#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifx h MET 2 N 0.00 0.00 0.10 -1.46 2.07 -2.02 -0.49 114.93 113.13 1ifx h MET 2 Ca 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1ifx h MET 2 Cb 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1ifx h MET 2 CO 0.00 0.78 -0.05 0.37 1.07 0.00 0.00 176.91 179.09 1ifx h GLN 3 N 0.00 -0.13 -0.41 1.72 4.15 -1.98 -0.97 115.11 117.49 1ifx h GLN 3 Ca -0.01 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ifx h GLN 3 Cb 1.41 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.10 1ifx h GLN 3 CO 0.10 -0.00 0.27 1.49 -1.93 0.00 0.00 178.83 178.76 1ifx h GLU 4 N -0.22 0.54 -0.30 1.69 4.81 -1.91 -2.18 114.58 117.00 1ifx h GLU 4 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ifx h GLU 4 Cb 0.18 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1ifx h GLU 4 CO 0.02 0.36 0.18 -0.22 -0.73 0.00 0.00 179.01 178.62 1ifx h LYS 5 N 0.55 0.40 -0.47 1.92 3.64 -0.83 -1.97 116.57 119.82 1ifx h LYS 5 Ca 0.15 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1ifx h LYS 5 Cb -0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1ifx h LYS 5 CO -0.03 0.30 -0.01 0.82 -2.27 0.00 0.00 179.45 178.25 1ifx h ILE 6 N 0.39 1.26 -0.83 2.00 2.04 -1.15 -1.89 117.51 119.33 1ifx h ILE 6 Ca 0.11 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 64.97 1ifx h ILE 6 Cb -0.00 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 1ifx h ILE 6 CO -0.02 0.38 0.49 -0.03 0.00 0.00 0.00 178.15 178.97 1ifx h MET 7 N 0.69 0.83 -0.07 2.37 4.05 -1.27 -0.23 114.93 121.30 1ifx h MET 7 Ca 0.13 -0.05 -0.23 0.00 -0.28 0.00 0.00 59.70 59.27 1ifx h MET 7 Cb 0.53 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1ifx h MET 7 CO 0.03 0.55 -0.89 0.00 0.23 0.00 0.00 176.91 176.82 1ifx h ARG 8 N 0.85 0.65 0.00 0.39 3.08 -1.18 -1.80 114.38 116.37 1ifx h ARG 8 Ca 0.39 -0.61 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1ifx h ARG 8 Cb 0.29 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1ifx h ARG 8 CO -0.22 1.22 -0.20 0.93 -1.07 0.00 0.00 179.97 180.63 1ifx h GLU 9 N 0.41 0.00 -0.04 0.04 5.08 -0.95 -2.84 114.58 116.28 1ifx h GLU 9 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ifx h GLU 9 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1ifx h GLU 9 CO 0.17 0.20 0.00 1.28 -1.00 0.00 0.00 179.01 179.66 1ifx n LEU 10 N -3.37 2.69 -2.20 1.33 4.77 -0.13 -4.99 117.00 115.10 1ifx n LEU 10 Ca 0.00 -0.91 -0.18 0.00 -0.03 0.00 0.00 56.01 54.89 1ifx n LEU 10 Cb 0.41 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ifx n LEU 10 CO 0.33 0.46 -0.16 1.41 -1.33 0.00 0.00 177.39 178.09 1ifx n HIS 11 N 1.10 -1.09 -3.06 -1.77 8.25 -0.92 -3.60 115.22 114.13 1ifx n HIS 11 Ca 0.15 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.38 1ifx n HIS 11 Cb 0.55 -3.67 -0.06 0.00 1.12 0.00 0.00 29.99 27.92 1ifx n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ifx s VAL 12 N -2.95 4.53 -0.11 1.59 1.01 -0.73 -4.62 120.40 119.13 1ifx s VAL 12 Ca 0.07 1.33 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 1ifx s VAL 12 Cb -0.03 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1ifx s VAL 12 CO 0.09 0.17 0.00 -0.54 0.00 0.00 0.00 175.10 174.83 1ifx s LYS 13 N -2.05 3.22 0.38 2.72 1.02 -1.26 -4.79 119.74 118.98 1ifx s LYS 13 Ca 0.45 -0.42 0.14 0.00 0.02 0.00 0.00 55.97 56.16 1ifx s LYS 13 Cb -0.16 -2.86 0.76 0.00 -0.52 0.00 0.00 37.83 35.04 1ifx s LYS 13 CO 0.21 0.57 1.83 -1.00 -0.92 0.00 0.00 175.35 176.04 1ifx h PRO 14 N 5.61 0.00 -4.21 -1.68 0.13 -1.88 -3.43 132.00 126.54 1ifx h PRO 14 Ca -0.46 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.31 1ifx h PRO 14 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1ifx h PRO 14 CO 0.58 0.36 -0.76 0.45 -0.23 0.00 0.00 178.00 178.39 1ifx s SER 15 N -6.84 0.77 0.20 1.44 0.15 -1.26 -4.96 113.70 103.20 1ifx s SER 15 Ca -0.03 -0.11 0.09 0.00 0.70 0.00 0.00 55.95 56.60 1ifx s SER 15 Cb 0.14 -0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 64.18 1ifx s SER 15 CO 0.71 0.01 -0.17 0.27 1.20 0.00 0.00 173.24 175.27 1ifx s ILE 16 N 0.35 1.90 -0.38 6.45 -4.36 -1.26 -5.11 121.20 118.78 1ifx s ILE 16 Ca -0.04 -2.13 -0.06 0.00 -0.26 0.00 0.00 60.65 58.16 1ifx s ILE 16 Cb -0.08 -2.01 0.07 0.00 1.25 0.00 0.00 42.46 41.69 1ifx s ILE 16 CO -0.00 -0.45 0.18 -0.62 0.24 0.00 0.00 174.94 174.29 1ifx s ASP 17 N -3.09 5.40 0.17 4.36 -1.08 -1.26 -5.02 116.67 116.15 1ifx s ASP 17 Ca 0.21 -1.50 -0.24 0.00 -0.52 0.00 0.00 52.55 50.50 1ifx s ASP 17 Cb -0.03 -1.89 0.06 0.00 -1.46 0.00 0.00 42.92 39.59 1ifx s ASP 17 CO 0.08 -0.46 1.58 -0.65 0.52 0.00 0.00 175.17 176.24 1ifx h PRO 18 N 8.24 -0.21 -0.87 4.34 0.11 -1.98 -0.20 132.00 141.43 1ifx h PRO 18 Ca -0.21 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1ifx h PRO 18 Cb 1.07 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1ifx h PRO 18 CO 0.68 -0.14 0.55 0.87 -0.21 0.00 0.00 178.00 179.75 1ifx h LYS 19 N -0.22 1.17 -0.23 1.05 1.79 -1.96 -1.80 116.57 116.36 1ifx h LYS 19 Ca 0.19 -0.09 -0.14 0.00 -2.18 0.00 0.00 60.65 58.43 1ifx h LYS 19 Cb 0.56 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1ifx h LYS 19 CO -0.66 0.80 -0.45 0.37 -1.08 0.00 0.00 179.45 178.42 1ifx h GLN 20 N 1.19 0.60 -0.60 3.15 5.75 -1.87 -2.41 115.11 120.91 1ifx h GLN 20 Ca 0.32 -0.33 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1ifx h GLN 20 Cb -0.09 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1ifx h GLN 20 CO -0.06 0.93 0.37 0.93 -2.65 0.00 0.00 178.83 178.34 1ifx h GLU 21 N 0.48 0.82 0.17 1.69 4.39 -0.62 -0.32 114.58 121.19 1ifx h GLU 21 Ca 0.03 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1ifx h GLU 21 Cb 0.98 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1ifx h GLU 21 CO 0.09 0.58 -0.08 0.82 -1.16 0.00 0.00 179.01 179.26 1ifx h ILE 22 N 0.82 0.86 -0.54 3.13 2.04 -1.20 -1.88 117.51 120.74 1ifx h ILE 22 Ca 0.22 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1ifx h ILE 22 Cb -0.03 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1ifx h ILE 22 CO -0.04 0.03 0.36 -0.33 0.00 0.00 0.00 178.15 178.17 1ifx h GLU 23 N -0.29 0.71 -0.42 2.37 3.07 -1.24 -1.03 114.58 117.75 1ifx h GLU 23 Ca -0.02 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.66 1ifx h GLU 23 Cb 0.23 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1ifx h GLU 23 CO 0.04 0.47 -0.27 -0.44 -1.40 0.00 0.00 179.01 177.41 1ifx h ASP 24 N 0.73 0.96 0.28 1.42 3.32 -0.83 -1.42 116.42 120.89 1ifx h ASP 24 Ca 0.20 -0.43 -0.20 0.00 0.02 0.00 0.00 57.03 56.62 1ifx h ASP 24 Cb -0.08 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 1ifx h ASP 24 CO -0.04 1.18 -0.81 0.03 -1.72 0.00 0.00 179.24 177.88 1ifx h ARG 25 N 0.74 0.41 -0.38 3.56 3.08 -0.73 -0.75 114.38 120.31 1ifx h ARG 25 Ca 0.08 -0.38 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 1ifx h ARG 25 Cb 0.85 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1ifx h ARG 25 CO 0.07 1.03 -0.12 0.28 -1.07 0.00 0.00 179.97 180.16 1ifx h VAL 26 N 0.26 1.28 -0.40 2.04 2.07 -1.25 -2.55 116.25 117.71 1ifx h VAL 26 Ca -0.05 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.17 1ifx h VAL 26 Cb 1.41 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1ifx h VAL 26 CO 0.14 0.40 -0.09 0.78 0.02 0.00 0.00 177.57 178.83 1ifx h ASN 27 N 0.56 0.67 0.17 0.57 2.35 -1.19 -1.29 115.58 117.42 1ifx h ASN 27 Ca 0.09 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1ifx h ASN 27 Cb 0.65 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1ifx h ASN 27 CO 0.04 0.79 -0.08 0.15 -1.65 0.00 0.00 177.43 176.68 1ifx h PHE 28 N 0.63 -0.21 -0.36 1.19 3.57 -0.95 -0.63 116.94 120.18 1ifx h PHE 28 Ca 0.11 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.67 1ifx h PHE 28 Cb 0.52 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1ifx h PHE 28 CO 0.02 -0.09 0.05 -0.07 -2.23 0.00 0.00 178.31 175.99 1ifx h LEU 29 N -0.28 -0.05 -0.66 0.59 3.38 -1.31 0.31 115.31 117.29 1ifx h LEU 29 Ca -0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ifx h LEU 29 Cb 0.22 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1ifx h LEU 29 CO 0.04 0.01 0.40 0.11 0.09 0.00 0.00 178.44 179.09 1ifx h LYS 30 N 0.16 0.90 -0.49 1.13 1.57 -1.18 -2.80 116.57 115.86 1ifx h LYS 30 Ca 0.17 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 1ifx h LYS 30 Cb 0.22 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1ifx h LYS 30 CO -0.25 0.65 -0.21 0.37 -0.57 0.00 0.00 179.45 179.44 1ifx h GLN 31 N 0.90 1.00 -0.38 3.15 4.15 -0.61 -2.32 115.11 121.00 1ifx h GLN 31 Ca 0.24 -0.42 -0.04 0.00 0.77 0.00 0.00 58.65 59.20 1ifx