#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs h ASP 1005N 0.00 0.00 -3.79 -3.46 3.32 -0.95 -3.47 116.42 108.07 1rxs h ASP 1005Ca 0.00 -0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.45 1rxs h ASP 1005Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1rxs h ASP 1005CO 0.00 0.01 -0.82 0.68 -1.72 0.00 0.00 179.24 177.38 1rxs s VAL 1006N -3.34 1.96 0.19 -1.35 -7.23 -1.21 -5.05 120.40 104.37 1rxs s VAL 1006Ca 0.01 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1rxs s VAL 1006Cb 0.09 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.16 1rxs s VAL 1006CO 0.77 -0.11 1.50 0.15 -0.31 0.00 0.00 175.10 177.11 1rxs h PHE 1007N 3.67 0.63 0.00 2.82 3.57 -1.94 -3.34 116.94 122.34 1rxs h PHE 1007Ca -0.46 -0.23 -0.33 0.00 3.53 0.00 0.00 57.97 60.47 1rxs h PHE 1007Cb 1.19 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 1rxs h PHE 1007CO 0.64 0.96 -2.19 0.72 -2.23 0.00 0.00 178.31 176.21 1rxs n HIS 1008N -3.93 0.00 0.26 0.41 8.25 -1.26 -4.63 115.22 114.32 1rxs n HIS 1008Ca -0.03 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.57 1rxs n HIS 1008Cb 0.62 -0.78 0.65 0.00 1.12 0.00 0.00 29.99 31.60 1rxs n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxs h LEU 1009N -0.34 0.00 -1.74 2.41 3.38 -1.92 -3.45 115.31 113.65 1rxs h LEU 1009Ca -0.50 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.14 1rxs h LEU 1009Cb 1.61 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.52 1rxs h LEU 1009CO -0.19 0.10 -0.78 0.61 0.09 0.00 0.00 178.44 178.27 1rxs n GLY 1010N -0.15 -0.43 3.32 0.83 0.00 -1.25 -4.65 105.19 102.86 1rxs n GLY 1010Ca -0.00 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1rxs n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 1011N -6.30 2.54 0.17 0.99 1.43 -1.26 -4.78 118.68 111.46 1rxs s LEU 1011Ca 0.04 -1.03 0.11 0.00 -1.03 0.00 0.00 54.13 52.22 1rxs s LEU 1011Cb -0.01 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 1rxs s LEU 1011CO 0.74 -0.23 -0.24 0.42 0.23 0.00 0.00 176.35 177.27 1rxs s THR 1012N -3.08 2.37 0.37 5.49 -4.23 -1.26 -0.18 115.64 115.12 1rxs s THR 1012Ca 0.21 -1.93 0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1rxs s THR 1012Cb 0.00 -2.11 0.36 0.00 1.34 0.00 0.00 72.50 72.10 1rxs s THR 1012CO 0.05 -0.05 1.79 0.50 -0.54 0.00 0.00 174.62 176.37 1rxs h LYS 1013N 3.40 0.48 -0.92 3.99 3.64 -1.96 -0.27 116.57 124.93 1rxs h LYS 1013Ca -0.48 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1rxs h LYS 1013Cb 1.20 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1rxs h LYS 1013CO 0.46 0.32 0.60 -0.97 -2.27 0.00 0.00 179.45 177.58 1rxs h ASN 1014N 0.50 1.00 -0.24 4.20 -0.73 -1.95 -2.82 115.58 115.54 1rxs h ASN 1014Ca 0.57 -0.01 0.07 0.00 1.87 0.00 0.00 56.30 58.80 1rxs h ASN 1014Cb 1.27 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.62 1rxs h ASN 1014CO -0.30 0.69 0.20 0.44 -0.37 0.00 0.00 177.43 178.09 1rxs h ASP 1015N 1.16 0.00 1.71 1.15 3.32 -1.44 -1.94 116.42 120.38 1rxs h ASP 1015Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1rxs h ASP 1015Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1rxs h ASP 1015CO -0.11 0.00 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.14 1rxs h LEU 1016N 0.00 0.00 -0.61 1.55 4.07 -1.57 -3.48 115.31 115.28 1rxs h LEU 1016Ca 0.11 -0.01 -0.48 0.00 0.08 0.00 0.00 57.88 57.59 1rxs h LEU 1016Cb 0.51 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.14 1rxs h LEU 1016CO -0.00 0.00 -0.73 0.00 -1.08 0.00 0.00 178.44 176.63 1rxs n GLN 1017N -2.88 -4.12 -0.88 1.13 6.02 -0.73 -1.26 117.38 114.66 1rxs n GLN 1017Ca 0.04 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1rxs n GLN 1017Cb 0.52 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.50 1rxs n GLN 1017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 1018N -1.45 0.50 3.75 1.08 0.00 -1.26 -4.79 105.19 103.02 1rxs n GLY 1018Ca 0.04 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1rxs n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs n ALA 1019N 0.65 1.82 -0.55 4.61 0.00 -0.39 -4.93 120.51 121.72 1rxs n ALA 1019Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1rxs n ALA 1019Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1rxs n ALA 1019CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxs n THR 1020N -0.39 0.02 -4.95 0.00 -2.24 -1.26 -4.33 114.28 101.13 1rxs n THR 1020Ca 0.06 -0.23 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 1rxs n THR 1020Cb 0.42 1.52 -0.16 0.00 -2.10 0.00 0.00 70.33 70.00 1rxs n THR 1020CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxs s LEU 1021N -0.02 1.98 -0.05 3.22 0.20 -1.26 0.25 118.68 123.00 1rxs s LEU 1021Ca 0.00 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.46 1rxs s LEU 1021Cb 0.00 -1.06 0.01 0.00 -0.43 0.00 0.00 46.19 44.71 1rxs s LEU 1021CO 0.00 0.19 -0.11 0.00 -0.29 0.00 0.00 176.35 176.15 1rxs s ALA 1022N -0.13 1.09 -0.16 5.97 0.00 0.00 -1.92 121.76 126.60 1rxs s ALA 1022Ca -0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 1rxs s ALA 1022Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1rxs s ALA 1022CO 0.02 0.12 0.52 0.42 0.00 0.00 0.00 175.76 176.83 1rxs s ILE 1023N 0.53 5.13 -0.49 0.00 1.01 0.27 -0.67 121.20 126.98 1rxs s ILE 1023Ca -0.10 0.99 0.03 0.00 0.00 0.00 0.00 60.65 61.57 1rxs s ILE 1023Cb -0.13 -3.85 0.13 0.00 0.01 0.00 0.00 