEU 546 N 0.94 0.00 -0.19 0.00 7.94 -1.26 -4.69 117.00 119.74 3iaf n LEU 546 Ca 0.04 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.87 3iaf n LEU 546 Cb 0.37 0.42 0.03 0.00 0.53 0.00 0.00 43.42 44.77 3iaf n LEU 546 CO 0.63 0.42 1.07 0.44 -1.11 0.00 0.00 177.39 178.84 3iaf h ASP 547 N 0.00 0.66 -2.52 1.96 5.19 -1.98 -3.45 116.42 116.28 3iaf h ASP 547 Ca -0.47 -0.06 -0.57 0.00 -0.62 0.00 0.00 57.03 55.31 3iaf h ASP 547 Cb 2.06 -0.17 0.07 0.00 0.18 0.00 0.00 39.33 41.47 3iaf h ASP 547 CO 0.03 0.53 0.79 -2.65 -3.12 0.00 0.00 179.24 174.82 3iaf n PRO 548 N -4.65 2.26 -2.82 3.56 -0.02 -1.26 -4.96 135.00 127.11 3iaf n PRO 548 Ca 0.03 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 3iaf n PRO 548 Cb 0.06 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 30.94 3iaf n PRO 548 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3iaf s ILE 549 N 0.62 4.83 0.17 4.25 1.01 -1.26 -5.05 121.20 125.77 3iaf s ILE 549 Ca 0.74 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.85 3iaf s ILE 549 Cb -0.63 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 37.57 3iaf s ILE 549 CO 0.41 -0.01 1.19 -2.16 0.00 0.00 0.00 174.94 174.37 3iaf s PRO 550 N 2.29 4.49 0.66 2.79 0.04 -1.26 -4.95 135.00 139.06 3iaf s PRO 550 Ca 0.41 1.85 0.38 0.00 0.04 0.00 0.00 61.00 63.68 3iaf s PRO 550 Cb -0.17 -3.26 2.09 0.00 0.04 0.00 0.00 34.50 33.21 3iaf s PRO 550 CO 0.12 -0.10 2.20 -1.00 0.04 0.00 0.00 177.00 178.26 3iaf h PRO 551 N 5.47 0.00 -0.67 0.56 0.13 -1.97 -3.19 132.00 132.33 3iaf h PRO 551 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3iaf h PRO 551 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3iaf h PRO 551 CO 0.75 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 3iaf n GLU 552 N -3.11 0.51 0.00 0.86 -0.58 -1.26 -3.00 120.64 114.06 3iaf n GLU 552 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3iaf n GLU 552 Cb 0.20 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 3iaf n GLU 552 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3iaf n GLU 553 N 0.33 0.86 -0.38 3.49 2.13 -1.21 -4.85 120.64 121.00 3iaf n GLU 553 Ca 0.00 -0.31 0.36 0.00 0.66 0.00 0.00 57.16 57.86 3iaf n GLU 553 Cb 0.15 -0.79 0.71 0.00 0.27 0.00 0.00 31.44 31.78 3iaf n GLU 553 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3iaf h LEU 554 N 0.00 0.10 0.00 4.31 6.46 -1.83 -3.53 115.31 120.83 3iaf h LEU 554 Ca 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3iaf h LEU 554 Cb 0.06 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3iaf h LEU 554 CO 0.00 -0.00 0.00 -0.38 -0.62 0.00 0.00 178.44 177.44