h GLN 31 Cb -0.02 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1ifx h GLN 31 CO -0.04 1.10 0.09 -0.92 -1.93 0.00 0.00 178.83 177.12 1ifx h TYR 32 N 0.86 0.64 -0.30 3.99 3.20 -0.95 -2.54 116.97 121.87 1ifx h TYR 32 Ca 0.11 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1ifx h TYR 32 Cb 0.79 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1ifx h TYR 32 CO 0.05 0.63 0.10 0.28 -1.64 0.00 0.00 178.16 177.59 1ifx h VAL 33 N 0.47 0.92 -0.76 1.81 2.07 -1.45 -2.24 116.25 117.07 1ifx h VAL 33 Ca 0.12 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1ifx h VAL 33 Cb 0.32 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1ifx h VAL 33 CO 0.00 0.04 0.38 0.11 0.02 0.00 0.00 177.57 178.12 1ifx h LYS 34 N 0.24 1.08 -0.51 1.57 1.57 -1.33 0.36 116.57 119.56 1ifx h LYS 34 Ca 0.14 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1ifx h LYS 34 Cb 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1ifx h LYS 34 CO -0.14 0.83 0.04 -0.22 -0.57 0.00 0.00 179.45 179.40 1ifx h LYS 35 N 1.06 0.87 0.00 3.15 3.11 -1.37 -3.19 116.57 120.20 1ifx h LYS 35 Ca 0.26 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1ifx h LYS 35 Cb 0.10 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1ifx h LYS 35 CO -0.04 0.88 -0.71 1.79 -2.81 0.00 0.00 179.45 178.57 1ifx h THR 36 N 0.74 0.00 -2.42 1.00 1.35 -1.25 -3.48 112.91 108.85 1ifx h THR 36 Ca 0.15 -0.90 -0.16 0.00 -0.55 0.00 0.00 66.41 64.95 1ifx h THR 36 Cb 0.46 1.53 0.04 0.00 -1.73 0.00 0.00 68.15 68.45 1ifx h THR 36 CO 0.02 0.00 -0.25 0.61 -0.25 0.00 0.00 175.52 175.65 1ifx n GLY 37 N 1.19 0.28 3.88 5.82 0.00 0.12 -5.02 105.19 111.46 1ifx n GLY 37 Ca 0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1ifx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifx s ALA 38 N -2.93 3.01 -0.32 4.61 0.00 -0.96 -4.99 121.76 120.18 1ifx s ALA 38 Ca 0.17 -0.24 0.23 0.00 0.00 0.00 0.00 51.96 52.11 1ifx s ALA 38 Cb -0.07 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1ifx s ALA 38 CO 0.21 -0.91 0.96 1.63 0.00 0.00 0.00 175.76 177.65 1ifx n LYS 39 N -2.86 0.52 -0.35 0.00 5.02 -1.24 -4.86 118.16 114.38 1ifx n LYS 39 Ca 0.06 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1ifx n LYS 39 Cb 0.56 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1ifx n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ifx n GLY 40 N 1.25 -0.52 3.20 0.72 0.00 -1.26 -2.22 105.19 106.36 1ifx n GLY 40 Ca -0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1ifx n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ifx s PHE 41 N -3.91 1.05 0.00 1.61 0.40 -0.76 -1.89 117.98 114.49 1ifx s PHE 41 Ca 0.00 -1.14 0.00 0.00 -0.60 0.00 0.00 56.93 55.19 1ifx s PHE 41 Cb 0.00 -0.60 -0.00 0.00 0.51 0.00 0.00 43.02 42.93 1ifx s PHE 41 CO 0.00 -0.38 -0.01 0.54 0.70 0.00 0.00 175.22 176.08 1ifx s VAL 42 N -3.86 0.04 -0.17 -0.44 0.11 -0.63 -1.78 120.40 113.67 1ifx s VAL 42 Ca 0.25 -0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 1ifx s VAL 42 Cb 0.07 -0.06 0.05 0.00 -1.53 0.00 0.00 36.38 34.91 1ifx s VAL 42 CO 0.03 -0.05 0.44 -0.22 -3.33 0.00 0.00 175.10 171.97 1ifx s LEU 43 N -0.19 0.14 0.12 2.54 2.96 -0.83 -1.56 118.68 121.87 1ifx s LEU 43 Ca -0.02 0.91 -0.30 0.00 -0.22 0.00 0.00 54.13 54.50 1ifx s LEU 43 Cb -0.01 1.48 -0.07 0.00 0.50 0.00 0.00 46.19 48.09 1ifx s LEU 43 CO -0.00 -0.17 1.17 -0.83 -1.32 0.00 0.00 176.35 175.20 1ifx s GLY 44 N 0.68 2.61 -0.13 7.98 0.00 -1.26 -1.21 107.32 115.98 1ifx s GLY 44 Ca -0.04 0.86 -0.03 0.00 0.00 0.00 0.00 44.72 45.51 1ifx s GLY 44 CO -0.05 1.88 -0.03 -0.42 0.00 0.00 0.00 173.10 174.48 1ifx s ILE 45 N 0.43 4.00 0.00 0.90 -1.09 0.81 -4.86 121.20 121.39 1ifx s ILE 45 Ca 0.55 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1ifx s ILE 45 Cb -0.30 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1ifx s ILE 45 CO 0.33 0.53 0.00 -1.54 -1.23 0.00 0.00 174.94 173.02 1ifx n SER 46 N 3.06 1.78 0.00 3.58 3.41 -1.26 -4.26 113.62 119.93 1ifx n SER 46 Ca -0.18 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1ifx n SER 46 Cb 0.53 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1ifx n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ifx n GLY 47 N 1.50 2.79 3.91 5.00 0.00 -1.26 -4.34 105.19 112.80 1ifx n GLY 47 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ifx n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ifx s GLY 48 N -2.55 1.63 0.13 -0.02 0.00 -1.26 -4.73 107.32 100.51 1ifx s GLY 48 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 44.72 43.68 1ifx s GLY 48 CO 0.00 -0.31 1.59 -1.61 0.00 0.00 0.00 173.10 172.78 1ifx h GLN 49 N -0.82 -0.49 -0.06 2.90 4.15 -1.94 -2.75 115.11 116.09 1ifx h GLN 49 Ca -0.45 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.03 1ifx h GLN 49 Cb 1.32 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.09 1ifx h GLN 49 CO 0.63 -0.33 -0.11 -0.44 -1.93 0.00 0.00 178.83 176.65 1ifx h ASP 50 N -0.51 -0.34 0.50 -0.69 3.32 -1.94 -0.45 116.42 116.30 1ifx h ASP 50 Ca 0.06 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1ifx h ASP 50 Cb 0.62 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1ifx h ASP 50 CO -0.33 -0.16 -0.38 0.77 -1.72 0.00 0.00 179.24 177.42 1ifx h SER 51 N -0.16 0.00 -0.12 6.45 4.64 -1.90 -1.20 113.55 121.25 1ifx h SER 51 Ca 0.06 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 1ifx h SER 51 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1ifx h SER 51 CO -0.16 0.38 -0.46 0.74 -0.87 0.00 0.00 176.83 176.46 1ifx h THR 52 N 0.00 1.30 0.02 2.95 2.02 -1.13 -0.72 112.91 117.35 1ifx h THR 52 Ca -0.00 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 1ifx h THR 52 Cb 0.73 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1ifx h THR 52 CO 0.05 0.53 -0.01 0.25 0.37 0.00 0.00 175.52 176.71 1ifx h LEU 53 N 0.54 -0.02 -0.85 2.58 5.85 -0.75 -2.22 115.31 120.44 1ifx h LEU 53 Ca 0.03 -0.67 0.11 0.00 0.84 0.00 0.00 57.88 58.19 1ifx h LEU 53 Cb 1.01 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.97 1ifx h LEU 53 CO 0.10 0.68 0.49 0.00 -0.34 0.00 0.00 178.44 179.36 1ifx h ALA 54 N 0.17 1.23 -0.38 1.25 0.00 -1.29 -1.32 119.26 118.93 1ifx h ALA 54 Ca -0.00 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1ifx h ALA 54 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ifx h ALA 54 CO 0.00 0.09 -0.31 0.78 0.00 0.00 0.00 179.25 179.81 1ifx h GLY 55 N 0.79 0.95 1.79 0.00 0.00 -1.20 -0.98 103.07 104.43 1ifx h GLY 55 Ca 0.42 -0.94 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 1ifx h GLY 55 CO -0.27 0.85 -0.45 -0.09 0.00 0.00 0.00 176.54 176.59 1ifx h ARG 56 N 0.68 0.23 -0.31 4.80 9.65 -0.99 -2.53 114.38 125.91 1ifx h ARG 56 Ca 0.07 -0.12 -0.16 0.00 -1.10 0.00 0.00 59.98 58.67 1ifx h ARG 56 Cb 0.89 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1ifx h ARG 56 CO 0.08 0.63 -0.43 -0.07 2.80 0.00 0.00 179.97 182.98 1ifx h LEU 57 N 0.19 0.92 -0.53 3.80 3.38 -1.19 -2.69 115.31 119.19 1ifx h LEU 57 Ca 0.01 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1ifx h LEU 57 Cb 0.87 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1ifx h LEU 57 CO 0.07 1.24 0.35 0.00 0.09 0.00 0.00 178.44 180.19 1ifx h ALA 58 N 0.70 0.67 -0.88 1.53 0.00 -1.05 -2.16 119.26 118.08 1ifx h ALA 58 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ifx h ALA 58 Cb 1.