#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1a s LYS 1003N 0.00 4.18 0.50 1.47 1.02 -1.26 -4.99 119.74 120.66 3i1a s LYS 1003Ca 0.00 1.71 -0.22 0.00 0.02 0.00 0.00 55.97 57.48 3i1a s LYS 1003Cb 0.00 -3.82 -0.06 0.00 -0.52 0.00 0.00 37.83 33.43 3i1a s LYS 1003CO 0.00 -0.79 1.21 -0.65 -0.92 0.00 0.00 175.35 174.20 3i1a s GLN 1004N 3.69 3.48 0.51 1.68 -0.21 -1.26 -4.93 119.66 122.63 3i1a s GLN 1004Ca 0.58 1.87 0.30 0.00 0.02 0.00 0.00 55.36 58.13 3i1a s GLN 1004Cb -0.23 -2.27 1.26 0.00 1.00 0.00 0.00 33.01 32.77 3i1a s GLN 1004CO 0.18 -0.81 1.95 -1.00 -2.12 0.00 0.00 175.29 173.50 3i1a h PRO 1005N 1.68 0.00 -4.06 2.91 0.13 -1.96 -3.46 132.00 127.25 3i1a h PRO 1005Ca -0.50 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 3i1a h PRO 1005Cb 1.27 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 3i1a h PRO 1005CO 0.59 0.09 -0.36 0.96 -0.23 0.00 0.00 178.00 179.05 3i1a s ILE 1006N -3.74 0.02 0.05 -3.56 -4.36 -1.26 -5.10 121.20 103.25 3i1a s ILE 1006Ca 0.00 -1.63 -0.19 0.00 -0.26 0.00 0.00 60.65 58.57 3i1a s ILE 1006Cb 0.10 -2.21 -0.06 0.00 1.25 0.00 0.00 42.46 41.53 3i1a s ILE 1006CO 0.57 -0.09 0.56 -1.58 0.24 0.00 0.00 174.94 174.64 3i1a s GLN 1007N -4.06 4.20 0.33 0.37 -0.44 -1.26 -4.96 119.66 113.84 3i1a s GLN 1007Ca 0.27 0.70 0.12 0.00 -2.50 0.00 0.00 55.36 53.95 3i1a s GLN 1007Cb 0.03 -3.26 1.01 0.00 -1.64 0.00 0.00 33.01 29.15 3i1a s GLN 1007CO 0.08 0.59 1.68 0.00 0.50 0.00 0.00 175.29 178.14 3i1a h ALA 1008N 4.79 1.87 0.00 1.58 0.00 -1.98 -1.06 119.26 124.45 3i1a h ALA 1008Ca -0.49 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i1a h ALA 1008Cb 1.21 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i1a h ALA 1008CO 0.65 -0.48 -0.00 1.96 0.00 0.00 0.00 179.25 181.38 3i1a h GLN 1009N 0.39 0.00 0.00 0.00 1.08 -1.93 -1.40 115.11 113.25 3i1a h GLN 1009Ca 0.70 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.90 3i1a h GLN 1009Cb 1.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 3i1a h GLN 1009CO -0.57 0.00 0.00 1.96 -0.95 0.00 0.00 178.83 179.27 3i1a h GLN 1010N 0.00 0.00 0.00 1.46 4.20 -1.58 -2.46 115.11 116.73 3i1a h GLN 1010Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3i1a h GLN 1010Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3i1a h GLN 1010CO 0.00 0.00 -0.14 -0.07 -0.67 0.00 0.00 178.83 177.95 3i1a h LEU 1011N 0.00 0.00 0.30 1.46 3.38 -1.42 -0.88 115.31 118.15 3i1a h LEU 1011Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i1a h LEU 1011Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i1a h LEU 1011CO 0.00 0.14 -0.14 0.40 0.09 0.00 0.00 178.44 178.93 3i1a h ILE 1012N 0.00 0.72 -0.45 1.22 2.04 -1.65 0.18 117.51 119.56 3i1a h ILE 1012Ca -0.00 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3i1a h ILE 1012Cb 0.32 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3i1a h ILE 1012CO 0.02 0.02 0.07 -0.08 0.00 0.00 0.00 178.15 178.17 3i1a h GLU 1013N -0.45 0.75 -0.56 2.37 4.81 -1.68 -2.06 114.58 117.76 3i1a h GLU 1013Ca -0.04 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 3i1a h GLU 1013Cb 0.34 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3i1a h GLU 1013CO 0.07 0.77 0.36 -0.07 -0.73 0.00 0.00 179.01 179.41 3i1a h LEU 1014N 0.61 0.61 -0.59 1.64 3.38 -0.97 0.34 115.31 120.33 3i1a h LEU 1014Ca 0.14 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3i1a h LEU 1014Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3i1a h LEU 1014CO 0.01 0.44 -0.49 -0.07 0.09 0.00 0.00 178.44 178.41 3i1a h LEU 1015N 0.73 0.58 0.22 1.67 3.38 -0.58 -1.24 115.31 120.06 3i1a h LEU 1015Ca 0.21 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3i1a h LEU 1015Cb -0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3i1a h LEU 1015CO -0.06 0.98 -0.11 0.50 0.09 0.00 0.00 178.44 179.84 3i1a h LYS 1016N 0.42 -0.28 -0.15 1.13 1.63 -1.05 -0.35 116.57 117.92 3i1a h LYS 1016Ca 0.02 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3i1a h LYS 1016Cb 1.02 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 3i1a h LYS 1016CO 0.09 0.01 0.08 0.28 -3.45 0.00 0.00 179.45 176.46 3i1a h VAL 1017N -0.57 1.10 0.00 2.00 2.07 -0.95 -1.43 116.25 118.47 3i1a h VAL 1017Ca -0.03 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3i1a h VAL 1017Cb 0.42 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3i1a h VAL 1017CO 0.05 0.10 -1.26 1.41 0.02 0.00 0.00 177.57 177.88 3i1a n HIS 1018N -4.92 0.76 0.00 1.57 8.25 -0.47 -4.55 115.22 115.85 3i1a n HIS 1018Ca -0.04 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3i1a n HIS 1018Cb 0.08 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.31 3i1a n HIS 1018CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3i1a n TYR 1019N -2.60 0.00 -1.27 4.41 4.02 -0.22 -1.20 117.16 120.30 3i1a n TYR 1019Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.80 3i1a n TYR 1019Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.87 3i1a n TYR 1019CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1a n GLY 1020N 1.17 0.89 3.52 2.72 0.00 -0.54 -4.56 105.19 108.40 3i1a n GLY 1020Ca 0.00 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 3i1a n GLY 1020CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1a s ILE 1021N -2.28 4.51 -0.25 -0.61 1.01 -0.93 -4.93 121.20 117.73 3i1a s ILE 1021Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 3i1a s ILE 1021Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3i1a s ILE 1021CO 0.00 0.38 0.36 -1.81 0.00 0.00 0.00 174.94 173.88 3i1a s ASP 1022N 1.11 6.28 0.17 3.58 1.01 -1.26 -2.63 116.67 124.93 3i1a s ASP 1022Ca 0.04 0.32 0.09 0.00 0.71 0.00 0.00 52.55 53.71 3i1a s ASP 1022Cb -0.14 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 3i1a s ASP 1022CO 0.03 -0.14 -0.19 0.27 0.21 0.00 0.00 175.17 175.35 3i1a s ILE 1023N 1.84 1.86 -0.31 0.77 -4.36 -1.26 -4.56 121.20 115.17 3i1a s ILE 1023Ca 0.15 -1.92 0.11 0.00 -0.26 0.00 0.00 60.65 58.73 3i1a s ILE 1023Cb -0.15 -1.86 -0.14 0.00 1.25 0.00 0.00 42.46 41.55 3i1a s ILE 1023CO 0.09 -0.30 0.38 0.00 0.24 0.00 0.00 174.94 175.35 3i1a n HIS 1024N 0.29 0.00 -3.78 1.37 1.44 -0.43 -4.93 115.22 109.18 3i1a n HIS 1024Ca -0.13 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.44 3i1a n HIS 1024Cb 0.57 -0.11 -0.15 0.00 0.12 0.00 0.00 29.99 30.43 3i1a n HIS 1024CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3i1a s THR 1025N -2.35 -0.04 -0.04 0.61 2.01 -1.14 -5.03 115.64 109.67 3i1a s THR 1025Ca 0.01 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.17 3i1a s THR 1025Cb 0.08 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.45 3i1a s THR 1025CO 0.46 0.06 -0.06 0.00 -0.69 0.00 0.00 174.62 174.39 3i1a s ALA 1026N 0.86 0.74 -0.00 7.40 0.00 -1.26 -1.29 121.76 128.20 3i1a s ALA 1026Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3i1a s ALA 1026Cb -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.66 3i1a s ALA 1026CO -0.03 0.06 -0.01 -0.65 0.00 0.00 0.00 175.76 175.12 3i1a s GLN 1027N 0.58 0.11 0.23 0.00 -0.21 -0.62 -4.68 119.66 115.06 3i1a s GLN 1027Ca -0.08 -0.03 -0.29 0.00 0.02 0.00 0.00 55.36 54.98 3i1a s GLN 1027Cb -0.12 -0.13 -0.09 0.00 1.00 0.00 0.00 33.01 33.68 3i1a s GLN 1027CO 0.01 0.01 0.92 0.12 -2.12 0.00 0.00 175.29 174.22 3i1a s PHE 1028N 0.08 3.98 -0.25 0.91 5.36 -1.26 -1.00 117.98 125.80 3i1a s PHE 1028Ca -0.01 1.88 -0.00 0.00 -0.96 0.00 0.00 56.93 57.84 3i1a s PHE 1028Cb -0.02 -2.95 0.04 0.00 -0.34 0.00 0.00 43.02 39.75 3i1a s PHE 1028CO -0.00 0.46 -0.09 0.96 -1.46 0.00 0.00 175.22 175.10 3i1a s ILE 1029N -1.16 2.58 0.11 3.12 -4.36 -0.13 -4.91 121.20 116.45 3i1a s ILE 1029Ca 0.40 -1.23 -0.30 0.00 -0.26 0.00 0.00 60.65 59.27 3i1a s ILE 1029Cb -0.26 -2.36 -0.06 0.00 1.25 0.00 0.00 42.46 41.04 3i1a s ILE 1029CO 0.31 0.14 1.00 -1.58 0.24 0.00 0.00 174.94 175.06 3i1a s GLN 1030N 1.25 4.65 0.00 0.37 0.74 -1.26 -2.93 119.66 122.47 3i1a s GLN 1030Ca -0.02 1.52 0.00 0.00 0.05 0.00 0.00 55.36 56.90 3i1a s GLN 1030Cb -0.17 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3i1a s GLN 1030CO -0.05 0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 3i1a n GLY 1031N 2.35 1.43 0.11 2.59 0.00 -1.26 -4.88 105.19 105.53 3i1a n GLY 1031Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3i1a n GLY 1031CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1a n GLY 1032N -2.00 -0.69 3.60 -0.02 0.00 -1.15 -4.73 105.19 100.20 3i1a n GLY 1032Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.15 3i1a n GLY 1032CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1a s ALA 1033N -3.30 -2.31 0.19 4.61 0.00 -1.26 -4.82 121.76 114.87 3i1a s ALA 1033Ca -0.01 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.05 3i1a s ALA 1033Cb 0.04 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 3i1a s ALA 1033CO 0.12 -0.92 0.04 -0.40 0.00 0.00 0.00 175.76 174.60 3i1a n ASP 1034N -0.37 1.62 0.00 0.00 3.85 -1.26 -4.89 116.55 115.50 3i1a n ASP 1034Ca -0.06 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 3i1a n ASP 1034Cb 0.62 0.33 0.00 0.00 -1.35 0.00 0.00 41.12 40.72 3i1a n ASP 1034CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3i1a n THR 1035N -0.44 0.00 -3.40 2.12 -1.04 -1.26 -2.71 114.28 107.54 3i1a n THR 1035Ca -0.05 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.60 3i1a n THR 1035Cb 0.26 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.73 3i1a n THR 1035CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3i1a n ASN 1036N 6.70 4.78 -3.61 8.00 5.15 -1.26 -4.91 115.26 130.10 3i1a n ASN 1036Ca 0.00 -3.27 -0.03 0.00 -0.60 0.00 0.00 54.58 50.68 3i1a n ASN 1036Cb 0.00 -1.04 -0.06 0.00 -0.53 0.00 0.00 39.78 38.15 3i1a n ASN 1036CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i1a s ALA 1037N -2.01 -2.21 -0.10 5.20 0.00 -1.10 -4.54 121.76 117.01 3i1a s ALA 1037Ca 0.32 2.26 -0.00 0.00 0.00 0.00 0.00 51.96 54.53 3i1a s ALA 1037Cb 0.01 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3i1a s ALA 1037CO -0.04 -0.47 -0.07 -0.06 0.00 0.00 0.00 175.76 175.12 3i1a s PHE 1038N 1.66 1.36 -0.03 0.00 0.40 -0.01 -4.26 117.98 117.11 3i1a s PHE 1038Ca -0.08 -0.64 -0.01 0.00 -0.60 0.00 0.00 56.93 55.60 3i1a s PHE 1038Cb -0.05 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 3i1a s PHE 1038CO -0.17 -0.46 0.06 0.00 0.70 0.00 0.00 175.22 175.35 3i1a s ALA 1039N 1.62 3.51 0.09 5.36 0.00 -1.26 -0.63 121.76 130.45 3i1a s ALA 1039Ca 0.03 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.17 3i1a s ALA 1039Cb -0.13 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3i1a s ALA 1039CO -0.07 0.66 -0.10 0.71 0.00 0.00 0.00 175.76 176.97 3i1a s TYR 1040N -1.12 1.03 -0.20 0.00 1.51 0.61 -0.96 117.35 118.22 3i1a s TYR 1040Ca 0.20 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.56 3i1a s TYR 1040Cb -0.12 -0.57 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 3i1a s TYR 1040CO 0.11 -0.01 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.38 3i1a s GLN 1041N -2.74 3.54 -0.10 -0.62 0.74 -0.17 -0.74 119.66 119.56 3i1a s GLN 1041Ca 0.05 -0.56 0.04 0.00 0.05 0.00 0.00 55.36 54.94 3i1a s GLN 1041Cb -0.03 -3.05 -0.00 0.00 1.10 0.00 0.00 33.01 31.03 3i1a s GLN 1041CO -0.00 -0.04 -0.24 0.00 -0.55 0.00 0.00 175.29 174.46 3i1a s ALA 1042N 1.12 2.19 -0.02 1.58 0.00 0.20 -1.58 121.76 125.25 3i1a s ALA 1042Ca 0.02 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.07 3i1a s ALA 1042Cb -0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 3i1a s ALA 1042CO 0.01 0.29 -0.20 -0.51 0.00 0.00 0.00 175.76 175.35 3i1a s ASP 1043N 0.32 2.41 0.52 0.00 1.01 -0.41 0.47 116.67 120.99 3i1a s ASP 1043Ca -0.18 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.72 3i1a s ASP 1043Cb -0.18 -0.31 0.00 0.00 1.01 0.00 0.00 42.92 43.45 3i1a s ASP 1043CO 0.09 0.25 