#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifx h MET 1002N 0.00 0.19 -0.77 -1.46 0.00 -2.02 -3.06 114.93 107.81 1ifx h MET 1002Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 59.70 59.46 1ifx h MET 1002Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 31.60 31.62 1ifx h MET 1002CO 0.00 0.94 0.35 0.37 0.00 0.00 0.00 176.91 178.57 1ifx h GLN 1003N 0.11 1.12 -0.48 1.72 4.15 -1.97 -0.44 115.11 119.32 1ifx h GLN 1003Ca -0.04 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.09 1ifx h GLN 1003Cb 1.48 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.96 1ifx h GLN 1003CO 0.13 0.88 -0.14 0.93 -1.93 0.00 0.00 178.83 178.71 1ifx h GLU 1004N 1.09 0.90 -0.18 1.69 5.08 -1.94 -0.63 114.58 120.59 1ifx h GLU 1004Ca 0.26 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1ifx h GLU 1004Cb 0.15 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ifx h GLU 1004CO -0.03 0.98 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.41 1ifx h LYS 1005N 0.80 0.54 -0.14 2.33 3.64 -1.40 -1.08 116.57 121.26 1ifx h LYS 1005Ca 0.12 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1ifx h LYS 1005Cb 0.67 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1ifx h LYS 1005CO 0.05 0.95 0.04 0.82 -2.27 0.00 0.00 179.45 179.04 1ifx h ILE 1006N 0.20 1.19 -0.78 2.00 2.04 -1.05 0.17 117.51 121.28 1ifx h ILE 1006Ca 0.01 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 65.41 1ifx h ILE 1006Cb 0.92 1.32 -0.09 0.00 -0.74 0.00 0.00 36.82 38.23 1ifx h ILE 1006CO 0.07 0.18 0.36 -0.03 0.00 0.00 0.00 178.15 178.74 1ifx h MET 1007N 0.04 0.53 0.28 2.37 4.05 -1.14 -0.09 114.93 120.97 1ifx h MET 1007Ca 0.05 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1ifx h MET 1007Cb 0.24 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1ifx h MET 1007CO -0.00 0.35 -0.13 -0.09 0.23 0.00 0.00 176.91 177.27 1ifx h ARG 1008N 0.55 -0.36 -0.82 0.39 1.12 -0.76 -2.24 114.38 112.26 1ifx h ARG 1008Ca 0.42 0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.37 1ifx h ARG 1008Cb 0.58 0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.57 1ifx h ARG 1008CO -0.36 -0.08 0.54 0.93 -3.11 0.00 0.00 179.97 177.89 1ifx h GLU 1009N -0.63 0.91 -0.01 0.20 5.08 -0.10 -2.22 114.58 117.81 1ifx h GLU 1009Ca -0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ifx h GLU 1009Cb 0.45 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ifx h GLU 1009CO 0.06 0.60 -0.08 1.28 -1.00 0.00 0.00 179.01 179.87 1ifx n LEU 1010N -4.47 1.26 -2.68 1.33 4.77 -0.10 -4.97 117.00 112.13 1ifx n LEU 1010Ca 0.12 -0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 55.57 1ifx n LEU 1010Cb 0.18 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1ifx n LEU 1010CO 0.34 0.22 0.13 1.41 -1.33 0.00 0.00 177.39 178.15 1ifx n HIS 1011N -0.16 -1.78 -3.61 -1.77 8.25 -0.84 -2.93 115.22 112.39 1ifx n HIS 1011Ca 0.17 0.68 -0.38 0.00 -0.26 0.00 0.00 57.72 57.94 1ifx n HIS 1011Cb 0.34 -3.99 -0.06 0.00 1.12 0.00 0.00 29.99 27.39 1ifx n HIS 1011CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ifx s VAL 1012N -3.24 5.19 0.08 1.59 1.01 -0.89 -4.23 120.40 119.92 1ifx s VAL 1012Ca 0.21 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1ifx s VAL 1012Cb -0.09 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1ifx s VAL 1012CO 0.51 0.57 0.14 -0.54 0.00 0.00 0.00 175.10 175.78 1ifx s LYS 1013N -0.89 3.11 0.29 2.72 1.02 -1.26 -4.81 119.74 119.91 1ifx s LYS 1013Ca 0.21 -0.61 0.13 0.00 0.02 0.00 0.00 55.97 55.72 1ifx s LYS 1013Cb -0.15 -2.84 0.36 0.00 -0.52 0.00 0.00 37.83 34.68 1ifx s LYS 1013CO 0.10 0.57 1.59 -1.00 -0.92 0.00 0.00 175.35 175.69 1ifx h PRO 1014N 3.10 0.00 -3.32 -1.68 0.13 -1.91 -3.45 132.00 124.87 1ifx h PRO 1014Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 1ifx h PRO 1014Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1ifx h PRO 1014CO 0.69 0.58 -0.44 0.45 -0.23 0.00 0.00 178.00 179.05 1ifx s SER 1015N -6.66 -0.10 0.13 1.44 0.15 -1.26 -4.98 113.70 102.42 1ifx s SER 1015Ca -0.00 0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.74 1ifx s SER 1015Cb 0.11 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1ifx s SER 1015CO 0.74 -0.29 -0.07 0.27 1.20 0.00 0.00 173.24 175.10 1ifx s ILE 1016N -0.88 0.87 -0.35 6.45 -4.36 -1.26 -5.10 121.20 116.57 1ifx s ILE 1016Ca -0.10 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.28 1ifx s ILE 1016Cb -0.05 -1.82 0.07 0.00 1.25 0.00 0.00 42.46 41.91 1ifx s ILE 1016CO 0.02 -0.76 0.10 -0.62 0.24 0.00 0.00 174.94 173.92 1ifx s ASP 1017N -3.11 5.10 0.30 4.36 -1.08 -1.26 -5.00 116.67 115.98 1ifx s ASP 1017Ca 0.16 -1.59 0.05 0.00 -0.52 0.00 0.00 52.55 50.65 1ifx s ASP 1017Cb 0.04 -1.78 0.68 0.00 -1.46 0.00 0.00 42.92 40.41 1ifx s ASP 1017CO -0.01 -0.39 1.81 1.55 0.52 0.00 0.00 175.17 178.65 1ifx h PRO 1018N 8.04 0.82 -0.53 4.34 0.13 -1.98 -0.73 132.00 142.10 1ifx h PRO 1018Ca -0.18 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.88 1ifx h PRO 1018Cb 1.06 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1ifx h PRO 1018CO 0.61 0.54 0.23 -0.22 -0.23 0.00 0.00 178.00 178.93 1ifx h LYS 1019N 0.84 0.78 0.00 0.86 3.11 -1.96 -0.96 116.57 119.25 1ifx h LYS 1019Ca 0.53 -0.13 -0.09 0.00 -2.81 0.00 0.00 60.65 58.15 1ifx h LYS 1019Cb 0.73 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 1ifx h LYS 1019CO -0.31 0.67 -0.42 0.37 -2.81 0.00 0.00 179.45 176.94 1ifx h GLN 1020N 0.71 0.00 -0.18 1.90 5.75 -1.86 -2.33 115.11 119.10 1ifx h GLN 1020Ca 0.18 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.53 1ifx h GLN 1020Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1ifx h GLN 1020CO -0.02 0.42 -0.47 0.93 -2.65 0.00 0.00 178.83 177.04 1ifx h GLU 1021N 0.00 0.64 -0.10 1.69 4.39 -0.79 -0.98 114.58 119.42 1ifx h GLU 1021Ca -0.00 -0.45 0.03 0.00 0.34 0.00 0.00 59.36 59.28 1ifx h GLU 1021Cb 1.05 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1ifx h GLU 1021CO 0.05 1.07 -0.08 0.82 -1.16 0.00 0.00 179.01 179.71 1ifx h ILE 1022N 0.31 0.77 -0.05 3.13 2.04 -1.09 -1.69 117.51 120.93 1ifx h ILE 1022Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1ifx h ILE 1022Cb 1.09 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1ifx h ILE 1022CO 0.10 0.00 -0.07 -0.33 0.00 0.00 0.00 178.15 177.85 1ifx h GLU 1023N -0.09 -0.10 -0.99 2.37 4.39 -1.38 -1.22 114.58 117.56 1ifx h GLU 1023Ca 0.07 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.85 1ifx h GLU 1023Cb 0.18 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 1ifx h GLU 1023CO -0.16 -0.07 0.64 -0.44 -1.16 0.00 0.00 179.01 177.82 1ifx h ASP 1024N -0.11 1.00 0.33 1.42 3.32 -1.05 -1.44 116.42 119.89 1ifx h ASP 1024Ca 0.05 0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.79 1ifx h ASP 1024Cb 0.17 -0.19 0.03 0.00 0.22 0.00 0.00 39.33 39.56 1ifx h ASP 1024CO -0.11 0.61 -1.40 0.03 -1.72 0.00 0.00 179.24 176.65 1ifx h ARG 1025N 1.12 0.50 -0.27 3.56 3.08 -1.18 -2.36 114.38 118.82 1ifx h ARG 1025Ca 0.44 -0.82 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1ifx h ARG 1025Cb 0.25 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1ifx h ARG 1025CO -0.19 1.39 0.11 0.28 -1.07 0.00 0.00 179.97 180.49 1ifx h VAL 1026N 0.15 1.17 -0.67 2.04 2.07 -1.13 -2.46 116.25 117.42 1ifx h VAL 1026Ca -0.22 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1ifx h VAL 1026Cb 2.10 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 1ifx h VAL 1026CO 0.26 0.18 0.44 0.78 0.02 0.00 0.00 177.57 179.25 1ifx h ASN 1027N 0.29 0.62 -0.43 0.57 2.35 -1.30 -1.64 115.58 116.04 1ifx h ASN 1027Ca 0.09 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1ifx h ASN 1027Cb 0.17 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1ifx h ASN 1027CO -0.01 0.41 0.16 0.15 -1.65 0.00 0.00 177.43 176.50 1ifx h PHE 1028N 0.71 0.67 -0.21 1.19 3.57 -1.03 -1.33 116.94 120.51 1ifx h PHE 1028Ca 0.28 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1ifx h PHE 1028Cb 0.21 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1ifx h PHE 1028CO -0.00 0.59 0.04 -0.07 -2.23 0.00 0.00 178.31 176.64 1ifx h LEU 1029N 0.56 0.34 0.28 0.59 3.38 -0.93 0.18 115.31 119.70 1ifx h LEU 1029Ca 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ifx h LEU 1029Cb 0.21 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ifx h LEU 1029CO -0.01 0.50 -0.43 0.11 0.09 0.00 0.00 178.44 178.70 1ifx h LYS 1030N 0.16 -0.74 -0.73 1.13 1.57 -1.28 -1.69 116.57 114.99 1ifx h LYS 1030Ca 0.07 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.02 1ifx h LYS 1030Cb 0.30 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 1ifx h LYS 1030CO 0.00 -0.50 0.31 0.37 -0.57 0.00 0.00 179.45 179.07 1ifx h GLN 1031N -0.77 0.47 -0.37 3.15 