42.46 38.62 1rxs s ILE 1023CO 0.02 0.23 0.25 0.68 0.00 0.00 0.00 174.94 176.12 1rxs s VAL 1024N 1.25 2.08 0.84 2.92 -7.23 0.10 -1.30 120.40 119.06 1rxs s VAL 1024Ca 0.26 -3.00 -0.12 0.00 -1.81 0.00 0.00 61.98 57.31 1rxs s VAL 1024Cb -0.15 -2.45 0.10 0.00 0.56 0.00 0.00 36.38 34.44 1rxs s VAL 1024CO 0.10 -0.84 1.17 -2.16 -0.31 0.00 0.00 175.10 173.06 1rxs s PRO 1025N -0.02 1.72 -0.04 4.82 0.04 -1.23 -3.48 135.00 136.81 1rxs s PRO 1025Ca 0.17 0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.24 1rxs s PRO 1025Cb -0.25 -1.92 -0.31 0.00 0.04 0.00 0.00 34.50 32.06 1rxs s PRO 1025CO 0.00 -1.77 0.70 0.78 0.04 0.00 0.00 177.00 176.75 1rxs h GLY 1026N -1.18 0.47 -7.10 0.56 0.00 -1.84 -1.17 103.07 92.81 1rxs h GLY 1026Ca -0.47 -1.21 -0.63 0.00 0.00 0.00 0.00 47.33 45.03 1rxs h GLY 1026CO 0.64 1.06 -0.13 -0.35 0.00 0.00 0.00 176.54 177.75 1rxs s ASP 1027N -7.33 6.33 0.40 0.19 3.68 -1.26 -1.01 116.67 117.67 1rxs s ASP 1027Ca -0.15 0.34 0.19 0.00 2.13 0.00 0.00 52.55 55.05 1rxs s ASP 1027Cb 0.05 -2.24 1.11 0.00 -1.45 0.00 0.00 42.92 40.39 1rxs s ASP 1027CO 0.86 -0.25 1.78 1.55 0.13 0.00 0.00 175.17 179.24 1rxs h PRO 1028N 8.15 0.38 0.00 4.34 0.13 -1.90 -0.64 132.00 142.46 1rxs h PRO 1028Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1rxs h PRO 1028Cb 1.15 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1rxs h PRO 1028CO 0.68 0.25 0.00 -0.44 -0.23 0.00 0.00 178.00 178.26 1rxs h ASP 1029N 0.39 0.00 0.58 1.44 3.32 -1.95 -2.73 116.42 117.46 1rxs h ASP 1029Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1rxs h ASP 1029Cb 1.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.04 1rxs h ASP 1029CO -0.27 0.00 -0.54 -1.14 -1.72 0.00 0.00 179.24 175.57 1rxs n ARG 1030N -2.72 0.07 0.06 3.56 0.63 -0.25 -4.36 116.66 113.66 1rxs n ARG 1030Ca 0.02 0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.83 1rxs n ARG 1030Cb 0.30 -1.54 -0.08 0.00 0.45 0.00 0.00 32.46 31.59 1rxs n ARG 1030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1rxs h VAL 1031N 0.00 1.03 -0.95 5.15 2.07 -1.48 -2.56 116.25 119.51 1rxs h VAL 1031Ca 0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1rxs h VAL 1031Cb 0.56 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1rxs h VAL 1031CO 0.00 0.10 0.58 -0.08 0.02 0.00 0.00 177.57 178.18 1rxs h GLU 1032N -0.28 1.29 -0.76 1.57 4.81 -1.76 -1.26 114.58 118.19 1rxs h GLU 1032Ca -0.01 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1rxs h GLU 1032Cb 0.24 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1rxs h GLU 1032CO 0.02 0.90 0.47 0.87 -0.73 0.00 0.00 179.01 180.54 1rxs h LYS 1033N 1.32 0.85 -0.00 1.92 1.57 -1.74 -1.06 116.57 119.42 1rxs h LYS 1033Ca 0.34 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1rxs h LYS 1033Cb -0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1rxs h LYS 1033CO -0.06 0.56 -0.00 0.82 -0.57 0.00 0.00 179.45 180.20 1rxs h ILE 1034N 0.88 1.37 -0.96 1.86 2.04 -1.02 -3.14 117.51 118.53 1rxs h ILE 1034Ca 0.32 -1.09 0.14 0.00 1.00 0.00 0.00 64.86 65.24 1rxs h ILE 1034Cb 0.11 2.10 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1rxs h ILE 1034CO -0.15 0.28 0.61 0.00 0.00 0.00 0.00 178.15 178.89 1rxs h ALA 1035N 0.54 1.68 0.00 1.87 0.00 -1.10 -1.36 119.26 120.89 1rxs h ALA 1035Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rxs h ALA 1035Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1rxs h ALA 1035CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1rxs h ALA 1036N 1.58 1.00 -0.00 0.00 0.00 -1.14 -0.43 119.26 120.26 1rxs h ALA 1036Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1rxs h ALA 1036Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rxs h ALA 1036CO -0.26 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.23 1rxs n LEU 1037N -2.50 0.18 0.00 0.00 4.32 -0.51 -4.86 117.00 113.63 1rxs n LEU 1037Ca -0.01 0.13 -0.33 0.00 -0.02 0.00 0.00 56.01 55.79 1rxs n LEU 1037Cb 0.11 -0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 41.65 1rxs n LEU 1037CO 0.16 0.03 -0.20 0.23 -1.22 0.00 0.00 177.39 176.39 1rxs n MET 1038N -1.11 0.72 -3.23 3.23 2.81 -0.17 -5.13 117.12 114.24 1rxs n MET 1038Ca 0.16 -3.77 -0.32 0.00 -1.81 0.00 0.00 57.70 51.95 1rxs n MET 1038Cb 0.23 0.92 -0.06 0.00 -0.71 0.00 0.00 33.22 33.60 1rxs n MET 1038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxs s ASP 1039N -3.95 6.72 -1.33 7.83 -0.00 -0.31 -4.50 116.67 121.13 1rxs s ASP 1039Ca 0.05 1.15 -0.08 0.00 -0.00 0.00 0.00 52.55 53.67 1rxs s ASP 1039Cb -0.00 -2.32 0.00 0.00 -0.00 0.00 0.00 42.92 40.60 1rxs s ASP 1039CO 0.03 -0.16 0.52 0.29 -0.00 0.00 0.00 175.17 175.85 1rxs n LYS 1040N -0.30 -2.45 -2.22 8.23 5.02 -1.26 0.05 118.16 125.22 1rxs n LYS 1040Ca 0.02 0.38 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 1rxs n LYS 1040Cb 0.53 -4.24 -0.03 0.00 -0.02 0.00 0.00 35.03 31.27 1rxs n LYS 1040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rxs s PRO 1041N -6.50 4.35 -0.04 1.97 0.04 -1.26 -4.45 135.00 129.11 1rxs s PRO 1041Ca 0.16 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.23 1rxs s PRO 1041Cb -0.06 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.24 1rxs s PRO 1041CO 0.89 -0.38 -0.03 0.08 0.04 0.00 0.00 177.00 177.60 1rxs s VAL 1042N 0.95 0.41 0.05 -0.36 1.01 0.37 -5.00 120.40 117.83 1rxs s VAL 1042Ca 0.62 