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1ifx h ALA 58 CO 0.10 0.11 0.51 0.37 0.00 0.00 0.00 179.25 180.35 1ifx h GLN 59 N 0.72 1.21 -0.32 0.00 5.75 -1.43 -0.87 115.11 120.16 1ifx h GLN 59 Ca 0.19 -0.12 -0.12 0.00 -0.15 0.00 0.00 58.65 58.46 1ifx h GLN 59 Cb -0.08 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.21 1ifx h GLN 59 CO -0.04 0.86 -0.28 -0.07 -2.65 0.00 0.00 178.83 176.65 1ifx h LEU 60 N 1.22 0.68 -0.24 -2.39 3.38 -1.34 -1.25 115.31 115.37 1ifx h LEU 60 Ca 0.31 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ifx h LEU 60 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ifx h LEU 60 CO -0.06 0.93 0.01 0.00 0.09 0.00 0.00 178.44 179.41 1ifx h ALA 61 N 1.12 0.33 -0.53 1.53 0.00 -0.82 -1.24 119.26 119.65 1ifx h ALA 61 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1ifx h ALA 61 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ifx h ALA 61 CO 0.06 0.05 0.02 0.28 0.00 0.00 0.00 179.25 179.66 1ifx h VAL 62 N 0.21 1.26 -0.03 0.00 2.07 -1.17 -1.16 116.25 117.43 1ifx h VAL 62 Ca 0.07 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 1ifx h VAL 62 Cb 0.39 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ifx h VAL 62 CO 0.01 0.38 -0.40 -0.33 0.02 0.00 0.00 177.57 177.25 1ifx h GLU 63 N 0.79 0.06 0.03 1.57 5.08 -1.15 -2.82 114.58 118.14 1ifx h GLU 63 Ca 0.15 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 1ifx h GLU 63 Cb 0.50 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ifx h GLU 63 CO 0.02 0.46 -0.99 1.03 -1.00 0.00 0.00 179.01 178.53 1ifx h SER 64 N 0.05 0.40 -0.13 1.42 0.87 -1.05 -2.92 113.55 112.19 1ifx h SER 64 Ca 0.00 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1ifx h SER 64 Cb 0.74 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1ifx h SER 64 CO 0.05 1.17 0.06 0.40 -0.53 0.00 0.00 176.83 177.99 1ifx h ILE 65 N 0.15 1.13 -0.77 2.23 2.04 -1.02 -3.14 117.51 118.13 1ifx h ILE 65 Ca -0.08 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1ifx h ILE 65 Cb 1.65 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 1ifx h ILE 65 CO 0.16 0.12 0.35 0.03 0.00 0.00 0.00 178.15 178.81 1ifx h ARG 66 N 0.08 1.12 0.00 2.37 3.08 -1.57 -1.20 114.38 118.27 1ifx h ARG 66 Ca 0.05 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1ifx h ARG 66 Cb 0.14 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1ifx h ARG 66 CO -0.01 0.88 0.00 0.39 -1.07 0.00 0.00 179.97 180.17 1ifx n GLU 67 N -4.30 0.15 -0.07 0.04 1.02 -1.10 -0.61 120.64 115.76 1ifx n GLU 67 Ca 0.07 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 1ifx n GLU 67 Cb 0.16 -1.85 0.24 0.00 -0.02 0.00 0.00 31.44 29.96 1ifx n GLU 67 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ifx n GLU 68 N -2.14 2.19 -0.53 3.49 1.02 -0.88 -4.91 120.64 118.88 1ifx n GLU 68 Ca 0.01 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 1ifx n GLU 68 Cb 0.14 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1ifx n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ifx n GLY 69 N 1.34 1.24 3.97 0.62 0.00 0.22 -5.09 105.19 107.49 1ifx n GLY 69 Ca 0.17 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1ifx n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ifx s GLY 70 N -2.32 1.99 -0.23 -0.02 0.00 -0.51 -4.96 107.32 101.28 1ifx s GLY 70 Ca 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 1ifx s GLY 70 CO 0.00 -1.70 -0.09 -0.35 0.00 0.00 0.00 173.10 170.96 1ifx s ASP 71 N -4.41 4.06 -0.09 1.64 2.15 -1.26 -4.01 116.67 114.75 1ifx s ASP 71 Ca 0.52 -0.69 -0.30 0.00 0.43 0.00 0.00 52.55 52.51 1ifx s ASP 71 Cb -0.05 -1.65 0.10 0.00 -0.30 0.00 0.00 42.92 41.03 1ifx s ASP 71 CO 0.32 -0.07 0.86 0.00 -0.17 0.00 0.00 175.17 176.11 1ifx s ALA 72 N 1.36 -1.85 0.09 3.66 0.00 -1.26 -4.82 121.76 118.94 1ifx s ALA 72 Ca 0.03 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 1ifx s ALA 72 Cb -0.15 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.76 1ifx s ALA 72 CO -0.06 -0.41 0.42 1.14 0.00 0.00 0.00 175.76 176.85 1ifx s GLN 73 N -1.57 1.00 -0.07 0.00 -2.07 -0.94 -4.92 119.66 111.09 1ifx s GLN 73 Ca -0.03 -0.53 0.02 0.00 -1.82 0.00 0.00 55.36 53.00 1ifx s GLN 73 Cb -0.00 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.38 1ifx s GLN 73 CO 0.02 -0.37 -0.12 0.12 -1.32 0.00 0.00 175.29 173.62 1ifx s PHE 74 N -3.14 1.51 -0.22 9.60 5.36 -1.26 -1.83 117.98 128.00 1ifx s PHE 74 Ca -0.01 -0.60 -0.04 0.00 -0.96 0.00 0.00 56.93 55.32 1ifx s PHE 74 Cb 0.01 -1.12 -0.01 0.00 -0.34 0.00 0.00 43.02 41.55 1ifx s PHE 74 CO -0.07 -0.32 -0.03 0.42 -1.46 0.00 0.00 175.22 173.75 1ifx s ILE 75 N 0.81 3.50 -0.23 3.12 1.01 -0.73 -2.29 121.20 126.39 1ifx s ILE 75 Ca -0.12 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 1ifx s ILE 75 Cb -0.15 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1ifx s ILE 75 CO 0.02 0.42 0.19 0.00 0.00 0.00 0.00 174.94 175.57 1ifx s ALA 76 N 1.39 3.62 -0.14 9.38 0.00 -0.41 -1.97 121.76 133.62 1ifx s ALA 76 Ca 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1ifx s ALA 76 Cb -0.14 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 1ifx s ALA 76 CO -0.02 -0.13 -0.16 0.08 0.00 0.00 0.00 175.76 175.53 1ifx s VAL 77 N 0.95 2.72 -0.04 0.00 1.01 -0.35 -0.53 120.40 124.15 1ifx s VAL 77 Ca 0.09 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1ifx s VAL 77 Cb -0.13 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1ifx s VAL 77 CO 0.04 0.52 0.83 -0.13 0.00 0.00 0.00 175.10 176.36 1ifx s ARG 78 N 0.59 4.48 -0.53 2.72 1.81 -0.67 -0.13 118.95 127.21 1ifx s ARG 78 Ca -0.09 1.12 0.05 0.00 -1.72 0.00 0.00 55.73 55.09 1ifx s ARG 78 Cb -0.16 -3.46 0.36 0.00 -0.45 0.00 0.00 34.95 31.24 1ifx s ARG 78 CO 0.03 -0.01 0.98 1.28 -0.68 0.00 0.00 175.30 176.91 1ifx n LEU 79 N 3.91 4.37 -4.73 2.53 4.77 -1.26 -1.29 117.00 125.30 1ifx n LEU 79 Ca 0.02 -5.52 -0.33 0.00 -0.03 0.00 0.00 56.01 50.16 1ifx n LEU 79 Cb 0.51 -0.47 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1ifx n LEU 79 CO 0.49 2.32 0.74 -2.16 -1.33 0.00 0.00 177.39 177.45 1ifx s PRO 80 N -3.45 2.04 -0.75 3.23 0.04 -1.24 -4.71 135.00 130.16 1ifx s PRO 80 Ca 0.48 1.52 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1ifx s PRO 80 Cb 0.32 -1.84 0.23 0.00 0.04 0.00 0.00 34.50 33.25 1ifx s PRO 80 CO -0.15 -1.86 0.79 1.58 0.04 0.00 0.00 177.00 177.40 1ifx n HIS 81 N -3.16 3.49 0.00 0.56 -0.00 -1.26 -1.01 115.22 113.85 1ifx n HIS 81 Ca 0.12 -4.00 0.00 0.00 0.46 0.00 0.00 57.72 54.29 1ifx n HIS 81 Cb 0.52 -0.74 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 1ifx n HIS 81 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ifx n GLY 82 N 1.36 2.52 1.42 1.57 0.00 -1.26 -4.86 105.19 105.94 1ifx n GLY 82 Ca 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1ifx n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ifx n ASP 88 N 2.20 0.00 0.05 1.61 9.92 -1.26 -5.03 116.55 124.04 1ifx n ASP 88 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1ifx n ASP 88 Cb 0.00 0.12 0.03 0.00 -0.64 0.00 0.00 41.12 40.63 1ifx n ASP 88 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1ifx h ASP 89 N 0.00 0.51 -0.61 -2.24 3.32 -1.92 -1.74 116.42 113.74 1ifx h ASP 89 Ca 0.00 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1ifx h ASP 89 Cb 0.00 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1ifx h ASP 89 CO 0.00 1.07 0.20 0.00 -1.72 0.00 0.00 179.24 178.79 1ifx h ALA 90 N 0.92 1.14 -0.34 3.45 0.00 -1.85 0.88 119.26 123.46 1ifx h ALA 90 Ca -0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1ifx h ALA 90 Cb 1.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ifx h ALA 90 CO 0.13 0.59 -0.05 1.96 0.00 0.00 0.00 179.25 181.88 1ifx h GLN 91 N 0.95 0.63 -0.73 0.00 1.08 -1.93 -0.20 115.11 114.92 1ifx h GLN 91 Ca 0.21 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1ifx h GLN 91 Cb 0.27 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1ifx h GLN 91 CO -0.01 0.79 0.48 1.25 -0.95 0.00 0.00 178.83 180.39 1ifx h LEU 92 N 0.42 0.83 0.06 1.46 6.46 -0.97 -1.01 115.31 122.57 1ifx h LEU 92 Ca 0.09 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1ifx h LEU 92 Cb 0.53 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1ifx h LEU 92 CO 0.03 0.60 -0.03 0.00 -0.62 0.00 0.00 178.44 178.42 1ifx h ALA 93 N 1.27 -0.09 -0.66 1.25 0.00 -0.53 -1.27 119.26 119.24 1ifx h ALA 93 Ca 0.27 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1ifx h ALA 93 Cb -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ifx h ALA 93 CO -0.06 -0.54 0.43 -0.07 0.00 0.00 0.00 179.25 179.02 1ifx h LEU 94 N -0.11 0.68 -1.37 0.00 3.38 -0.86 0.30 115.31 117.33 1ifx h LEU 94 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ifx h LEU 94 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ifx h LEU 94 CO 0.01 0.47 -0.03 0.50 0.09 0.00 0.00 178.44 179.49 1ifx h LYS 95 N 0.79 0.38 0.16 1.13 3.64 -0.51 -0.78 116.57 121.38 1ifx h LYS 95 Ca 0.26 -0.07 -0.30 0.00 -1.27 0.00 0.00 60.65 59.26 1ifx h LYS 95 Cb 0.06 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ifx h LYS 95 CO -0.07 0.43 -1.48 0.35 -2.27 0.00 0.00 179.45 176.41 1ifx h PHE 96 N 0.37 0.63 -0.42 1.91 3.57 -0.06 -3.36 116.94 119.57 1ifx h PHE 96 Ca 0.08 -0.46 -0.13 0.00 3.53 0.00 0.00 57.97 60.99 1ifx h PHE 96 Cb 0.30 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1ifx h PHE 96 CO 0.01 1.58 -0.26 0.82 -2.23 0.00 0.00 178.31 178.22 1ifx h ILE 97 N -0.10 1.27 -6.01 1.41 2.04 -0.39 -3.48 117.51 112.26 1ifx h ILE 97 Ca -0.30 -1.42 -0.39 0.00 1.00 0.00 0.00 64.86 63.76 1ifx h ILE 97 Cb 1.93 1.22 0.10 0.00 -0.74 0.00 0.00 36.82 39.33 1ifx h ILE 97 CO 0.14 0.48 -0.88 0.29 0.00 0.00 0.00 178.15 178.18 1ifx n LYS 98 N -4.09 -2.74 -1.71 2.37 5.02 -0.31 -4.86 118.16 111.84 1ifx n LYS 98 Ca -0.00 0.60 -0.33 0.00 -2.02 0.00 0.00 58.31 56.56 1ifx n LYS 98 Cb 0.47 -4.87 0.05 0.00 -0.02 0.00 0.00 35.03 30.66 1ifx