4.15 -1.19 -0.88 115.11 119.67 1ifx h GLN 1031Ca -0.01 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 1ifx h GLN 1031Cb 0.73 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1ifx h GLN 1031CO -0.15 0.31 -0.33 -0.92 -1.93 0.00 0.00 178.83 175.81 1ifx h TYR 1032N 0.49 1.05 -0.13 3.99 3.20 -0.78 -2.52 116.97 122.27 1ifx h TYR 1032Ca 0.39 -0.30 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 1ifx h TYR 1032Cb 0.53 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1ifx h TYR 1032CO -0.15 1.11 -0.44 -0.24 -1.64 0.00 0.00 178.16 176.81 1ifx h VAL 1033N 0.68 1.32 -0.11 1.81 3.04 -0.84 -2.05 116.25 120.11 1ifx h VAL 1033Ca 0.06 -1.60 -0.16 0.00 -1.01 0.00 0.00 66.70 64.00 1ifx h VAL 1033Cb 0.91 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1ifx h VAL 1033CO 0.08 0.48 -0.63 0.11 -1.01 0.00 0.00 177.57 176.61 1ifx h LYS 1034N 0.26 0.38 -0.50 4.17 1.57 -1.18 -1.80 116.57 119.47 1ifx h LYS 1034Ca 0.02 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1ifx h LYS 1034Cb 0.88 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1ifx h LYS 1034CO 0.07 0.89 0.14 0.87 -0.57 0.00 0.00 179.45 180.85 1ifx h LYS 1035N 0.28 0.78 0.00 3.15 6.56 -1.12 -3.20 116.57 123.03 1ifx h LYS 1035Ca -0.01 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 1ifx h LYS 1035Cb 1.17 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.72 1ifx h LYS 1035CO 0.11 0.75 -0.61 1.79 -2.06 0.00 0.00 179.45 179.43 1ifx h THR 1036N 0.68 0.00 0.00 -0.16 1.35 -1.39 -3.48 112.91 109.91 1ifx h THR 1036Ca 0.16 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1ifx h THR 1036Cb 0.30 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1ifx h THR 1036CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ifx n GLY 1037N 1.18 0.48 3.79 5.82 0.00 -0.68 -5.04 105.19 110.74 1ifx n GLY 1037Ca 0.02 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1ifx n GLY 1037CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifx s ALA 1038N -2.00 2.41 -1.04 4.61 0.00 -1.18 -4.97 121.76 119.58 1ifx s ALA 1038Ca 0.00 0.10 0.29 0.00 0.00 0.00 0.00 51.96 52.34 1ifx s ALA 1038Cb 0.00 -3.20 1.18 0.00 0.00 0.00 0.00 23.12 21.11 1ifx s ALA 1038CO 0.00 -1.55 1.89 1.63 0.00 0.00 0.00 175.76 177.73 1ifx n LYS 1039N -3.35 0.04 0.00 0.00 4.76 -0.81 -4.86 118.16 113.94 1ifx n LYS 1039Ca 0.08 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1ifx n LYS 1039Cb 0.54 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1ifx n LYS 1039CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ifx n GLY 1040N 1.48 0.03 3.22 0.72 0.00 -1.26 -1.18 105.19 108.20 1ifx n GLY 1040Ca 0.07 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1ifx n GLY 1040CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ifx s PHE 1041N -4.00 1.11 -0.02 1.61 0.40 -0.76 -1.74 117.98 114.58 1ifx s PHE 1041Ca 0.00 -1.08 0.01 0.00 -0.60 0.00 0.00 56.93 55.26 1ifx s PHE 1041Cb 0.00 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 42.91 1ifx s PHE 1041CO 0.00 -0.30 -0.02 0.54 0.70 0.00 0.00 175.22 176.15 1ifx s VAL 1042N -3.77 0.25 -0.07 -0.44 0.11 0.08 -0.98 120.40 115.58 1ifx s VAL 1042Ca 0.24 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.22 1ifx s VAL 1042Cb 0.06 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1ifx s VAL 1042CO 0.03 0.13 0.17 -0.22 -3.33 0.00 0.00 175.10 171.89 1ifx s LEU 1043N 0.64 1.24 -0.08 2.54 2.96 -0.50 -2.20 118.68 123.27 1ifx s LEU 1043Ca -0.07 0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 1ifx s LEU 1043Cb -0.10 0.58 -0.03 0.00 0.50 0.00 0.00 46.19 47.15 1ifx s LEU 1043CO -0.01 -0.07 1.17 -0.83 -1.32 0.00 0.00 176.35 175.28 1ifx s GLY 1044N 0.24 2.08 -0.28 7.98 0.00 -1.26 -1.13 107.32 114.95 1ifx s GLY 1044Ca -0.01 0.54 -0.08 0.00 0.00 0.00 0.00 44.72 45.17 1ifx s GLY 1044CO -0.01 2.19 0.10 -0.42 0.00 0.00 0.00 173.10 174.96 1ifx s ILE 1045N 2.35 4.29 -0.30 0.90 -1.09 0.33 -4.88 121.20 122.80 1ifx s ILE 1045Ca 0.54 -0.42 0.16 0.00 -2.23 0.00 0.00 60.65 58.71 1ifx s ILE 1045Cb -0.23 -3.13 -0.23 0.00 -1.58 0.00 0.00 42.46 37.29 1ifx s ILE 1045CO 0.20 0.17 0.48 -1.54 -1.23 0.00 0.00 174.94 173.02 1ifx n SER 1046N 4.92 1.03 0.00 3.58 3.41 -1.26 -4.49 113.62 120.81 1ifx n SER 1046Ca -0.15 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1ifx n SER 1046Cb 0.50 1.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 1ifx n SER 1046CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ifx n GLY 1047N 1.49 2.52 3.81 5.00 0.00 -1.26 -4.36 105.19 112.38 1ifx n GLY 1047Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1ifx n GLY 1047CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ifx s GLY 1048N -2.35 2.40 0.27 -0.02 0.00 -1.26 -4.65 107.32 101.72 1ifx s GLY 1048Ca 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 44.72 45.14 1ifx s GLY 1048CO 0.00 0.81 1.53 -0.18 0.00 0.00 0.00 173.10 175.25 1ifx n GLN 1049N -1.07 -0.09 0.34 2.90 7.27 -1.24 -2.14 117.38 123.34 1ifx n GLN 1049Ca 0.08 1.53 -0.17 0.00 0.07 0.00 0.00 57.00 58.51 1ifx n GLN 1049Cb 0.53 -2.28 -0.09 0.00 2.41 0.00 0.00 30.24 30.81 1ifx n GLN 1049CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1ifx h ASP 1050N 0.00 -0.70 0.44 1.69 3.32 -1.93 -1.14 116.42 118.10 1ifx h ASP 1050Ca 0.47 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.50 1ifx h ASP 1050Cb 0.72 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1ifx h ASP 1050CO -1.01 -0.47 -0.13 0.77 -1.72 0.00 0.00 179.24 176.68 1ifx h SER 1051N -0.85 0.00 -0.13 6.45 4.64 -1.86 0.25 113.55 122.04 1ifx h SER 1051Ca -0.08 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 1ifx h SER 1051Cb 0.64 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1ifx h SER 1051CO 0.14 0.13 -0.17 0.74 -0.87 0.00 0.00 176.83 176.80 1ifx h THR 1052N 0.00 1.36 0.05 2.95 2.02 -1.22 0.09 112.91 118.17 1ifx h THR 1052Ca -0.00 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 1ifx h THR 1052Cb 0.39 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1ifx h THR 1052CO 0.02 0.40 -0.03 0.25 0.37 0.00 0.00 175.52 176.53 1ifx h LEU 1053N -0.06 -0.06 -1.08 2.58 5.85 -0.83 -1.99 115.31 119.72 1ifx h LEU 1053Ca 0.01 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1ifx h LEU 1053Cb 0.73 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1ifx h LEU 1053CO 0.04 0.16 0.37 0.00 -0.34 0.00 0.00 178.44 178.67 1ifx h ALA 1054N 0.65 1.29 -0.26 1.25 0.00 -1.00 -1.94 119.26 119.24 1ifx h ALA 1054Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ifx h ALA 1054Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ifx h ALA 1054CO 0.01 0.56 -0.21 0.78 0.00 0.00 0.00 179.25 180.40 1ifx h GLY 1055N 1.07 0.66 1.10 0.00 0.00 -0.91 -2.51 103.07 102.47 1ifx h GLY 1055Ca 0.25 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1ifx h GLY 1055CO -0.04 0.58 0.29 -0.09 0.00 0.00 0.00 176.54 177.29 1ifx h ARG 1056N 0.33 1.14 -0.45 4.80 9.65 -1.25 -1.72 114.38 126.88 1ifx h ARG 1056Ca 0.05 -0.21 -0.04 0.00 -1.10 0.00 0.00 59.98 58.68 1ifx h ARG 1056Cb 0.75 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1ifx h ARG 1056CO 0.05 0.93 0.11 -0.07 2.80 0.00 0.00 179.97 183.79 1ifx h LEU 1057N 1.11 0.62 -0.59 3.80 3.38 -1.29 -1.80 115.31 120.54 1ifx h LEU 1057Ca 0.25 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1ifx h LEU 1057Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ifx h LEU 1057CO -0.02 0.62 -0.63 0.00 0.09 0.00 0.00 178.44 178.50 1ifx h ALA 1058N 1.47 0.78 -0.37 1.53 0.00 -1.08 -1.11 119.26 120.48 1ifx h ALA 1058Ca 0.15 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1ifx h ALA 1058Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ifx h ALA 1058CO -0.00 0.74 -0.41 0.37 0.00 0.00 0.00 179.25 179.95 1ifx h GLN 1059N 0.21 0.93 -0.48 0.00 5.75 -1.02 -2.44 115.11 118.05 1ifx h GLN 1059Ca -0.01 -0.50 -0.08 0.00 -0.15 0.00 0.00 58.65 57.91 1ifx h GLN 1059Cb 1.16 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 1ifx h GLN 1059CO 0.10 1.16 -0.02 -0.07 -2.65 0.00 0.00 178.83 177.35 1ifx h LEU 1060N 0.75 0.79 -0.46 -2.39 3.38 -1.22 -2.13 115.31 114.02 1ifx h LEU 1060Ca 0.05 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1ifx h LEU 1060Cb 1.