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.25 1rxs s VAL 1042Cb -0.36 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.51 1rxs s VAL 1042CO 0.31 0.20 1.35 -0.75 0.00 0.00 0.00 175.10 176.21 1rxs s LYS 1043N 0.94 4.32 -0.24 2.72 2.20 -1.26 -0.94 119.74 127.48 1rxs s LYS 1043Ca -0.11 1.96 -0.17 0.00 -0.36 0.00 0.00 55.97 57.29 1rxs s LYS 1043Cb -0.14 -3.43 -0.14 0.00 -1.51 0.00 0.00 37.83 32.61 1rxs s LYS 1043CO -0.00 -0.47 -0.13 1.28 -0.36 0.00 0.00 175.35 175.66 1rxs n LEU 1044N 4.65 1.91 -3.55 5.43 4.77 0.51 -4.92 117.00 125.82 1rxs n LEU 1044Ca 0.12 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.39 1rxs n LEU 1044Cb 0.44 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1rxs n LEU 1044CO 0.58 0.38 0.55 0.00 -1.33 0.00 0.00 177.39 177.57 1rxs s ALA 1045N -2.48 -1.64 -0.26 -1.18 0.00 -1.03 -5.01 121.76 110.17 1rxs s ALA 1045Ca -0.34 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1rxs s ALA 1045Cb 0.10 0.69 0.14 0.00 0.00 0.00 0.00 23.12 24.06 1rxs s ALA 1045CO 0.52 -0.81 0.42 0.45 0.00 0.00 0.00 175.76 176.33 1rxs s SER 1046N -2.70 -0.04 -0.05 0.00 0.15 -1.26 -0.75 113.70 109.05 1rxs s SER 1046Ca 0.05 0.31 -0.03 0.00 0.70 0.00 0.00 55.95 56.99 1rxs s SER 1046Cb -0.02 1.30 0.03 0.00 -1.71 0.00 0.00 66.02 65.62 1rxs s SER 1046CO -0.07 -0.30 0.12 -1.00 1.20 0.00 0.00 173.24 173.19 1rxs s HIS 1047N 2.60 -0.13 0.00 3.44 3.76 -0.24 -5.00 115.29 119.73 1rxs s HIS 1047Ca 0.14 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 1rxs s HIS 1047Cb -0.15 -0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.46 1rxs s HIS 1047CO -0.17 -0.13 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 1rxs n ARG 1048N 3.92 0.00 -0.02 1.40 1.74 -1.26 -0.16 116.66 122.28 1rxs n ARG 1048Ca -0.23 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.96 1rxs n ARG 1048Cb 0.53 0.00 0.57 0.00 -1.02 0.00 0.00 32.46 32.55 1rxs n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxs n GLU 1049N 14.00 1.26 -3.30 5.56 0.00 -1.26 -4.75 120.64 132.16 1rxs n GLU 1049Ca 0.00 -0.39 -0.46 0.00 0.00 0.00 0.00 57.16 56.31 1rxs n GLU 1049Cb 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 31.44 30.01 1rxs n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxs s PHE 1050N -1.95 3.22 -0.15 -1.84 0.40 0.78 -4.10 117.98 114.34 1rxs s PHE 1050Ca 0.34 -1.21 -0.04 0.00 -0.60 0.00 0.00 56.93 55.42 1rxs s PHE 1050Cb 0.17 -3.75 -0.03 0.00 0.51 0.00 0.00 43.02 39.92 1rxs s PHE 1050CO 0.27 -1.02 -0.02 0.99 0.70 0.00 0.00 175.22 176.13 1rxs s THR 1051N 1.73 4.07 -0.11 0.64 2.01 -1.26 -1.08 115.64 121.65 1rxs s THR 1051Ca 0.04 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1rxs s THR 1051Cb -0.29 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1rxs s THR 1051CO 0.04 0.50 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.44 1rxs s THR 1052N 0.23 1.37 0.14 -0.82 2.01 0.07 -1.52 115.64 117.12 1rxs s THR 1052Ca -0.01 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.52 1rxs s THR 1052Cb -0.14 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1rxs s THR 1052CO 0.02 0.42 -0.16 0.26 -0.69 0.00 0.00 174.62 174.47 1rxs s TRP 1053N 1.08 2.54 -0.03 4.92 0.52 0.73 -0.36 118.94 128.35 1rxs s TRP 1053Ca -0.05 -0.26 0.02 0.00 0.02 0.00 0.00 56.10 55.83 1rxs s TRP 1053Cb -0.15 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 30.84 1rxs s TRP 1053CO -0.02 0.44 -0.07 0.50 0.02 0.00 0.00 176.95 177.81 1rxs s ARG 1054N -2.40 2.63 0.00 4.98 3.52 -0.11 -0.43 118.95 127.14 1rxs s ARG 1054Ca 0.20 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1rxs s ARG 1054Cb -0.10 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1rxs s ARG 1054CO 0.12 0.63 0.00 0.00 -0.81 0.00 0.00 175.30 175.24 1rxs n ALA 1055N 1.86 0.00 -2.95 6.12 0.00 0.10 -0.48 120.51 125.16 1rxs n ALA 1055Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1rxs n ALA 1055Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1rxs n ALA 1055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxs s GLU 1056N -1.38 0.41 -0.08 0.00 2.12 0.11 -0.77 118.70 119.11 1rxs s GLU 1056Ca 0.00 -0.14 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 1rxs s GLU 1056Cb 0.00 -0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.00 1rxs s GLU 1056CO 0.00 0.06 0.02 -1.17 -0.54 0.00 0.00 175.26 173.63 1rxs s LEU 1057N 0.10 0.53 -1.51 2.70 2.96 0.51 -1.16 118.68 122.82 1rxs s LEU 1057Ca -0.01 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1rxs s LEU 1057Cb -0.04 -0.38 0.02 0.00 0.50 0.00 0.00 46.19 46.29 1rxs s LEU 1057CO -0.00 -0.23 0.29 0.47 -1.32 0.00 0.00 176.35 175.56 1rxs n ASP 1058N 5.18 -0.12 -0.10 3.68 8.00 -1.26 -1.14 116.55 130.79 1rxs n ASP 1058Ca -0.06 -1.12 -0.01 0.00 0.71 0.00 0.00 54.79 54.30 1rxs n ASP 1058Cb 0.50 -2.40 -0.01 0.00 -0.02 0.00 0.00 41.12 39.19 1rxs n ASP 1058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxs n GLY 1059N -2.13 0.34 3.44 0.44 0.00 -1.26 -5.00 105.19 101.01 1rxs n GLY 1059Ca -0.27 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1rxs n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxs s LYS 1060N -1.31 2.83 0.31 1.61 1.02 -0.29 -5.09 119.74 118.83 1rxs s LYS 1060Ca 0.00 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 1rxs s LYS 1060Cb 0.00 -2.47 -0.10 0.00 -0.52 0.00 0.00 37.83 34.74 1rxs s LYS 1060CO 0.00 0.47 1.27 -1.25 -0.92 0.00 0.00 175.35 174.92 1rxs s PRO 1061N -0.33 4.41 0.01 -1.68 0.04 -1.26 -0.37 135.00 135.82 1rxs s PRO 1061Ca 0.03 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1rxs s PRO 1061Cb -0.13 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1rxs s PRO 1061CO 0.02 -0.12 -0.04 0.08 0.04 0.00 0.00 177.00 176.98 1rxs s VAL 1062N -1.03 0.32 -0.11 -0.36 1.01 0.05 -4.42 120.40 115.86 1rxs s VAL 1062Ca 0.49 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1rxs s VAL 1062Cb -0.38 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1rxs s VAL 1062CO 0.49 -0.11 0.11 -0.63 0.00 0.00 0.00 175.10 174.97 1rxs s ILE 1063N -0.57 5.29 -0.16 2.22 -1.09 -0.81 -0.72 121.20 125.35 1rxs s ILE 1063Ca -0.04 0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.52 1rxs s ILE 1063Cb -0.05 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.56 1rxs s ILE 1063CO -0.00 0.62 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.43 1rxs s VAL 1064N -0.99 2.12 -0.04 2.92 1.01 0.43 -0.56 120.40 125.29 1rxs s VAL 1064Ca 0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1rxs s VAL 1064Cb -0.12 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1rxs s VAL 1064CO 0.04 0.54 0.08 0.00 0.00 0.00 0.00 175.10 175.75 1rxs s SER 1066N 1.32 7.18 0.01 0.00 1.04 -0.58 -3.50 113.70 119.18 1rxs s SER 1066Ca -0.07 1.66 0.22 0.00 0.48 0.00 0.00 55.95 58.24 1rxs s SER 1066Cb -0.12 -2.51 -0.25 0.00 0.10 0.00 0.00 66.02 63.23 1rxs s SER 1066CO -0.04 -0.07 0.58 0.35 0.98 0.00 0.00 173.24 175.04 1rxs n THR 1067N 0.45 0.29 -2.82 2.02 -2.24 -0.44 -4.36 114.28 107.18 1rxs n THR 1067Ca 0.01 -0.55 0.01 0.00 -2.27 0.00 0.00 64.05 61.25 1rxs n THR 1067Cb 0.51 -0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1rxs n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxs n GLY 1068N 1.29 -2.03 3.71 3.38 0.00 -0.18 -3.24 105.19 108.11 1rxs n GLY 1068Ca -0.06 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 1rxs n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 1069N -0.40 5.08 0.00 -0.61 1.01 -1.26 -4.70 121.20 120.32 1rxs s ILE 1069Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1rxs s ILE 1069Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1rxs s ILE 1069CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1rxs n GLY 1070N 3.28 2.43 0.33 6.18 0.00 -1.26 -4.60 105.19 111.55 1rxs n GLY 1070Ca -0.03 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1rxs n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxs h GLY 1071N 0.00 -0.30 0.28 -0.02 0.00 -1.86 -1.74 103.07 99.42 1rxs h GLY 1071Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.77 1rxs h GLY 1071CO 0.00 -0.21 -0.26 -2.55 0.00 0.00 0.00 176.54 173.52 1rxs h PRO 1072N -0.30 -0.33 -0.11 4.80 0.11 -1.94 0.42 132.00 134.65 1rxs h PRO 1072Ca 0.14 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 1rxs h PRO 1072Cb 0.53 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1rxs h PRO 1072CO -0.45 -0.22 -0.56 0.66 -0.21 0.00 0.00 178.00 177.22 1rxs h SER 1073N -0.34 0.37 -0.55 -2.05 4.64 -1.79 -2.25 113.55 111.58 1rxs h SER 1073Ca 0.09 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1rxs h SER 1073Cb 0.48 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 1rxs h SER 1073CO -0.31 0.85 0.27 0.74 -0.87 0.00 0.00 176.83 177.52 1rxs h THR 1074N 0.25 0.93 -0.25 2.95 2.02 -0.71 -1.86 112.91 116.25 1rxs h THR 1074Ca 0.00 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1rxs h THR 1074Cb 1.06 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1rxs h THR 1074CO 0.09 0.09 0.11 0.77 0.37 0.00 0.00 175.52 176.96 1rxs h SER 1075N 0.52 0.30 -0.00 4.18 4.64 0.39 -0.38 113.55 123.19 1rxs h SER 1075Ca 0.25 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1rxs h SER 1075Cb 0.17 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1rxs h SER 1075CO -0.18 0.27 -0.00 0.40 -0.87 0.00 0.00 176.83 176.44 1rxs h ILE 1076N 0.34 1.40 -0.25 0.95 2.04 -0.95 -2.40 117.51 118.64 1rxs h ILE 1076Ca 0.09 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.83 1rxs h ILE 1076Cb 0.05 2.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 1rxs h ILE 1076CO -0.01 0.31 -0.06 0.00 0.00 0.00 0.00 178.15 178.39 1rxs h ALA 1077N 0.51 0.17 -0.16 1.87 0.00 -1.00 -1.59 119.26 119.05 1rxs h ALA 1077Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rxs h ALA 1077Cb 0.50 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1rxs h ALA 1077CO 0.00 -0.47 0.06 0.28 0.00 0.00 0.00 179.25 179.12 1rxs h VAL 1078N 0.00 1.16 -0.23 0.00 2.07 -1.14 -0.22 116.25 117.89 1rxs h VAL 1078Ca 0.12 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1rxs h VAL 1078Cb 0.18 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1rxs h VAL 1078CO -0.25 0.15 0.08 -0.08 0.02 0.00 0.00 177.57 177.50 1rxs h GLU 1079N 0.10 0.19 -0.12 1.57 4.57 -1.36 0.49 114.58 120.02 1rxs h GLU 1079Ca 0.05 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.04 1rxs h GLU 1079Cb 0.19 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1rxs h GLU 1079CO -0.00 0.13 -0.69 0.93 -1.18 0.00 0.00 179.01 178.19 1rxs h GLU 1080N 0.20 0.51 -0.91 1.92 5.08 -1.21 -0.91 114.58 119.26 1rxs h GLU 1080Ca 0.10 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1rxs h GLU 1080Cb 0.06 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1rxs h