n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ifx s PRO 99 N -5.63 2.71 0.13 1.97 0.04 -1.26 -4.96 135.00 128.00 1ifx s PRO 99 Ca 0.30 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 1ifx s PRO 99 Cb -0.08 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1ifx s PRO 99 CO 0.82 -1.33 1.63 -0.44 0.04 0.00 0.00 177.00 177.72 1ifx h ASP 100 N -0.03 -0.81 -4.20 6.66 3.32 -1.93 -3.42 116.42 116.02 1ifx h ASP 100 Ca -0.47 0.12 -0.58 0.00 0.02 0.00 0.00 57.03 56.12 1ifx h ASP 100 Cb 1.25 0.35 -0.23 0.00 0.22 0.00 0.00 39.33 40.92 1ifx h ASP 100 CO 0.53 -0.32 -0.84 -0.54 -1.72 0.00 0.00 179.24 176.36 1ifx s LYS 101 N -6.05 1.26 -0.22 3.56 1.02 -0.97 -5.04 119.74 113.30 1ifx s LYS 101 Ca -0.15 -1.10 -0.01 0.00 0.02 0.00 0.00 55.97 54.73 1ifx s LYS 101 Cb 0.10 -1.49 0.06 0.00 -0.52 0.00 0.00 37.83 35.98 1ifx s LYS 101 CO 0.66 0.36 0.01 0.45 -0.92 0.00 0.00 175.35 175.92 1ifx s SER 102 N -1.63 3.39 0.24 2.83 0.15 -1.26 -1.29 113.70 116.13 1ifx s SER 102 Ca 0.08 -1.05 0.02 0.00 0.70 0.00 0.00 55.95 55.70 1ifx s SER 102 Cb -0.10 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.39 1ifx s SER 102 CO 0.03 -0.29 0.17 0.79 1.20 0.00 0.00 173.24 175.15 1ifx n TRP 103 N 4.88 -1.03 -3.61 3.44 7.02 0.31 -4.99 117.44 123.47 1ifx n TRP 103 Ca -0.09 -1.04 -0.15 0.00 -1.02 0.00 0.00 57.50 55.19 1ifx n TRP 103 Cb 0.45 -0.20 -0.07 0.00 -2.42 0.00 0.00 31.31 29.08 1ifx n TRP 103 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1ifx s LYS 104 N -3.00 0.87 -0.18 -0.99 2.20 -1.26 -1.68 119.74 115.70 1ifx s LYS 104 Ca 0.13 0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 56.35 1ifx s LYS 104 Cb -0.01 0.42 0.09 0.00 -1.51 0.00 0.00 37.83 36.82 1ifx s LYS 104 CO 0.08 -0.18 0.28 0.12 -0.36 0.00 0.00 175.35 175.29 1ifx s PHE 105 N -0.25 -0.46 -0.20 4.03 5.36 -0.41 -4.92 117.98 121.12 1ifx s PHE 105 Ca -0.04 0.67 -0.25 0.00 -0.96 0.00 0.00 56.93 56.35 1ifx s PHE 105 Cb -0.03 -0.14 -0.01 0.00 -0.34 0.00 0.00 43.02 42.50 1ifx s PHE 105 CO 0.04 -0.53 0.84 0.34 -1.46 0.00 0.00 175.22 174.45 1ifx s ASP 106 N 2.42 6.91 0.00 6.13 -1.08 -1.26 -3.73 116.67 126.06 1ifx s ASP 106 Ca 0.06 1.13 0.28 0.00 -0.52 0.00 0.00 52.55 53.49 1ifx s ASP 106 Cb -0.14 -2.45 1.07 0.00 -1.46 0.00 0.00 42.92 39.94 1ifx s ASP 106 CO -0.12 -0.46 1.76 2.30 0.52 0.00 0.00 175.17 179.17 1ifx n ILE 107 N 4.97 0.00 -0.13 4.11 -5.35 -0.18 -4.51 119.36 118.28 1ifx n ILE 107 Ca 0.05 -0.24 -0.05 0.00 -0.27 0.00 0.00 62.75 62.24 1ifx n ILE 107 Cb 0.48 0.47 0.04 0.00 -1.74 0.00 0.00 39.64 38.89 1ifx n ILE 107 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1ifx h LYS 108 N 2.29 0.33 -0.29 6.28 3.64 -1.89 -2.44 116.57 124.48 1ifx h LYS 108 Ca 0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1ifx h LYS 108 Cb 0.49 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1ifx h LYS 108 CO 0.00 0.22 -0.14 0.66 -2.27 0.00 0.00 179.45 177.91 1ifx h SER 109 N 0.34 0.49 -0.37 4.20 4.64 -1.98 -0.63 113.55 120.24 1ifx h SER 109 Ca 0.20 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1ifx h SER 109 Cb 0.18 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1ifx h SER 109 CO -0.19 0.67 -0.21 0.74 -0.87 0.00 0.00 176.83 176.96 1ifx h THR 110 N 0.47 1.28 -0.41 2.95 2.02 -1.83 -2.04 112.91 115.34 1ifx h THR 110 Ca 0.08 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.82 1ifx h THR 110 Cb 0.53 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1ifx h THR 110 CO 0.03 0.45 -0.12 0.58 0.37 0.00 0.00 175.52 176.83 1ifx h VAL 111 N 0.59 1.28 0.00 3.16 2.07 -1.22 -1.71 116.25 120.41 1ifx h VAL 111 Ca 0.08 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1ifx h VAL 111 Cb 0.77 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1ifx h VAL 111 CO 0.06 0.41 -0.37 0.28 0.02 0.00 0.00 177.57 177.97 1ifx h SER 112 N 0.63 0.00 -0.33 0.57 0.02 -1.13 -0.13 113.55 113.18 1ifx h SER 112 Ca 0.10 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1ifx h SER 112 Cb 0.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1ifx h SER 112 CO 0.04 0.37 -0.28 0.00 -1.14 0.00 0.00 176.83 175.82 1ifx h ALA 113 N 1.63 0.47 -0.11 3.77 0.00 -1.07 -1.52 119.26 122.44 1ifx h ALA 113 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ifx h ALA 113 Cb 0.66 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ifx h ALA 113 CO 0.05 0.49 0.01 0.35 0.00 0.00 0.00 179.25 180.15 1ifx h PHE 114 N 0.54 0.19 -0.83 0.00 3.57 -0.76 -2.23 116.94 117.42 1ifx h PHE 114 Ca 0.06 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1ifx h PHE 114 Cb 0.85 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 1ifx h PHE 114 CO 0.07 0.41 0.39 0.77 -2.23 0.00 0.00 178.31 177.72 1ifx h SER 115 N -0.08 1.08 -0.44 0.41 0.02 -1.07 -1.05 113.55 112.43 1ifx h SER 115 Ca 0.03 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1ifx h SER 115 Cb 0.33 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1ifx h SER 115 CO 0.00 0.92 0.12 0.44 -1.14 0.00 0.00 176.83 177.18 1ifx h ASP 116 N 1.18 0.65 0.57 3.07 3.32 -1.21 -1.97 116.42 122.02 1ifx h ASP 116 Ca 0.28 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1ifx h ASP 116 Cb 0.13 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ifx h ASP 116 CO -0.03 0.69 -0.35 -0.61 -1.72 0.00 0.00 179.24 177.21 1ifx h GLN 117 N 0.57 0.00 0.27 3.56 5.75 -1.28 -1.04 115.11 122.94 1ifx h GLN 117 Ca 0.14 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1ifx h GLN 117 Cb 0.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1ifx h GLN 117 CO -0.00 0.35 -0.13 -0.92 -2.65 0.00 0.00 178.83 175.48 1ifx h TYR 118 N 0.00 -0.34 0.03 3.99 3.20 -0.47 0.16 116.97 123.55 1ifx h TYR 118 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1ifx h TYR 118 Cb 0.73 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1ifx h TYR 118 CO 0.00 -0.08 -0.02 0.37 -1.64 0.00 0.00 178.16 176.79 1ifx h GLN 119 N -0.56 -0.04 -0.95 1.82 4.15 -1.38 0.24 115.11 118.40 1ifx h GLN 119 Ca -0.04 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.56 1ifx h GLN 119 Cb 0.41 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.02 1ifx h GLN 119 CO 0.06 0.03 0.60 0.37 -1.93 0.00 0.00 178.83 177.97 1ifx h GLN 120 N -0.11 0.64 0.00 1.69 4.15 -1.07 0.20 115.11 120.62 1ifx h GLN 120 Ca -0.00 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 1ifx h GLN 120 Cb 0.10 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1ifx h GLN 120 CO 0.01 0.42 -0.52 0.93 -1.93 0.00 0.00 178.83 177.74 1ifx h GLU 121 N 0.66 0.01 0.00 1.69 4.39 -0.09 -3.40 114.58 117.84 1ifx h GLU 121 Ca 0.50 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.19 1ifx h GLU 121 Cb 0.90 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1ifx h GLU 121 CO -0.26 1.01 -0.84 0.25 -1.16 0.00 0.00 179.01 178.00 1ifx n THR 122 N -4.52 0.23 0.00 1.13 -2.24 0.80 -4.95 114.28 104.72 1ifx n THR 122 Ca -0.19 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ifx n THR 122 Cb 0.57 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1ifx n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ifx n GLY 123 N 1.37 2.61 3.91 3.38 0.00 0.70 -5.00 105.19 112.17 1ifx n GLY 123 Ca 0.03 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1ifx n GLY 123 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ifx s ASP 124 N 0.38 6.06 -0.01 1.61 -4.77 -1.26 -4.92 116.67 113.76 1ifx s ASP 124 Ca 0.00 -0.01 -0.11 0.00 -3.30 0.00 0.00 52.55 49.14 1ifx s ASP 124 Cb 0.00 -1.72 -0.05 0.00 -1.09 0.00 0.00 42.92 40.06 1ifx s ASP 124 CO 0.00 -0.03 0.32 -1.58 0.70 0.00 0.00 175.17 174.58 1ifx s GLN 125 N -3.73 3.72 0.30 2.11 0.74 -1.26 -3.33 119.66 118.21 1ifx s GLN 125 Ca 0.34 0.17 -0.30 0.00 0.05 0.00 0.00 55.36 55.62 1ifx s GLN 125 Cb -0.09 -3.15 -0.11 0.00 1.10 0.00 0.00 33.01 30.76 1ifx s GLN 125 CO 0.27 0.68 1.53 -0.51 -0.55 0.00 0.00 175.29 176.71 1ifx s LEU 126 N -1.32 4.35 0.58 3.68 1.43 -1.26 -4.97 118.68 121.17 1ifx s LEU 126 Ca 0.24 2.90 -0.17 0.00 -1.03 0.00 0.00 54.13 56.06 1ifx s LEU 126 Cb -0.15 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1ifx s LEU 126 CO 0.12 -0.84 1.10 0.42 0.23 0.00 0.00 176.35 177.38 1ifx s THR 127 N -0.27 3.40 0.26 5.49 -4.23 -1.26 -4.74 115.64 114.29 1ifx s THR 127 Ca 0.60 0.75 -0.02 0.00 -1.18 0.00 0.00 61.69 61.84 1ifx s THR 127 Cb -0.46 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.38 1ifx s THR 127 CO 0.50 -0.30 1.68 -0.78 -0.54 0.00 0.00 174.62 175.17 1ifx h ASP 128 N 0.71 0.06 -0.86 3.99 3.58 -1.98 0.37 116.42 122.28 1ifx h ASP 128 Ca -0.48 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1ifx h ASP 128 Cb 1.24 