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1ifx h LEU 1060CO 0.10 0.87 -0.13 0.00 0.09 0.00 0.00 178.44 179.36 1ifx h ALA 1061N 1.22 0.64 -0.31 1.53 0.00 -1.14 -2.59 119.26 118.62 1ifx h ALA 1061Ca 0.14 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1ifx h ALA 1061Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ifx h ALA 1061CO 0.02 0.56 -0.32 0.28 0.00 0.00 0.00 179.25 179.79 1ifx h VAL 1062N 0.75 1.28 -0.41 0.00 2.07 -1.32 -2.93 116.25 115.69 1ifx h VAL 1062Ca 0.11 -1.45 -0.13 0.00 0.82 0.00 0.00 66.70 66.06 1ifx h VAL 1062Cb 0.69 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1ifx h VAL 1062CO 0.05 0.47 -0.25 -0.33 0.02 0.00 0.00 177.57 177.54 1ifx h GLU 1063N 0.56 0.86 -0.52 1.57 5.08 -1.36 -2.53 114.58 118.24 1ifx h GLU 1063Ca 0.06 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1ifx h GLU 1063Cb 0.83 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1ifx h GLU 1063CO 0.07 1.01 -0.12 1.03 -1.00 0.00 0.00 179.01 179.99 1ifx h SER 1064N 0.74 0.98 -0.60 1.42 0.87 -1.41 -1.89 113.55 113.66 1ifx h SER 1064Ca 0.09 -0.32 -0.09 0.00 -1.23 0.00 0.00 61.79 60.24 1ifx h SER 1064Cb 0.79 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1ifx h SER 1064CO 0.07 1.10 0.02 0.40 -0.53 0.00 0.00 176.83 177.88 1ifx h ILE 1065N 0.87 1.26 0.00 2.23 2.04 -1.44 -1.84 117.51 120.63 1ifx h ILE 1065Ca 0.13 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 1ifx h ILE 1065Cb 0.68 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1ifx h ILE 1065CO 0.05 0.41 -0.39 0.03 0.00 0.00 0.00 178.15 178.25 1ifx h ARG 1066N 0.94 0.00 0.00 2.37 3.08 -1.40 0.48 114.38 119.86 1ifx h ARG 1066Ca 0.17 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1ifx h ARG 1066Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1ifx h ARG 1066CO 0.03 0.39 -0.29 1.49 -1.07 0.00 0.00 179.97 180.52 1ifx h GLU 1067N 0.00 0.00 -0.10 0.04 4.81 -0.55 -2.28 114.58 116.50 1ifx h GLU 1067Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ifx h GLU 1067Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1ifx h GLU 1067CO 0.05 0.29 0.00 0.39 -0.73 0.00 0.00 179.01 179.01 1ifx n GLU 1068N -3.60 1.66 -0.20 1.92 1.02 -0.84 -4.92 120.64 115.70 1ifx n GLU 1068Ca -0.01 -0.98 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 1ifx n GLU 1068Cb 0.42 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1ifx n GLU 1068CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ifx n GLY 1069N 1.13 0.90 4.02 0.62 0.00 -0.86 -5.08 105.19 105.93 1ifx n GLY 1069Ca 0.17 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1ifx n GLY 1069CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ifx s GLY 1070N -2.05 1.81 -0.28 -0.02 0.00 0.11 -4.98 107.32 101.92 1ifx s GLY 1070Ca 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 44.72 42.64 1ifx s GLY 1070CO 0.00 -1.72 0.01 -0.35 0.00 0.00 0.00 173.10 171.04 1ifx s ASP 1071N -4.62 4.73 -0.07 1.64 2.15 -1.26 -3.99 116.67 115.25 1ifx s ASP 1071Ca 0.58 -0.89 -0.16 0.00 0.43 0.00 0.00 52.55 52.52 1ifx s ASP 1071Cb -0.05 -1.76 0.03 0.00 -0.30 0.00 0.00 42.92 40.84 1ifx s ASP 1071CO 0.37 -0.18 0.38 0.00 -0.17 0.00 0.00 175.17 175.57 1ifx s ALA 1072N 1.38 -0.96 0.02 3.66 0.00 -1.26 -4.77 121.76 119.84 1ifx s ALA 1072Ca 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 1ifx s ALA 1072Cb -0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1ifx s ALA 1072CO -0.01 -0.24 0.04 1.14 0.00 0.00 0.00 175.76 176.69 1ifx s GLN 1073N -0.68 0.45 -0.14 0.00 -2.07 -0.32 -4.92 119.66 111.98 1ifx s GLN 1073Ca -0.08 -0.66 0.02 0.00 -1.82 0.00 0.00 55.36 52.82 1ifx s GLN 1073Cb -0.04 0.17 0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1ifx s GLN 1073CO 0.03 -0.09 -0.20 0.12 -1.32 0.00 0.00 175.29 173.83 1ifx s PHE 1074N -1.98 2.55 -0.28 9.60 5.36 -1.26 -1.83 117.98 130.15 1ifx s PHE 1074Ca -0.11 -1.32 -0.06 0.00 -0.96 0.00 0.00 56.93 54.48 1ifx s PHE 1074Cb -0.05 -1.76 0.01 0.00 -0.34 0.00 0.00 43.02 40.87 1ifx s PHE 1074CO -0.02 -0.63 0.05 0.42 -1.46 0.00 0.00 175.22 173.59 1ifx s ILE 1075N 0.95 3.83 -0.24 3.12 1.01 -0.16 -2.61 121.20 127.09 1ifx s ILE 1075Ca -0.04 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 1ifx s ILE 1075Cb -0.15 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1ifx s ILE 1075CO -0.04 0.15 0.16 0.00 0.00 0.00 0.00 174.94 175.20 1ifx s ALA 1076N 1.49 3.58 -0.00 9.38 0.00 -0.89 -1.41 121.76 133.91 1ifx s ALA 1076Ca 0.03 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1ifx s ALA 1076Cb -0.17 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 1ifx s ALA 1076CO 0.01 -0.23 -0.18 0.14 0.00 0.00 0.00 175.76 175.50 1ifx s VAL 1077N 1.14 2.80 -0.14 0.00 -7.23 -0.28 -0.43 120.40 116.25 1ifx s VAL 1077Ca 0.07 -1.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.14 1ifx s VAL 1077Cb -0.14 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1ifx s VAL 1077CO 0.05 0.47 0.20 -0.60 -0.31 0.00 0.00 175.10 174.90 1ifx s ARG 1078N -1.06 3.85 -0.58 4.82 3.00 -0.47 -0.51 118.95 127.99 1ifx s ARG 1078Ca 0.13 -0.05 0.06 0.00 -1.00 0.00 0.00 55.73 54.87 1ifx s ARG 1078Cb -0.10 -3.30 0.29 0.00 0.00 0.00 0.00 34.95 31.83 1ifx s ARG 1078CO 0.03 0.54 0.80 1.28 0.00 0.00 0.00 175.30 177.94 1ifx n LEU 1079N 2.68 3.57 -4.81 -0.88 4.77 -1.26 -1.19 117.00 119.87 1ifx n LEU 1079Ca -0.17 -5.45 -0.32 0.00 -0.03 0.00 0.00 56.01 50.05 1ifx n LEU 1079Cb 0.53 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1ifx n LEU 1079CO 0.35 2.18 0.71 -2.16 -1.33 0.00 0.00 177.39 177.14 1ifx s PRO 1080N -2.73 3.07 -0.86 3.23 0.04 -1.23 -4.73 135.00 131.78 1ifx s PRO 1080Ca 0.43 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1ifx s PRO 1080Cb 0.21 -2.00 0.23 0.00 0.04 0.00 0.00 34.50 32.97 1ifx s PRO 1080CO -0.07 -1.00 0.83 1.58 0.04 0.00 0.00 177.00 178.38 1ifx n HIS 1081N -2.71 3.83 -0.89 0.56 -0.00 -1.26 -0.45 115.22 114.30 1ifx n HIS 1081Ca 0.08 -3.99 0.00 0.00 0.46 0.00 0.00 57.72 54.27 1ifx n HIS 1081Cb 0.53 -1.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.40 1ifx n HIS 1081CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ifx n GLY 1082N 1.92 0.54 1.25 1.57 0.00 -1.26 -4.79 105.19 104.43 1ifx n GLY 1082Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ifx n GLY 1082CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ifx n ASP 1088N 0.23 0.10 0.14 1.61 8.00 -1.26 -5.03 116.55 120.33 1ifx n ASP 1088Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1ifx n ASP 1088Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.34 1ifx n ASP 1088CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ifx h ASP 1089N 0.00 0.09 -0.25 -2.24 3.45 -1.92 -0.66 116.42 114.90 1ifx h ASP 1089Ca 0.00 -0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.33 1ifx h ASP 1089Cb 0.07 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1ifx h ASP 1089CO 0.00 0.56 -0.13 0.00 -1.57 0.00 0.00 179.24 178.10 1ifx h ALA 1090N 1.44 1.07 -0.07 3.45 0.00 -1.83 0.18 119.26 123.52 1ifx h ALA 1090Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.38 1ifx h ALA 1090Cb 0.88 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ifx h ALA 1090CO 0.07 0.57 -0.84 1.96 0.00 0.00 0.00 179.25 181.00 1ifx h GLN 1091N 0.60 0.55 -0.46 0.00 1.08 -1.88 -1.27 115.11 113.73 1ifx h GLN 1091Ca 0.10 -0.50 -0.09 0.00 -1.45 0.00 0.00 58.65 56.71 1ifx h GLN 1091Cb 0.58 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1ifx h GLN 1091CO 0.04 1.13 -0.08 1.25 -0.95 0.00 0.00 178.83 180.21 1ifx h LEU 1092N 0.35 0.80 -0.72 1.46 6.46 -0.86 -1.84 115.31 120.96 1ifx h LEU 1092Ca -0.06 -0.23 -0.09 0.00 -0.12 0.00 0.00 57.88 57.37 1ifx h LEU 1092Cb 1.46 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.15 1ifx h LEU 1092CO 0.16 0.92 -0.03 0.00 -0.62 0.00 0.00 178.44 178.86 1ifx h ALA 1093N 1.16 0.92 -0.32 1.25 0.00 -0.48 -2.67 119.26 119.12 1ifx h ALA 1093Ca 0.13 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1ifx h ALA 1093Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ifx h ALA 1093CO 0.03 0.64 -0.31 -0.07 0.00 0.00 0.00 179.25 179.55 1ifx h LEU 1094N 0.87 0.70 -1.23 0.00 3.38 -0.90 0.06 115.31 118.19 1ifx h LEU 1094Ca 0.15 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1ifx h LEU 1094Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1ifx h LEU 1094CO 0.03 0.96 -0.15 0.11 0.09 0.00 0.00 178.44 179.48 1ifx h LYS 1095N 0.58 0.34 0.00 1.13 1.57 -1.25 -0.60 116.57 118.35 1ifx h LYS 1095Ca 0.07 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ifx h LYS 1095Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1ifx h LYS 1095CO 0.07 0.50 -0.00 0.35 -0.57 0.00 0.00 179.45 179.79 1ifx h PHE 1096N 0.32 -0.01 -0.14 -1.35 3.57 -1.25 -3.38 116.94 114.71 1ifx h PHE 1096Ca 0.06 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1ifx h PHE 1096Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1ifx h PHE 1096CO 0.01 0.87 0.06 0.82 -2.23 0.00 0.00 178.31 177.84 1ifx h ILE 1097N -0.94 1.14 -5.10 1.41 2.04 -1.00 -3.48 117.51 111.58 1ifx h ILE 1097Ca -0.00 -0.42 -0.23 0.00 1.00 0.00 0.00 64.86 65.21 1ifx h ILE 1097Cb 0.88 1.17 0.17 0.00 -0.74 0.00 0.00 36.82 38.29 1ifx h ILE 1097CO 0.00 0.13 -0.72 0.29 0.00 0.00 0.00 