GLU 1080CO -0.10 1.02 0.50 -0.07 -1.00 0.00 0.00 179.01 179.36 1rxs h LEU 1081N 0.36 1.13 -0.83 1.33 3.38 -0.89 -2.24 115.31 117.55 1rxs h LEU 1081Ca -0.02 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1rxs h LEU 1081Cb 1.26 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1rxs h LEU 1081CO 0.13 0.90 0.26 0.00 0.09 0.00 0.00 178.44 179.81 1rxs h ALA 1082N 1.28 1.06 -0.64 1.53 0.00 -0.44 -1.05 119.26 121.01 1rxs h ALA 1082Ca 0.32 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1rxs h ALA 1082Cb 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1rxs h ALA 1082CO -0.05 0.65 0.42 1.96 0.00 0.00 0.00 179.25 182.22 1rxs h GLN 1083N 1.08 0.73 -0.01 0.00 4.20 -0.77 -2.01 115.11 118.33 1rxs h GLN 1083Ca 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1rxs h GLN 1083Cb 0.26 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1rxs h GLN 1083CO -0.01 0.48 -0.15 1.28 -0.67 0.00 0.00 178.83 179.76 1rxs n LEU 1084N -4.46 0.69 0.00 1.46 4.77 -0.54 -4.91 117.00 114.02 1rxs n LEU 1084Ca 0.08 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1rxs n LEU 1084Cb 0.13 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1rxs n LEU 1084CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1rxs n GLY 1085N 1.29 0.99 3.72 -0.72 0.00 -0.72 -4.82 105.19 104.94 1rxs n GLY 1085Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1rxs n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 1086N -1.84 3.20 -0.01 -0.61 -1.09 -0.51 -4.49 121.20 115.85 1rxs s ILE 1086Ca 0.00 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 1rxs s ILE 1086Cb 0.00 -3.58 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1rxs s ILE 1086CO 0.00 0.10 0.01 0.54 -1.23 0.00 0.00 174.94 174.36 1rxs n ARG 1087N 3.41 5.95 -4.37 2.79 5.12 0.14 -4.24 116.66 125.47 1rxs n ARG 1087Ca 0.10 -0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.79 1rxs n ARG 1087Cb 0.42 -0.58 -0.16 0.00 -1.16 0.00 0.00 32.46 30.97 1rxs n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxs s THR 1088N -1.17 0.81 -0.14 0.55 2.01 -0.75 -1.39 115.64 115.56 1rxs s THR 1088Ca 0.00 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1rxs s THR 1088Cb 0.00 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.75 1rxs s THR 1088CO 0.01 0.28 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.71 1rxs s PHE 1089N 0.78 2.25 -0.24 4.92 0.08 0.17 -0.82 117.98 125.11 1rxs s PHE 1089Ca -0.13 -1.22 -0.04 0.00 0.12 0.00 0.00 56.93 55.66 1rxs s PHE 1089Cb -0.15 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1rxs s PHE 1089CO 0.02 -0.64 -0.02 -0.51 -0.10 0.00 0.00 175.22 173.97 1rxs s LEU 1090N 1.28 3.19 -0.09 -0.37 1.43 0.15 -1.26 118.68 123.01 1rxs s LEU 1090Ca 0.01 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 1rxs s LEU 1090Cb -0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1rxs s LEU 1090CO -0.08 -0.09 0.50 -0.60 0.23 0.00 0.00 176.35 176.31 1rxs s ARG 1091N 1.43 4.31 -0.14 1.70 3.52 -0.39 0.02 118.95 129.40 1rxs s ARG 1091Ca 0.03 0.50 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 1rxs s ARG 1091Cb -0.16 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1rxs s ARG 1091CO -0.02 0.22 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.97 1rxs s ILE 1092N 0.40 2.04 0.32 4.11 1.10 -1.23 -1.19 121.20 126.76 1rxs s ILE 1092Ca 0.27 -0.97 0.06 0.00 -0.51 0.00 0.00 60.65 59.51 1rxs s ILE 1092Cb -0.16 -1.81 -0.03 0.00 0.15 0.00 0.00 42.46 40.61 1rxs s ILE 1092CO 0.12 0.55 0.26 -0.83 -2.11 0.00 0.00 174.94 172.92 1rxs s GLY 1093N 0.85 2.27 0.11 1.50 0.00 -0.36 -4.06 107.32 107.61 1rxs s GLY 1093Ca -0.06 -2.00 0.07 0.00 0.00 0.00 0.00 44.72 42.73 1rxs s GLY 1093CO -0.03 -1.49 -0.08 -0.51 0.00 0.00 0.00 173.10 171.00 1rxs s THR 1094N -3.50 3.47 0.16 0.90 -4.23 -1.26 -1.71 115.64 109.46 1rxs s THR 1094Ca 0.40 -1.25 -0.12 0.00 -1.18 0.00 0.00 61.69 59.54 1rxs s THR 1094Cb 0.03 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1rxs s THR 1094CO 0.25 0.09 0.34 0.28 -0.54 0.00 0.00 174.62 175.05 1rxs s THR 1095N -1.27 0.07 -0.21 3.99 -1.32 -0.66 -4.89 115.64 111.35 1rxs s THR 1095Ca 0.22 -1.13 -0.02 0.00 -1.21 0.00 0.00 61.69 59.56 1rxs s THR 1095Cb -0.11 -1.64 0.00 0.00 -1.51 0.00 0.00 72.50 69.24 1rxs s THR 1095CO 0.15 -0.30 -0.09 -0.83 -2.21 0.00 0.00 174.62 171.33 1rxs s GLY 1096N -2.91 1.54 0.54 6.08 0.00 -1.24 -1.24 107.32 110.09 1rxs s GLY 1096Ca 0.12 -1.21 -0.19 0.00 0.00 0.00 0.00 44.72 43.45 1rxs s GLY 1096CO -0.03 0.39 1.09 0.00 0.00 0.00 0.00 173.10 174.54 1rxs s ALA 1097N 1.41 2.74 -0.06 3.20 0.00 -0.44 -2.25 121.76 126.36 1rxs s ALA 1097Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1rxs s ALA 1097Cb -0.14 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1rxs s ALA 1097CO -0.06 -0.65 0.64 0.44 0.00 0.00 0.00 175.76 176.12 1rxs n ILE 1098N -1.36 0.24 -3.88 0.00 -5.35 0.04 -1.02 119.36 108.04 1rxs n ILE 1098Ca 0.10 -0.62 -0.35 0.00 -0.27 0.00 0.00 62.75 61.61 1rxs n ILE 1098Cb 0.52 0.89 -0.08 0.00 -1.74 0.00 0.00 39.64 39.22 1rxs n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxs s GLN 1099N -0.27 3.86 0.58 6.28 -1.52 -1.24 -4.78 119.66 122.58 1rxs s GLN 1099Ca 0.01 -0.24 0.38 0.00 -1.95 0.00 0.00 55.36 53.56 1rxs s GLN 1099Cb 0.00 -3.27 1.86 0.00 -0.22 0.00 0.00 33.01 31.38 1rxs s GLN 1099CO 0.01 0.45 2.14 -1.00 -0.25 