0.05 -0.94 0.21 0.00 0.00 175.17 174.83 3i1a s SER 1044N -0.44 4.21 0.25 0.27 1.04 0.08 -1.32 113.70 117.80 3i1a s SER 1044Ca 0.07 -1.63 -0.06 0.00 0.48 0.00 0.00 55.95 54.81 3i1a s SER 1044Cb -0.08 0.60 0.28 0.00 0.10 0.00 0.00 66.02 66.91 3i1a s SER 1044CO -0.00 -0.92 1.92 -0.33 0.98 0.00 0.00 173.24 174.89 3i1a h GLU 1045N 1.23 1.29 0.00 4.02 3.07 -1.99 -3.28 114.58 118.92 3i1a h GLU 1045Ca -0.43 -0.09 -0.16 0.00 -0.50 0.00 0.00 59.36 58.18 3i1a h GLU 1045Cb 1.32 -0.28 -0.03 0.00 -0.84 0.00 0.00 28.75 28.92 3i1a h GLU 1045CO 0.71 0.86 -1.80 -1.13 -1.40 0.00 0.00 179.01 176.26 3i1a n SER 1046N -4.38 0.40 -4.08 1.42 3.41 -1.26 -5.03 113.62 104.11 3i1a n SER 1046Ca 0.11 0.17 -0.09 0.00 -0.26 0.00 0.00 58.87 58.81 3i1a n SER 1046Cb 0.03 0.91 -0.09 0.00 -0.26 0.00 0.00 64.21 64.79 3i1a n SER 1046CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i1a s LYS 1047N -3.01 0.87 -0.04 4.33 1.02 -1.24 -5.15 119.74 116.51 3i1a s LYS 1047Ca -0.06 -1.30 0.05 0.00 0.02 0.00 0.00 55.97 54.69 3i1a s LYS 1047Cb 0.10 0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 37.66 3i1a s LYS 1047CO 0.84 -0.24 -0.21 0.45 -0.92 0.00 0.00 175.35 175.27 3i1a s SER 1048N -2.99 2.59 0.10 2.83 0.15 -1.26 -0.74 113.70 114.37 3i1a s SER 1048Ca 0.17 -0.42 0.09 0.00 0.70 0.00 0.00 55.95 56.48 3i1a s SER 1048Cb 0.07 -0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 3i1a s SER 1048CO -0.03 0.21 -0.22 -0.31 1.20 0.00 0.00 173.24 174.09 3i1a s TYR 1049N -0.14 1.89 -0.27 3.44 2.02 0.18 -0.30 117.35 124.16 3i1a s TYR 1049Ca -0.02 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 3i1a s TYR 1049Cb -0.12 -1.05 0.02 0.00 -0.40 0.00 0.00 41.96 40.41 3i1a s TYR 1049CO 0.02 0.21 0.01 0.12 -1.57 0.00 0.00 175.55 174.34 3i1a s PHE 1050N -1.09 3.11 -0.13 2.71 2.19 0.15 -0.63 117.98 124.29 3i1a s PHE 1050Ca 0.08 -1.27 -0.02 0.00 0.33 0.00 0.00 56.93 56.05 3i1a s PHE 1050Cb -0.10 -2.15 -0.02 0.00 -1.31 0.00 0.00 43.02 39.44 3i1a s PHE 1050CO 0.04 -0.65 -0.08 0.42 1.83 0.00 0.00 175.22 176.78 3i1a s ILE 1051N 1.41 3.49 -0.17 3.12 -1.09 0.08 -0.64 121.20 127.40 3i1a s ILE 1051Ca 0.01 -0.51 -0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3i1a s ILE 1051Cb -0.17 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 3i1a s ILE 1051CO -0.01 0.52 -0.14 -0.75 -1.23 0.00 0.00 174.94 173.33 3i1a s LYS 1052N 0.23 3.21 -0.11 2.79 2.20 -0.29 -0.29 119.74 127.48 3i1a s LYS 1052Ca -0.06 -0.74 -0.02 0.00 -0.36 0.00 0.00 55.97 54.80 3i1a s LYS 1052Cb -0.15 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 3i1a s LYS 1052CO 0.04 -0.07 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.42 3i1a s LEU 1053N 1.04 3.33 -0.04 5.43 1.43 0.19 -1.10 118.68 128.97 3i1a s LEU 1053Ca -0.01 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3i1a s LEU 1053Cb -0.15 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3i1a s LEU 1053CO -0.03 0.28 -0.07 -0.54 0.23 0.00 0.00 176.35 176.22 3i1a s LYS 1054N -0.33 0.95 0.62 1.70 1.02 -0.62 -0.83 119.74 122.25 3i1a s LYS 1054Ca 0.06 -0.22 -0.17 0.00 0.02 0.00 0.00 55.97 55.65 3i1a s LYS 1054Cb -0.12 -0.89 -0.02 0.00 -0.52 0.00 0.00 37.83 36.28 3i1a s LYS 1054CO 0.02 0.02 1.16 0.71 -0.92 0.00 0.00 175.35 176.34 3i1a s TYR 1055N 0.53 2.49 0.00 3.18 2.02 -1.26 0.20 117.35 124.51 3i1a s TYR 1055Ca -0.08 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.17 3i1a s TYR 1055Cb -0.12 -3.33 0.00 0.00 -0.40 0.00 0.00 41.96 38.11 3i1a s TYR 1055CO 0.01 -1.93 0.00 0.41 -1.57 0.00 0.00 175.55 172.47 3i1a n GLY 1056N 0.08 0.90 0.06 0.71 0.00 -0.62 -4.79 105.19 101.53 3i1a n GLY 1056Ca 0.12 -2.08 0.01 0.00 0.00 0.00 0.00 46.02 44.07 3i1a n GLY 1056CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i1a n TYR 1057N 0.80 0.00 -2.68 1.61 0.18 -1.26 -4.06 117.16 111.75 3i1a n TYR 1057Ca 0.00 -0.29 -0.37 0.00 1.88 0.00 0.00 57.90 59.12 3i1a n TYR 1057Cb 0.00 -0.04 -0.05 0.00 -0.38 0.00 0.00 39.34 38.87 3i1a n TYR 1057CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 3i1a s HIS 1058N -0.67 3.50 0.42 -3.48 2.46 -1.26 -4.99 115.29 111.26 3i1a s HIS 1058Ca 0.03 1.72 -0.27 0.00 0.47 0.00 0.00 55.06 57.01 3i1a s HIS 1058Cb 0.03 -3.01 -0.10 0.00 -0.13 0.00 0.00 32.58 29.37 3i1a s HIS 1058CO 0.00 -0.16 1.47 -0.51 -2.47 0.00 0.00 174.74 173.07 3i1a s ASP 1059N -1.60 6.08 -0.31 9.88 1.01 -1.26 -4.97 116.67 125.51 3i1a s ASP 1059Ca 0.54 3.01 -0.17 0.00 0.71 0.00 0.00 52.55 56.64 3i1a s ASP 1059Cb -0.20 -2.66 -0.02 0.00 1.01 0.00 0.00 42.92 41.05 3i1a s ASP 1059CO 0.25 -1.05 0.45 -1.61 0.21 0.00 0.00 175.17 173.42 3i1a s GLU 1060N -2.29 3.81 0.38 8.23 0.41 -1.26 -4.92 118.70 123.06 3i1a s GLU 1060Ca 0.57 -0.06 0.06 0.00 -0.41 0.00 0.00 54.97 55.13 3i1a s GLU 1060Cb -0.46 -3.74 0.78 0.00 -1.78 0.00 0.00 34.13 28.94 3i1a s GLU 1060CO 0.60 -0.46 2.00 0.97 -0.49 0.00 0.00 175.26 177.88 3i1a h ILE 1061N 5.50 1.07 -0.39 -1.63 6.09 -1.91 -2.13 117.51 124.11 3i1a h ILE 1061Ca -0.29 -0.24 0.05 0.00 -1.37 0.00 0.00 64.86 63.01 3i1a h ILE 1061Cb 1.14 0.32 -0.08 0.00 0.47 0.00 0.00 36.82 38.67 3i1a h ILE 1061CO 0.71 0.13 -0.55 -1.13 -3.07 0.00 0.00 178.15 174.24 3i1a h ASN 1062N 0.69 -1.82 -0.13 2.19 -0.00 -1.84 -1.65 115.58 113.02 3i1a h ASN 1062Ca 0.24 0.24 -0.02 0.00 -0.00 0.00 0.00 56.30 56.76 3i1a h ASN 1062Cb 0.10 0.75 -0.01 0.00 -0.00 0.00 0.00 38.32 39.16 3i1a h ASN 1062CO -0.07 -0.41 0.04 -0.07 -0.00 0.00 0.00 177.43 176.93 3i1a h LEU 1063N -0.40 0.24 -0.13 0.34 3.38 -1.71 -0.16 115.31 116.86 3i1a h LEU 1063Ca 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3i1a h LEU 1063Cb 0.60 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i1a h LEU 1063CO -0.59 0.25 -0.04 0.28 0.09 0.00 0.00 178.44 178.44 3i1a h SER 1064N 0.27 0.27 -0.38 -0.43 0.02 -1.21 -2.36 113.55 109.72 3i1a h SER 1064Ca 0.07 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.57 3i1a h SER 1064Cb 0.12 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3i1a h SER 1064CO -0.00 0.59 -0.02 0.40 -1.14 0.00 0.00 176.83 176.65 3i1a h ILE 1065N -0.06 1.26 -0.38 3.27 1.08 -0.89 -1.07 117.51 120.73 3i1a h ILE 1065Ca 0.03 -1.04 -0.06 0.00 -0.39 0.00 0.00 64.86 63.40 3i1a h ILE 1065Cb 0.47 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 3i1a h ILE 1065CO 0.01 0.35 -0.02 0.16 -0.69 0.00 0.00 178.15 177.96 3i1a h ILE 1066N 0.50 1.22 -0.30 -0.67 3.07 -1.09 -0.47 117.51 119.77 3i1a h ILE 1066Ca 0.10 -0.91 -0.06 0.00 1.55 0.00 0.00 64.86 65.55 3i1a h ILE 1066Cb 0.50 0.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.00 3i1a h ILE 1066CO 0.02 0.31 -0.03 -0.09 -1.05 0.00 0.00 178.15 177.31 3i1a h ARG 1067N 0.57 0.56 -0.14 0.16 2.43 -1.25 0.11 114.38 116.82 3i1a h ARG 1067Ca 0.12 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3i1a h ARG 1067Cb 0.40 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3i1a h ARG 1067CO 0.02 0.72 -0.06 1.25 -1.51 0.00 0.00 179.97 180.39 3i1a h LEU 1068N 0.33 -0.21 -0.22 3.80 5.85 -0.66 0.31 115.31 124.51 3i1a h LEU 1068Ca 0.08 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3i1a h LEU 1068Cb 0.50 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3i1a h LEU 1068CO 0.02 -0.09 0.08 -0.07 -0.34 0.00 0.00 178.44 178.04 3i1a h LEU 1069N -0.05 0.31 -0.33 2.25 3.38 -1.01 -2.74 115.31 117.13 3i1a h LEU 1069Ca 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3i1a h LEU 1069Cb 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3i1a h LEU 1069CO -0.17 0.41 0.18 -0.74 0.09 0.00 0.00 178.44 178.21 3i1a h HIS 1070N 0.19 0.45 -0.02 1.13 2.76 -0.46 -2.48 115.15 116.73 3i1a h HIS 1070Ca 0.07 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3i1a h HIS 1070Cb 0.21 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 3i1a h HIS 1070CO -0.00 0.37 0.01 -0.44 -1.30 0.00 0.00 177.93 176.56 3i1a h ASP 1071N 0.41 0.00 0.65 3.26 3.32 -0.35 -0.35 116.42 123.36 3i1a h ASP 1071Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3i1a h ASP 1071Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3i1a h ASP 1071CO -0.02 0.00 -0.01 -1.54 -1.72 0.00 0.00 179.24 175.95 3i1a n SER 1072N -4.22 0.02 0.00 6.45 3.41 -0.97 -4.90 113.62 113.42 3i1a n SER 1072Ca -0.03 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3i1a n SER 1072Cb 0.10 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3i1a n SER 1072CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1a n GLY 1073N 1.33 0.96 3.60 5.00 0.00 -0.14 -5.07 105.19 110.88 3i1a n GLY 1073Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3i1a n GLY 1073CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1a s ILE 1074N -2.00 4.23 -0.88 -0.61 1.01 -1.01 -4.88 121.20 117.06 3i1a s ILE 1074Ca 0.00 1.16 0.27 0.00 0.00 0.00 0.00 60.65 62.08 3i1a s ILE 1074Cb 0.00 -4.59 0.19 0.00 0.01 0.00 0.00 42.46 38.07 3i1a s ILE 1074CO 0.00 -1.01 1.73 2.29 0.00 0.00 0.00 174.94 177.95 3i1a n LYS 1075N 7.80 0.11 0.00 2.79 2.85 -1.26 -3.92 118.16 126.52 3i1a n LYS 1075Ca 0.11 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 3i1a n LYS 1075Cb 0.49 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 3i1a n LYS 1075CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3i1a n GLU 1076N -1.78 0.92 -4.18 -1.58 4.71 -1.26 -4.65 120.64 112.82 3i1a n GLU 1076Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.87 3i1a n GLU 1076Cb 0.38 -1.23 -0.15 0.00 -1.01 0.00 0.00 31.44 29.43 3i1a n GLU 1076CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3i1a s ILE 1077N -1.50 2.97 -0.22 -3.67 -1.09 -1.25 -0.26 121.20 116.19 3i1a s ILE 1077Ca 0.00 -0.65 -0.29 0.00 -2.23 0.00 0.00 60.65 57.48 3i1a s ILE 1077Cb 0.00 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.55 3i1a s ILE 1077CO 0.00 0.48 1.55 -0.63 -1.23 0.00 0.00 174.94 175.11 3i1a s ILE 1078N 1.16 3.79 -0.01 2.92 1.01 -1.26 -4.98 121.20 123.83 3i1a s ILE 1078Ca 0.01 0.90 -0.14 0.00 0.00 0.00 0.00 60.65 61.42 3i1a s ILE 1078Cb -0.14 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 3i1a s ILE 1078CO -0.03 -0.29 0.39 0.12 0.00 0.00 0.00 174.94 175.12 3i1a s PHE 1079N 4.88 3.71 0.72 3.97 5.36 -1.26 -5.07 117.98 130.29 3i1a s PHE 1079Ca 0.68 0.95 -0.14 0.00 -0.96 0.00 0.00 56.93 57.46 3i1a s PHE 1079Cb -0.24 -2.25 0.03 0.00 -0.34 0.00 0.00 43.02 40.22 3i1a s PHE 1079CO 0.27 0.65 1.15 -2.14 -1.46 0.00 0.00 175.22 173.69 3i1a s PRO 1080N -1.12 2.36 0.14 10.12 0.02 -1.26 -4.71 135.00 140.55 3i1a s PRO 1080Ca 0.23 1.53 -0.30 0.00 0.02 0.00 0.00 61.00 62.48 3i1a s PRO 1080Cb -0.16 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 3i1a s PRO 1080CO 0.13 -1.62 0.96 0.42 -0.33 0.00 0.00 177.00 176.55 3i1a s ILE 1081N -2.27 4.42 0.44 2.83 1.01 0.37 -5.00 121.20 122.99 3i1a s ILE 1081Ca 0.69 2.07 -0.22 0.00 0.00 0.00 0.00 60.65 63.20 3i1a s ILE 1081Cb -0.24 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.82 3i1a s ILE 1081CO 0.45 0.35 1.02 -1.00 0.00 0.00 0.00 174.94 175.77 3i1a s HIS 1082N -0.24 3.16 1.03 3.97 3.76 -1.26 -4.58 115.29 121.13 3i1a s HIS 1082Ca 0.46 1.61 -0.17 0.00 -0.15 0.00 0.00 55.06 56.81 3i1a s HIS 1082Cb -0.24 -3.03 0.23 0.00 1.11 0.00 0.00 32.58 30.64 3i1a s HIS 1082CO 0.30 -0.58 1.27 0.95 -0.85 0.00 0.00 174.74 175.83 3i1a s THR 1083N -1.91 1.89 0.37 1.30 -4.23 -0.19 -4.86 115.64 108.01 3i1a s THR 1083Ca 0.63 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.41 3i1a s THR 1083Cb -0.17 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.09 3i1a s THR 1083CO 0.21 0.00 2.03 -0.07 -0.54 0.00 0.00 174.62 176.25 3i1a h LEU 1084N -1.91 0.00 -0.98 4.79 3.38 -1.40 0.27 115.31 119.47 3i1a h LEU 1084Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3i1a h LEU 1084Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3i1a h LEU 1084CO 0.36 0.14 0.00 -0.62 0.09 0.00 0.00 