178.15 177.85 1ifx n LYS 1098N -4.90 -2.65 -1.16 2.37 5.02 -0.24 -4.86 118.16 111.75 1ifx n LYS 1098Ca -0.05 0.74 -0.32 0.00 -2.02 0.00 0.00 58.31 56.66 1ifx n LYS 1098Cb 0.11 -5.25 0.11 0.00 -0.02 0.00 0.00 35.03 29.98 1ifx n LYS 1098CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ifx s PRO 1099N -4.38 1.83 0.17 1.97 0.04 -1.26 -4.94 135.00 128.42 1ifx s PRO 1099Ca 0.32 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 1ifx s PRO 1099Cb -0.04 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.74 1ifx s PRO 1099CO 0.63 -2.02 1.72 -0.44 0.04 0.00 0.00 177.00 176.93 1ifx h ASP 1100N -1.04 0.78 -4.41 6.66 3.32 -1.93 -3.44 116.42 116.36 1ifx h ASP 1100Ca -0.45 -0.17 -0.41 0.00 0.02 0.00 0.00 57.03 56.02 1ifx h ASP 1100Cb 1.26 -0.20 -0.23 0.00 0.22 0.00 0.00 39.33 40.38 1ifx h ASP 1100CO 0.48 0.74 -0.78 -0.54 -1.72 0.00 0.00 179.24 177.41 1ifx s LYS 1101N -5.55 0.84 -0.16 3.56 1.02 -1.07 -5.03 119.74 113.35 1ifx s LYS 1101Ca -0.13 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1ifx s LYS 1101Cb 0.12 -0.83 0.03 0.00 -0.52 0.00 0.00 37.83 36.63 1ifx s LYS 1101CO 0.79 0.19 -0.12 -1.12 -0.92 0.00 0.00 175.35 174.17 1ifx s SER 1102N -1.38 2.82 0.52 2.83 0.01 -1.26 -2.09 113.70 115.16 1ifx s SER 1102Ca -0.01 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.70 1ifx s SER 1102Cb -0.09 -1.15 0.03 0.00 0.21 0.00 0.00 66.02 65.02 1ifx s SER 1102CO 0.02 -0.09 0.23 0.79 0.41 0.00 0.00 173.24 174.60 1ifx n TRP 1103N 4.77 0.15 -3.65 2.43 7.02 0.43 -4.99 117.44 123.60 1ifx n TRP 1103Ca -0.16 -2.36 -0.11 0.00 -1.02 0.00 0.00 57.50 53.85 1ifx n TRP 1103Cb 0.49 -0.39 -0.08 0.00 -2.42 0.00 0.00 31.31 28.91 1ifx n TRP 1103CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1ifx s LYS 1104N -4.04 0.72 -0.09 -0.99 2.36 -1.26 -1.37 119.74 115.07 1ifx s LYS 1104Ca 0.18 1.03 -0.03 0.00 -2.55 0.00 0.00 55.97 54.60 1ifx s LYS 1104Cb -0.01 0.26 0.04 0.00 -1.05 0.00 0.00 37.83 37.07 1ifx s LYS 1104CO 0.11 -0.12 0.05 0.12 1.55 0.00 0.00 175.35 177.06 1ifx s PHE 1105N 0.92 0.33 -0.30 4.03 5.36 -0.34 -4.92 117.98 123.07 1ifx s PHE 1105Ca -0.04 -0.09 -0.22 0.00 -0.96 0.00 0.00 56.93 55.62 1ifx s PHE 1105Cb -0.05 -0.66 -0.01 0.00 -0.34 0.00 0.00 43.02 41.96 1ifx s PHE 1105CO -0.08 -0.34 0.70 0.34 -1.46 0.00 0.00 175.22 174.38 1ifx s ASP 1106N 2.09 6.59 0.00 6.13 -1.08 -1.26 -3.56 116.67 125.57 1ifx s ASP 1106Ca 0.04 0.58 0.19 0.00 -0.52 0.00 0.00 52.55 52.84 1ifx s ASP 1106Cb -0.14 -2.37 0.90 0.00 -1.46 0.00 0.00 42.92 39.85 1ifx s ASP 1106CO -0.05 -0.52 1.61 2.30 0.52 0.00 0.00 175.17 179.02 1ifx n ILE 1107N 5.42 0.11 -0.29 4.11 -5.35 0.40 -4.45 119.36 119.31 1ifx n ILE 1107Ca 0.01 -0.17 -0.05 0.00 -0.27 0.00 0.00 62.75 62.27 1ifx n ILE 1107Cb 0.48 0.04 0.07 0.00 -1.74 0.00 0.00 39.64 38.49 1ifx n ILE 1107CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1ifx h LYS 1108N 1.08 1.06 0.00 6.28 3.64 -1.87 -2.70 116.57 124.06 1ifx h LYS 1108Ca 0.00 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1ifx h LYS 1108Cb 0.24 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1ifx h LYS 1108CO 0.00 0.74 -0.54 0.66 -2.27 0.00 0.00 179.45 178.05 1ifx h SER 1109N 1.07 0.00 -0.08 4.20 4.64 -1.97 -1.85 113.55 119.56 1ifx h SER 1109Ca 0.28 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.53 1ifx h SER 1109Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1ifx h SER 1109CO -0.05 0.54 -0.21 0.74 -0.87 0.00 0.00 176.83 176.97 1ifx h THR 1110N 0.00 1.42 -0.84 2.95 2.02 -1.85 -2.33 112.91 114.27 1ifx h THR 1110Ca -0.01 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 1ifx h THR 1110Cb 1.06 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 69.66 1ifx h THR 1110CO 0.07 0.44 0.51 0.58 0.37 0.00 0.00 175.52 177.49 1ifx h VAL 1111N -0.20 1.23 0.19 3.16 2.07 -1.43 -2.03 116.25 119.24 1ifx h VAL 1111Ca -0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1ifx h VAL 1111Cb 0.83 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1ifx h VAL 1111CO 0.05 0.25 -0.09 0.28 0.02 0.00 0.00 177.57 178.07 1ifx h SER 1112N 1.16 -0.22 -0.80 0.57 0.02 -1.38 -1.33 113.55 111.56 1ifx h SER 1112Ca 0.30 -0.15 0.15 0.00 -0.84 0.00 0.00 61.79 61.26 1ifx h SER 1112Cb -0.04 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 62.46 1ifx h SER 1112CO -0.06 0.02 0.36 0.00 -1.14 0.00 0.00 176.83 176.01 1ifx h ALA 1113N 0.31 1.17 -0.52 3.77 0.00 -1.27 -0.61 119.26 122.12 1ifx h ALA 1113Ca -0.03 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ifx h ALA 1113Cb 0.35 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ifx h ALA 1113CO 0.04 -0.18 0.06 0.35 0.00 0.00 0.00 179.25 179.52 1ifx h PHE 1114N 0.50 0.94 -0.49 0.00 3.57 -1.16 -2.52 116.94 117.78 1ifx h PHE 1114Ca 0.45 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1ifx h PHE 1114Cb 0.68 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1ifx h PHE 1114CO -0.14 0.86 0.27 0.77 -2.23 0.00 0.00 178.31 177.84 1ifx h SER 1115N 0.76 0.61 -0.42 0.41 0.02 0.01 -1.67 113.55 113.27 1ifx h SER 1115Ca 0.15 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1ifx h SER 1115Cb 0.44 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1ifx h SER 1115CO 0.02 0.52 0.13 0.44 -1.14 0.00 0.00 176.83 176.79 1ifx h ASP 1116N 0.65 0.61 -0.77 3.07 3.32 -1.22 -2.31 116.42 119.77 1ifx h ASP 1116Ca 0.17 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ifx h ASP 1116Cb 0.04 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1ifx h ASP 1116CO -0.03 0.66 0.48 -0.61 -1.72 0.00 0.00 179.24 178.02 1ifx h GLN 1117N 0.53 1.04 -0.29 3.56 5.75 -1.27 0.36 115.11 124.80 1ifx h GLN 1117Ca 0.13 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1ifx h GLN 1117Cb 0.27 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1ifx h GLN 1117CO -0.00 0.72 0.18 -0.92 -2.65 0.00 0.00 178.83 176.15 1ifx h TYR 1118N 1.05 0.33 -0.12 3.99 3.20 -1.18 -0.31 116.97 123.94 1ifx h TYR 1118Ca 0.28 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1ifx h TYR 1118Cb -0.06 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 1ifx h TYR 1118CO -0.01 0.20 -0.03 0.37 -1.64 0.00 0.00 178.16 177.05 1ifx h GLN 1119N 0.36 0.23 -0.41 1.82 4.15 -1.04 -1.27 115.11 118.94 1ifx h GLN 1119Ca 0.11 -0.09 0.08 0.00 0.77 0.00 0.00 58.65 59.52 1ifx h GLN 1119Cb -0.02 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.59 1ifx h GLN 1119CO -0.04 0.53 -0.01 0.37 -1.93 0.00 0.00 178.83 177.75 1ifx h GLN 1120N -0.09 0.10 0.03 1.69 4.15 -0.84 0.35 115.11 120.50 1ifx h GLN 1120Ca 0.03 -0.01 -0.24 0.00 0.77 0.00 0.00 58.65 59.20 1ifx h GLN 1120Cb 0.44 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.12 1ifx h GLN 1120CO 0.01 0.06 -1.02 0.93 -1.93 0.00 0.00 178.83 176.88 1ifx h GLU 1121N 0.10 0.41 0.02 1.69 4.39 -1.09 -3.40 114.58 116.70 1ifx h GLU 1121Ca 0.20 -0.48 -0.40 0.00 0.34 0.00 0.00 59.36 59.02 1ifx h GLU 1121Cb 0.29 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 1ifx h GLU 1121CO -0.35 1.15 -2.32 2.41 -1.16 0.00 0.00 179.01 178.74 1ifx n THR 1122N -3.71 1.55 0.00 1.13 -1.04 -0.48 -5.03 114.28 106.69 1ifx n THR 1122Ca -0.08 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 1ifx n THR 1122Cb 0.88 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 1ifx n THR 1122CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ifx n GLY 1123N 1.80 1.02 3.17 3.41 0.00 0.12 -5.04 105.19 109.67 1ifx n GLY 1123Ca -0.46 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 1ifx n GLY 1123CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ifx s ASP 1124N -2.00 1.32 0.08 1.61 1.01 -1.25 -5.04 116.67 112.40 1ifx s ASP 1124Ca 0.00 -0.89 -0.10 0.00 0.71 0.00 0.00 52.55 52.28 1ifx s ASP 1124Cb 0.00 0.04 -0.06 0.00 1.01 0.00 0.00 42.92 43.91 1ifx s ASP 1124CO 0.00 -0.34 0.40 -1.10 0.21 0.00 0.00 175.17 174.33 1ifx s GLN 1125N -3.19 3.75 0.00 8.23 1.11 -1.26 -3.20 119.66 125.10 1ifx s GLN 1125Ca 0.08 0.16 -0.30 0.00 0.01 0.00 0.00 55.36 55.30 1ifx s GLN 1125Cb 0.00 -2.99 -0.05 0.00 -1.01 0.00 0.00 33.01 28.96 1ifx s GLN 1125CO -0.02 0.56 1.28 -0.51 0.01 0.00 0.00 175.29 176.61 1ifx s LEU 1126N -1.95 4.32 0.70 2.90 1.43 -1.26 -4.98 118.68 119.84 1ifx s LEU 1126Ca 0.33 2.00 -0.14 0.00 -1.03 0.00 0.00 54.13 55.30 1ifx s LEU 1126Cb -0.14 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.54 1ifx s LEU 1126CO 0.18 -0.61 1.11 0.42 0.23 0.00 0.00 176.35 177.69 1ifx s THR 1127N 1.92 3.17 0.20 5.49 -4.23 -1.26 -4.69 115.64 116.24 1ifx s THR 1127Ca 0.60 0.50 -0.15 0.00 -1.18 0.00 0.00 61.69 61.47 1ifx s THR 1127Cb -0.29 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.76 1ifx s THR 1127CO 0.26 -0.38 1.62 0.44 -0.54 0.00 0.00 174.62 176.02 1ifx h ASP 1128N -0.30 -0.63 -0.88 3.99 3.32 -1.98 0.24 116.42 120.17 1ifx h ASP 1128Ca -0.46 0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1ifx h ASP 1128Cb 1.25 0.40 -0.04 0.00 0.22 0.00 0.00 39.33 41.16 1ifx h ASP 1128CO 0.53 -0.22 0.55 0.15 -1.72 0.00 0.00 179.24 178.53 1ifx h PHE 1129N -0.02 1.15 0.00 4.55 3.57 -1.99 0.11 116.94 124.31 1ifx h PHE 1129Ca 0.29 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.63 1ifx h PHE 1129Cb 0.46 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1ifx h PHE 1129CO -0.52 0.75 -0.81 -0.91 -2.23 0.00 0.00 178.31 174.59 1ifx h ASN 1130N 1.22 0.00 1.37 0.41 2.35 -1.28 -2.76 115.58 116.89 1ifx h ASN 1130Ca 0.32 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.99 1ifx h ASN 1130Cb -0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1ifx h ASN 1130CO -0.06 0.81 -0.39 0.50 -1.65 0.00 0.00 177.43 176.64 1ifx h LYS 1131N 0.00 0.00 -0.72 0.81 3.64 -0.45 -2.71 116.57 117.13 1ifx h LYS 1131Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1ifx h LYS 1131Cb 1.49 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.27 1ifx h LYS 1131CO 0.11 0.39 0.33 0.78 -2.27 0.00 0.00 179.45 178.78 1ifx h GLY 1132N 3.14 1.13 1.92 5.01 0.00 -0.50 -2.32 103.07 111.45 1ifx h GLY 1132Ca -0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 47.33 46.58 1ifx h GLY 1132CO 0.05 0.55 -0.75 3.43 0.00 0.00 0.00 176.54 179.82 1ifx h ASN 1133N 1.02 0.09 -0.13 0.19 2.35 -1.42 -3.07 115.58 114.61 1ifx h ASN 1133Ca 0.25 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1ifx h ASN 1133Cb 0.15 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1ifx h ASN 1133CO -0.03 0.81 0.01 0.58 -1.65 0.00 0.00 177.43 177.15 1ifx h VAL 1134N 0.04 1.14 -0.18 2.81 2.07 -1.16 -1.39 116.25 119.58 1ifx h VAL 1134Ca -0.02 -0.52 -0.15 0.00 0.82 0.00 0.00 66.70 66.83 1ifx h VAL 1134Cb 1.33 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1ifx h VAL 1134CO 0.10 0.18 -0.47 0.11 0.02 0.00 0.00 177.57 177.51 1ifx h LYS 1135N 0.32 0.64 -0.72 1.57 1.57 -1.34 -1.45 116.57 117.18 1ifx h LYS 1135Ca 0.08 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1ifx h LYS 1135Cb 0.20 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1ifx h LYS 1135CO 0.00 1.07 0.33 0.00 -0.57 0.00 0.00 179.45 180.28 1ifx h ALA 1136N 0.57 1.23 0.00 3.86 0.00 -1.41 -1.60 119.26 121.91 1ifx h ALA 1136Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1ifx h ALA 1136Cb 1.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ifx h ALA 1136CO 0.10 0.58 -0.61 0.00 0.00 0.00 0.00 179.25 179.32 1ifx h ARG 1137N 1.02 0.00 -0.10 0.00 3.08 -1.24 -2.88 114.38 114.25 1ifx h ARG 1137Ca 0.25 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.11 1ifx h ARG 1137Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ifx h ARG 1137CO -0.03 0.61 -0.71 1.15 -1.07 0.00 0.00 179.97 179.92 1ifx h THR 1138N 0.00 1.36 -0.03 2.04 2.02 -0.96 -2.67 112.91 114.67 1ifx h THR 1138Ca -0.01 -2.07 -0.08 0.00 0.77 0.00 0.00 66.41 65.02 1ifx h THR 1138Cb 1.35 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1ifx h THR 1138CO 0.08 0.63 -0.36 0.03 0.37 0.00 0.00 175.52 176.27 1ifx h ARG 1139N 0.33 0.05 0.24 6.66 3.08 -1.26 -2.01 114.38 121.48 1ifx h ARG 1139Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ifx h ARG 1139Cb 1.29 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1ifx h ARG 1139CO 0.13 0.41 -0.12 1.98 -1.07 0.00 0.00 179.97 181.30 1ifx h MET 1140N 0.05 -0.32 -0.98 0.04 4.05 -1.30 -2.47 114.93 114.01 1ifx h MET 1140Ca 0.00 0.02 0.16 0.00 -0.28 0.00 0.00 59.70 59.61 1ifx h MET 1140Cb 0.67 0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 31.45 1ifx h MET 1140CO 0.05 -0.11 0.61 0.82 0.23 0.00 0.00 176.91 178.52 1ifx h ILE 1141N -0.48 0.79 -0.31 1.77 2.04 -1.22 0.23 117.51 120.34 1ifx h ILE 1141Ca -0.03 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1ifx h ILE 1141Cb 0.36 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1ifx h ILE 1141CO 0.06 0.14 -0.11 0.00 0.00 0.00 0.00 178.15 178.24 1ifx h ALA 1142N 1.60 0.43 -0.64 1.87 0.00 -1.30 -0.92 119.26 120.30 1ifx h ALA 1142Ca 0.52 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1ifx h ALA 1142Cb 0.77 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1ifx h ALA 1142CO -0.29 0.29 0.07 1.96 0.00 0.00 0.00 179.25 181.29 1ifx h GLN 1143N 0.39 1.08 0.00 0.00 4.20 -0.83 -1.63 115.11 118.32 1ifx h GLN 1143Ca 0.07 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 1ifx h GLN 1143Cb 0.62 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1ifx h GLN 1143CO 0.04 1.00 -0.33 1.88 -0.67 0.00 0.00 178.83 180.75 1ifx h TYR 1144N 1.00 0.00 0.09 2.96 -1.99 -0.94 -1.40 116.97 116.69 1ifx h TYR 1144Ca 0.19 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.63 1ifx h TYR 1144Cb 0.47 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.23 1ifx h TYR 1144CO 0.03 0.33 -1.20 0.00 -0.00 0.00 0.00 178.16 177.33 1ifx h ALA 1145N 1.67 0.04 -0.22 3.88 0.00 -0.97 -0.68 119.26 122.98 1ifx h ALA 1145Ca -0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 1ifx h ALA 1145Cb 0.95 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ifx h ALA 1145CO 0.04 0.71 -0.06 0.82 0.00 0.00 0.00 179.25 180.76 1ifx h ILE 1146N 0.29 1.29 -0.75 0.00 2.04 -1.21 -1.41 117.51 117.76 1ifx h ILE 1146Ca -0.17 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1ifx h ILE 1146Cb 1.86 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 1ifx h ILE 1146CO 0.23 0.32 0.37 1.23 0.00 0.00 0.00 178.15 180.30 1ifx h GLY 1147N 0.16 1.14 0.98 5.37 0.00 -1.30 0.61 103.07 110.02 1ifx h GLY 1147Ca 0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1ifx h GLY 1147CO 0.02 0.52 0.13 -1.33 0.00 0.00 0.00 176.54 175.88 1ifx h GLY 1148N 1.10 0.87 1.78 4.60 0.00 -1.01 0.34 103.07 110.76 1ifx h GLY 1148Ca 0.26 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 1ifx h GLY 1148CO -0.03 0.51 -0.67 1.46 0.00 0.00 0.00 176.54 177.80 1ifx h GLN 1149N 0.70 0.21 -0.00 4.80 1.08 -0.91 -3.33 115.11 117.66 1ifx h GLN 1149Ca 0.16 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1ifx h GLN 1149Cb 0.32 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1ifx h GLN 1149CO 0.00 0.81 -0.86 0.39 -0.95 0.00 0.00 178.83 178.22 1ifx n GLU 1150N -3.82 0.52 -2.16 1.46 -0.58 0.18 -5.00 120.64 111.24 1ifx n GLU 1150Ca -0.03 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1ifx n GLU 1150Cb 0.66 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1ifx n GLU 1150CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ifx n GLY 1151N 1.46 0.58 3.68 0.62 0.00 0.11 -4.88 105.19 106.76 1ifx n GLY 1151Ca 0.05 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1ifx n GLY 1151CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ifx s LEU 1152N -0.35 3.08 -0.00 0.99 1.43 -0.65 -1.93 118.68 121.25 1ifx s LEU 1152Ca 0.00 -0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1ifx s LEU 1152Cb 0.00 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1ifx s LEU 1152CO 0.00 -0.33 0.12 -0.76 0.23 0.00 0.00 176.35 175.61 1ifx s LEU 1153N -3.79 4.10 -0.23 1.79 1.43 -0.71 -4.62 118.68 116.64 1ifx s LEU 1153Ca 0.37 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.55 1ifx s LEU 1153Cb 0.01 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1ifx s LEU 1153CO 0.21 0.26 0.33 -0.69 0.23 0.00 0.00 176.35 176.69 1ifx s VAL 1154N -1.26 5.23 0.33 -1.59 1.01 -1.26 -0.74 120.40 122.12 1ifx s VAL 1154Ca 0.25 0.53 -0.15 0.00 0.00 0.00 0.00 61.98 62.61 1ifx s VAL 1154Cb -0.12 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1ifx s VAL 1154CO 0.16 0.24 0.75 -0.76 0.00 0.00 0.00 175.10 175.49 1ifx s LEU 1155N 1.50 4.05 0.08 3.92 1.43 -0.94 -1.08 118.68 127.65 1ifx s LEU 1155Ca 0.15 1.29 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1ifx s LEU 1155Cb -0.15 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1ifx s LEU 1155CO 0.08 -0.22 -0.16 -0.83 0.23 0.00 0.00 176.35 175.45 1ifx s GLY 1156N -2.30 1.68 -0.13 -3.19 0.00 -0.41 -4.83 107.32 98.14 1ifx s GLY 1156Ca 0.54 -1.27 0.16 0.00 0.00 0.00 0.00 44.72 44.16 1ifx s GLY 1156CO 0.18 -1.21 1.53 -1.30 0.00 0.00 0.00 173.10 172.30 1ifx n THR 1157N 1.06 1.96 -2.09 0.90 -2.24 -1.26 -4.23 114.28 108.37 1ifx n THR 1157Ca -0.15 -1.38 -0.40 0.00 -2.27 0.00 0.00 64.05 59.85 1ifx n THR 1157Cb 0.52 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1ifx n THR 1157CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ifx s ASP 1158N -1.18 6.52 0.32 3.42 3.68 -1.26 -4.90 116.67 123.27 1ifx s ASP 1158Ca 0.45 2.65 0.00 0.00 2.13 0.00 0.00 52.55 57.78 1ifx s ASP 1158Cb 0.31 -2.64 -0.01 0.00 -1.45 0.00 0.00 42.92 39.13 1ifx s ASP 1158CO 0.18 -0.70 0.37 -1.38 0.13 0.00 0.00 175.17 173.77 1ifx s HIS 1159N -1.22 1.25 0.18 -5.34 -3.43 -1.26 -3.59 115.29 101.87 1ifx s HIS 1159Ca 0.53 -1.38 -0.14 0.00 -0.80 0.00 0.00 55.06 53.27 1ifx s HIS 1159Cb -0.38 -0.32 0.17 0.00 -1.43 0.00 0.00 32.58 30.62 1ifx s HIS 1159CO 0.50 -0.98 1.70 0.00 -2.00 0.00 0.00 174.74 173.96 1ifx h ALA 1160N 2.19 0.49 0.00 -1.38 0.00 -1.41 0.23 119.26 119.38 1ifx h ALA 1160Ca -0.28 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1ifx h ALA 1160Cb 1.24 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1ifx h ALA 1160CO 0.39 -0.35 -0.21 0.00 0.00 0.00 0.00 179.25 179.08 1ifx h ALA 1161N 1.39 1.12 0.00 0.00 0.00 -1.92 -1.38 119.26 118.47 1ifx h ALA 1161Ca 0.24 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1ifx h ALA 1161Cb 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1ifx h ALA 1161CO -0.35 0.27 -1.29 1.49 0.00 0.00 0.00 179.25 179.37 1ifx h GLU 1162N 0.00 0.00 0.03 0.00 4.81 -1.68 -3.37 114.58 114.38 1ifx h GLU 1162Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1ifx h GLU 1162Cb 0.62 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.02 1ifx h GLU 1162CO 0.03 0.39 -0.92 0.00 -0.73 0.00 0.00 179.01 177.78 1ifx h ALA 1163N 1.35 0.07 -0.62 2.92 0.00 -0.15 -2.85 119.26 119.99 1ifx h ALA 1163Ca -0.15 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.10 1ifx h ALA 1163Cb 1.62 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1ifx h ALA 1163CO 0.06 0.55 0.41 -0.39 0.00 0.00 0.00 179.25 179.88 1ifx h VAL 1164N 0.15 1.16 -0.01 0.00 -1.51 -1.43 -2.87 116.25 111.74 1ifx h VAL 1164Ca -0.12 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1ifx h VAL 1164Cb 1.60 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1ifx h VAL 1164CO 0.18 0.15 -0.29 0.35 -1.23 0.00 0.00 177.57 176.73 1ifx n THR 1165N -4.44 0.00 -2.56 7.19 -2.24 -1.25 -3.66 114.28 107.32 1ifx n THR 1165Ca 0.06 -0.19 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1ifx n THR 1165Cb 0.04 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1ifx n THR 1165CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ifx n GLY 1166N 1.35 -0.46 2.65 3.38 0.00 -1.09 -4.88 105.19 106.14 1ifx n GLY 1166Ca 0.12 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ifx n GLY 1166CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ifx n PHE 1167N -4.15 3.16 -3.52 1.61 7.35 -1.08 -4.82 117.46 116.01 1ifx n PHE 1167Ca -0.20 -2.97 -0.08 0.00 -0.76 0.00 0.00 57.45 53.44 1ifx n PHE 1167Cb 0.66 -2.43 -0.02 0.00 0.35 0.00 0.00 39.48 38.05 1ifx n PHE 1167CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1ifx s PHE 1168N 2.37 -0.30 -0.11 -5.13 -0.12 -1.26 -4.99 117.98 108.44 1ifx s PHE 1168Ca 0.51 0.18 -0.28 0.00 -0.05 0.00 0.00 56.93 57.29 1ifx s PHE 1168Cb 0.14 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 43.05 1ifx s PHE 1168CO -0.07 -0.48 0.94 0.99 -0.05 0.00 0.00 175.22 176.56 1ifx s THR 1169N -2.98 4.83 -0.08 -4.49 2.01 -1.26 -4.95 115.64 108.73 1ifx s THR 1169Ca 0.06 1.90 -0.29 0.00 0.31 0.00 0.00 61.69 63.67 1ifx s THR 1169Cb -0.01 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 1ifx s THR 1169CO -0.08 0.04 1.91 -0.75 -0.69 0.00 0.00 174.62 175.05 1ifx s LYS 1170N 1.87 3.88 -0.19 4.92 2.20 -1.26 -1.27 119.74 129.88 1ifx s LYS 1170Ca 0.45 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 1ifx s LYS 1170Cb -0.18 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 1ifx s LYS 1170CO 0.17 -1.24 0.00 0.66 -0.36 0.00 0.00 175.35 174.59 1ifx n TYR 1171N 8.50 0.00 0.00 4.03 0.53 -1.26 -4.93 117.16 124.04 1ifx n TYR 1171Ca 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 1ifx n TYR 1171Cb 0.43 -0.75 0.00 0.00 -1.03 0.00 0.00 39.34 37.98 1ifx n TYR 1171CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ifx n GLY 1172N -2.15 0.73 0.00 2.72 0.00 -0.40 -4.49 105.19 101.61 1ifx n GLY 1172Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1ifx n GLY 1172CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ifx n ASP 1173N 0.00 0.00 0.19 1.61 3.85 -1.22 -1.62 116.55 119.35 1ifx n ASP 1173Ca 0.00 0.15 0.10 0.00 -0.71 0.00 0.00 54.79 54.33 1ifx n ASP 1173Cb 0.00 -0.33 0.12 0.00 -1.35 0.00 0.00 41.12 39.56 1ifx n ASP 1173CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1ifx h GLY 1174N 2.78 0.00 -7.31 6.12 0.00 -1.78 -3.43 103.07 99.45 1ifx h GLY 1174Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1ifx h GLY 1174CO 0.00 0.00 0.83 -0.32 0.00 0.00 0.00 176.54 177.05 1ifx s GLY 1175N -4.28 1.13 0.21 4.60 0.00 -0.64 -4.74 107.32 103.60 1ifx s GLY 1175Ca 0.05 -1.63 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 1ifx s GLY 1175CO 0.70 2.37 0.19 0.00 0.00 0.00 0.00 173.10 176.36 1ifx s ALA 1176N 4.90 0.92 -0.13 3.20 0.00 -1.26 -4.90 121.76 124.49 1ifx s ALA 1176Ca 0.29 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.65 1ifx s ALA 1176Cb -0.12 1.33 -0.25 0.00 0.00 0.00 0.00 23.12 24.08 1ifx s ALA 1176CO 0.12 -0.64 0.31 -0.25 0.00 0.00 0.00 175.76 175.30 1ifx n ASP 1177N -0.29 2.05 -3.85 0.00 8.00 -0.24 -4.99 116.55 117.24 1ifx n ASP 1177Ca 0.01 0.18 -0.09 0.00 0.71 0.00 0.00 54.79 55.60 1ifx n ASP 1177Cb 0.65 -0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 1ifx n ASP 1177CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ifx s LEU 1178N -6.94 1.38 -0.33 0.64 0.05 -1.17 -5.02 118.68 107.28 1ifx s LEU 1178Ca -0.23 -0.56 -0.01 0.00 0.05 0.00 0.00 54.13 53.38 1ifx s LEU 1178Cb 0.07 1.04 0.11 0.00 -2.05 0.00 0.00 46.19 45.36 1ifx s LEU 1178CO 0.75 -0.69 0.14 -0.76 -0.55 0.00 0.00 176.35 175.25 1ifx s LEU 1179N -2.65 1.75 0.00 1.48 1.43 -1.26 -1.29 118.68 118.14 1ifx s LEU 1179Ca 0.02 -1.78 0.14 0.00 -1.03 0.00 0.00 54.13 51.48 1ifx s LEU 1179Cb 0.03 -0.71 0.62 0.00 0.03 0.00 0.00 46.19 46.16 1ifx s LEU 1179CO -0.09 -0.38 1.41 -0.81 0.23 0.00 0.00 176.35 176.70 1ifx n PRO 1180N 4.64 0.07 -0.21 1.29 -0.04 -1.26 -3.40 135.00 136.09 1ifx n PRO 1180Ca 0.01 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.76 1ifx n PRO 1180Cb 0.40 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.55 1ifx n PRO 1180CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ifx n LEU 1181N -1.42 3.11 -4.68 1.53 4.77 -1.26 -4.92 117.00 114.13 1ifx n LEU 1181Ca 0.04 -1.91 -0.43 0.00 -0.03 0.00 0.00 56.01 53.68 1ifx n LEU 1181Cb 0.14 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1ifx n LEU 1181CO 0.12 0.76 0.90 0.41 -1.33 0.00 0.00 177.39 178.25 1ifx n THR 1182N 0.81 1.71 0.00 -5.08 -1.04 -1.22 -2.56 114.28 106.90 1ifx n THR 1182Ca 0.14 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1ifx n THR 1182Cb 0.47 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1ifx n THR 1182CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ifx n GLY 1183N 1.20 2.72 3.85 3.41 0.00 -1.15 -4.90 105.19 110.32 1ifx n GLY 1183Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1ifx n GLY 1183CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ifx s LEU 1184N 0.00 4.22 0.48 0.99 1.43 -1.06 -3.86 118.68 120.89 1ifx s LEU 1184Ca 0.00 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 54.32 1ifx s LEU 1184Cb 0.00 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1ifx s LEU 1184CO 0.00 -0.04 0.66 0.42 0.23 0.00 0.00 176.35 177.63 1ifx s THR 1185N -1.70 2.80 0.20 5.49 -4.23 -1.26 -1.35 115.64 115.59 1ifx s THR 1185Ca 0.46 -0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 59.97 1ifx s THR 1185Cb -0.13 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 70.93 1ifx s THR 1185CO 0.20 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.64 1ifx h LYS 1186N 0.39 0.96 -0.44 3.99 1.63 -1.97 -0.22 116.57 120.91 1ifx h LYS 1186Ca -0.40 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.24 1ifx h LYS 1186Cb 1.29 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1ifx h LYS 1186CO 0.47 0.65 -0.10 -0.09 -3.45 0.00 0.00 179.45 176.93 1ifx h ARG 1187N 0.98 0.85 -0.44 1.90 2.43 -1.95 -2.15 114.38 116.00 1ifx h ARG 1187Ca 0.26 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1ifx h ARG 1187Cb -0.08 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1ifx h ARG 1187CO -0.05 0.95 -0.08 1.96 -1.51 0.00 0.00 179.97 181.24 1ifx h GLN 1188N 0.68 0.76 0.00 0.20 4.20 -1.89 -2.42 115.11 116.64 1ifx h GLN 1188Ca 0.11 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1ifx h GLN 1188Cb 0.63 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1ifx h GLN 1188CO 0.04 0.82 -0.05 0.78 -0.67 0.00 0.00 178.83 179.76 1ifx h GLY 1189N 0.97 0.00 1.54 3.46 0.00 -0.48 -1.22 103.07 107.34 1ifx h GLY 1189Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.19 1ifx h GLY 1189CO 0.03 0.00 -1.18 -0.09 0.00 0.00 0.00 176.54 175.30 