0.00 0.00 175.29 176.63 1rxs h PRO 1100N 6.13 0.00 0.00 2.91 0.13 -1.96 -2.40 132.00 136.81 1rxs h PRO 1100Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1rxs h PRO 1100Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1rxs h PRO 1100CO 0.69 0.00 -0.28 -2.39 -0.23 0.00 0.00 178.00 175.78 1rxs n HIS 1101N -2.98 0.25 -3.28 1.56 1.44 -1.26 -4.81 115.22 106.13 1rxs n HIS 1101Ca -0.01 0.07 -0.39 0.00 -2.01 0.00 0.00 57.72 55.38 1rxs n HIS 1101Cb 0.17 -0.51 -0.06 0.00 0.12 0.00 0.00 29.99 29.70 1rxs n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxs s ILE 1102N -3.05 5.15 0.18 0.61 1.01 -0.91 -5.07 121.20 119.12 1rxs s ILE 1102Ca 0.11 0.94 0.05 0.00 0.00 0.00 0.00 60.65 61.75 1rxs s ILE 1102Cb 0.16 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1rxs s ILE 1102CO 0.63 0.24 0.17 0.20 0.00 0.00 0.00 174.94 176.19 1rxs s ASN 1103N 0.94 5.67 0.05 3.58 0.02 -1.26 -4.89 114.94 119.04 1rxs s ASN 1103Ca 0.24 -0.10 -0.33 0.00 -1.02 0.00 0.00 52.86 51.66 1rxs s ASN 1103Cb -0.15 -1.52 -0.12 0.00 0.02 0.00 0.00 41.25 39.48 1rxs s ASN 1103CO 0.10 0.05 1.81 0.52 0.02 0.00 0.00 177.10 179.59 1rxs n VAL 1104N -0.54 0.40 0.00 1.60 0.31 -1.26 -1.06 118.33 117.78 1rxs n VAL 1104Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1rxs n VAL 1104Cb 0.55 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1rxs n VAL 1104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxs n GLY 1105N 4.14 2.36 3.78 2.92 0.00 -0.71 -5.01 105.19 112.67 1rxs n GLY 1105Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1rxs n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxs s ASP 1106N -1.14 4.72 -0.12 1.61 -0.00 -0.23 -4.79 116.67 116.72 1rxs s ASP 1106Ca 0.00 1.79 0.01 0.00 -0.00 0.00 0.00 52.55 54.34 1rxs s ASP 1106Cb 0.00 -2.52 -0.02 0.00 -0.00 0.00 0.00 42.92 40.39 1rxs s ASP 1106CO 0.00 -1.89 -0.14 -0.69 -0.00 0.00 0.00 175.17 172.45 1rxs s VAL 1107N -2.90 3.01 -0.17 -1.27 1.01 -0.49 -1.79 120.40 117.80 1rxs s VAL 1107Ca 0.61 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1rxs s VAL 1107Cb -0.17 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1rxs s VAL 1107CO 0.55 0.53 -0.08 -0.76 0.00 0.00 0.00 175.10 175.34 1rxs s LEU 1108N 0.21 2.87 -0.23 3.92 1.43 0.44 -0.82 118.68 126.50 1rxs s LEU 1108Ca -0.08 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1rxs s LEU 1108Cb -0.15 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1rxs s LEU 1108CO 0.05 0.10 0.05 -0.69 0.23 0.00 0.00 176.35 176.08 1rxs s VAL 1109N 0.77 4.19 -0.25 -1.59 1.01 0.03 -1.06 120.40 123.51 1rxs s VAL 1109Ca -0.03 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 1rxs s VAL 1109Cb -0.15 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1rxs s VAL 1109CO 0.01 0.37 0.69 -0.89 0.00 0.00 0.00 175.10 175.28 1rxs s THR 1110N 1.41 4.94 0.04 3.92 2.01 -0.98 -1.61 115.64 125.38 1rxs s THR 1110Ca 0.05 1.25 -0.15 0.00 0.31 0.00 0.00 61.69 63.15 1rxs s THR 1110Cb -0.15 -3.99 -0.32 0.00 0.01 0.00 0.00 72.50 68.05 1rxs s THR 1110CO 0.03 -0.01 1.06 0.71 -0.69 0.00 0.00 174.62 175.72 1rxs h THR 1111N 5.42 1.29 -2.82 -0.82 1.35 -0.96 -3.40 112.91 112.97 1rxs h THR 1111Ca -0.26 -2.60 0.03 0.00 -0.55 0.00 0.00 66.41 63.03 1rxs h THR 1111Cb 1.11 2.87 -0.12 0.00 -1.73 0.00 0.00 68.15 70.29 1rxs h THR 1111CO 0.80 0.78 0.29 0.00 -0.25 0.00 0.00 175.52 177.14 1rxs s ALA 1112N -2.79 -1.60 -0.02 6.62 0.00 -1.25 -0.51 121.76 122.20 1rxs s ALA 1112Ca -0.09 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.43 1rxs s ALA 1112Cb 0.05 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1rxs s ALA 1112CO 0.94 -0.80 -0.23 -1.12 0.00 0.00 0.00 175.76 174.55 1rxs s SER 1113N -2.72 3.29 0.05 0.00 0.01 0.03 -1.92 113.70 112.45 1rxs s SER 1113Ca 0.04 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1rxs s SER 1113Cb -0.02 -0.45 -0.08 0.00 0.21 0.00 0.00 66.02 65.68 1rxs s SER 1113CO -0.09 0.32 1.72 -0.69 0.41 0.00 0.00 173.24 174.91 1rxs s VAL 1114N -0.67 3.04 -1.03 3.43 1.01 0.76 -4.36 120.40 122.58 1rxs s VAL 1114Ca 0.11 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 1rxs s VAL 1114Cb -0.10 -3.25 0.14 0.00 0.00 0.00 0.00 36.38 33.16 1rxs s VAL 1114CO -0.00 -0.01 1.26 -0.13 0.00 0.00 0.00 175.10 176.21 1rxs s ARG 1115N 3.11 3.76 -0.45 2.72 0.52 -1.26 -1.47 118.95 125.89 1rxs s ARG 1115Ca 0.77 -2.00 0.04 0.00 -0.52 0.00 0.00 55.73 54.02 1rxs s ARG 1115Cb -0.40 -5.00 0.63 0.00 0.52 0.00 0.00 34.95 30.70 1rxs s ARG 1115CO 0.34 -1.81 1.87 1.28 0.02 0.00 0.00 175.30 177.01 1rxs n LEU 1116N 6.43 6.53 -4.68 2.53 4.77 0.02 -4.97 117.00 127.63 1rxs n LEU 1116Ca 0.29 -3.70 -0.27 0.00 -0.03 0.00 0.00 56.01 52.30 1rxs n LEU 1116Cb 0.47 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 1rxs n LEU 1116CO 0.56 1.12 -0.23 1.51 -1.33 0.00 0.00 177.39 179.02 1rxs s ASP 1117N -1.50 4.13 -0.16 -1.43 -4.77 -1.21 -1.41 116.67 110.31 1rxs s ASP 1117Ca 0.56 -1.28 0.14 0.00 -3.30 0.00 0.00 52.55 48.67 1rxs s ASP 1117Cb 0.47 -0.34 -0.24 0.00 -1.09 0.00 0.00 42.92 41.73 1rxs s ASP 1117CO 0.09 -0.53 0.19 0.61 0.70 0.00 0.00 175.17 176.23 1rxs n GLY 1118N -1.12 -0.91 0.24 2.12 0.00 -1.26 -4.62 105.19 99.64 1rxs n GLY 1118Ca -0.04 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 1rxs n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs h ALA 1119N 0.85 0.84 -0.82 4.61 0.00 -1.98 -2.87 119.26 119.89 1rxs h ALA 1119Ca -0.48 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.09 1rxs h ALA 1119Cb 2.