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.45 1ifx h ASP 128 CO 0.56 -0.06 0.54 0.15 -2.88 0.00 0.00 179.24 177.56 1ifx h PHE 129 N 0.28 1.11 0.00 0.28 3.57 -1.99 0.11 116.94 120.30 1ifx h PHE 129 Ca 0.47 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.85 1ifx h PHE 129 Cb 0.86 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1ifx h PHE 129 CO -0.25 0.72 -0.65 -0.91 -2.23 0.00 0.00 178.31 174.99 1ifx h ASN 130 N 1.17 0.00 -0.32 0.41 2.35 -1.30 -2.93 115.58 114.96 1ifx h ASN 130 Ca 0.31 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.90 1ifx h ASN 130 Cb -0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1ifx h ASN 130 CO -0.06 0.65 -0.44 0.50 -1.65 0.00 0.00 177.43 176.43 1ifx h LYS 131 N 0.00 0.86 -0.20 0.81 3.64 0.12 -2.81 116.57 118.98 1ifx h LYS 131 Ca -0.01 -0.50 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1ifx h LYS 131 Cb 1.38 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1ifx h LYS 131 CO 0.08 1.14 0.14 0.78 -2.27 0.00 0.00 179.45 179.32 1ifx h GLY 132 N 0.64 0.14 2.00 5.01 0.00 -0.84 -0.88 103.07 109.14 1ifx h GLY 132 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1ifx h GLY 132 CO 0.10 0.04 -0.47 3.43 0.00 0.00 0.00 176.54 179.64 1ifx h ASN 133 N 0.12 0.00 -0.23 0.19 2.35 -1.37 -2.87 115.58 113.77 1ifx h ASN 133 Ca 0.09 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.65 1ifx h ASN 133 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1ifx h ASN 133 CO -0.01 0.47 -0.58 0.58 -1.65 0.00 0.00 177.43 176.24 1ifx h VAL 134 N 0.00 1.28 -0.60 2.81 2.07 -0.94 -2.02 116.25 118.85 1ifx h VAL 134 Ca -0.00 -1.78 -0.03 0.00 0.82 0.00 0.00 66.70 65.71 1ifx h VAL 134 Cb 1.31 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1ifx h VAL 134 CO 0.06 0.57 0.25 0.11 0.02 0.00 0.00 177.57 178.59 1ifx h LYS 135 N 0.63 0.88 -0.34 1.57 1.57 -1.31 0.14 116.57 119.70 1ifx h LYS 135 Ca 0.00 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1ifx h LYS 135 Cb 1.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1ifx h LYS 135 CO 0.13 0.74 0.02 0.00 -0.57 0.00 0.00 179.45 179.77 1ifx h ALA 136 N 1.09 0.46 -0.03 3.86 0.00 -1.51 -2.17 119.26 120.97 1ifx h ALA 136 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ifx h ALA 136 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ifx h ALA 136 CO -0.02 0.20 -0.20 0.00 0.00 0.00 0.00 179.25 179.23 1ifx h ARG 137 N 0.41 0.05 -0.03 0.00 3.08 -1.05 -2.74 114.38 114.10 1ifx h ARG 137 Ca 0.10 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1ifx h ARG 137 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1ifx h ARG 137 CO 0.01 0.25 -0.57 1.15 -1.07 0.00 0.00 179.97 179.75 1ifx h THR 138 N 0.05 1.39 0.00 2.04 2.02 -0.53 -2.54 112.91 115.34 1ifx h THR 138 Ca 0.01 -1.93 -0.06 0.00 0.77 0.00 0.00 66.41 65.19 1ifx h THR 138 Cb 0.39 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1ifx h THR 138 CO 0.03 0.56 -0.31 0.03 0.37 0.00 0.00 175.52 176.20 1ifx h ARG 139 N 0.08 0.00 0.01 6.66 3.08 -1.09 -1.96 114.38 121.16 1ifx h ARG 139 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 1ifx h ARG 139 Cb 1.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.09 1ifx h ARG 139 CO 0.08 0.31 -0.99 1.98 -1.07 0.00 0.00 179.97 180.28 1ifx h MET 140 N 0.00 0.45 -0.62 0.04 4.05 -1.32 -2.39 114.93 115.15 1ifx h MET 140 Ca -0.00 -0.51 -0.10 0.00 -0.28 0.00 0.00 59.70 58.81 1ifx h MET 140 Cb 0.89 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.81 1ifx h MET 140 CO 0.04 1.16 0.01 0.82 0.23 0.00 0.00 176.91 179.16 1ifx h ILE 141 N 0.25 1.27 0.03 1.77 2.04 -1.33 -0.99 117.51 120.55 1ifx h ILE 141 Ca -0.09 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1ifx h ILE 141 Cb 1.63 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1ifx h ILE 141 CO 0.17 0.42 -0.02 0.00 0.00 0.00 0.00 178.15 178.73 1ifx h ALA 142 N 1.00 -0.05 -0.55 1.87 0.00 -1.34 0.21 119.26 120.41 1ifx h ALA 142 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ifx h ALA 142 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ifx h ALA 142 CO 0.03 -0.52 0.02 1.96 0.00 0.00 0.00 179.25 180.74 1ifx h GLN 143 N -0.06 0.93 0.00 0.00 4.20 -1.38 -2.58 115.11 116.23 1ifx h GLN 143 Ca -0.00 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.34 1ifx h GLN 143 Cb 0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1ifx h GLN 143 CO 0.01 0.90 -0.48 1.88 -0.67 0.00 0.00 178.83 180.47 1ifx h TYR 144 N 0.86 0.00 -0.22 2.96 -1.99 -0.97 -1.95 116.97 115.67 1ifx h TYR 144 Ca 0.16 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.81 1ifx h TYR 144 Cb 0.48 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 1ifx h TYR 144 CO 0.03 0.48 -0.17 0.00 -0.00 0.00 0.00 178.16 178.50 1ifx h ALA 145 N 1.52 0.32 -0.39 3.88 0.00 -0.77 -1.69 119.26 122.12 1ifx h ALA 145 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1ifx h ALA 145 Cb 0.98 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1ifx h ALA 145 CO 0.06 0.22 0.11 0.82 0.00 0.00 0.00 179.25 180.46 1ifx h ILE 146 N 0.20 1.22 0.00 0.00 2.04 -1.42 0.49 117.51 120.04 1ifx h ILE 146 Ca 0.04 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1ifx h ILE 146 Cb 0.70 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1ifx h ILE 146 CO 0.05 0.26 -0.24 1.23 0.00 0.00 0.00 178.15 179.45 1ifx h GLY 147 N 0.49 0.00 0.84 5.37 0.00 -1.40 -0.32 103.07 108.05 1ifx h GLY 147 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 1ifx h GLY 147 CO -0.00 0.00 -0.81 -1.33 0.00 0.00 0.00 176.54 174.40 1ifx h GLY 148 N 1.40 0.46 1.43 4.60 0.00 -0.94 0.88 103.07 110.91 1ifx h GLY 148 Ca -0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 47.33 46.26 1ifx h GLY 148 CO 0.03 0.85 -0.22 1.46 0.00 0.00 0.00 176.54 178.66 1ifx h GLN 149 N -0.13 0.67 -0.02 4.80 1.08 -0.72 -3.22 115.11 117.57 1ifx h GLN 149 Ca -0.12 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1ifx h GLN 149 Cb 1.56 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1ifx h GLN 149 CO 0.16 0.83 -0.16 0.39 -0.95 0.00 0.00 178.83 179.10 1ifx n GLU 150 N -4.12 1.73 -2.94 1.46 -0.58 -0.15 -5.00 120.64 111.04 1ifx n GLU 150 Ca 0.00 -1.43 -0.11 0.00 -0.42 0.00 0.00 57.16 55.20 1ifx n GLU 150 Cb 0.41 -1.40 0.05 0.00 -0.57 0.00 0.00 31.44 29.93 1ifx n GLU 150 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ifx n GLY 151 N 1.23 0.09 3.44 0.62 0.00 -0.25 -4.98 105.19 105.33 1ifx n GLY 151 Ca 0.11 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1ifx n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ifx s LEU 152 N -4.36 2.48 0.06 0.99 1.43 0.14 -3.58 118.68 115.84 1ifx s LEU 152 Ca 0.18 -0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 52.19 1ifx s LEU 152 Cb -0.08 -1.16 -0.06 0.00 0.03 0.00 0.00 46.19 44.92 1ifx s LEU 152 CO 0.39 0.10 0.53 -0.76 0.23 0.00 0.00 176.35 176.84 1ifx s LEU 153 N -2.88 4.51 -0.23 1.79 1.43 -0.79 -4.54 118.68 117.97 1ifx s LEU 153 Ca 0.23 1.19 -0.26 0.00 -1.03 0.00 0.00 54.13 54.26 1ifx s LEU 153 Cb -0.07 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 1ifx s LEU 153 CO 0.11 0.28 0.89 -0.69 0.23 0.00 0.00 176.35 177.17 1ifx s VAL 154 N -1.12 4.79 0.36 -1.59 1.01 -1.26 -1.60 120.40 120.99 1ifx s VAL 154 Ca 0.28 1.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.76 1ifx s VAL 154 Cb -0.19 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 1ifx s VAL 154 CO 0.18 -0.10 0.88 -0.76 0.00 0.00 0.00 175.10 175.30 1ifx s LEU 155 N 2.89 4.11 0.15 3.92 1.43 -0.60 -0.72 118.68 129.85 1ifx s LEU 155 Ca 0.38 1.60 0.09 0.00 -1.03 0.00 0.00 54.13 55.17 1ifx s LEU 155 Cb -0.15 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 1ifx s LEU 155 CO 0.07 -0.21 -0.14 -0.83 0.23 0.00 0.00 176.35 175.47 1ifx s GLY 156 N -2.01 1.72 0.00 -3.19 0.00 -0.77 -4.82 107.32 98.25 1ifx s GLY 156 Ca 0.55 -1.41 0.20 0.00 0.00 0.00 0.00 44.72 44.06 1ifx s GLY 156 CO 0.17 -1.41 1.30 -1.30 0.00 0.00 0.00 173.10 171.86 1ifx n THR 157 N 0.44 0.46 -1.74 0.90 -2.24 -1.26 -4.26 114.28 106.57 1ifx n THR 157 Ca -0.13 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 1ifx n THR 157 Cb 0.54 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.77 1ifx n THR 157 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ifx n ASP 158 N 1.26 3.36 -3.94 3.42 2.03 -1.26 -4.88 116.55 116.53 1ifx n ASP 158 Ca 0.16 1.21 -0.13 0.00 0.52 0.00 0.00 54.79 56.55 1ifx n ASP 158 Cb 0.54 -1.56 -0.08 0.00 -0.72 0.00 0.00 41.12 39.31 1ifx n ASP 158 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1ifx s HIS 159 N -0.90 1.07 0.29 -0.67 -3.43 -1.26 -3.59 115.29 106.79 1ifx s HIS 159 Ca 0.56 -1.27 0.01 0.00 -0.80 0.00 0.00 55.06 53.56 1ifx s HIS 159 Cb -0.52 -0.38 0.54 0.00 -1.43 0.00 0.00 32.58 30.79 1ifx s HIS 159 CO 0.60 -0.80 1.85 0.00 -2.00 0.00 0.00 174.74 174.40 1ifx h ALA 160 N 2.42 1.52 0.00 -1.38 0.00 -1.49 -1.85 119.26 118.48 1ifx h ALA 160 Ca -0.32 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ifx h ALA 160 Cb 1.