1ifx h ARG 1190N 0.00 0.37 -0.33 4.80 2.43 -0.93 -3.12 114.38 117.59 1ifx h ARG 1190Ca -0.00 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1ifx h ARG 1190Cb 0.27 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1ifx h ARG 1190CO 0.01 1.23 0.22 1.15 -1.51 0.00 0.00 179.97 181.06 1ifx h THR 1191N 0.14 1.08 0.15 0.20 2.02 -0.88 -2.13 112.91 113.50 1ifx h THR 1191Ca -0.14 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1ifx h THR 1191Cb 1.87 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1ifx h THR 1191CO 0.20 0.08 -0.10 -0.07 0.37 0.00 0.00 175.52 176.00 1ifx h LEU 1192N 0.45 -0.25 -0.84 2.58 4.07 -1.55 -1.75 115.31 118.02 1ifx h LEU 1192Ca 0.12 0.02 0.14 0.00 0.08 0.00 0.00 57.88 58.24 1ifx h LEU 1192Cb -0.05 0.08 -0.09 0.00 1.08 0.00 0.00 40.66 41.68 1ifx h LEU 1192CO -0.03 -0.16 0.43 -0.07 -1.08 0.00 0.00 178.44 177.53 1ifx h LEU 1193N -0.25 0.52 -0.61 1.67 3.38 -1.45 0.12 115.31 118.69 1ifx h LEU 1193Ca -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ifx h LEU 1193Cb 0.22 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ifx h LEU 1193CO 0.00 0.22 0.29 0.11 0.09 0.00 0.00 178.44 179.15 1ifx h LYS 1194N 0.62 0.88 -0.74 1.13 1.57 -1.12 -1.58 116.57 117.33 1ifx h LYS 1194Ca 0.45 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1ifx h LYS 1194Cb 0.63 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1ifx h LYS 1194CO -0.36 0.72 0.48 0.93 -0.57 0.00 0.00 179.45 180.65 1ifx h GLU 1195N 0.84 0.99 0.00 3.15 4.39 0.05 -0.98 114.58 123.02 1ifx h GLU 1195Ca 0.21 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ifx h GLU 1195Cb 0.13 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1ifx h GLU 1195CO -0.03 0.67 0.00 1.28 -1.16 0.00 0.00 179.01 179.77 1ifx n LEU 1196N -4.41 0.00 -0.67 1.33 4.77 -0.00 -4.87 117.00 113.15 1ifx n LEU 1196Ca 0.08 0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 56.34 1ifx n LEU 1196Cb 0.04 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1ifx n LEU 1196CO 0.37 -0.09 0.01 0.61 -1.33 0.00 0.00 177.39 176.96 1ifx n GLY 1197N 0.59 0.56 3.79 -0.72 0.00 -0.37 -5.04 105.19 104.00 1ifx n GLY 1197Ca 0.10 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1ifx n GLY 1197CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifx s ALA 1198N -2.68 3.15 0.37 4.61 0.00 -0.67 -5.01 121.76 121.53 1ifx s ALA 1198Ca 0.05 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 1ifx s ALA 1198Cb -0.02 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 1ifx s ALA 1198CO 0.06 0.04 1.44 -2.14 0.00 0.00 0.00 175.76 175.16 1ifx s PRO 1199N -2.32 4.16 0.40 0.00 0.02 -1.26 -4.81 135.00 131.19 1ifx s PRO 1199Ca 0.54 2.48 0.12 0.00 0.02 0.00 0.00 61.00 64.16 1ifx s PRO 1199Cb -0.19 -2.99 0.94 0.00 0.02 0.00 0.00 34.50 32.29 1ifx s PRO 1199CO 0.24 -0.45 1.90 0.93 -0.33 0.00 0.00 177.00 179.29 1ifx h GLU 1200N 3.08 0.53 0.00 5.54 5.08 -1.99 -0.89 114.58 125.93 1ifx h GLU 1200Ca -0.50 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1ifx h GLU 1200Cb 1.24 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ifx h GLU 1200CO 0.64 0.35 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.91 1ifx h ARG 1201N 0.54 0.00 0.10 2.33 9.65 -1.96 -1.00 114.38 124.05 1ifx h ARG 1201Ca 0.39 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 59.01 1ifx h ARG 1201Cb 0.75 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 1ifx h ARG 1201CO -0.15 0.00 -1.24 -0.07 2.80 0.00 0.00 179.97 181.31 1ifx h LEU 1202N 0.00 0.32 -3.11 3.80 3.38 -1.50 -3.34 115.31 114.86 1ifx h LEU 1202Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1ifx h LEU 1202Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ifx h LEU 1202CO 0.00 1.29 0.00 0.00 0.09 0.00 0.00 178.44 179.82 1ifx n TYR 1203N -3.47 1.02 -3.64 1.13 0.18 -0.68 -3.72 117.16 107.97 1ifx n TYR 1203Ca -0.08 -0.66 -0.26 0.00 1.88 0.00 0.00 57.90 58.78 1ifx n TYR 1203Cb 1.01 -0.21 -0.17 0.00 -0.38 0.00 0.00 39.34 39.59 1ifx n TYR 1203CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ifx s LEU 1204N -1.91 0.48 0.00 -3.48 1.43 -0.46 -4.98 118.68 109.76 1ifx s LEU 1204Ca 0.40 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1ifx s LEU 1204Cb 0.27 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1ifx s LEU 1204CO 0.17 -0.33 0.00 2.30 0.23 0.00 0.00 176.35 178.72 1ifx n ILE 1226N 5.24 0.00 -1.60 -0.59 -5.35 -1.26 -5.03 119.36 110.77 1ifx n ILE 1226Ca -0.07 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.99 1ifx n ILE 1226Cb 0.49 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.40 1ifx n ILE 1226CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1ifx n SER 1227N 0.00 1.17 -0.05 7.28 2.88 -1.26 -4.84 113.62 118.80 1ifx n SER 1227Ca 0.00 1.04 -0.06 0.00 -1.33 0.00 0.00 58.87 58.52 1ifx n SER 1227Cb 0.00 -1.34 0.14 0.00 -0.75 0.00 0.00 64.21 62.26 1ifx n SER 1227CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1ifx h TYR 1228N 1.54 0.74 0.00 0.66 0.99 -2.02 -0.55 116.97 118.33 1ifx h TYR 1228Ca -0.44 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.12 1ifx h TYR 1228Cb 1.34 -0.18 -0.00 0.00 1.00 0.00 0.00 36.73 38.89 1ifx h TYR 1228CO 0.43 0.82 -0.04 0.22 -0.00 0.00 0.00 178.16 179.60 1ifx h ASP 1229N 0.58 0.00 0.03 3.88 1.82 -1.99 0.39 116.42 121.13 1ifx h ASP 1229Ca 0.08 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.55 1ifx h ASP 1229Cb 0.69 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.72 1ifx h ASP 1229CO 0.05 0.04 -0.69 -0.33 -1.61 0.00 0.00 179.24 176.71 1ifx h GLU 1230N 0.00 0.41 -0.93 0.28 5.08 -1.68 -2.67 114.58 115.07 1ifx h GLU 1230Ca -0.00 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1ifx h GLU 1230Cb 0.58 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 1ifx h GLU 1230CO 0.01 1.15 0.62 0.82 -1.00 0.00 0.00 179.01 180.60 1ifx h ILE 1231N -0.12 1.22 -0.25 3.13 2.04 -0.41 -1.92 117.51 121.20 1ifx h ILE 1231Ca -0.09 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1ifx h ILE 1231Cb 1.42 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1ifx h ILE 1231CO 0.13 0.23 -0.28 0.44 0.00 0.00 0.00 178.15 178.67 1ifx h ASP 1232N 1.24 0.51 -0.24 1.72 3.32 -0.95 -1.57 116.42 120.45 1ifx h ASP 1232Ca 0.35 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1ifx h ASP 1232Cb -0.11 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1ifx h ASP 1232CO -0.08 0.77 0.09 0.44 -1.72 0.00 0.00 179.24 178.74 1ifx h ASP 1233N 0.44 0.33 -0.38 6.45 3.45 -1.02 0.26 116.42 125.94 1ifx h ASP 1233Ca 0.06 -0.18 -0.02 0.00 0.43 0.00 0.00 57.03 57.32 1ifx h ASP 1233Cb 0.71 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.38 1ifx h ASP 1233CO 0.05 0.42 0.14 0.22 -1.57 0.00 0.00 179.24 178.51 1ifx h TYR 1234N 0.23 0.59 -0.64 4.55 3.20 -1.29 0.24 116.97 123.84 1ifx h TYR 1234Ca 0.08 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1ifx h TYR 1234Cb 0.20 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1ifx h TYR 1234CO -0.01 0.54 0.19 -0.07 -1.64 0.00 0.00 178.16 177.17 1ifx h LEU 1235N 0.47 0.91 0.00 2.82 3.38 -1.14 -1.93 115.31 119.83 1ifx h LEU 1235Ca 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ifx h LEU 1235Cb 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ifx h LEU 1235CO -0.01 0.86 0.00 -0.62 0.09 0.00 0.00 178.44 178.77 1ifx n GLU 1236N -4.27 0.90 -1.45 1.13 1.02 0.07 -4.78 120.64 113.25 1ifx n GLU 1236Ca 0.05 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 1ifx n GLU 1236Cb 0.22 -1.24 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 1ifx n GLU 1236CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ifx n GLY 1237N 0.59 0.53 3.88 0.62 0.00 -0.72 -4.49 105.19 105.60 1ifx n GLY 1237Ca 0.10 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1ifx n GLY 1237CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ifx s LYS 1238N -2.98 3.62 -0.07 1.61 1.02 0.80 -5.00 119.74 118.74 1ifx s LYS 1238Ca 0.00 0.54 -0.30 0.00 0.02 0.00 0.00 55.97 56.24 1ifx s LYS 1238Cb 0.00 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1ifx s LYS 1238CO 0.00 -0.37 1.34 -1.21 -0.92 0.00 0.00 175.35 174.19 1ifx s GLU 1239N -4.82 4.27 0.46 1.68 0.41 -1.26 -4.55 118.70 114.89 1ifx s GLU 1239Ca 0.52 1.83 0.03 0.00 -0.41 0.00 0.00 54.97 56.94 1ifx s GLU 1239Cb -0.11 -3.67 -0.03 0.00 -1.78 0.00 0.00 34.13 28.55 1ifx s GLU 1239CO 0.47 -0.61 0.04 0.14 -0.49 0.00 0.00 175.26 174.81 1ifx s VAL 1240N 2.86 1.10 0.09 2.63 -7.23 -1.26 -5.00 120.40 113.60 1ifx s VAL 1240Ca 0.60 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.54 1ifx s VAL 1240Cb -0.27 -2.34 -0.07 0.00 0.56 0.00 0.00 36.38 34.26 1ifx s VAL 1240CO 0.22 0.00 0.70 -0.94 -0.31 0.00 0.00 175.10 174.77 1ifx s SER 1241N -3.76 