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 1rxs h ALA 1119CO 0.03 0.64 0.53 0.66 0.00 0.00 0.00 179.25 181.12 1rxs h SER 1120N 0.53 0.71 -0.02 0.00 4.64 -1.85 0.21 113.55 117.78 1rxs h SER 1120Ca 0.05 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1rxs h SER 1120Cb 0.87 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1rxs h SER 1120CO 0.08 0.43 0.08 -0.07 -0.87 0.00 0.00 176.83 176.48 1rxs h LEU 1121N 0.79 0.00 -0.06 5.97 3.38 -1.62 0.17 115.31 123.94 1rxs h LEU 1121Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1rxs h LEU 1121Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1rxs h LEU 1121CO -0.15 0.00 -0.06 1.41 0.09 0.00 0.00 178.44 179.74 1rxs n HIS 1122N -3.20 0.00 -0.03 1.13 8.25 0.74 -4.01 115.22 118.10 1rxs n HIS 1122Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1rxs n HIS 1122Cb 0.15 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 1rxs n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxs n PHE 1123N -1.25 0.00 -3.78 4.41 3.72 0.48 -5.07 117.46 115.97 1rxs n PHE 1123Ca 0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.40 1rxs n PHE 1123Cb 0.27 -0.21 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 1rxs n PHE 1123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxs s ALA 1124N -2.11 -0.70 1.06 4.37 0.00 -0.46 -5.01 121.76 118.91 1rxs s ALA 1124Ca -0.06 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 1rxs s ALA 1124Cb 0.02 -0.01 0.23 0.00 0.00 0.00 0.00 23.12 23.35 1rxs s ALA 1124CO 0.14 -0.23 1.06 -1.25 0.00 0.00 0.00 175.76 175.48 1rxs s PRO 1125N -1.10 -0.12 0.42 0.00 0.04 -1.26 -3.93 135.00 129.05 1rxs s PRO 1125Ca -0.12 0.87 0.08 0.00 0.04 0.00 0.00 61.00 61.87 1rxs s PRO 1125Cb -0.05 -1.65 0.88 0.00 0.04 0.00 0.00 34.50 33.72 1rxs s PRO 1125CO 0.03 -3.19 2.06 1.25 0.04 0.00 0.00 177.00 177.19 1rxs h LEU 1126N -2.24 0.45 -1.78 -3.56 5.85 -1.94 -1.88 115.31 110.21 1rxs h LEU 1126Ca -0.56 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1rxs h LEU 1126Cb 1.32 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1rxs h LEU 1126CO 0.51 0.32 0.00 1.05 -0.34 0.00 0.00 178.44 179.99 1rxs h GLU 1127N 0.53 0.00 -6.49 1.25 9.09 -2.03 -3.43 114.58 113.50 1rxs h GLU 1127Ca 0.14 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.02 1rxs h GLU 1127Cb -0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.04 1rxs h GLU 1127CO -0.03 0.00 0.47 0.12 0.05 0.00 0.00 179.01 179.62 1rxs s PHE 1128N -3.72 3.56 0.02 2.06 5.36 -0.71 -4.99 117.98 119.56 1rxs s PHE 1128Ca -0.01 1.51 -0.30 0.00 -0.96 0.00 0.00 56.93 57.16 1rxs s PHE 1128Cb 0.09 -3.28 -0.05 0.00 -0.34 0.00 0.00 43.02 39.45 1rxs s PHE 1128CO 0.38 -0.68 1.22 -1.25 -1.46 0.00 0.00 175.22 173.43 1rxs s PRO 1129N 0.75 4.39 -1.14 10.12 0.04 -1.26 -4.92 135.00 142.98 1rxs s PRO 1129Ca 0.54 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 1rxs s PRO 1129Cb -0.26 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 1rxs s PRO 1129CO 0.30 -0.35 2.05 0.00 0.04 0.00 0.00 177.00 179.04 1rxs n ALA 1130N 4.49 4.28 -2.80 8.56 0.00 -1.26 -4.79 120.51 128.98 1rxs n ALA 1130Ca 0.10 -3.59 -0.36 0.00 0.00 0.00 0.00 53.44 49.59 1rxs n ALA 1130Cb 0.46 -3.58 -0.08 0.00 0.00 0.00 0.00 19.45 16.25 1rxs n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxs s VAL 1131N 4.43 5.10 0.50 0.00 0.11 -1.26 -0.78 120.40 128.50 1rxs s VAL 1131Ca 0.53 0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.44 1rxs s VAL 1131Cb 0.13 -3.25 -0.08 0.00 -1.53 0.00 0.00 36.38 31.66 1rxs s VAL 1131CO 0.02 0.55 1.07 0.00 -3.33 0.00 0.00 175.10 173.41 1rxs s ALA 1132N -0.46 2.83 0.32 1.54 0.00 0.33 -4.68 121.76 121.65 1rxs s ALA 1132Ca 0.11 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 1rxs s ALA 1132Cb -0.12 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1rxs s ALA 1132CO 0.02 -0.45 1.57 0.34 0.00 0.00 0.00 175.76 177.23 1rxs s ASP 1133N -1.87 6.34 0.17 0.00 -1.08 -0.07 -4.92 116.67 115.24 1rxs s ASP 1133Ca 0.68 3.00 -0.11 0.00 -0.52 0.00 0.00 52.55 55.60 1rxs s ASP 1133Cb -0.19 -2.65 0.06 0.00 -1.46 0.00 0.00 42.92 38.68 1rxs s ASP 1133CO 0.23 -0.91 1.67 0.15 0.52 0.00 0.00 175.17 176.82 1rxs h PHE 1134N 4.21 0.97 -0.47 -5.34 3.04 -1.95 -1.18 116.94 116.23 1rxs h PHE 1134Ca -0.48 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 61.30 1rxs h PHE 1134Cb 1.23 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 1rxs h PHE 1134CO 0.57 0.84 0.11 0.93 -2.02 0.00 0.00 178.31 178.74 1rxs h GLU 1135N 0.82 0.75 -0.31 1.11 5.08 -1.96 -0.79 114.58 119.29 1rxs h GLU 1135Ca 0.18 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1rxs h GLU 1135Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1rxs h GLU 1135CO 0.01 0.74 0.18 0.00 -1.00 0.00 0.00 179.01 178.93 1rxs h THR 1137N 0.39 1.02 -0.01 0.00 2.02 -1.15 -0.10 112.91 115.08 1rxs h THR 1137Ca 0.11 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1rxs h THR 1137Cb 0.04 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1rxs h THR 1137CO -0.02 0.06 -0.12 0.74 0.37 0.00 0.00 175.52 176.56 1rxs h THR 1138N 0.35 0.71 -0.90 3.16 2.02 -0.89 0.38 112.91 117.74 1rxs h THR 1138Ca 0.12 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.39 