178.44 178.41 3i1a n GLU 1085N -3.60 1.63 -2.69 1.13 1.02 -1.26 -4.91 120.64 111.94 3i1a n GLU 1085Ca -0.01 -0.96 -0.14 0.00 -0.02 0.00 0.00 57.16 56.02 3i1a n GLU 1085Cb 0.27 -1.27 0.02 0.00 -0.02 0.00 0.00 31.44 30.44 3i1a n GLU 1085CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1a n ALA 1086N 0.25 -0.59 -2.60 0.62 0.00 0.08 -5.05 120.51 113.22 3i1a n ALA 1086Ca 0.11 0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 3i1a n ALA 1086Cb 0.25 -2.55 -0.06 0.00 0.00 0.00 0.00 19.45 17.09 3i1a n ALA 1086CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i1a s LYS 1087N -5.21 2.49 0.00 0.00 1.02 -1.26 -4.82 119.74 111.97 3i1a s LYS 1087Ca 0.17 -1.39 0.26 0.00 0.02 0.00 0.00 55.97 55.03 3i1a s LYS 1087Cb -0.08 -2.28 1.13 0.00 -0.52 0.00 0.00 37.83 36.09 3i1a s LYS 1087CO 0.22 0.23 1.84 1.28 -0.92 0.00 0.00 175.35 177.99 3i1a n LEU 1088N -1.12 0.00 -3.53 3.17 4.77 -1.26 -1.02 117.00 118.01 3i1a n LEU 1088Ca -0.05 0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 56.31 3i1a n LEU 1088Cb 0.60 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3i1a n LEU 1088CO 0.42 -0.05 0.47 0.72 -1.33 0.00 0.00 177.39 177.62 3i1a s PHE 1089N -2.95 -0.43 -0.19 -1.77 -0.12 -1.26 -4.64 117.98 106.63 3i1a s PHE 1089Ca 0.14 0.17 -0.03 0.00 -0.05 0.00 0.00 56.93 57.16 3i1a s PHE 1089Cb 0.17 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 43.14 3i1a s PHE 1089CO 0.47 -0.88 -0.06 -1.14 -0.05 0.00 0.00 175.22 173.56 3i1a s GLN 1090N -3.67 3.45 -0.30 1.99 2.00 -0.60 -4.88 119.66 117.65 3i1a s GLN 1090Ca 0.04 -0.61 -0.16 0.00 -2.00 0.00 0.00 55.36 52.63 3i1a s GLN 1090Cb -0.02 -2.92 -0.02 0.00 0.80 0.00 0.00 33.01 30.85 3i1a s GLN 1090CO -0.08 -0.02 0.43 -1.14 -0.50 0.00 0.00 175.29 173.98 3i1a s GLN 1091N 1.02 3.88 0.56 1.67 2.00 -1.26 -1.24 119.66 126.28 3i1a s GLN 1091Ca 0.00 -0.01 0.08 0.00 -2.00 0.00 0.00 55.36 53.43 3i1a s GLN 1091Cb -0.15 -3.71 0.06 0.00 0.80 0.00 0.00 33.01 30.02 3i1a s GLN 1091CO 0.00 -0.41 0.60 -0.51 -0.50 0.00 0.00 175.29 174.47 3i1a s LEU 1092N 2.19 2.89 0.18 3.68 1.02 0.01 -5.02 118.68 123.63 3i1a s LEU 1092Ca 0.17 -1.06 -0.13 0.00 0.02 0.00 0.00 54.13 53.12 3i1a s LEU 1092Cb -0.16 -1.39 0.17 0.00 0.02 0.00 0.00 46.19 44.84 3i1a s LEU 1092CO 0.11 -1.24 1.71 0.50 0.02 0.00 0.00 176.35 177.45 3i1a h LYS 1093N 0.45 0.20 -0.00 1.70 1.63 -1.97 -3.29 116.57 115.29 3i1a h LYS 1093Ca -0.33 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 3i1a h LYS 1093Cb 1.30 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3i1a h LYS 1093CO 0.49 0.13 -0.36 0.72 -3.45 0.00 0.00 179.45 176.98 3i1a n HIS 1094N -5.13 0.00 -3.84 1.91 8.25 -1.26 -4.89 115.22 110.26 3i1a n HIS 1094Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 3i1a n HIS 1094Cb 0.24 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 3i1a n HIS 1094CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3i1a s PHE 1095N -1.70 -0.11 0.22 4.41 -0.12 -1.24 -1.58 117.98 117.86 3i1a s PHE 1095Ca 0.05 -0.38 0.10 0.00 -0.05 0.00 0.00 56.93 56.65 3i1a s PHE 1095Cb 0.08 0.73 -0.04 0.00 -0.63 0.00 0.00 43.02 43.15 3i1a s PHE 1095CO 0.34 -1.27 -0.10 0.15 -0.05 0.00 0.00 175.22 174.29 3i1a s LYS 1096N -3.47 2.00 -0.10 1.99 1.02 0.13 -0.81 119.74 120.51 3i1a s LYS 1096Ca 0.12 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.74 3i1a s LYS 1096Cb -0.05 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 3i1a s LYS 1096CO 0.07 0.40 -0.20 0.42 -0.92 0.00 0.00 175.35 175.13 3i1a s ILE 1097N -1.98 1.76 -0.15 2.17 1.01 -0.38 -1.58 121.20 122.05 3i1a s ILE 1097Ca 0.27 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 3i1a s ILE 1097Cb -0.08 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.88 3i1a s ILE 1097CO 0.16 0.49 -0.09 -0.63 0.00 0.00 0.00 174.94 174.87 3i1a s ILE 1098N 0.57 1.27 -0.11 2.92 -1.09 -0.26 -1.55 121.20 122.95 3i1a s ILE 1098Ca -0.15 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.65 3i1a s ILE 1098Cb -0.17 -1.32 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 3i1a s ILE 1098CO 0.05 0.29 0.07 0.00 -1.23 0.00 0.00 174.94 174.11 3i1a s ALA 1099N 1.59 3.55 0.12 9.38 0.00 -1.26 -1.14 121.76 133.99 3i1a s ALA 1099Ca 0.03 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3i1a s ALA 1099Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3i1a s ALA 1099CO -0.09 0.55 -0.09 0.71 0.00 0.00 0.00 175.76 176.84 3i1a s TYR 1100N -0.79 1.08 0.37 0.00 1.51 0.19 -0.48 117.35 119.23 3i1a s TYR 1100Ca 0.13 -0.77 -0.26 0.00 -1.01 0.00 0.00 57.07 55.16 3i1a s TYR 1100Cb -0.12 -0.58 -0.09 0.00 -0.11 0.00 0.00 41.96 41.06 3i1a s TYR 1100CO 0.03 -0.01 1.07 -1.25 -1.11 0.00 0.00 175.55 174.27 3i1a s PRO 1101N -3.43 4.29 -0.58 -1.71 0.04 -1.26 -0.67 135.00 131.68 3i1a s PRO 1101Ca 0.11 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 3i1a s PRO 1101Cb 0.01 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.86 3i1a s PRO 1101CO -0.01 -0.05 1.16 0.12 0.04 0.00 0.00 177.00 178.27 3i1a s PHE 1102N -1.51 2.62 -0.09 0.56 5.36 0.59 -4.38 117.98 121.12 3i1a s PHE 1102Ca 0.54 0.34 -0.24 0.00 -0.96 0.00 0.00 56.93 56.61 3i1a s PHE 1102Cb -0.25 -4.46 -0.03 0.00 -0.34 0.00 0.00 43.02 37.93 3i1a s PHE 1102CO 0.32 -1.58 0.72 0.42 -1.46 0.00 0.00 175.22 173.64 3i1a s ILE 1103N 4.86 5.01 -0.87 3.12 1.01 -1.26 -4.89 121.20 128.18 3i1a s ILE 1103Ca 0.41 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.52 3i1a s ILE 1103Cb -0.08 -4.06 0.34 0.00 0.01 0.00 0.00 42.46 38.68 3i1a s ILE 1103CO 0.24 0.20 1.85 1.41 0.00 0.00 0.00 174.94 178.64 3i1a n HIS 1104N 4.12 2.98 -4.96 3.97 8.25 -1.26 -4.97 115.22 123.35 3i1a n HIS 1104Ca -0.00 -2.53 -0.32 0.00 -0.26 0.00 0.00 57.72 54.60 3i1a n HIS 1104Cb 0.51 -1.09 -0.14 0.00 1.12 0.00 0.00 29.99 30.39 3i1a n HIS 1104CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1a s ALA 1105N -4.11 2.58 0.67 -1.41 0.00 -1.26 -5.04 121.76 113.19 3i1a s ALA 1105Ca 0.47 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 3i1a s ALA 1105Cb 0.34 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 3i1a s ALA 1105CO -0.29 0.54 1.05 -1.25 0.00 0.00 0.00 175.76 175.81 3i1a s PRO 1106N -0.65 3.08 0.88 0.00 0.04 -1.25 -4.66 135.00 132.44 3i1a s PRO 1106Ca 0.10 0.95 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 3i1a s PRO 1106Cb -0.11 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.59 3i1a s PRO 1106CO 0.01 -0.99 1.21 0.54 0.04 0.00 0.00 177.00 177.81 3i1a s ASN 1107N -3.75 3.59 0.00 6.66 2.20 -1.26 -0.49 114.94 121.88 3i1a s ASN 1107Ca 0.58 0.13 0.15 0.00 -0.94 0.00 0.00 52.86 52.78 3i1a s ASN 1107Cb -0.14 -0.31 0.71 0.00 -2.00 0.00 0.00 41.25 39.52 3i1a s ASN 1107CO 0.53 -2.41 1.47 0.61 -2.94 0.00 0.00 177.10 174.35 3i1a n GLY 1108N -3.46 -0.92 0.11 0.45 0.00 -0.01 -1.55 105.19 99.81 3i1a n GLY 1108Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i1a n GLY 1108CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i1a h PHE 1109N 0.00 0.00 0.09 1.61 0.05 -1.89 -3.37 116.94 113.44 3i1a h PHE 1109Ca 0.00 0.00 -0.33 0.00 3.82 0.00 0.00 57.97 61.46 3i1a h PHE 1109Cb 0.21 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.14 3i1a h PHE 1109CO 0.00 0.63 -1.82 2.41 -0.18 0.00 0.00 178.31 179.35 3i1a n THR 1110N -3.14 1.71 -4.28 -1.55 -1.04 -0.76 -4.91 114.28 100.32 3i1a n THR 1110Ca -0.02 -0.48 -0.26 0.00 -2.04 0.00 0.00 64.05 61.24 3i1a n THR 1110Cb 0.81 -1.82 -0.17 0.00 -1.82 0.00 0.00 70.33 67.34 3i1a n THR 1110CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3i1a s GLN 1111N -2.51 1.65 0.44 -2.82 0.74 -0.59 -5.03 119.66 111.54 3i1a s GLN 1111Ca -0.25 -0.35 -0.24 0.00 0.05 0.00 0.00 55.36 54.57 3i1a s GLN 1111Cb 0.07 -1.51 -0.08 0.00 1.10 0.00 0.00 33.01 32.59 3i1a s GLN 1111CO 0.72 -0.11 1.23 -0.80 -0.55 0.00 0.00 175.29 175.78 3i1a s ASN 1112N 1.13 6.20 0.42 6.67 0.01 -1.26 -4.27 114.94 123.85 3i1a s ASN 1112Ca -0.06 2.48 -0.23 0.00 -0.71 0.00 0.00 52.86 54.34 3i1a s ASN 1112Cb -0.14 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.81 3i1a s ASN 1112CO -0.02 -0.91 1.05 -0.76 -1.51 0.00 0.00 177.10 174.95 3i1a s LEU 1113N -2.75 4.07 0.91 0.60 1.02 -1.26 -5.05 118.68 116.22 3i1a s LEU 1113Ca 0.61 2.01 -0.14 0.00 0.02 0.00 0.00 54.13 56.62 3i1a s LEU 1113Cb -0.34 -4.27 0.16 0.00 0.02 0.00 0.00 46.19 41.76 3i1a s LEU 1113CO 0.42 -0.56 1.27 0.42 0.02 0.00 0.00 176.35 177.92 3i1a s THR 1114N -1.73 2.01 0.22 5.49 -4.23 -1.26 -4.80 115.64 111.33 3i1a s THR 1114Ca 0.60 -0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 61.01 3i1a s THR 1114Cb -0.21 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.82 3i1a s THR 1114CO 0.26 0.00 1.87 1.23 -0.54 0.00 0.00 174.62 177.44 3i1a h GLY 1115N -1.42 1.16 0.99 3.99 0.00 -2.00 -0.83 103.07 104.96 3i1a h GLY 1115Ca -0.45 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.42 3i1a h GLY 1115CO 0.48 0.45 0.23 0.07 0.00 0.00 0.00 176.54 177.77 3i1a h LYS 1116N 1.10 0.50 -0.50 4.80 5.09 -1.96 -2.17 116.57 123.43 3i1a h LYS 1116Ca 0.29 -0.04 -0.05 0.00 0.09 0.00 0.00 60.65 60.95 3i1a h LYS 1116Cb -0.08 -0.11 -0.02 0.00 0.10 0.00 0.00 32.23 32.12 3i1a h LYS 1116CO -0.06 0.35 0.11 1.96 -2.09 0.00 0.00 179.45 179.73 3i1a h GLN 1117N 0.49 0.76 -0.49 0.07 4.20 -1.63 0.11 115.11 118.62 3i1a h GLN 1117Ca 0.13 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3i1a h GLN 1117Cb -0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3i1a h GLN 1117CO -0.03 0.69 0.22 -1.49 -0.67 0.00 0.00 178.83 177.55 3i1a h TRP 1118N 0.73 0.72 -0.19 2.96 4.06 -0.96 0.13 115.95 123.41 3i1a h TRP 1118Ca 0.16 -0.04 -0.10 0.00 2.06 0.00 0.00 58.89 60.97 3i1a h TRP 1118Cb 0.29 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3i1a h TRP 1118CO 0.02 0.59 -0.30 0.87 -3.56 0.00 0.00 178.44 176.05 3i1a h LYS 1119N 0.65 0.37 -0.56 0.49 1.57 -0.81 -2.13 116.57 116.14 3i1a h LYS 1119Ca 0.17 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3i1a h LYS 1119Cb 0.15 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3i1a h LYS 1119CO -0.02 0.64 -0.08 0.37 -0.57 0.00 0.00 179.45 179.79 3i1a h GLN 1120N 0.32 1.05 -0.85 3.15 5.75 -0.28 -0.45 115.11 123.81 3i1a h GLN 1120Ca 0.04 -0.38 -0.02 0.00 -0.15 0.00 0.00 58.65 58.14 3i1a h GLN 1120Cb 0.70 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 3i1a h GLN 1120CO 0.05 1.07 0.44 1.25 -2.65 0.00 0.00 178.83 178.99 3i1a h LEU 1121N 0.94 1.09 -0.54 -2.39 5.85 -0.49 0.27 115.31 120.04 3i1a h LEU 1121Ca 0.15 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3i1a h LEU 1121Cb 0.65 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3i1a h LEU 1121CO 0.05 0.90 0.07 1.23 -0.34 0.00 0.00 178.44 180.34 3i1a h GLY 1122N 1.20 0.98 1.00 3.75 0.00 -1.02 -0.38 103.07 108.59 3i1a h GLY 1122Ca 0.29 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3i1a h GLY 1122CO -0.04 0.62 0.40 1.70 0.00 0.00 0.00 176.54 179.22 3i1a h LYS 1123N 0.79 0.83 -0.23 4.80 3.64 -0.61 -1.50 116.57 124.29 3i1a h LYS 1123Ca 0.16 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 3i1a h LYS 1123Cb 0.44 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3i1a h LYS 1123CO 0.01 0.57 -0.33 0.28 -2.27 0.00 0.00 179.45 177.71 3i1a h VAL 1124N 0.85 1.32 -0.06 2.00 2.07 -0.70 -2.63 116.25 119.09 3i1a h VAL 1124Ca 0.23 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 3i1a h VAL 1124Cb -0.07 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3i1a h VAL 1124CO -0.05 0.48 -0.29 -0.07 0.02 0.00 0.00 177.57 177.66 3i1a h LEU 1125N 0.34 0.10 -0.37 2.57 3.38 -0.97 -1.41 115.31 118.95 3i1a h LEU 1125Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i1a h LEU 1125Cb 0.92 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3i1a h LEU 1125CO 0.08 0.39 0.19 -0.09 0.09 0.00 0.00 178.44 179.11 