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ifx h ALA 160 CO 0.46 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.97 1ifx n ALA 161 N -2.36 1.22 0.08 0.00 0.00 -1.22 -2.48 120.51 115.74 1ifx n ALA 161 Ca 0.18 0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.79 1ifx n ALA 161 Cb 0.32 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1ifx n ALA 161 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ifx n GLU 162 N -2.19 3.52 0.05 0.00 0.28 -0.76 -4.59 120.64 116.94 1ifx n GLU 162 Ca -0.00 -0.01 -0.17 0.00 -0.16 0.00 0.00 57.16 56.82 1ifx n GLU 162 Cb 0.09 -0.82 -0.08 0.00 1.43 0.00 0.00 31.44 32.06 1ifx n GLU 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ifx h ALA 163 N 0.35 0.24 -0.73 -1.84 0.00 -1.16 -0.22 119.26 115.89 1ifx h ALA 163 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ifx h ALA 163 Cb 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ifx h ALA 163 CO 0.00 0.75 0.46 0.28 0.00 0.00 0.00 179.25 180.74 1ifx h VAL 164 N 0.31 1.20 -0.01 0.00 2.07 -1.74 -1.96 116.25 116.12 1ifx h VAL 164 Ca -0.11 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1ifx h VAL 164 Cb 1.64 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1ifx h VAL 164 CO 0.19 0.20 -0.42 0.35 0.02 0.00 0.00 177.57 177.91 1ifx n THR 165 N -4.40 0.00 -2.92 2.57 -2.24 -1.22 -3.73 114.28 102.34 1ifx n THR 165 Ca 0.08 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 1ifx n THR 165 Cb 0.05 0.65 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1ifx n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ifx n GLY 166 N 1.40 -0.52 2.35 3.38 0.00 -0.49 -4.84 105.19 106.47 1ifx n GLY 166 Ca 0.10 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1ifx n GLY 166 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ifx n PHE 167 N -4.41 2.49 -3.50 1.61 7.35 -0.22 -4.80 117.46 115.97 1ifx n PHE 167 Ca -0.13 -3.05 -0.11 0.00 -0.76 0.00 0.00 57.45 53.39 1ifx n PHE 167 Cb 0.63 -2.40 -0.02 0.00 0.35 0.00 0.00 39.48 38.04 1ifx n PHE 167 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1ifx s PHE 168 N 1.69 -0.46 -0.17 -5.13 -0.12 -1.26 -4.97 117.98 107.56 1ifx s PHE 168 Ca 0.67 0.21 -0.25 0.00 -0.05 0.00 0.00 56.93 57.50 1ifx s PHE 168 Cb 0.18 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 43.12 1ifx s PHE 168 CO -0.07 -0.90 0.82 0.99 -0.05 0.00 0.00 175.22 176.01 1ifx s THR 169 N -3.78 4.89 -0.23 -4.49 2.01 -1.26 -4.95 115.64 107.82 1ifx s THR 169 Ca 0.03 1.60 -0.29 0.00 0.31 0.00 0.00 61.69 63.35 1ifx s THR 169 Cb -0.02 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1ifx s THR 169 CO -0.10 0.04 1.91 -0.75 -0.69 0.00 0.00 174.62 175.04 1ifx s LYS 170 N 2.08 3.44 -0.10 4.92 2.20 -1.26 -1.81 119.74 129.22 1ifx s LYS 170 Ca 0.38 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 1ifx s LYS 170 Cb -0.17 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.94 1ifx s LYS 170 CO 0.13 -1.73 0.00 0.66 -0.36 0.00 0.00 175.35 174.04 1ifx n TYR 171 N 10.09 0.00 0.00 4.03 0.53 -1.26 -4.95 117.16 125.60 1ifx n TYR 171 Ca 0.24 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.12 1ifx n TYR 171 Cb 0.45 -0.50 0.00 0.00 -1.03 0.00 0.00 39.34 38.26 1ifx n TYR 171 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ifx n GLY 172 N -2.45 0.64 0.10 2.72 0.00 -0.81 -4.52 105.19 100.87 1ifx n GLY 172 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1ifx n GLY 172 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ifx n ASP 173 N 0.00 0.52 -0.00 1.61 3.85 -1.22 -1.71 116.55 119.59 1ifx n ASP 173 Ca 0.00 0.62 0.14 0.00 -0.71 0.00 0.00 54.79 54.84 1ifx n ASP 173 Cb 0.00 -0.73 0.61 0.00 -1.35 0.00 0.00 41.12 39.65 1ifx n ASP 173 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ifx n GLY 174 N 0.11 -1.43 3.46 6.12 0.00 -0.75 -4.59 105.19 108.12 1ifx n GLY 174 Ca 0.03 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1ifx n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ifx s GLY 175 N -2.92 1.66 0.27 -0.02 0.00 -0.70 -4.66 107.32 100.96 1ifx s GLY 175 Ca 0.16 -1.63 -0.01 0.00 0.00 0.00 0.00 44.72 43.24 1ifx s GLY 175 CO 0.53 1.66 0.31 0.00 0.00 0.00 0.00 173.10 175.60 1ifx s ALA 176 N 3.04 1.00 -0.24 3.20 0.00 -1.26 -4.88 121.76 122.62 1ifx s ALA 176 Ca 0.19 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1ifx s ALA 176 Cb -0.17 1.30 -0.18 0.00 0.00 0.00 0.00 23.12 24.06 1ifx s ALA 176 CO 0.14 -0.70 -0.14 -0.25 0.00 0.00 0.00 175.76 174.80 1ifx n ASP 177 N -0.88 2.00 -3.90 0.00 8.00 0.10 -4.98 116.55 116.89 1ifx n ASP 177 Ca 0.02 -0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 1ifx n ASP 177 Cb 0.63 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 41.15 1ifx n ASP 177 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ifx s LEU 178 N -6.64 1.65 -0.29 0.64 0.05 -1.22 -5.04 118.68 107.83 1ifx s LEU 178 Ca -0.33 -0.49 0.00 0.00 0.05 0.00 0.00 54.13 53.36 1ifx s LEU 178 Cb 0.09 0.74 0.09 0.00 -2.05 0.00 0.00 46.19 45.05 1ifx s LEU 178 CO 0.62 -0.54 0.05 -0.76 -0.55 0.00 0.00 176.35 175.17 1ifx s LEU 179 N -2.15 2.63 0.00 1.48 1.43 -1.26 -1.85 118.68 118.96 1ifx s LEU 179 Ca -0.04 -1.53 0.28 0.00 -1.03 0.00 0.00 54.13 51.80 1ifx s LEU 179 Cb -0.01 -1.04 1.31 0.00 0.03 0.00 0.00 46.19 46.48 1ifx s LEU 179 CO -0.05 -0.36 1.92 -0.81 0.23 0.00 0.00 176.35 177.29 1ifx n PRO 180 N 4.73 0.24 -0.12 1.29 -0.04 -1.26 -3.74 135.00 136.10 1ifx n PRO 180 Ca -0.04 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1ifx n PRO 180 Cb 0.43 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.54 1ifx n PRO 180 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ifx n LEU 181 N -1.37 2.92 -4.59 1.53 4.77 -1.26 -4.89 117.00 114.11 1ifx n LEU 181 Ca 0.11 -1.40 -0.51 0.00 -0.03 0.00 0.00 56.01 54.18 1ifx n LEU 181 Cb 0.26 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1ifx n LEU 181 CO 0.23 0.62 0.85 0.41 -1.33 0.00 0.00 177.39 178.16 1ifx n THR 182 N 1.08 0.30 -0.74 -5.08 -1.04 -1.24 -2.30 114.28 105.26 1ifx n THR 182 Ca 0.14 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1ifx n THR 182 Cb 0.49 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1ifx n THR 182 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ifx n GLY 183 N 2.38 1.21 3.86 3.41 0.00 -1.24 -4.88 105.19 109.93 1ifx n GLY 183 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1ifx n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ifx s LEU 184 N 0.00 4.41 0.74 0.99 1.43 -0.97 -4.06 118.68 121.21 1ifx s LEU 184 Ca 0.00 0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 53.82 1ifx s LEU 184 Cb 0.00 -2.61 0.12 0.00 0.03 0.00 0.00 46.19 43.73 1ifx s LEU 184 CO 0.00 0.29 1.03 0.42 0.23 0.00 0.00 176.35 178.31 1ifx s THR 185 N -1.19 2.19 0.06 5.49 -4.23 -1.26 -1.55 115.64 115.14 1ifx s THR 185 Ca 0.25 -0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 60.05 1ifx s THR 185 Cb -0.14 -2.72 -0.17 0.00 1.34 0.00 0.00 72.50 70.80 1ifx s THR 185 CO 0.13 0.00 1.57 0.50 -0.54 0.00 0.00 174.62 176.28 1ifx h LYS 186 N -0.65 -0.16 -0.24 3.99 1.63 -1.94 -1.61 116.57 117.58 1ifx h LYS 186 Ca -0.39 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.32 1ifx h LYS 186 Cb 1.27 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.93 1ifx h LYS 186 CO 0.44 0.01 -0.27 0.07 -3.45 0.00 0.00 179.45 176.25 1ifx h ARG 187 N -0.31 0.47 -0.58 1.90 0.11 -1.96 -2.01 114.38 112.02 1ifx h ARG 187 Ca -0.02 -0.18 -0.03 0.00 0.10 0.00 0.00 59.98 59.85 1ifx h ARG 187 Cb 0.25 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.28 1ifx h ARG 187 CO 0.03 0.70 0.24 1.96 0.10 0.00 0.00 179.97 183.00 1ifx h GLN 188 N 0.42 0.83 -0.41 0.08 4.20 -1.92 -1.39 115.11 116.91 1ifx h GLN 188 Ca 0.06 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 1ifx h GLN 188 Cb 0.69 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1ifx h GLN 188 CO 0.05 0.68 -0.24 0.78 -0.67 0.00 0.00 178.83 179.43 1ifx h GLY 189 N 0.94 0.92 1.14 3.46 0.00 -0.76 -2.52 103.07 106.25 1ifx h GLY 189 Ca 0.20 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1ifx h GLY 189 CO -0.02 0.73 0.45 -0.09 0.00 0.00 0.00 176.54 177.61 1ifx h ARG 190 N 0.73 1.13 -0.75 4.80 2.43 -0.90 -2.10 114.38 119.73 1ifx h ARG 190 Ca 0.10 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1ifx h ARG 190 Cb 0.77 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1ifx h ARG 190 CO 0.06 0.82 0.32 1.15 -1.51 0.00 0.00 179.97 180.82 1ifx h THR 191 N 1.14 1.24 -0.36 0.20 2.02 -0.90 -1.98 112.91 114.27 1ifx h THR 191 Ca 0.29 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 1ifx h THR 191 Cb 0.02 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1ifx h THR 191 CO -0.05 0.30 0.02 -0.07 0.37 0.00 0.00 175.52 176.10 1ifx h LEU 192 N 1.07 0.61 -1.55 2.58 4.07 -1.04 -2.40 115.31 118.65 1ifx h LEU 192 Ca 0.25 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1ifx h LEU 192 Cb 0.16 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1ifx h LEU 192 CO -0.03 0.75 0.30 -0.07 -1.08 0.00 0.00 178.44 178.32 1ifx h LEU 193 N 0.45 0.53 -0.53 1.67 3.38 -1.20 -1.72 115.31 117.89 1ifx h LEU 193 Ca 0.11 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1ifx h LEU 193 Cb 0.