7.22 0.47 4.85 1.04 -1.26 -4.92 113.70 117.34 1ifx s SER 1241Ca 0.16 1.45 0.23 0.00 0.48 0.00 0.00 55.95 58.26 1ifx s SER 1241Cb 0.03 -2.44 1.26 0.00 0.10 0.00 0.00 66.02 64.97 1ifx s SER 1241CO 0.08 0.17 1.89 0.00 0.98 0.00 0.00 173.24 176.36 1ifx h ALA 1242N 4.85 2.46 0.09 5.32 0.00 -2.00 0.20 119.26 130.19 1ifx h ALA 1242Ca -0.47 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1ifx h ALA 1242Cb 1.21 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1ifx h ALA 1242CO 0.67 -0.71 -0.48 -0.22 0.00 0.00 0.00 179.25 178.50 1ifx h LYS 1243N 0.21 -0.67 -0.20 0.00 3.64 -2.00 -0.29 116.57 117.26 1ifx h LYS 1243Ca 0.42 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1ifx h LYS 1243Cb 1.32 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1ifx h LYS 1243CO -0.09 -0.45 0.08 0.28 -2.27 0.00 0.00 179.45 177.01 1ifx h VAL 1244N -0.69 1.16 -0.31 2.00 2.07 -1.12 -2.56 116.25 116.80 1ifx h VAL 1244Ca 0.01 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.13 1ifx h VAL 1244Cb 0.72 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 1ifx h VAL 1244CO -0.29 0.15 -0.15 0.28 0.02 0.00 0.00 177.57 177.59 1ifx h SER 1245N 0.18 -0.49 -0.53 0.57 0.02 -0.56 -0.39 113.55 112.35 1ifx h SER 1245Ca 0.07 0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1ifx h SER 1245Cb 0.16 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1ifx h SER 1245CO -0.01 -0.18 0.03 -0.08 -1.14 0.00 0.00 176.83 175.45 1ifx h GLU 1246N -0.10 0.91 -0.50 3.45 4.81 -1.06 -0.20 114.58 121.90 1ifx h GLU 1246Ca 0.16 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1ifx h GLU 1246Cb 0.34 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1ifx h GLU 1246CO -0.37 0.92 0.25 0.00 -0.73 0.00 0.00 179.01 179.08 1ifx h ALA 1247N 0.96 0.64 -0.18 2.92 0.00 -1.10 -2.66 119.26 119.84 1ifx h ALA 1247Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ifx h ALA 1247Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ifx h ALA 1247CO 0.02 0.19 0.02 -0.07 0.00 0.00 0.00 179.25 179.41 1ifx h LEU 1248N 0.66 0.29 -2.30 0.00 3.38 -0.90 -2.25 115.31 114.20 1ifx h LEU 1248Ca 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1ifx h LEU 1248Cb 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ifx h LEU 1248CO -0.02 0.50 -0.04 -0.33 0.09 0.00 0.00 178.44 178.63 1ifx h GLU 1249N 0.08 0.00 0.19 1.13 5.08 -0.94 -2.14 114.58 117.98 1ifx h GLU 1249Ca 0.05 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.07 1ifx h GLU 1249Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1ifx h GLU 1249CO 0.01 0.04 -1.65 -0.22 -1.00 0.00 0.00 179.01 176.19 1ifx h LYS 1250N 0.00 0.41 -0.47 2.33 3.64 -1.38 -2.95 116.57 118.15 1ifx h LYS 1250Ca -0.00 -0.70 -0.03 0.00 -1.27 0.00 0.00 60.65 58.65 1ifx h LYS 1250Cb 0.13 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1ifx h LYS 1250CO 0.01 1.34 0.15 -0.09 -2.27 0.00 0.00 179.45 178.58 1ifx h ARG 1251N 0.06 0.69 0.66 1.90 9.65 -1.09 -1.46 114.38 124.79 1ifx h ARG 1251Ca -0.32 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.41 1ifx h ARG 1251Cb 2.07 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 30.54 1ifx h ARG 1251CO 0.19 0.60 -0.32 -0.92 2.80 0.00 0.00 179.97 182.32 1ifx h TYR 1252N 0.68 -0.82 0.00 2.20 3.20 -1.46 -1.41 116.97 119.35 1ifx h TYR 1252Ca 0.16 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1ifx h TYR 1252Cb 0.20 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1ifx h TYR 1252CO 0.01 -0.48 -0.04 0.66 -1.64 0.00 0.00 178.16 176.67 1ifx h SER 1253N -1.03 0.00 0.64 -2.11 4.64 -1.43 -1.07 113.55 113.18 1ifx h SER 1253Ca -0.09 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 1ifx h SER 1253Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1ifx h SER 1253CO 0.15 0.04 -0.34 0.24 -0.87 0.00 0.00 176.83 176.05 1ifx h MET 1254N 0.00 0.00 -0.46 4.77 2.86 -0.99 -3.12 114.93 117.99 1ifx h MET 1254Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ifx h MET 1254Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1ifx h MET 1254CO 0.01 0.34 0.00 0.25 1.06 0.00 0.00 176.91 178.57 1ifx n THR 1255N -3.70 0.93 -0.29 2.22 -2.24 -0.46 -4.70 114.28 106.04 1ifx n THR 1255Ca -0.01 -0.96 0.18 0.00 -2.27 0.00 0.00 64.05 60.98 1ifx n THR 1255Cb 0.44 0.56 0.45 0.00 -2.10 0.00 0.00 70.33 69.69 1ifx n THR 1255CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ifx h GLU 1256N 2.89 0.50 -0.47 -0.78 4.57 -1.35 -0.84 114.58 119.11 1ifx h GLU 1256Ca 0.00 -0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.29 1ifx h GLU 1256Cb 0.82 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1ifx h GLU 1256CO 0.00 0.33 0.36 1.12 -1.18 0.00 0.00 179.01 179.65 1ifx h HIS 1257N 0.51 0.00 0.00 0.92 2.07 -1.85 0.33 115.15 117.13 1ifx h HIS 1257Ca 0.52 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.04 1ifx h HIS 1257Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1ifx h HIS 1257CO -0.00 0.00 -0.07 1.63 -3.07 0.00 0.00 177.93 176.42 1ifx n LYS 1258N -4.22 0.08 -0.17 5.12 5.02 -0.32 -3.37 118.16 120.29 1ifx n LYS 1258Ca 0.08 0.06 0.10 0.00 -2.02 0.00 0.00 58.31 56.53 1ifx n LYS 1258Cb 0.57 -1.58 0.19 0.00 -0.02 0.00 0.00 35.03 34.18 1ifx n LYS 1258CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ifx n ARG 1259N -1.71 2.32 -4.37 1.97 1.74 0.11 -4.99 116.66 111.73 1ifx n ARG 1259Ca 0.06 -2.13 -0.20 0.00 -0.77 0.00 0.00 57.85 54.82 1ifx n ARG 1259Cb 0.37 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 1ifx n ARG 1259CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ifx s GLN 1260N -1.30 1.62 0.55 5.56 -1.52 -1.10 -5.10 119.66 118.36 1ifx s GLN 1260Ca 0.33 -1.93 -0.12 0.00 -1.95 0.00 0.00 55.36 51.69 1ifx s GLN 1260Cb 0.19 -0.24 -0.05 0.00 -0.22 0.00 0.00 33.01 32.69 1ifx s GLN 1260CO 0.27 -0.42 0.95 0.08 -0.25 0.00 0.00 175.29 175.92 1ifx s VAL 1261N -3.54 4.69 0.24 1.09 1.01 -1.26 -4.96 120.40 117.67 1ifx s VAL 1261Ca 0.34 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 1ifx s VAL 1261Cb 0.05 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.47 1ifx s VAL 1261CO 0.17 -0.90 0.80 -2.65 0.00 0.00 0.00 175.10 172.52 1ifx n PRO 1262N -2.17 0.71 -2.41 2.72 -0.02 -1.26 -4.90 135.00 127.68 1ifx n PRO 1262Ca 0.05 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.40 1ifx n PRO 1262Cb 0.54 -1.47 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 1ifx n PRO 1262CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ifx s ALA 1263N -0.95 3.22 0.25 3.55 0.00 -1.26 -5.07 121.76 121.49 1ifx s ALA 1263Ca 0.63 0.88 0.02 0.00 0.00 0.00 0.00 51.96 53.49 1ifx s ALA 1263Cb -0.83 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 18.90 1ifx s ALA 1263CO 0.58 -0.34 0.07 -1.54 0.00 0.00 0.00 175.76 174.52 1ifx s SER 1264N -1.16 1.41 0.19 0.00 1.04 -1.26 -5.03 113.70 108.90 1ifx s SER 1264Ca 0.53 -1.33 0.17 0.00 0.48 0.00 0.00 55.95 55.80 1ifx s SER 1264Cb -0.29 0.11 0.80 0.00 0.10 0.00 0.00 66.02 66.74 1ifx s SER 1264CO 0.37 -0.67 1.51 1.15 0.98 0.00 0.00 173.24 176.58 1ifx n MET 1265N -0.45 0.11 0.00 4.02 0.00 -1.26 -1.99 117.12 117.54 1ifx n MET 1265Ca -0.02 0.49 0.14 0.00 0.00 0.00 0.00 57.70 58.32 1ifx n MET 1265Cb 0.66 -1.78 0.54 0.00 0.00 0.00 0.00 33.22 32.64 1ifx n MET 1265CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1ifx n PHE 1266N -1.99 0.00 -4.04 3.17 3.01 -1.26 -4.90 117.46 111.46 1ifx n PHE 1266Ca 0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1ifx n PHE 1266Cb 0.10 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.53 1ifx n PHE 1266CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ifx s ASP 1267N -2.02 5.86 0.00 4.37 -0.00 -0.84 -5.06 116.67 118.97 1ifx s ASP 1267Ca 0.38 -0.05 0.00 0.00 -0.00 0.00 0.00 52.55 52.88 1ifx s ASP 1267Cb 0.21 -1.62 0.00 0.00 -0.00 0.00 0.00 42.92 41.51 1ifx s ASP 1267CO 0.35 0.02 0.00 0.47 -0.00 0.00 0.00 175.17 176.00 1ifx n ASP 1268N -0.77 4.80 0.17 0.27 8.00 -1.26 -4.76 116.55 122.99 1ifx n ASP 1268Ca -0.08 -0.02 0.19 0.00 0.71 0.00 0.00 54.79 55.59 1ifx n ASP 1268Cb 0.56 1.00 0.79 0.00 -0.02 0.00 0.00 41.12 43.45 1ifx n ASP 1268CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1ifx h TRP 1269N 0.00 0.00 -0.00 1.24 5.08 -1.98 -1.63 115.95 118.66 1ifx h TRP 1269Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1ifx h TRP 1269Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1ifx h TRP 1269CO 0.00 0.00 -0.22 -2.67 -1.28 0.00 0.00 178.44 174.27 1ifx n TRP 1270N -3.63 0.00 1.93 0.12 4.27 -1.26 -5.06 117.44 113.82 1ifx n TRP 1270Ca 0.04 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.80 1ifx n TRP 1270Cb 0.47 -0.33 0.92 0.00 -1.36 0.00 0.00 31.31 31.01 1ifx n TRP 1270CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03