3i1a h ARG 1126N 0.09 0.52 -0.64 1.13 9.65 -1.15 0.11 114.38 124.09 3i1a h ARG 1126Ca 0.01 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 3i1a h ARG 1126Cb 0.57 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 3i1a h ARG 1126CO 0.04 0.44 0.13 1.96 2.80 0.00 0.00 179.97 185.34 3i1a h GLN 1127N 0.46 1.02 -0.21 0.20 1.08 -1.05 -1.09 115.11 115.53 3i1a h GLN 1127Ca 0.13 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3i1a h GLN 1127Cb 0.08 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3i1a h GLN 1127CO -0.02 0.92 0.10 0.82 -0.95 0.00 0.00 178.83 179.71 3i1a h ILE 1128N 0.97 1.14 0.00 2.54 2.04 -0.97 -1.96 117.51 121.26 3i1a h ILE 1128Ca 0.20 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3i1a h ILE 1128Cb 0.38 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3i1a h ILE 1128CO 0.01 0.13 -0.06 0.45 0.00 0.00 0.00 178.15 178.68 3i1a h HIS 1129N 0.21 0.00 -0.11 1.37 3.86 -0.69 -2.13 115.15 117.67 3i1a h HIS 1129Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3i1a h HIS 1129Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3i1a h HIS 1129CO -0.02 0.06 0.00 0.39 0.86 0.00 0.00 177.93 179.22 3i1a n GLU 1130N -3.28 2.19 -2.19 2.45 -0.58 -0.44 -4.51 120.64 114.28 3i1a n GLU 1130Ca -0.01 -1.74 -0.42 0.00 -0.42 0.00 0.00 57.16 54.57 3i1a n GLU 1130Cb 0.25 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 3i1a n GLU 1130CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3i1a s THR 1131N -1.89 3.47 -0.30 2.62 2.01 -0.76 -4.98 115.64 115.81 3i1a s THR 1131Ca 0.32 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 63.03 3i1a s THR 1131Cb 0.21 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 69.09 3i1a s THR 1131CO 0.31 0.04 1.12 -0.55 -0.69 0.00 0.00 174.62 174.85 3i1a s SER 1132N 1.46 6.90 -0.21 3.53 0.15 -1.26 -4.69 113.70 119.57 3i1a s SER 1132Ca 0.65 1.12 -0.15 0.00 0.70 0.00 0.00 55.95 58.27 3i1a s SER 1132Cb -0.35 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.38 3i1a s SER 1132CO 0.29 -0.89 0.34 -0.69 1.20 0.00 0.00 173.24 173.49 3i1a s VAL 1133N 3.73 5.24 0.39 4.45 1.01 -1.26 -5.05 120.40 128.91 3i1a s VAL 1133Ca 0.47 0.57 -0.26 0.00 0.00 0.00 0.00 61.98 62.77 3i1a s VAL 1133Cb -0.13 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 3i1a s VAL 1133CO 0.16 0.27 1.11 -2.65 0.00 0.00 0.00 175.10 173.99 3i1a n PRO 1134N 4.46 1.59 -0.27 2.72 -0.02 -1.26 -4.71 135.00 137.51 3i1a n PRO 1134Ca -0.10 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 62.03 3i1a n PRO 1134Cb 0.51 -2.13 0.33 0.00 -0.02 0.00 0.00 33.50 32.20 3i1a n PRO 1134CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3i1a h ILE 1135N 1.86 0.92 -0.81 4.25 1.08 -1.99 -0.83 117.51 122.00 3i1a h ILE 1135Ca -0.45 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 63.76 3i1a h ILE 1135Cb 1.32 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 3i1a h ILE 1135CO 0.59 0.15 0.53 0.77 -0.69 0.00 0.00 178.15 179.49 3i1a h SER 1136N 0.79 0.94 0.17 1.72 4.64 -2.01 -1.38 113.55 118.43 3i1a h SER 1136Ca 0.41 -0.03 -0.26 0.00 -0.47 0.00 0.00 61.79 61.45 3i1a h SER 1136Cb 0.51 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3i1a h SER 1136CO -0.18 0.69 -1.05 0.40 -0.87 0.00 0.00 176.83 175.82 3i1a h ILE 1137N 1.11 1.33 -0.98 0.95 2.04 -1.61 -3.22 117.51 117.12 3i1a h ILE 1137Ca 0.30 -2.38 0.09 0.00 1.00 0.00 0.00 64.86 63.86 3i1a h ILE 1137Cb -0.11 2.46 -0.07 0.00 -0.74 0.00 0.00 36.82 38.36 3i1a h ILE 1137CO -0.06 0.72 0.63 1.56 0.00 0.00 0.00 178.15 181.00 3i1a h GLN 1138N 0.31 1.04 0.00 2.37 4.20 -0.57 0.10 115.11 122.56 3i1a h GLN 1138Ca -0.12 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3i1a h GLN 1138Cb 1.70 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 29.24 3i1a h GLN 1138CO 0.19 0.69 -0.08 1.96 -0.67 0.00 0.00 178.83 180.92 3i1a h GLN 1139N 1.07 0.00 -0.00 1.46 1.08 -1.28 -2.28 115.11 115.15 3i1a h GLN 1139Ca 0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 3i1a h GLN 1139Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3i1a h GLN 1139CO -0.20 0.08 -0.44 1.04 -0.95 0.00 0.00 178.83 178.37 3i1a n GLN 1140N -3.87 0.12 -3.53 1.46 6.02 -0.02 -4.90 117.38 112.66 3i1a n GLN 1140Ca -0.02 -0.07 -0.38 0.00 -0.01 0.00 0.00 57.00 56.52 3i1a n GLN 1140Cb 0.18 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 3i1a n GLN 1140CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i1a s LEU 1141N -2.92 4.44 0.51 1.08 1.43 -0.86 -5.02 118.68 117.34 3i1a s LEU 1141Ca 0.13 0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 53.90 3i1a s LEU 1141Cb 0.18 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 3i1a s LEU 1141CO 0.66 0.30 1.18 0.00 0.23 0.00 0.00 176.35 178.73 3i1a s ARG 1142N -0.89 3.47 0.00 1.70 1.70 -1.26 -4.79 118.95 118.89 3i1a s ARG 1142Ca 0.23 1.79 0.01 0.00 -0.47 0.00 0.00 55.73 57.29 3i1a s ARG 1142Cb -0.16 -2.22 -0.04 0.00 -0.57 0.00 0.00 34.95 31.97 3i1a s ARG 1142CO 0.12 -0.79 0.02 0.15 -1.08 0.00 0.00 175.30 173.71 3i1a s LYS 1143N -2.96 2.84 0.12 3.89 3.01 -1.26 -1.30 119.74 124.08 3i1a s LYS 1143Ca 0.69 -0.59 -0.31 0.00 -1.01 0.00 0.00 55.97 54.75 3i1a s LYS 1143Cb -0.29 -2.71 -0.10 0.00 -1.01 0.00 0.00 37.83 33.72 3i1a s LYS 1143CO 0.34 0.63 1.81 -2.00 0.51 0.00 0.00 175.35 176.64 3i1a s GLU 1144N -1.62 4.14 -0.02 1.68 2.56 -0.48 -4.87 118.70 120.10 3i1a s GLU 1144Ca 0.20 2.58 0.03 0.00 0.00 0.00 0.00 54.97 57.78 3i1a s GLU 1144Cb -0.12 -3.56 0.04 0.00 2.00 0.00 0.00 34.13 32.49 3i1a s GLU 1144CO 0.11 -0.83 0.99 0.44 -0.56 0.00 0.00 175.26 175.41 3i1a n ILE 1145N 4.69 1.04 -4.16 -3.70 -5.35 -1.26 -5.02 119.36 105.60 3i1a n ILE 1145Ca 0.17 -1.09 -0.32 0.00 -0.27 0.00 0.00 62.75 61.24 3i1a n ILE 1145Cb 0.38 0.43 -0.04 0.00 -1.74 0.00 0.00 39.64 38.68 3i1a n ILE 1145CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3i1a n TYR 1146N -0.59 -1.60 -1.86 4.28 4.01 -1.26 -4.86 117.16 115.28 3i1a n TYR 1146Ca 0.02 0.75 -0.41 0.00 -0.16 0.00 0.00 57.90 58.10 3i1a n TYR 1146Cb 0.33 -3.15 -0.00 0.00 -0.31 0.00 0.00 39.34 36.20 3i1a n TYR 1146CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i1a s SER 1147N -3.85 6.39 0.00 7.72 0.15 -1.26 -4.90 113.70 117.95 3i1a s SER 1147Ca 0.37 2.97 0.17 0.00 0.70 0.00 0.00 55.95 60.16 3i1a s SER 1147Cb -0.20 -2.66 0.63 0.00 -1.71 0.00 0.00 66.02 62.08 3i1a s SER 1147CO 0.93 -0.83 1.46 -0.81 1.20 0.00 0.00 173.24 175.19 3i1a n PRO 1148N 0.47 1.65 -0.24 5.44 -0.04 -1.26 -4.49 135.00 136.54 3i1a n PRO 1148Ca 0.01 -1.00 0.02 0.00 -0.04 0.00 0.00 63.50 62.49 3i1a n PRO 1148Cb 0.40 -1.34 0.10 0.00 -0.04 0.00 0.00 33.50 32.62 3i1a n PRO 1148CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i1a h LYS 1149N 1.87 0.03 0.06 0.54 3.64 -2.00 0.04 116.57 120.76 3i1a h LYS 1149Ca 0.00 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 3i1a h LYS 1149Cb 0.42 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3i1a h LYS 1149CO 0.00 0.02 -1.12 -1.49 -2.27 0.00 0.00 179.45 174.59 3i1a h TRP 1150N 0.03 1.01 -0.40 1.91 4.06 -1.94 -2.10 115.95 118.53 3i1a h TRP 1150Ca 0.35 -0.59 0.04 0.00 2.06 0.00 0.00 58.89 60.75 3i1a h TRP 1150Cb 0.56 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.59 3i1a h TRP 1150CO -0.50 1.43 0.17 0.00 -3.56 0.00 0.00 178.44 175.98 3i1a h ARG 1151N 0.30 0.34 -0.82 0.49 3.08 -1.81 -0.66 114.38 115.31 3i1a h ARG 1151Ca -0.16 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 3i1a h ARG 1151Cb 1.78 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.72 3i1a h ARG 1151CO 0.22 0.23 0.50 0.93 -1.07 0.00 0.00 179.97 180.77 3i1a h GLU 1152N 0.35 1.12 -0.40 0.04 5.08 -0.97 -1.48 114.58 118.33 3i1a h GLU 1152Ca 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3i1a h GLU 1152Cb 0.12 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3i1a h GLU 1152CO -0.15 0.79 0.20 0.82 -1.00 0.00 0.00 179.01 179.67 3i1a h ILE 1153N 1.13 1.16 -0.73 3.13 2.04 -0.83 -0.97 117.51 122.45 3i1a h ILE 1153Ca 0.30 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3i1a h ILE 1153Cb -0.04 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3i1a h ILE 1153CO -0.06 0.17 0.28 0.58 0.00 0.00 0.00 178.15 179.13 3i1a h VAL 1154N 0.50 1.25 -0.03 1.67 2.07 -0.81 -2.30 116.25 118.61 3i1a h VAL 1154Ca 0.14 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3i1a h VAL 1154Cb 0.10 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3i1a h VAL 1154CO -0.02 0.32 -0.16 0.03 0.02 0.00 0.00 177.57 177.76 3i1a h ARG 1155N 1.05 0.05 0.00 1.57 3.08 -0.97 -0.59 114.38 118.57 3i1a h ARG 1155Ca 0.24 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3i1a h ARG 1155Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3i1a h ARG 1155CO -0.02 0.22 0.00 0.66 -1.07 0.00 0.00 179.97 179.76 3i1a h SER 1156N 0.05 0.00 1.44 7.04 4.64 -0.59 -2.03 113.55 124.11 3i1a h SER 1156Ca 0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3i1a h SER 1156Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3i1a h SER 1156CO 0.02 0.00 -0.58 -0.26 -0.87 0.00 0.00 176.83 175.14 3i1a h PHE 1157N 0.00 0.00 -0.77 4.77 0.04 -1.05 -3.38 116.94 116.55 3i1a h PHE 1157Ca 0.00 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.95 3i1a h PHE 1157Cb 0.18 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.21 3i1a h PHE 1157CO 0.00 0.31 0.18 1.88 -0.60 0.00 0.00 178.31 180.08 3i1a h TYR 1158N 0.00 0.27 -0.03 -0.55 0.99 -1.42 -0.54 116.97 115.69 3i1a h TYR 1158Ca -0.03 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3i1a h TYR 1158Cb 1.26 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.99 3i1a h TYR 1158CO 0.00 -0.12 0.00 0.27 -0.00 0.00 0.00 178.16 178.31 3i1a n ASN 1159N -5.18 0.53 -0.83 3.88 0.23 -1.26 -3.65 115.26 108.98 3i1a n ASN 1159Ca 0.16 -1.37 0.07 0.00 -0.53 0.00 0.00 54.58 52.91 3i1a n ASN 1159Cb 0.51 -0.02 0.20 0.00 -2.08 0.00 0.00 39.78 38.38 3i1a n ASN 1159CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i1a n GLN 1160N -0.50 2.85 0.02 -3.83 6.02 -0.21 -4.67 117.38 117.05 3i1a n GLN 1160Ca 0.18 -2.22 0.14 0.00 -0.01 0.00 0.00 57.00 55.09 3i1a n GLN 1160Cb 0.17 -1.35 0.58 0.00 1.02 0.00 0.00 30.24 30.66 3i1a n GLN 1160CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3i1a n ILE 1161N 0.80 0.11 -2.06 5.09 2.08 -1.23 -4.92 119.36 119.23 3i1a n ILE 1161Ca 0.15 -0.05 -0.41 0.00 0.56 0.00 0.00 62.75 63.01 3i1a n ILE 1161Cb 0.48 -0.52 -0.02 0.00 -0.75 0.00 0.00 39.64 38.84 3i1a n ILE 1161CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3i1a s GLU 1162N -3.02 4.30 0.38 0.38 0.41 -1.26 -4.76 118.70 115.12 3i1a s GLU 1162Ca 0.13 2.28 -0.27 0.00 -0.41 0.00 0.00 54.97 56.70 3i1a s GLU 1162Cb 0.18 -3.04 -0.11 0.00 -1.78 0.00 0.00 34.13 29.38 3i1a s GLU 1162CO 0.54 -0.26 1.35 0.34 -0.49 0.00 0.00 175.26 176.74 3i1a n PHE 1163N 0.71 2.48 -3.64 1.61 7.35 -1.26 -5.02 117.46 119.69 3i1a n PHE 1163Ca 0.00 0.51 -0.19 0.00 -0.76 0.00 0.00 57.45 57.01 3i1a n PHE 1163Cb 0.41 -2.44 -0.16 0.00 0.35 0.00 0.00 39.48 37.64 3i1a n PHE 1163CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3i1a s ASP 1164N -0.31 1.08 0.54 -2.13 -1.08 -1.26 -5.03 116.67 108.47 3i1a s ASP 1164Ca 0.56 0.11 0.32 0.00 -0.52 0.00 0.00 52.55 53.02 3i1a s ASP 1164Cb -0.52 0.13 1.48 0.00 -1.46 0.00 0.00 42.92 42.55 3i1a s ASP 1164CO 0.62 -0.27 1.88 0.78 0.52 0.00 0.00 175.17 178.70 3i1a h ASN 1165N 8.38 0.01 1.09 -0.34 2.35 -2.02 -1.33 115.58 123.72 3i1a h ASN 1165Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3i1a h ASN 1165Cb 1.12 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3i1a h ASN 1165CO 0.17 0.00 0.00 -0.24 -1.65 0.00 0.00 177.43 175.72 3i1a n SER 1166N -4.27 0.21 -4.77 5.81 2.88 -1.26 -4.90 113.62 107.33 3i1a n SER 1166Ca 0.19 0.52 -0.39 0.00 -1.33 0.00 0.00 58.87 57.86 