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1ifx h LEU 193 CO 0.01 0.38 -0.58 0.11 0.09 0.00 0.00 178.44 178.46 1ifx h LYS 194 N 0.62 0.49 -0.65 1.13 1.57 -1.14 -0.58 116.57 118.01 1ifx h LYS 194 Ca 0.17 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1ifx h LYS 194 Cb -0.07 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1ifx h LYS 194 CO -0.04 0.93 0.28 0.93 -0.57 0.00 0.00 179.45 180.98 1ifx h GLU 195 N 0.37 0.96 0.00 3.15 4.39 -0.89 -2.24 114.58 120.31 1ifx h GLU 195 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1ifx h GLU 195 Cb 1.11 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1ifx h GLU 195 CO 0.10 0.79 0.00 1.28 -1.16 0.00 0.00 179.01 180.02 1ifx n LEU 196 N -4.44 0.00 -1.22 1.33 4.77 -0.71 -4.91 117.00 111.81 1ifx n LEU 196 Ca 0.05 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1ifx n LEU 196 Cb 0.15 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1ifx n LEU 196 CO 0.39 -0.04 -0.06 0.61 -1.33 0.00 0.00 177.39 176.96 1ifx n GLY 197 N 0.40 0.07 3.77 -0.72 0.00 -0.84 -5.01 105.19 102.86 1ifx n GLY 197 Ca 0.14 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 1ifx n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifx s ALA 198 N -2.62 3.22 0.23 4.61 0.00 -0.25 -4.97 121.76 121.98 1ifx s ALA 198 Ca 0.06 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.59 1ifx s ALA 198 Cb -0.03 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1ifx s ALA 198 CO 0.08 -0.35 1.55 -2.30 0.00 0.00 0.00 175.76 174.73 1ifx n PRO 199 N 0.36 2.36 0.26 0.00 -0.02 -1.26 -4.85 135.00 131.86 1ifx n PRO 199 Ca 0.03 0.84 0.13 0.00 -2.02 0.00 0.00 63.50 62.48 1ifx n PRO 199 Cb 0.47 -2.59 0.81 0.00 -0.02 0.00 0.00 33.50 32.16 1ifx n PRO 199 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ifx h GLU 200 N 5.15 0.00 0.00 -0.52 4.11 -1.99 -1.09 114.58 120.24 1ifx h GLU 200 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 1ifx h GLU 200 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ifx h GLU 200 CO 0.83 0.00 -0.09 -0.09 0.07 0.00 0.00 179.01 179.72 1ifx h ARG 201 N 0.00 0.00 0.00 1.06 2.43 -1.99 -0.71 114.38 115.18 1ifx h ARG 201 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ifx h ARG 201 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1ifx h ARG 201 CO -0.00 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.83 1ifx n LEU 202 N -3.47 0.00 0.00 3.80 4.77 -0.41 -3.37 117.00 118.32 1ifx n LEU 202 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1ifx n LEU 202 Cb 0.24 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1ifx n LEU 202 CO 0.29 -0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.21 1ifx n TYR 203 N -1.30 0.00 -2.81 -1.77 0.18 -0.91 -3.35 117.16 107.21 1ifx n TYR 203 Ca 0.08 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.43 1ifx n TYR 203 Cb 0.13 0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.07 1ifx n TYR 203 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ifx s LEU 204 N 0.00 4.38 0.00 -3.48 1.43 -0.32 -5.00 118.68 115.70 1ifx s LEU 204 Ca 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1ifx s LEU 204 Cb 0.00 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1ifx s LEU 204 CO 0.00 -1.36 0.00 -0.38 0.23 0.00 0.00 176.35 174.84 1ifx n ILE 226 N 5.95 0.00 -2.46 -0.59 5.41 -1.26 -5.09 119.36 121.32 1ifx n ILE 226 Ca 0.12 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.63 1ifx n ILE 226 Cb 0.48 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.50 1ifx n ILE 226 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1ifx s SER 227 N 0.00 4.56 0.18 4.38 1.04 -1.26 -4.96 113.70 117.64 1ifx s SER 227 Ca 0.00 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1ifx s SER 227 Cb 0.00 -0.47 0.06 0.00 0.10 0.00 0.00 66.02 65.71 1ifx s SER 227 CO 0.00 -1.71 1.42 1.88 0.98 0.00 0.00 173.24 175.81 1ifx h TYR 228 N -0.50 0.31 -0.85 5.02 0.99 -2.00 -2.43 116.97 117.51 1ifx h TYR 228 Ca -0.40 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.16 1ifx h TYR 228 Cb 1.28 -0.04 -0.04 0.00 1.00 0.00 0.00 36.73 38.93 1ifx h TYR 228 CO -0.04 0.93 0.46 -0.44 -0.00 0.00 0.00 178.16 179.07 1ifx h ASP 229 N 0.13 1.06 -0.16 3.88 3.45 -1.98 0.30 116.42 123.09 1ifx h ASP 229 Ca -0.03 -0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.19 1ifx h ASP 229 Cb 1.40 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 1ifx h ASP 229 CO 0.12 0.85 -0.45 -0.33 -1.57 0.00 0.00 179.24 177.87 1ifx h GLU 230 N 1.19 0.59 -0.69 3.56 5.08 -1.94 -0.39 114.58 121.97 1ifx h GLU 230 Ca 0.30 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1ifx h GLU 230 Cb 0.03 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1ifx h GLU 230 CO -0.05 1.04 0.44 0.82 -1.00 0.00 0.00 179.01 180.26 1ifx h ILE 231 N 0.24 1.12 -0.49 3.13 2.04 -1.05 -1.86 117.51 120.65 1ifx h ILE 231 Ca -0.01 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 1ifx h ILE 231 Cb 1.07 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1ifx h ILE 231 CO 0.10 0.16 -0.04 0.44 0.00 0.00 0.00 178.15 178.81 1ifx h ASP 232 N 0.87 0.87 -0.56 1.72 3.32 -0.28 -2.34 116.42 120.03 1ifx h ASP 232 Ca 0.27 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1ifx h ASP 232 Cb -0.02 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1ifx h ASP 232 CO -0.09 0.99 0.32 0.44 -1.72 0.00 0.00 179.24 179.18 1ifx h ASP 233 N 0.74 0.49 -0.13 6.45 3.45 -0.87 0.18 116.42 126.73 1ifx h ASP 233 Ca 0.13 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.61 1ifx h ASP 233 Cb 0.57 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 1ifx h ASP 233 CO 0.03 0.34 0.07 0.22 -1.57 0.00 0.00 179.24 178.34 1ifx h TYR 234 N 0.62 0.18 -0.20 4.55 3.20 -1.24 0.43 116.97 124.50 1ifx h TYR 234 Ca 0.24 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 1ifx h TYR 234 Cb 0.08 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1ifx h TYR 234 CO -0.08 0.18 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.27 1ifx h LEU 235 N 0.12 0.39 -0.01 2.82 3.38 -1.17 -2.52 115.31 118.33 1ifx h LEU 235 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ifx h LEU 235 Cb 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ifx h LEU 235 CO -0.01 0.67 -0.00 -0.62 0.09 0.00 0.00 178.44 178.57 1ifx n GLU 236 N -4.11 0.69 -0.83 1.13 1.02 0.59 -4.78 120.64 114.34 1ifx n GLU 236 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ifx n GLU 236 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1ifx n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ifx n GLY 237 N 1.16 0.52 3.86 0.62 0.00 -0.88 -4.27 105.19 106.19 1ifx n GLY 237 Ca 0.19 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1ifx n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ifx s LYS 238 N -1.14 3.10 0.07 1.61 1.02 0.15 -5.00 119.74 119.54 1ifx s LYS 238 Ca 0.00 0.70 -0.25 0.00 0.02 0.00 0.00 55.97 56.44 1ifx s LYS 238 Cb 0.00 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.22 1ifx s LYS 238 CO 0.00 -0.92 0.76 -1.21 -0.92 0.00 0.00 175.35 173.06 1ifx s GLU 239 N -5.20 4.50 0.18 1.68 2.02 -1.26 -4.44 118.70 116.17 1ifx s GLU 239 Ca 0.57 1.06 0.01 0.00 0.02 0.00 0.00 54.97 56.64 1ifx s GLU 239 Cb -0.12 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.72 1ifx s GLU 239 CO 0.54 0.35 0.03 0.14 0.02 0.00 0.00 175.26 176.33 1ifx s VAL 240 N -0.28 0.54 0.46 2.63 -7.23 -1.26 -4.96 120.40 110.30 1ifx s VAL 240 Ca 0.38 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.34 1ifx s VAL 240 Cb -0.21 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.48 1ifx s VAL 240 CO 0.23 -0.40 1.24 -0.94 -0.31 0.00 0.00 175.10 174.91 1ifx s SER 241 N -3.17 6.06 0.42 