3i1a n SER 1166Cb 0.98 -0.58 -0.00 0.00 -0.75 0.00 0.00 64.21 63.86 3i1a n SER 1166CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3i1a s ASP 1167N -3.39 6.22 1.06 -3.46 1.01 -0.50 -5.02 116.67 112.59 3i1a s ASP 1167Ca 0.13 2.58 -0.16 0.00 0.71 0.00 0.00 52.55 55.81 3i1a s ASP 1167Cb 0.17 -2.63 0.22 0.00 1.01 0.00 0.00 42.92 41.69 3i1a s ASP 1167CO 0.53 -0.91 1.14 1.51 0.21 0.00 0.00 175.17 177.65 3i1a s ASP 1168N -0.90 2.16 0.16 0.27 -4.77 -1.26 -4.76 116.67 107.58 3i1a s ASP 1168Ca 0.59 0.80 -0.15 0.00 -3.30 0.00 0.00 52.55 50.49 3i1a s ASP 1168Cb -0.36 -1.20 0.08 0.00 -1.09 0.00 0.00 42.92 40.35 3i1a s ASP 1168CO 0.45 -3.37 1.77 0.50 0.70 0.00 0.00 175.17 175.22 3i1a h LYS 1169N -2.07 0.35 -0.42 2.11 3.64 -1.99 -2.17 116.57 116.02 3i1a h LYS 1169Ca -0.49 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 3i1a h LYS 1169Cb 1.31 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3i1a h LYS 1169CO 0.47 0.23 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.52 3i1a h LEU 1170N 0.36 0.97 -0.57 5.20 3.38 -1.97 -0.83 115.31 121.86 3i1a h LEU 1170Ca 0.18 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3i1a h LEU 1170Cb 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3i1a h LEU 1170CO -0.15 1.19 0.27 0.74 0.09 0.00 0.00 178.44 180.58 3i1a h THR 1171N 0.79 1.21 -0.68 0.22 2.02 -1.79 0.06 112.91 114.74 3i1a h THR 1171Ca 0.09 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 3i1a h THR 1171Cb 0.87 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3i1a h THR 1171CO 0.08 0.24 0.19 0.00 0.37 0.00 0.00 175.52 176.40 3i1a h ALA 1172N 1.11 0.90 -0.46 6.16 0.00 -1.24 -1.62 119.26 124.11 3i1a h ALA 1172Ca 0.20 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3i1a h ALA 1172Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i1a h ALA 1172CO -0.02 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 3i1a h ALA 1173N 1.09 0.64 0.02 0.00 0.00 -0.85 -1.50 119.26 118.65 3i1a h ALA 1173Ca 0.22 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3i1a h ALA 1173Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i1a h ALA 1173CO -0.00 0.61 -0.04 0.35 0.00 0.00 0.00 179.25 180.16 3i1a h PHE 1174N 0.78 -0.11 -0.75 0.00 3.57 -0.78 -0.86 116.94 118.78 3i1a h PHE 1174Ca 0.10 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3i1a h PHE 1174Cb 0.77 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 3i1a h PHE 1174CO 0.05 -0.07 0.47 0.87 -2.23 0.00 0.00 178.31 177.40 3i1a h LYS 1175N -0.09 0.87 -0.24 1.11 1.57 -1.16 0.29 116.57 118.92 3i1a h LYS 1175Ca 0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3i1a h LYS 1175Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3i1a h LYS 1175CO -0.03 0.58 0.04 1.03 -0.57 0.00 0.00 179.45 180.50 3i1a h SER 1176N 0.90 0.38 -0.61 0.86 0.87 -1.05 -0.59 113.55 114.31 3i1a h SER 1176Ca 0.31 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3i1a h SER 1176Cb 0.06 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3i1a h SER 1176CO -0.13 0.54 0.26 0.15 -0.53 0.00 0.00 176.83 177.12 3i1a h PHE 1177N 0.20 0.91 -0.28 2.24 3.57 -0.88 -0.83 116.94 121.87 3i1a h PHE 1177Ca 0.07 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3i1a h PHE 1177Cb 0.32 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3i1a h PHE 1177CO 0.02 0.71 0.12 0.35 -2.23 0.00 0.00 178.31 177.28 3i1a h PHE 1178N 0.84 0.22 -0.29 0.41 3.57 -0.79 -2.10 116.94 118.79 3i1a h PHE 1178Ca 0.20 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.77 3i1a h PHE 1178Cb 0.18 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 3i1a h PHE 1178CO 0.01 0.11 0.01 -0.97 -2.23 0.00 0.00 178.31 175.24 3i1a h ASN 1179N 0.26 -0.10 0.30 0.41 -1.24 -0.60 0.11 115.58 114.73 3i1a h ASN 1179Ca 0.12 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 3i1a h ASN 1179Cb 0.07 0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 3i1a h ASN 1179CO -0.11 -0.02 -0.02 1.56 -1.29 0.00 0.00 177.43 177.56 3i1a h GLN 1180N 0.10 0.00 0.00 6.67 4.20 -0.81 -2.65 115.11 122.61 3i1a h GLN 1180Ca 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3i1a h GLN 1180Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3i1a h GLN 1180CO -0.23 0.02 -0.29 0.09 -0.67 0.00 0.00 178.83 177.75 3i1a n ASN 1181N -3.23 1.92 -0.12 1.46 3.02 -0.63 -4.84 115.26 112.85 3i1a n ASN 1181Ca -0.02 -3.39 -0.05 0.00 -0.03 0.00 0.00 54.58 51.10 3i1a n ASN 1181Cb 0.15 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 38.89 3i1a n ASN 1181CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3i1a h SER 1182N 0.50 -0.10 -0.75 6.41 0.02 -0.45 -1.88 113.55 117.30 3i1a h SER 1182Ca -0.01 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3i1a h SER 1182Cb 1.05 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 3i1a h SER 1182CO 0.00 -0.02 0.44 0.00 -1.14 0.00 0.00 176.83 176.12 3i1a h ALA 1183N 1.32 1.01 -0.55 3.77 0.00 -1.87 -0.61 119.26 122.33 3i1a h ALA 1183Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3i1a h ALA 1183Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3i1a h ALA 1183CO -0.29 0.15 -0.09 0.00 0.00 0.00 0.00 179.25 179.02 3i1a h ALA 1184N 1.37 0.79 -0.41 0.00 0.00 -1.88 -1.79 119.26 117.34 3i1a h ALA 1184Ca 0.33 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3i1a h ALA 1184Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3i1a h ALA 1184CO -0.17 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.60 3i1a h ILE 1185N 0.92 1.25 -0.62 0.00 2.04 -0.78 0.30 117.51 120.62 3i1a h ILE 1185Ca 0.15 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3i1a h ILE 1185Cb 0.65 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3i1a h ILE 1185CO 0.04 0.33 0.35 0.45 0.00 0.00 0.00 178.15 179.32 3i1a h HIS 1186N 0.54 0.83 -0.56 1.37 3.86 -1.06 -1.72 115.15 118.41 3i1a h HIS 1186Ca 0.12 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.21 3i1a h HIS 1186Cb 0.43 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3i1a h HIS 1186CO 0.03 0.58 -0.08 -0.09 0.86 0.00 0.00 177.93 179.23 3i1a h ARG 1187N 0.86 1.04 -0.34 2.45 2.43 -0.90 0.15 114.38 120.07 3i1a h ARG 1187Ca 0.22 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3i1a h ARG 1187Cb 0.01 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3i1a h ARG 1187CO -0.04 1.07 0.14 -0.07 -1.51 0.00 0.00 179.97 179.55 3i1a h LEU 1188N 0.93 0.48 -0.03 3.80 3.38 -0.32 -0.81 115.31 122.73 3i1a h LEU 1188Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i1a h LEU 1188Cb 0.64 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3i1a h LEU 1188CO 0.04 0.52 0.01 0.58 0.09 0.00 0.00 178.44 179.68 3i1a h VAL 1189N 0.41 1.20 -0.30 1.22 2.07 -1.18 -1.71 116.25 117.96 3i1a h VAL 1189Ca 0.11 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3i1a h VAL 1189Cb 0.19 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3i1a h VAL 1189CO -0.01 0.16 -0.11 0.44 0.02 0.00 0.00 177.57 178.07 3i1a h ASP 1190N -0.19 0.48 -0.20 0.57 3.32 -0.69 -0.34 116.42 119.36 3i1a h ASP 1190Ca 0.01 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.78 3i1a h ASP 1190Cb 0.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3i1a h ASP 1190CO 0.00 0.63 -0.49 0.74 -1.72 0.00 0.00 179.24 178.40 3i1a h THR 1191N 0.46 1.32 -0.77 0.35 2.02 -1.12 0.14 112.91 115.31 3i1a h THR 1191Ca 0.09 -1.72 0.01 0.00 0.77 0.00 0.00 66.41 65.56 3i1a h THR 1191Cb 0.47 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 3i1a h THR 1191CO 0.03 0.54 0.51 -1.28 0.37 0.00 0.00 175.52 175.68 3i1a h SER 1192N 0.38 0.88 0.02 4.18 0.87 -1.04 -0.85 113.55 117.99 3i1a h SER 1192Ca -0.00 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3i1a h SER 1192Cb 1.10 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 3i1a h SER 1192CO 0.11 0.64 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.96 3i1a h GLU 1193N 1.04 -0.03 -0.08 2.24 4.57 -0.90 -0.62 114.58 120.80 3i1a h GLU 1193Ca 0.28 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.50 3i1a h GLU 1193Cb -0.12 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 3i1a h GLU 1193CO -0.06 0.08 -0.15 -0.22 -1.18 0.00 0.00 179.01 177.48 3i1a h LYS 1194N -0.12 -0.20 -0.25 1.92 3.64 -0.69 -2.71 116.57 118.16 3i1a h LYS 1194Ca -0.00 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3i1a h LYS 1194Cb 0.11 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3i1a h LYS 1194CO 0.00 -0.13 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.76 3i1a h LEU 1195N -0.21 0.47 -1.75 5.20 3.38 -1.09 -2.06 115.31 119.26 3i1a h LEU 1195Ca 0.08 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3i1a h LEU 1195Cb 0.32 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3i1a h LEU 1195CO -0.20 0.69 0.20 0.77 0.09 0.00 0.00 178.44 179.99 3i1a h SER 1196N 0.42 0.29 1.09 -0.43 4.64 -0.79 -1.61 113.55 117.16 3i1a h SER 1196Ca 0.07 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 3i1a h SER 1196Cb 0.62 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 3i1a h SER 1196CO 0.04 0.20 -0.96 0.11 -0.87 0.00 0.00 176.83 175.36 3i1a h LYS 1197N 0.34 0.00 0.00 4.77 1.57 -1.24 -3.33 116.57 118.68 3i1a h LYS 1197Ca 0.12 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 3i1a h LYS 1197Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3i1a h LYS 1197CO -0.02 0.47 -0.85 -0.22 -0.57 0.00 0.00 179.45 178.25 3i1a h LYS 1198N 0.00 0.00 -6.53 3.15 3.64 -0.67 -3.45 116.57 112.72 3i1a h LYS 1198Ca -0.08 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.78 3i1a h LYS 1198Cb 1.52 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.38 3i1a h LYS 1198CO 0.06 0.85 1.12 0.42 -2.27 0.00 0.00 179.45 179.64 3i1a s ILE 1199N -2.98 2.45 0.39 2.00 1.01 -0.68 -4.96 121.20 118.42 3i1a s ILE 1199Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.43 3i1a s ILE 1199Cb 0.11 -3.00 -0.10 0.00 0.01 0.00 0.00 42.46 39.47 3i1a s ILE 1199CO 0.80 0.00 0.93 -1.10 0.00 0.00 0.00 174.94 175.57 3i1a s GLN 1200N 2.64 4.34 0.23 2.79 1.11 -1.26 -5.01 119.66 124.50 3i1a s GLN 1200Ca 0.81 1.17 -0.30 0.00 0.01 0.00 0.00 55.36 57.04 3i1a s GLN 1200Cb -0.47 -2.41 -0.10 0.00 -1.01 0.00 0.00 33.01 29.02 3i1a s GLN 1200CO 0.36 0.09 1.48 -2.14 0.01 0.00 0.00 175.29 175.09 3i1a s PRO 1201N -2.77 4.25 -0.40 2.91 0.02 -1.26 -4.95 135.00 132.80 3i1a s PRO 1201Ca 0.57 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.90 3i1a s PRO 1201Cb -0.12 -3.12 0.22 0.00 0.02 0.00 0.00 34.50 31.50 3i1a s PRO 1201CO 0.17 -0.47 1.02 -3.47 -0.33 0.00 0.00 177.00 173.91 3i1a n ASP 1202N 2.74 -2.07 0.28 2.53 -0.08 -1.26 -5.03 116.55 113.66 3i1a n ASP 1202Ca 0.09 -1.85 0.14 0.00 -1.51 0.00 0.00 54.79 51.66 3i1a n ASP 1202Cb 0.40 1.10 0.82 0.00 2.34 0.00 0.00 41.12 45.77 3i1a n ASP 1202CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3i1a h LEU 1203N 4.16 0.00 -1.53 -2.67 3.38 -2.00 -2.02 115.31 114.63 3i1a h LEU 1203Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i1a h LEU 1203Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3i1a h LEU 1203CO -0.05 0.06 0.00 0.44 0.09 0.00 0.00 178.44 178.98 3i1a h ASP 1204N 0.00 0.00 0.11 -0.43 5.19 -2.02 -1.85 116.42 117.42 3i1a h ASP 1204Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i1a h ASP 1204Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3i1a h ASP 1204CO 0.01 0.00 -0.14 0.29 -3.12 0.00 0.00 179.24 176.28 3i1a n LYS 1205N -2.52 1.25 -2.28 3.56 4.76 -0.76 -4.90 118.16 117.28 3i1a n LYS 1205Ca -0.00 -0.75 -0.41 0.00 -2.87 0.00 0.00 58.31 54.27 3i1a n LYS 1205Cb 0.13 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 3i1a n LYS 1205CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3i1a s TYR 1206N -2.27 3.31 0.17 2.13 1.51 -0.70 -4.29 117.35 117.22 3i1a s TYR 1206Ca 0.30 