4.85 1.04 -1.26 -4.88 113.70 116.77 1ifx s SER 241 Ca 0.26 2.48 0.20 0.00 0.48 0.00 0.00 55.95 59.37 1ifx s SER 241 Cb 0.07 -2.62 1.13 0.00 0.10 0.00 0.00 66.02 64.70 1ifx s SER 241 CO 0.05 -1.00 1.82 0.00 0.98 0.00 0.00 173.24 175.09 1ifx h ALA 242 N 2.15 2.29 -0.66 5.32 0.00 -2.01 -0.41 119.26 125.93 1ifx h ALA 242 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ifx h ALA 242 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1ifx h ALA 242 CO 0.60 -0.63 0.42 1.57 0.00 0.00 0.00 179.25 181.21 1ifx h LYS 243 N 0.37 0.88 0.13 0.00 2.10 -1.99 -0.64 116.57 117.41 1ifx h LYS 243 Ca 0.52 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 59.10 1ifx h LYS 243 Cb 1.39 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1ifx h LYS 243 CO -0.21 0.60 -0.06 0.28 -2.00 0.00 0.00 179.45 178.06 1ifx h VAL 244 N 0.90 1.03 -0.95 0.07 2.07 -1.44 -2.60 116.25 115.33 1ifx h VAL 244 Ca 0.24 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1ifx h VAL 244 Cb -0.07 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1ifx h VAL 244 CO -0.05 0.22 0.61 0.28 0.02 0.00 0.00 177.57 178.65 1ifx h SER 245 N -0.66 0.99 -0.37 0.57 0.02 -1.40 -1.46 113.55 111.24 1ifx h SER 245 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1ifx h SER 245 Cb 0.50 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1ifx h SER 245 CO 0.03 0.65 0.12 -0.08 -1.14 0.00 0.00 176.83 176.41 1ifx h GLU 246 N 1.14 0.57 -0.31 3.45 4.81 -1.14 -1.56 114.58 121.54 1ifx h GLU 246 Ca 0.40 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1ifx h GLU 246 Cb 0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1ifx h GLU 246 CO -0.15 0.58 -0.05 0.00 -0.73 0.00 0.00 179.01 178.66 1ifx h ALA 247 N 0.96 0.43 -0.28 2.92 0.00 -1.09 -2.74 119.26 119.45 1ifx h ALA 247 Ca 0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1ifx h ALA 247 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ifx h ALA 247 CO -0.00 0.23 -0.05 -0.07 0.00 0.00 0.00 179.25 179.35 1ifx h LEU 248 N 0.36 0.53 -1.98 0.00 3.38 -1.29 -2.43 115.31 113.88 1ifx h LEU 248 Ca 0.08 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1ifx h LEU 248 Cb 0.53 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ifx h LEU 248 CO 0.03 0.76 -0.10 -0.33 0.09 0.00 0.00 178.44 178.88 1ifx h GLU 249 N 0.29 0.00 0.03 1.13 5.08 -1.32 0.10 114.58 119.90 1ifx h GLU 249 Ca 0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1ifx h GLU 249 Cb 0.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ifx h GLU 249 CO 0.02 0.10 -0.27 -0.22 -1.00 0.00 0.00 179.01 177.65 1ifx h LYS 250 N 0.00 0.13 -0.84 2.33 3.64 -1.37 -2.63 116.57 117.83 1ifx h LYS 250 Ca -0.00 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1ifx h LYS 250 Cb 0.25 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1ifx h LYS 250 CO 0.01 1.02 0.50 -0.09 -2.27 0.00 0.00 179.45 178.62 1ifx h ARG 251 N -0.67 1.14 -0.37 1.90 9.65 -1.24 -2.07 114.38 122.71 1ifx h ARG 251 Ca -0.04 -0.11 0.03 0.00 -1.10 0.00 0.00 59.98 58.76 1ifx h ARG 251 Cb 1.14 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 1ifx h ARG 251 CO 0.05 0.81 0.19 -0.92 2.80 0.00 0.00 179.97 182.89 1ifx h TYR 252 N 1.15 0.34 -0.55 2.20 3.20 -0.86 -2.21 116.97 120.25 1ifx h TYR 252 Ca 0.30 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1ifx h TYR 252 Cb -0.03 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1ifx h TYR 252 CO -0.00 0.18 0.26 0.77 -1.64 0.00 0.00 178.16 177.73 1ifx h SER 253 N 0.38 0.73 0.77 -2.11 0.02 -1.07 -2.85 113.55 109.43 1ifx h SER 253 Ca 0.16 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ifx h SER 253 Cb 0.07 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1ifx h SER 253 CO -0.11 0.66 0.00 1.15 -1.14 0.00 0.00 176.83 177.39 1ifx n MET 254 N -4.55 0.11 -0.24 3.45 0.00 -0.82 -3.36 117.12 111.70 1ifx n MET 254 Ca 0.03 0.28 0.07 0.00 0.00 0.00 0.00 57.70 58.08 1ifx n MET 254 Cb 0.13 -1.68 0.17 0.00 0.00 0.00 0.00 33.22 31.84 1ifx n MET 254 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ifx n THR 255 N -1.89 1.59 0.13 3.17 -2.24 -0.85 -4.69 114.28 109.51 1ifx n THR 255 Ca 0.04 -1.48 0.14 0.00 -2.27 0.00 0.00 64.05 60.48 1ifx n THR 255 Cb 0.25 0.13 0.67 0.00 -2.10 0.00 0.00 70.33 69.28 1ifx n THR 255 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ifx h GLU 256 N 1.46 0.00 0.00 -0.78 4.57 -1.54 -0.85 114.58 117.44 1ifx h GLU 256 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ifx h GLU 256 Cb 1.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1ifx h GLU 256 CO 0.08 0.00 -0.06 1.12 -1.18 0.00 0.00 179.01 178.98 1ifx h HIS 257 N 0.00 0.00 0.00 0.92 2.07 -1.87 -1.76 115.15 114.51 1ifx h HIS 257 Ca 0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 1ifx h HIS 257 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 1ifx h HIS 257 CO 0.00 0.06 0.00 0.87 -3.07 0.00 0.00 177.93 175.79 1ifx h LYS 258 N 0.00 0.00 -0.37 5.12 1.57 -1.52 -3.22 116.57 118.15 1ifx h LYS 258 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ifx h LYS 258 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ifx h LYS 258 CO 0.01 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.43 1ifx n ARG 259 N -2.48 2.87 -4.42 3.15 1.74 -0.68 -4.99 116.66 111.85 1ifx n ARG 259 Ca 0.05 -2.10 -0.21 0.00 -0.77 0.00 0.00 57.85 54.82 1ifx n ARG 259 Cb 0.45 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.49 1ifx n ARG 259 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ifx s GLN 260 N -1.02 1.54 0.60 5.56 -1.52 -1.09 -5.12 119.66 118.60 1ifx s GLN 260 Ca 0.25 -1.78 -0.15 0.00 -1.95 0.00 0.00 55.36 51.73 1ifx s GLN 260 Cb 0.13 -1.10 -0.04 0.00 -0.22 0.00 0.00 33.01 31.79 1ifx s GLN 260 CO 0.17 0.01 1.05 0.08 -0.25 0.00 0.00 175.29 176.35 1ifx s VAL 261 N -3.06 3.92 0.22 1.09 1.01 -1.26 -4.93 120.40 117.39 1ifx s VAL 261 Ca 0.30 0.87 -0.28 0.00 0.00 0.00 0.00 61.98 62.87 1ifx s VAL 261 Cb 0.04 -3.42 -0.16 0.00 0.00 0.00 0.00 36.38 32.84 1ifx s VAL 261 CO 0.12 -0.57 0.67 -2.65 0.00 0.00 0.00 175.10 172.67 1ifx n PRO 262 N -2.11 0.41 -2.44 2.72 -0.02 -1.26 -4.87 135.00 127.42 1ifx n PRO 262 Ca 0.08 0.14 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 1ifx n PRO 262 Cb 0.53 -1.26 -0.04 0.00 -0.02 0.00 0.00 33.50 32.71 1ifx n PRO 262 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ifx s ALA 263 N -1.00 3.33 0.16 3.55 0.00 -1.26 -5.07 121.76 121.47 1ifx s ALA 263 Ca 0.63 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.50 1ifx s ALA 263 Cb -0.86 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 1ifx s ALA 263 CO 0.57 -0.24 0.01 -1.54 0.00 0.00 0.00 175.76 174.56 1ifx s SER 264 N -0.99 0.98 0.09 0.00 1.04 -1.26 -5.05 113.70 108.51 1ifx s SER 264 Ca 0.48 -1.17 0.09 0.00 0.48 0.00 0.00 55.95 55.84 1ifx s SER 264 Cb -0.31 0.16 0.45 0.00 0.10 0.00 0.00 66.02 66.43 1ifx s SER 264 CO 0.39 -0.60 1.29 1.15 0.98 0.00 0.00 173.24 176.45 1ifx n MET 265 N -0.19 0.05 0.00 4.02 0.00 -1.26 -1.43 117.12 118.31 1ifx n MET 265 Ca -0.07 0.47 0.13 0.00 0.00 0.00 0.00 57.70 58.23 1ifx n MET 265 Cb 0.63 -1.63 0.27 0.00 0.00 0.00 0.00 33.22 32.49 1ifx n MET 265 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1ifx n PHE 266 N -1.72 0.00 -3.55 3.17 3.01 -1.26 -4.90 117.46 112.21 1ifx n PHE 266 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 1ifx n PHE 266 Cb 0.06 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 1ifx n PHE 266 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ifx s ASP 267 N -2.00 6.67 -0.02 4.37 -0.00 -0.51 -5.00 116.67 120.17 1ifx s ASP 267 Ca 0.32 0.80 0.18 0.00 -0.00 0.00 0.00 52.55 53.85 1ifx s ASP 267 Cb 0.20 -2.22 -0.28 0.00 -0.00 0.00 0.00 42.92 40.63 1ifx s ASP 267 CO 0.32 0.27 0.41 0.47 -0.00 0.00 0.00 175.17 176.64 1ifx n ASP 268 N 2.31 0.86 0.10 0.27 8.00 -1.26 -4.54 116.55 122.30 1ifx n ASP 268 Ca -0.14 -0.04 0.19 0.00 0.71 0.00 0.00 54.79 55.52 1ifx n ASP 268 Cb 0.53 1.79 0.76 0.00 -0.02 0.00 0.00 41.12 44.18 1ifx n ASP 268 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1ifx h TRP 269 N 0.00 0.00 0.00 1.24 5.08 -1.97 -2.45 115.95 117.84 1ifx h TRP 269 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 1ifx h TRP 269 Cb 0.81 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.96 1ifx h TRP 269 CO 0.00 0.00 -1.25 -2.67 -1.28 0.00 0.00 178.44 173.24 1ifx n TRP 270 N -3.91 0.85 0.59 0.12 4.27 -1.26 -5.10 117.44 112.99 1ifx n TRP 270 Ca 0.06 0.26 0.05 0.00 -3.89 0.00 0.00 57.50 53.97 1ifx n TRP 270 Cb 0.52 -0.94 0.28 0.00 -1.36 0.00 0.00 31.31 29.81 1ifx n TRP 270 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03