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.75 3i1a s TYR 1206Cb 0.20 -3.53 -0.04 0.00 -0.11 0.00 0.00 41.96 38.48 3i1a s TYR 1206CO 0.43 -1.51 0.05 0.14 -1.11 0.00 0.00 175.55 173.56 3i1a s VAL 1207N -0.35 0.37 -0.02 0.71 -7.23 0.38 -4.80 120.40 109.45 3i1a s VAL 1207Ca 0.52 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 3i1a s VAL 1207Cb -0.35 -2.21 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 3i1a s VAL 1207CO 0.41 -0.35 1.58 -0.22 -0.31 0.00 0.00 175.10 176.21 3i1a s LEU 1208N -3.15 4.33 0.06 1.32 2.96 -1.26 -1.57 118.68 121.37 3i1a s LEU 1208Ca 0.28 2.25 0.08 0.00 -0.22 0.00 0.00 54.13 56.52 3i1a s LEU 1208Cb 0.07 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 3i1a s LEU 1208CO 0.05 -0.87 -0.22 0.00 -1.32 0.00 0.00 176.35 174.00 3i1a h HIS 1210N 4.65 0.71 0.00 0.00 2.76 -1.92 -1.41 115.15 119.94 3i1a h HIS 1210Ca -0.44 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.58 3i1a h HIS 1210Cb 1.16 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.94 3i1a h HIS 1210CO 0.53 0.79 0.00 -1.13 -1.30 0.00 0.00 177.93 176.82 3i1a n SER 1211N -4.45 0.00 -2.72 3.26 3.41 -1.26 -3.95 113.62 107.91 3i1a n SER 1211Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.51 3i1a n SER 1211Cb 0.32 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.35 3i1a n SER 1211CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i1a n ASP 1212N 0.00 -0.90 -3.81 4.04 2.03 -1.26 -4.93 116.55 111.71 3i1a n ASP 1212Ca 0.00 -2.68 -0.42 0.00 0.52 0.00 0.00 54.79 52.21 3i1a n ASP 1212Cb 0.00 0.61 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 3i1a n ASP 1212CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i1a n ILE 1213N -0.31 4.78 -2.58 5.18 0.13 -1.26 -4.79 119.36 120.51 3i1a n ILE 1213Ca 0.03 -4.76 -0.24 0.00 -1.10 0.00 0.00 62.75 56.68 3i1a n ILE 1213Cb 0.82 -2.22 0.10 0.00 -0.84 0.00 0.00 39.64 37.51 3i1a n ILE 1213CO 0.00 0.00 0.00 -1.38 2.80 0.00 0.00 176.55 177.97 3i1a s HIS 1214N -0.74 1.66 0.58 9.51 -3.43 -1.26 -4.80 115.29 116.82 3i1a s HIS 1214Ca 0.40 -0.25 0.32 0.00 -0.80 0.00 0.00 55.06 54.73 3i1a s HIS 1214Cb 0.11 -2.99 1.88 0.00 -1.43 0.00 0.00 32.58 30.14 3i1a s HIS 1214CO 0.00 -1.68 2.26 0.00 -2.00 0.00 0.00 174.74 173.32 3i1a h ALA 1215N -0.51 1.43 0.00 -1.38 0.00 -1.92 -1.12 119.26 115.76 3i1a h ALA 1215Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i1a h ALA 1215Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i1a h ALA 1215CO 0.41 0.01 0.00 0.78 0.00 0.00 0.00 179.25 180.45 3i1a h GLY 1216N 0.08 0.00 -2.97 0.00 0.00 -1.93 0.15 103.07 98.40 3i1a h GLY 1216Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i1a h GLY 1216CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 3i1a n ASN 1217N -2.64 4.81 -4.14 0.19 3.02 -0.42 -4.78 115.26 111.29 3i1a n ASN 1217Ca 0.01 -2.56 -0.31 0.00 -0.03 0.00 0.00 54.58 51.69 3i1a n ASN 1217Cb 0.25 -0.58 -0.17 0.00 -0.61 0.00 0.00 39.78 38.67 3i1a n ASN 1217CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i1a s VAL 1218N -2.04 1.90 -0.14 2.41 1.01 -0.91 -1.26 120.40 121.36 3i1a s VAL 1218Ca 0.50 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3i1a s VAL 1218Cb 0.34 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3i1a s VAL 1218CO 0.22 0.52 0.11 -0.76 0.00 0.00 0.00 175.10 175.18 3i1a s LEU 1219N 0.83 4.17 -0.37 3.92 1.43 0.21 -1.59 118.68 127.28 3i1a s LEU 1219Ca -0.08 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 3i1a s LEU 1219Cb -0.16 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.12 3i1a s LEU 1219CO -0.01 0.33 0.14 -0.69 0.23 0.00 0.00 176.35 176.35 3i1a s VAL 1220N -0.56 3.46 0.00 -1.59 1.01 0.35 -1.11 120.40 121.96 3i1a s VAL 1220Ca 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.51 3i1a s VAL 1220Cb -0.12 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3i1a s VAL 1220CO 0.02 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.32 3i1a n GLY 1221N 4.70 0.73 0.00 4.51 0.00 -0.95 -3.90 105.19 110.28 3i1a n GLY 1221Ca -0.08 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3i1a n GLY 1221CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1a n ASN 1222N 0.00 0.00 0.00 1.61 5.03 -1.26 -4.65 115.26 115.99 3i1a n ASN 1222Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i1a n ASN 1222Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i1a n ASN 1222CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3i1a n GLU 1223N 0.00 0.00 -0.05 3.52 -0.58 -1.26 -2.15 120.64 120.12 3i1a n GLU 1223Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i1a n GLU 1223Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i1a n GLU 1223CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i1a n GLU 1224N 0.00 0.00 -2.06 3.49 -0.58 -1.26 -5.11 120.64 115.12 3i1a n GLU 1224Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 3i1a n GLU 1224Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i1a n GLU 1224CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3i1a s SER 1225N 0.00 6.27 0.13 1.62 1.04 -0.91 -4.57 113.70 117.28 3i1a s SER 1225Ca 0.00 1.35 -0.03 0.00 0.48 0.00 0.00 55.95 57.75 3i1a s SER 1225Cb 0.00 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 3i1a s SER 1225CO 0.00 -0.79 0.10 0.27 0.98 0.00 0.00 173.24 173.80 3i1a s ILE 1226N -3.05 0.10 -0.02 -1.02 -4.36 -1.26 -2.23 121.20 109.36 3i1a s ILE 1226Ca 0.54 -1.79 -0.01 0.00 -0.26 0.00 0.00 60.65 59.13 3i1a s ILE 1226Cb -0.11 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.65 3i1a s ILE 1226CO 0.50 -0.46 0.04 -0.31 0.24 0.00 0.00 174.94 174.95 3i1a s TYR 1227N -4.02 -0.03 -0.25 1.37 2.02 -0.26 -4.56 117.35 111.62 3i1a s TYR 1227Ca 0.22 0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.96 3i1a s TYR 1227Cb 0.07 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.51 3i1a s TYR 1227CO 0.01 -0.06 0.13 0.42 -1.57 0.00 0.00 175.55 174.48 3i1a s ILE 1228N 0.47 4.97 0.47 2.71 1.01 0.65 -0.62 121.20 130.86 3i1a s ILE 1228Ca -0.04 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3i1a s ILE 1228Cb -0.05 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 3i1a s ILE 1228CO -0.02 0.33 0.07 0.27 0.00 0.00 0.00 174.94 175.60 3i1a s ILE 1229N 1.33 1.62 -0.30 2.92 -4.36 -0.39 -4.54 121.20 117.49 3i1a s ILE 1229Ca 0.06 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.47 3i1a s ILE 1229Cb -0.15 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.05 3i1a s ILE 1229CO 0.06 0.00 0.37 -0.67 0.24 0.00 0.00 174.94 174.94 3i1a n ASP 1230N -1.23 -5.59 -1.69 4.36 -0.08 -1.26 -4.83 116.55 106.22 3i1a n ASP 1230Ca -0.11 0.25 -0.14 0.00 -1.51 0.00 0.00 54.79 53.29 3i1a n ASP 1230Cb 0.66 -3.65 0.19 0.00 2.34 0.00 0.00 41.12 40.66 3i1a n ASP 1230CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 3i1a n TRP 1231N -0.59 2.07 0.22 -0.67 7.02 -1.26 -4.60 117.44 119.62 3i1a n TRP 1231Ca 0.06 -1.73 0.12 0.00 -1.02 0.00 0.00 57.50 54.92 3i1a n TRP 1231Cb 0.32 -0.72 0.20 0.00 -2.42 0.00 0.00 31.31 28.70 3i1a n TRP 1231CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3i1a h ASP 1232N 1.01 0.00 -1.39 -0.99 3.32 -1.93 -3.31 116.42 113.12 3i1a h ASP 1232Ca 0.43 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 57.03 3i1a h ASP 1232Cb 2.26 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 41.40 3i1a h ASP 1232CO 0.74 0.03 -1.07 -0.62 -1.72 0.00 0.00 179.24 176.61 3i1a n GLU 1233N -3.11 1.70 -1.42 3.56 1.02 -1.26 -4.70 120.64 116.44 3i1a n GLU 1233Ca 0.04 -3.64 -0.29 0.00 -0.02 0.00 0.00 57.16 53.25 3i1a n GLU 1233Cb 0.53 -1.60 0.16 0.00 -0.02 0.00 0.00 31.44 30.50 3i1a n GLU 1233CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3i1a s PRO 1234N -3.09 0.76 0.33 3.49 0.04 -1.25 -4.67 135.00 130.60 3i1a s PRO 1234Ca 0.35 0.30 -0.14 0.00 0.04 0.00 0.00 61.00 61.55 3i1a s PRO 1234Cb 0.41 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 33.19 3i1a s PRO 1234CO -0.04 -2.46 0.67 0.00 0.04 0.00 0.00 177.00 175.21 3i1a s MET 1235N -5.22 1.98 -0.21 4.56 0.23 -0.53 -4.39 119.30 115.72 3i1a s MET 1235Ca 0.65 -1.37 -0.06 0.00 -1.03 0.00 0.00 55.69 53.88 3i1a s MET 1235Cb -0.15 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 3i1a s MET 1235CO 0.55 -0.89 0.03 -0.51 -2.03 0.00 0.00 175.02 172.17 3i1a s LEU 1236N -3.06 3.40 0.19 0.18 1.43 -0.42 -0.68 118.68 119.72 3i1a s LEU 1236Ca 0.18 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.89 3i1a s LEU 1236Cb -0.04 -1.88 0.06 0.00 0.03 0.00 0.00 46.19 44.36 3i1a s LEU 1236CO 0.12 0.05 0.93 0.00 0.23 0.00 0.00 176.35 177.68 3i1a s ALA 1237N 1.09 -1.54 0.66 4.21 0.00 -0.61 -1.38 121.76 124.19 3i1a s ALA 1237Ca 0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 3i1a s ALA 1237Cb -0.14 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 3i1a s ALA 1237CO 0.02 -1.04 1.29 -2.14 0.00 0.00 0.00 175.76 173.89 3i1a s PRO 1238N -3.20 2.50 0.58 0.00 0.02 -1.26 -0.47 135.00 133.17 3i1a s PRO 1238Ca 0.13 2.04 0.27 0.00 0.02 0.00 0.00 61.00 63.47 3i1a s PRO 1238Cb -0.02 -1.84 1.66 0.00 0.02 0.00 0.00 34.50 34.32 3i1a s PRO 1238CO 0.04 -1.63 2.16 1.57 -0.33 0.00 0.00 177.00 178.81 3i1a h LYS 1239N 0.46 0.00 0.00 5.54 2.10 -1.90 -0.88 116.57 121.89 3i1a h LYS 1239Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3i1a h LYS 1239Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3i1a h LYS 1239CO 0.53 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.37 3i1a n GLU 1240N -3.93 0.15 -0.18 0.07 4.71 -1.26 -1.19 120.64 119.00 3i1a n GLU 1240Ca -0.00 0.62 0.03 0.00 -0.01 0.00 0.00 57.16 57.80 3i1a n GLU 1240Cb 0.22 -1.96 0.30 0.00 -1.01 0.00 0.00 31.44 29.00 3i1a n GLU 1240CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3i1a h ARG 1241N 0.00 0.85 0.06 3.49 9.65 -1.50 -1.76 114.38 125.17 3i1a h ARG 1241Ca 0.00 -0.05 -0.38 0.00 -1.10 0.00 0.00 59.98 58.45 3i1a h ARG 1241Cb 0.03 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.38 3i1a h ARG 1241CO 0.00 0.56 -2.24 -0.25 2.80 0.00 0.00 179.97 180.84 3i1a n ASP 1242N -4.45 2.05 0.29 -3.80 8.00 -0.33 -4.42 116.55 113.87 3i1a n ASP 1242Ca 0.09 0.04 0.16 0.00 0.71 0.00 0.00 54.79 55.78 3i1a n ASP 1242Cb 0.11 -0.63 0.85 0.00 -0.02 0.00 0.00 41.12 41.43 3i1a n ASP 1242CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3i1a h LEU 1243N 0.04 0.00 -2.50 0.64 3.38 -1.17 -2.25 115.31 113.45 3i1a h LEU 1243Ca -0.50 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.48 3i1a h LEU 1243Cb 1.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 3i1a h LEU 1243CO -0.00 0.06 0.11 0.00 0.09 0.00 0.00 178.44 178.70 3i1a h MET 1244N 0.00 0.00 0.00 1.13 -0.00 -1.53 -1.30 114.93 113.23 3i1a h MET 1244Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.61 3i1a h MET 1244Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.84 3i1a h MET 1244CO 0.01 0.00 -0.41 0.74 -0.00 0.00 0.00 176.91 177.25 3i1a h PHE 1245N 0.00 0.00 -3.23 -0.10 -1.00 -1.69 -3.26 116.94 107.67 3i1a h PHE 1245Ca 0.03 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.24 3i1a h PHE 1245Cb 0.24 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.75 3i1a h PHE 1245CO 0.00 0.41 1.05 0.42 -1.61 0.00 0.00 178.31 178.58 3i1a s ILE 1246N -3.41 3.94 0.00 -0.55 -1.09 -0.49 -1.31 121.20 118.30 3i1a s ILE 1246Ca 0.01 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 3i1a s ILE 1246Cb 0.10 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 3i1a s ILE 1246CO 0.70 -0.68 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 3i1a n GLY 1247N 4.90 0.76 0.16 6.18 0.00 -1.09 -4.94 105.19 111.16 3i1a n GLY 1247Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3i1a n GLY 1247CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i1a h GLY 1248N 0.00 0.00 -0.07 -0.02 0.00 -0.82 -3.42 103.07 98.73 3i1a h GLY 1248Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3i1a h GLY 1248CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.12 3i1a n GLY 1249N 0.77 0.51 3.69 4.60 0.00 -0.54 -4.41 105.19 109.81 3i1a n GLY 1249Ca 0.04 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3i1a n GLY 1249CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1a s VAL 1250N -1.94 2.80 -0.29 1.61 1.01 -1.23 -1.41 120.40 120.96 3i1a s VAL 1250Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3i1a s VAL 1250Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3i1a s VAL 1250CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3i1a n GLY 1251N 4.05 0.60 2.94 4.51 0.00 -1.26 -3.58 105.19 112.44 3i1a n GLY 1251Ca 0.16 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 3i1a n GLY 1251CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1a n ASN 1252N 0.99 -6.00 -3.56 1.61 2.85 -0.50 -5.00 115.26 105.65 3i1a n ASN 1252Ca -0.03 -0.26 -0.16 0.00 -0.11 0.00 0.00 54.58 54.02 3i1a n ASN 1252Cb 0.11 -4.83 -0.07 0.00 1.24 0.00 0.00 39.78 36.23 3i1a n ASN 1252CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3i1a s VAL 1253N -3.16 0.00 -1.22 3.44 -7.23 -1.24 -4.93 120.40 106.07 3i1a s VAL 1253Ca 0.28 -1.87 -0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3i1a s VAL 1253Cb -0.12 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 3i1a s VAL 1253CO 0.34 0.00 0.93 0.79 -0.31 0.00 0.00 175.10 176.86 3i1a n TRP 1254N -0.51 -2.14 -1.95 2.82 7.02 -1.26 -3.54 117.44 117.87 3i1a n TRP 1254Ca 0.04 0.91 0.01 0.00 -1.02 0.00 0.00 57.50 57.45 3i1a n TRP 1254Cb 0.63 -4.91 0.02 0.00 -2.42 0.00 0.00 31.31 24.62 3i1a n TRP 1254CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 3i1a n ASN 1255N -3.12 0.30 -4.55 -0.99 0.23 -1.26 -1.47 115.26 104.40 3i1a n ASN 1255Ca -0.28 -2.11 -0.34 0.00 -0.53 0.00 0.00 54.58 51.32 3i1a n ASN 1255Cb 0.67 -0.23 -0.12 0.00 -2.08 0.00 0.00 39.78 38.02 3i1a n ASN 1255CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3i1a s LYS 1256N -0.28 3.12 0.25 -3.83 1.02 -1.26 -4.99 119.74 113.76 3i1a s LYS 1256Ca 0.06 -0.54 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 3i1a s LYS 1256Cb 0.06 -2.72 0.48 0.00 -0.52 0.00 0.00 37.83 35.13 3i1a s LYS 1256CO -0.01 0.50 1.72 -1.35 -0.92 0.00 0.00 175.35 175.29 3i1a h PRO 1257N 5.82 0.42 -0.03 -1.68 0.11 -1.99 -2.46 132.00 132.19 3i1a h PRO 1257Ca -0.41 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 3i1a h PRO 1257Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3i1a h PRO 1257CO 0.56 0.28 -0.41 1.12 -0.21 0.00 0.00 178.00 179.34 3i1a h HIS 1258N 0.43 0.07 -0.21 0.65 2.07 -1.99 -1.84 115.15 114.33 3i1a h HIS 1258Ca 0.42 -0.02 -0.13 0.00 -2.85 0.00 0.00 60.37 57.80 3i1a h HIS 1258Cb 0.66 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.61 3i1a h HIS 1258CO -0.17 0.46 -0.40 0.93 -3.07 0.00 0.00 177.93 175.68 3i1a h GLU 1259N 0.05 0.49 -0.38 5.12 5.08 -1.87 0.16 114.58 123.23 3i1a h GLU 1259Ca 0.00 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3i1a h GLU 1259Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3i1a h GLU 1259CO 0.06 0.81 0.14 0.82 -1.00 0.00 0.00 179.01 179.83 3i1a h ILE 1260N 0.40 1.20 -0.35 3.13 2.04 -1.30 -0.41 117.51 122.22 3i1a h ILE 1260Ca 0.04 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3i1a h ILE 1260Cb 0.87 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3i1a h ILE 1260CO 0.07 0.22 0.19 -0.61 0.00 0.00 0.00 178.15 178.03 3i1a h GLN 1261N 0.46 0.38 -0.64 2.37 4.15 -0.90 -1.76 115.11 119.17 3i1a h GLN 1261Ca 0.12 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 3i1a h GLN 1261Cb 0.22 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3i1a h GLN 1261CO -0.01 0.25 0.17 1.88 -1.93 0.00 0.00 178.83 179.20 3i1a h TYR 1262N 0.40 1.07 -0.24 3.99 0.05 -0.84 -1.53 116.97 119.86 3i1a h TYR 1262Ca 0.14 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3i1a h TYR 1262Cb 0.02 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.42 3i1a h TYR 1262CO -0.08 0.88 -0.00 0.35 -1.05 0.00 0.00 178.16 178.25 3i1a h PHE 1263N 0.95 -0.02 0.00 4.88 3.57 -0.71 -1.89 116.94 123.72 3i1a h PHE 1263Ca 0.20 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3i1a h PHE 1263Cb 0.34 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3i1a h PHE 1263CO 0.02 -0.04 -0.21 1.88 -2.23 0.00 0.00 178.31 177.74 3i1a h TYR 1264N 0.07 0.00 -0.38 0.41 -1.99 -1.10 0.14 116.97 114.12 3i1a h TYR 1264Ca 0.11 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 3i1a h TYR 1264Cb 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 3i1a h TYR 1264CO -0.20 0.21 -0.04 0.93 -0.00 0.00 0.00 178.16 179.06 3i1a h GLU 1265N 0.00 0.62 0.26 4.88 5.08 -0.52 -0.88 114.58 124.02 3i1a h GLU 1265Ca -0.00 -0.16 -0.34 0.00 -1.00 0.00 0.00 59.36 57.86 3i1a h GLU 1265Cb 0.61 -0.08 0.04 0.00 0.50 0.00 0.00 28.75 29.82 3i1a h GLU 1265CO 0.03 0.67 -1.50 0.78 -1.00 0.00 0.00 179.01 177.99 3i1a h GLY 1266N 0.92 0.62 1.16 -3.84 0.00 -0.64 -3.32 103.07 97.98 3i1a h GLY 1266Ca 0.12 -1.58 -0.00 0.00 0.00 0.00 0.00 47.33 45.86 3i1a h GLY 1266CO 0.02 1.38 0.50 -1.82 0.00 0.00 0.00 176.54 176.62 3i1a h TYR 1267N 0.15 1.08 0.00 5.60 3.20 -0.66 -3.20 116.97 123.13 3i1a h TYR 1267Ca -0.26 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3i1a h TYR 1267Cb 2.17 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 40.09 3i1a h TYR 1267CO 0.13 0.71 0.00 0.41 -1.64 0.00 0.00 178.16 177.77 3i1a n GLY 1268N -1.29 1.79 2.98 1.82 0.00 -0.34 -4.81 105.19 105.34 3i1a n GLY 1268Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3i1a n GLY 1268CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i1a s GLU 1269N -0.59 0.26 -0.17 1.61 -1.05 -1.26 -5.06 118.70 112.43 3i1a s GLU 1269Ca 0.00 -0.36 0.14 0.00 -0.15 0.00 0.00 54.97 54.60 3i1a s GLU 1269Cb 0.00 0.10 0.37 0.00 -0.44 0.00 0.00 34.13 34.15 3i1a s GLU 1269CO 0.00 -0.05 1.19 0.44 0.95 0.00 0.00 175.26 177.79 3i1a n ILE 1270N 2.04 2.03 -2.33 1.83 -5.35 -1.26 -4.89 119.36 111.44 3i1a n ILE 1270Ca -0.20 -2.81 -0.43 0.00 -0.27 0.00 0.00 62.75 59.05 3i1a n ILE 1270Cb 0.57 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 3i1a n ILE 1270CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3i1a n ASN 1271N -1.21 4.82 -4.72 7.28 4.13 -1.26 -4.93 115.26 119.36 3i1a n ASN 1271Ca 0.17 -3.01 -0.37 0.00 1.68 0.00 0.00 54.58 53.06 3i1a n ASN 1271Cb 0.68 -1.56 -0.07 0.00 -1.54 0.00 0.00 39.78 37.28 3i1a n ASN 1271CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3i1a s VAL 1272N 1.60 5.30 -0.60 2.41 1.01 -1.26 -5.03 120.40 123.82 3i1a s VAL 1272Ca 0.43 0.55 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 3i1a s VAL 1272Cb 0.08 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3i1a s VAL 1272CO -0.01 0.37 1.34 -0.62 0.00 0.00 0.00 175.10 176.18 3i1a s ASP 1273N 0.56 6.21 0.47 3.32 -1.08 -1.26 -4.88 116.67 120.00 3i1a s ASP 1273Ca 0.16 0.11 0.20 0.00 -0.52 0.00 0.00 52.55 52.50 3i1a s ASP 1273Cb -0.13 -2.55 1.15 0.00 -1.46 0.00 0.00 42.92 39.92 3i1a s ASP 1273CO 0.04 -1.68 2.00 0.11 0.52 0.00 0.00 175.17 176.16 3i1a h LYS 1274N 10.54 0.00 -0.18 4.34 1.57 -1.98 -1.18 116.57 129.68 3i1a h LYS 1274Ca -0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3i1a h LYS 1274Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3i1a h LYS 1274CO 1.20 0.19 -0.08 1.15 -0.57 0.00 0.00 179.45 181.33 3i1a h THR 1275N 0.00 1.31 -0.44 -0.16 2.02 -1.99 -0.68 112.91 112.98 3i1a h THR 1275Ca -0.00 -1.13 -0.13 0.00 0.77 0.00 0.00 66.41 65.92 3i1a h THR 1275Cb 0.38 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 3i1a h THR 1275CO 0.02 0.34 -0.25 0.40 0.37 0.00 0.00 175.52 176.40 3i1a h ILE 1276N 0.05 1.27 -0.50 3.11 2.04 -1.88 -0.01 117.51 121.60 3i1a h ILE 1276Ca 0.04 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 3i1a h ILE 1276Cb 0.56 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3i1a h ILE 1276CO 0.03 0.48 0.26 0.25 0.00 0.00 0.00 178.15 179.16 3i1a h LEU 1277N 0.78 0.63 -0.63 1.44 5.85 -1.15 -1.08 115.31 121.15 3i1a h LEU 1277Ca 0.10 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 3i1a h LEU 1277Cb 0.81 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3i1a h LEU 1277CO 0.07 0.56 -0.24 0.28 -0.34 0.00 0.00 178.44 178.77 3i1a h SER 1278N 0.66 0.85 -0.15 1.25 0.02 -0.98 -2.11 113.55 113.09 3i1a h SER 1278Ca 0.17 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3i1a h SER 1278Cb 0.08 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 3i1a h SER 1278CO -0.03 1.05 -0.10 0.22 -1.14 0.00 0.00 176.83 176.83 3i1a h TYR 1279N 0.71 -0.25 -0.63 3.45 3.20 -0.58 -1.90 116.97 120.98 3i1a h TYR 1279Ca 0.09 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3i1a h TYR 1279Cb 0.77 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 3i1a h TYR 1279CO 0.04 -0.16 0.08 1.88 -1.64 0.00 0.00 178.16 178.37 3i1a h TYR 1280N -0.10 1.12 -0.86 -3.82 0.05 -1.05 0.15 116.97 112.46 3i1a h TYR 1280Ca 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3i1a h TYR 1280Cb 0.24 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 3i1a h TYR 1280CO -0.24 0.95 0.48 0.00 -1.05 0.00 0.00 178.16 178.31 3i1a h ARG 1281N 0.98 1.19 -0.08 4.88 3.08 -1.07 0.03 114.38 123.40 3i1a h ARG 1281Ca 0.19 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 3i1a h ARG 1281Cb 0.45 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3i1a h ARG 1281CO 0.02 0.86 -0.55 0.45 -1.07 0.00 0.00 179.97 179.68 3i1a h HIS 1282N 1.19 0.70 -0.86 3.04 3.86 -1.05 -3.29 115.15 118.75 3i1a h HIS 1282Ca 0.30 -0.33 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3i1a h HIS 1282Cb 0.01 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 3i1a h HIS 1282CO 0.01 1.12 0.43 1.49 0.86 0.00 0.00 177.93 181.83 3i1a h GLU 1283N 0.09 1.23 -0.74 2.45 4.57 -0.49 -1.32 114.58 120.36 3i1a h GLU 1283Ca -0.05 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 3i1a h GLU 1283Cb 1.21 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 29.54 3i1a h GLU 1283CO 0.11 0.93 0.42 -0.09 -1.18 0.00 0.00 179.01 179.20 3i1a h ARG 1284N 1.22 1.02 -0.43 1.92 2.43 -1.10 -0.14 114.38 119.30 3i1a h ARG 1284Ca 0.30 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 3i1a h ARG 1284Cb 0.10 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3i1a h ARG 1284CO -0.04 0.74 -0.14 0.82 -1.51 0.00 0.00 179.97 179.84 3i1a h ILE 1285N 1.03 1.27 -0.51 1.20 2.04 -1.51 -1.66 117.51 119.37 3i1a h ILE 1285Ca 0.26 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.89 3i1a h ILE 1285Cb 0.00 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3i1a h ILE 1285CO -0.05 0.43 0.30 0.58 0.00 0.00 0.00 178.15 179.42 3i1a h VAL 1286N 0.68 1.05 -0.63 1.67 2.07 -0.69 -0.01 116.25 120.39 3i1a h VAL 1286Ca 0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3i1a h VAL 1286Cb 0.68 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3i1a h VAL 1286CO 0.05 0.11 0.41 -0.08 0.02 0.00 0.00 177.57 178.08 3i1a h GLU 1287N 0.61 0.84 -0.60 1.57 4.81 -0.85 -0.46 114.58 120.49 3i1a h GLU 1287Ca 0.21 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3i1a h GLU 1287Cb 0.03 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3i1a h GLU 1287CO -0.10 0.56 0.13 -0.44 -0.73 0.00 0.00 179.01 178.44 3i1a h ASP 1288N 0.86 0.93 -0.80 1.04 3.32 -0.67 -1.44 116.42 119.66 3i1a h ASP 1288Ca 0.23 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3i1a h ASP 1288Cb -0.09 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 3i1a h ASP 1288CO -0.05 0.93 0.45 0.40 -1.72 0.00 0.00 179.24 179.25 3i1a h ILE 1289N 0.88 1.23 -0.27 0.35 2.04 -0.60 -0.14 117.51 121.01 3i1a h ILE 1289Ca 0.19 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i1a h ILE 1289Cb 0.37 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3i1a h ILE 1289CO 0.00 0.25 0.15 0.00 0.00 0.00 0.00 178.15 178.56 3i1a h ALA 1290N 1.24 0.34 -0.15 1.87 0.00 -0.72 0.75 119.26 122.59 3i1a h ALA 1290Ca 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3i1a h ALA 1290Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i1a h ALA 1290CO -0.05 -0.13 -0.01 0.28 0.00 0.00 0.00 179.25 179.34 3i1a h VAL 1291N 0.32 1.27 -0.50 0.00 2.07 -0.94 -1.06 116.25 117.41 3i1a h VAL 1291Ca 0.09 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 3i1a h VAL 1291Cb 0.06 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3i1a h VAL 1291CO -0.02 0.27 -0.01 1.88 0.02 0.00 0.00 177.57 179.71 3i1a h TYR 1292N 0.00 0.98 -0.57 1.57 0.99 -1.04 -1.96 116.97 116.95 3i1a h TYR 1292Ca 0.04 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.59 3i1a h TYR 1292Cb 0.41 -0.25 -0.03 0.00 1.00 0.00 0.00 36.73 37.86 3i1a h TYR 1292CO 0.04 0.92 0.34 0.78 -0.00 0.00 0.00 178.16 180.24 3i1a h GLY 1293N 0.76 0.82 1.19 3.88 0.00 -0.83 -0.14 103.07 108.75 3i1a h GLY 1293Ca 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 3i1a h GLY 1293CO 0.03 0.34 0.12 1.46 0.00 0.00 0.00 176.54 178.49 3i1a h GLN 1294N 0.76 1.00 -0.52 4.80 4.20 -1.05 0.20 115.11 124.50 3i1a h GLN 1294Ca 0.20 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3i1a h GLN 1294Cb -0.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3i1a h GLN 1294CO -0.04 0.91 0.15 0.22 -0.67 0.00 0.00 178.83 179.41 3i1a h ASP 1295N 0.95 0.77 -0.08 1.46 3.58 -0.92 -1.13 116.42 121.04 3i1a h ASP 1295Ca 0.20 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 3i1a h ASP 1295Cb 0.38 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 3i1a h ASP 1295CO 0.01 0.78 -0.07 -0.07 -2.88 0.00 0.00 179.24 177.00 3i1a h LEU 1296N 0.72 0.20 0.00 2.28 3.38 -0.73 -3.08 115.31 118.08 3i1a h LEU 1296Ca 0.17 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3i1a h LEU 1296Cb 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i1a h LEU 1296CO -0.00 0.64 0.00 0.18 0.09 0.00 0.00 178.44 179.35 3i1a n LEU 1297N -4.70 0.00 0.24 1.67 4.77 0.68 -2.38 117.00 117.27 3i1a n LEU 1297Ca -0.07 0.12 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 3i1a n LEU 1297Cb 0.31 -0.12 0.59 0.00 -2.33 0.00 0.00 43.42 41.86 3i1a n LEU 1297CO 0.36 -0.05 0.88 -1.28 -1.33 0.00 0.00 177.39 175.98 3i1a h SER 1298N 0.00 0.00 -1.94 -1.43 0.87 -1.11 -3.46 113.55 106.49 3i1a h SER 1298Ca 0.00 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.16 3i1a h SER 1298Cb 0.07 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.93 3i1a h SER 1298CO 0.00 0.20 -0.42 0.54 -0.53 0.00 0.00 176.83 176.62 3i1a n ARG 1299N -3.70 -1.57 -2.84 2.24 1.74 -1.00 -4.92 116.66 106.62 3i1a n ARG 1299Ca -0.01 1.07 -0.43 0.00 -0.77 0.00 0.00 57.85 57.70 3i1a n ARG 1299Cb 0.31 -5.56 -0.03 0.00 -1.02 0.00 0.00 32.46 26.17 3i1a n ARG 1299CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3i1a s ASN 1300N -2.40 6.37 0.56 0.55 3.84 -1.26 -4.88 114.94 117.72 3i1a s ASN 1300Ca 0.00 -1.40 0.26 0.00 0.21 0.00 0.00 52.86 51.93 3i1a s ASN 1300Cb 0.00 -2.43 1.63 0.00 -0.55 0.00 0.00 41.25 39.89 3i1a s ASN 1300CO 0.00 -1.33 2.20 -0.61 -2.79 0.00 0.00 177.10 174.57 3i1a h GLN 1301N 9.34 0.00 0.00 0.43 5.75 -1.98 -1.89 115.11 126.76 3i1a h GLN 1301Ca -0.07 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3i1a h GLN 1301Cb 1.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 3i1a h GLN 1301CO 1.19 0.02 -0.17 -0.91 -2.65 0.00 0.00 178.83 176.30 3i1a h ASN 1302N 0.00 0.00 -2.65 -0.69 4.21 -2.02 -3.41 115.58 111.02 3i1a h ASN 1302Ca -0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.97 3i1a h ASN 1302Cb 0.05 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.18 3i1a h ASN 1302CO 0.00 0.17 1.04 0.21 -1.29 0.00 0.00 177.43 177.57 3i1a s ASN 1303N -6.10 6.24 0.14 5.81 3.04 -0.71 -4.88 114.94 118.48 3i1a s ASN 1303Ca 0.01 -0.22 0.22 0.00 0.04 0.00 0.00 52.86 52.91 3i1a s ASN 1303Cb 0.10 -2.56 0.88 0.00 -1.54 0.00 0.00 41.25 38.13 3i1a s ASN 1303CO 0.62 -1.73 1.68 0.00 -3.04 0.00 0.00 177.10 174.63 3i1a n GLN 1304N 9.04 0.13 0.27 0.43 -0.00 -1.26 -2.77 117.38 123.22 3i1a n GLN 1304Ca 0.06 0.29 0.18 0.00 -0.00 0.00 0.00 57.00 57.52 3i1a n GLN 1304Cb 0.49 -1.71 0.83 0.00 -0.00 0.00 0.00 30.24 29.85 3i1a n GLN 1304CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3i1a h SER 1305N 0.00 0.00 -0.78 2.61 4.64 -1.95 -2.88 113.55 115.19 3i1a h SER 1305Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3i1a h SER 1305Cb 0.41 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 3i1a h SER 1305CO 0.00 0.00 0.51 0.03 -0.87 0.00 0.00 176.83 176.50 3i1a h ARG 1306N 0.00 1.00 -0.62 4.77 3.08 -1.85 0.28 114.38 121.03 3i1a h ARG 1306Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3i1a h ARG 1306Cb 0.30 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3i1a h ARG 1306CO 0.00 0.66 0.19 1.25 -1.07 0.00 0.00 179.97 181.00 3i1a h LEU 1307N 1.03 0.90 -0.43 3.04 5.85 -1.76 -1.58 115.31 122.36 3i1a h LEU 1307Ca 0.29 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3i1a h LEU 1307Cb -0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 3i1a h LEU 1307CO -0.07 0.87 0.07 -0.33 -0.34 0.00 0.00 178.44 178.65 3i1a h GLU 1308N 0.89 0.71 -0.54 1.25 4.39 -1.49 -2.18 114.58 117.61 3i1a h GLU 1308Ca 0.20 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.74 3i1a h GLU 1308Cb 0.29 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3i1a h GLU 1308CO -0.01 0.74 0.31 0.77 -1.16 0.00 0.00 179.01 179.66 3i1a h SER 1309N 0.57 0.48 -0.70 1.42 0.02 -0.73 -0.49 113.55 114.12 3i1a h SER 1309Ca 0.13 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3i1a h SER 1309Cb 0.37 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3i1a h SER 1309CO 0.01 0.33 0.28 0.15 -1.14 0.00 0.00 176.83 176.45 3i1a h PHE 1310N 0.60 1.06 0.12 3.45 3.57 -1.14 -0.20 116.94 124.40 3i1a h PHE 1310Ca 0.23 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3i1a h PHE 1310Cb 0.07 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3i1a h PHE 1310CO -0.08 0.82 -0.09 -0.22 -2.23 0.00 0.00 178.31 176.52 3i1a h LYS 1311N 0.99 -0.20 -0.45 1.11 3.64 -0.80 -2.17 116.57 118.69 3i1a h LYS 1311Ca 0.23 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3i1a h LYS 1311Cb 0.21 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3i1a h LYS 1311CO -0.02 -0.13 0.05 1.88 -2.27 0.00 0.00 179.45 178.96 3i1a h TYR 1312N -0.21 0.73 0.06 1.91 0.99 -0.98 -1.94 116.97 117.54 3i1a h TYR 1312Ca -0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3i1a h TYR 1312Cb 0.19 -0.21 -0.00 0.00 1.00 0.00 0.00 36.73 37.70 3i1a h TYR 1312CO -0.10 0.66 -0.05 0.35 -0.00 0.00 0.00 178.16 179.03 3i1a h PHE 1313N 0.68 -0.13 -0.61 4.88 3.57 -0.78 -3.01 116.94 121.54 3i1a h PHE 1313Ca 0.14 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3i1a h PHE 1313Cb 0.34 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3i1a h PHE 1313CO 0.02 -0.08 0.03 0.87 -2.23 0.00 0.00 178.31 176.92 3i1a h LYS 1314N -0.12 1.06 -0.89 1.11 1.57 -1.19 -3.12 116.57 114.99 3i1a h LYS 1314Ca -0.00 -0.32 0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3i1a h LYS 1314Cb 0.11 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 3i1a h LYS 1314CO -0.01 1.02 0.58 0.93 -0.57 0.00 0.00 179.45 181.40 3i1a h GLU 1315N 0.96 0.56 -0.12 3.15 5.08 -1.23 -0.71 114.58 122.27 3i1a h GLU 1315Ca 0.18 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3i1a h GLU 1315Cb 0.52 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i1a h GLU 1315CO 0.03 0.37 0.13 0.52 -1.00 0.00 0.00 179.01 179.06 3i1a h MET 1316N 0.58 0.00 -0.38 2.33 2.86 -1.46 -1.56 114.93 117.30 3i1a h MET 1316Ca 0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 3i1a h MET 1316Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3i1a h MET 1316CO -0.20 0.00 0.00 1.19 1.06 0.00 0.00 176.91 178.96 3i1a n PHE 1317N -3.85 0.50 -1.38 -0.22 3.01 -0.27 -2.31 117.46 112.94 3i1a n PHE 1317Ca 0.00 -0.25 -0.31 0.00 1.01 0.00 0.00 57.45 57.90 3i1a n PHE 1317Cb 0.24 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.79 3i1a n PHE 1317CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i1a s ASP 1318N -1.35 4.79 0.22 4.37 1.01 -0.59 -4.92 116.67 120.22 3i1a s ASP 1318Ca 0.36 1.78 -0.31 0.00 0.71 0.00 0.00 52.55 55.09 3i1a s ASP 1318Cb 0.20 -2.52 -0.14 0.00 1.01 0.00 0.00 42.92 41.48 3i1a s ASP 1318CO 0.28 -1.84 1.32 -2.65 0.21 0.00 0.00 175.17 172.49 3i1a n PRO 1319N -3.33 1.77 -1.67 8.23 -0.02 -1.26 -1.34 135.00 137.37 3i1a n PRO 1319Ca 0.09 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 62.00 3i1a n PRO 1319Cb 0.53 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 3i1a n PRO 1319CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3i1a n ASN 1320N 2.06 -5.30 -1.62 2.55 4.05 -1.26 -4.98 115.26 110.75 3i1a n ASN 1320Ca 0.12 0.44 0.00 0.00 0.45 0.00 0.00 54.58 55.59 3i1a n ASN 1320Cb 0.30 -4.67 0.00 0.00 1.23 0.00 0.00 39.78 36.63 3i1a n ASN 1320CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3i1a n ASN 1321N -1.35 0.00 -0.03 1.20 2.85 -0.45 -4.80 115.26 112.68 3i1a n ASN 1321Ca -0.20 -0.65 0.04 0.00 -0.11 0.00 0.00 54.58 53.65 3i1a n ASN 1321Cb 0.66 0.00 0.40 0.00 1.24 0.00 0.00 39.78 42.08 3i1a n ASN 1321CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 3i1a h VAL 1322N -0.19 1.11 0.09 3.44 -1.51 -1.69 -2.31 116.25 115.19 3i1a h VAL 1322Ca 0.00 -0.21 -0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3i1a h VAL 1322Cb 0.00 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 29.61 3i1a h VAL 1322CO 0.00 0.11 -0.04 0.58 -1.23 0.00 0.00 177.57 176.99 3i1a h VAL 1323N 0.61 1.12 -0.40 7.19 2.07 -1.79 -0.07 116.25 124.98 3i1a h VAL 1323Ca 0.17 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3i1a h VAL 1323Cb -0.06 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3i1a h VAL 1323CO -0.04 0.20 0.26 -0.33 0.02 0.00 0.00 177.57 177.69 3i1a h GLU 1324N -0.50 0.53 -0.14 1.57 5.08 -1.76 -0.81 114.58 118.55 3i1a h GLU 1324Ca -0.01 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.12 3i1a h GLU 1324Cb 0.42 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.56 3i1a h GLU 1324CO 0.02 0.36 -0.68 0.82 -1.00 0.00 0.00 179.01 178.53 3i1a h ILE 1325N 0.55 1.31 -0.46 3.13 2.04 -1.33 -1.52 117.51 121.21 3i1a h ILE 1325Ca 0.15 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 3i1a h ILE 1325Cb -0.05 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3i1a h ILE 1325CO -0.03 0.60 0.26 0.00 0.00 0.00 0.00 178.15 178.97 3i1a h ALA 1326N 0.53 0.59 -0.47 1.87 0.00 -0.43 -0.86 119.26 120.48 3i1a h ALA 1326Ca -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3i1a h ALA 1326Cb 1.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3i1a h ALA 1326CO 0.14 0.11 0.11 0.74 0.00 0.00 0.00 179.25 180.35 3i1a h PHE 1327N 0.61 0.80 0.00 0.00 0.04 -1.16 -2.96 116.94 114.27 3i1a h PHE 1327Ca 0.16 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3i1a h PHE 1327Cb 0.05 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 3i1a h PHE 1327CO -0.02 0.73 -0.11 0.00 -0.60 0.00 0.00 178.31 178.31 3i1a h ALA 1328N 0.98 1.05 -0.59 2.45 0.00 -1.09 -2.90 119.26 119.16 3i1a h ALA 1328Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i1a h ALA 1328Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i1a h ALA 1328CO 0.00 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.63 3i1a n THR 1329N -3.29 1.30 1.23 0.00 -2.24 -0.34 -5.07 114.28 105.86 3i1a n THR 1329Ca -0.00 -1.10 0.10 0.00 -2.27 0.00 0.00 64.05 60.77 3i1a n THR 1329Cb 0.33 0.36 0.58 0.00 -2.10 0.00 0.00 70.33 69.50 3i1a n THR 1329CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71