1rxs h THR 1138Cb 0.01 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 1rxs h THR 1138CO -0.06 0.00 0.55 0.00 0.37 0.00 0.00 175.52 176.38 1rxs h ALA 1139N 0.78 1.28 -0.11 6.16 0.00 -0.62 0.14 119.26 126.89 1rxs h ALA 1139Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rxs h ALA 1139Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rxs h ALA 1139CO -0.12 0.23 -0.00 -0.07 0.00 0.00 0.00 179.25 179.28 1rxs h LEU 1140N 0.94 0.20 -0.70 0.00 3.38 -0.47 0.46 115.31 119.12 1rxs h LEU 1140Ca 0.42 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1rxs h LEU 1140Cb 0.31 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1rxs h LEU 1140CO -0.22 0.46 0.41 0.58 0.09 0.00 0.00 178.44 179.76 1rxs h VAL 1141N -0.08 1.21 -0.19 1.22 2.07 -0.51 -1.12 116.25 118.84 1rxs h VAL 1141Ca 0.03 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 1rxs h VAL 1141Cb 0.36 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1rxs h VAL 1141CO 0.01 0.22 -0.41 -0.33 0.02 0.00 0.00 177.57 177.07 1rxs h GLU 1142N 0.95 0.46 -0.52 1.57 5.08 -0.67 -1.35 114.58 120.09 1rxs h GLU 1142Ca 0.25 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1rxs h GLU 1142Cb -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1rxs h GLU 1142CO -0.04 0.79 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 1rxs h ALA 1143N 1.18 0.70 -0.40 3.43 0.00 -0.56 -1.64 119.26 121.97 1rxs h ALA 1143Ca 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rxs h ALA 1143Cb 0.88 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1rxs h ALA 1143CO 0.07 0.52 0.24 0.00 0.00 0.00 0.00 179.25 180.09 1rxs h ALA 1144N 0.95 0.52 -0.90 0.00 0.00 -1.02 -2.34 119.26 116.45 1rxs h ALA 1144Ca 0.15 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1rxs h ALA 1144Cb 0.52 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1rxs h ALA 1144CO 0.03 0.01 0.59 -0.22 0.00 0.00 0.00 179.25 179.66 1rxs h LYS 1145N 0.53 1.10 0.00 0.00 1.63 -1.12 -1.93 116.57 116.78 1rxs h LYS 1145Ca 0.15 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1rxs h LYS 1145Cb -0.00 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 1rxs h LYS 1145CO -0.03 0.73 -0.31 0.66 -3.45 0.00 0.00 179.45 177.05 1rxs h SER 1146N 1.13 0.00 -0.02 4.20 4.64 -0.77 -2.83 113.55 119.91 1rxs h SER 1146Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1rxs h SER 1146Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1rxs h SER 1146CO -0.11 0.31 -0.19 2.30 -0.87 0.00 0.00 176.83 178.27 1rxs n ILE 1147N -3.44 0.00 -1.14 0.95 -6.64 -1.01 -5.01 119.36 103.07 1rxs n ILE 1147Ca 0.00 -0.41 -0.00 0.00 -1.77 0.00 0.00 62.75 60.57 1rxs n ILE 1147Cb 0.49 1.29 -0.00 0.00 -1.44 0.00 0.00 39.64 39.98 1rxs n ILE 1147CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxs n GLY 1148N 1.13 0.40 3.78 3.28 0.00 -0.75 -5.04 105.19 107.99 1rxs n GLY 1148Ca 0.09 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1rxs n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs s ALA 1149N -2.02 3.04 -0.12 4.61 0.00 -1.05 -5.00 121.76 121.23 1rxs s ALA 1149Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 1rxs s ALA 1149Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1rxs s ALA 1149CO 0.00 -0.33 1.17 0.95 0.00 0.00 0.00 175.76 177.54 1rxs s THR 1150N -1.66 4.41 -0.00 0.00 -4.23 -1.26 -4.73 115.64 108.17 1rxs s THR 1150Ca 0.60 1.71 0.07 0.00 -1.18 0.00 0.00 61.69 62.89 1rxs s THR 1150Cb -0.23 -4.10 -0.02 0.00 1.34 0.00 0.00 72.50 69.49 1rxs s THR 1150CO 0.29 -0.07 -0.21 -0.89 -0.54 0.00 0.00 174.62 173.20 1rxs s THR 1151N 2.73 1.68 -0.06 3.99 2.01 -1.26 -1.39 115.64 123.34 1rxs s THR 1151Ca 0.53 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.61 1rxs s THR 1151Cb -0.21 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1rxs s THR 1151CO 0.17 0.42 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.27 1rxs s HIS 1152N -0.57 2.33 -0.15 4.92 3.76 0.00 -4.96 115.29 120.63 1rxs s HIS 1152Ca 0.08 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 1rxs s HIS 1152Cb -0.08 -1.53 -0.00 0.00 1.11 0.00 0.00 32.58 32.07 1rxs s HIS 1152CO -0.00 -0.22 -0.15 0.08 -0.85 0.00 0.00 174.74 173.59 1rxs s VAL 1153N -0.10 2.68 -2.37 -0.90 1.01 -1.26 -0.79 120.40 118.66 1rxs s VAL 1153Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1rxs s VAL 1153Cb -0.14 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1rxs s VAL 1153CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1rxs n GLY 1154N 3.99 -0.58 3.80 4.51 0.00 -0.63 -4.95 105.19 111.32 1rxs n GLY 1154Ca -0.19 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1rxs n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 1155N -3.37 4.97 -0.04 1.61 1.01 -1.26 -0.24 120.40 123.08 1rxs s VAL 1155Ca 0.00 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.03 1rxs s VAL 1155Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1rxs s VAL 1155CO 0.00 0.51 -0.20 -0.89 0.00 0.00 0.00 175.10 174.52 1rxs s THR 1156N -0.67 2.53 -0.25 3.92 2.01 -0.81 -0.58 115.64 121.81 1rxs s THR 1156Ca 0.26 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 1rxs s THR 1156Cb -0.17 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1rxs s THR 1156CO 0.14 0.58 0.62 0.00 -0.69 0.00 0.00 174.62 175.28 1rxs s ALA 1157N -0.60 3.60 -0.33 7.40 0.00 0.32 -0.17 121.76 131.97 1rxs s ALA 1157Ca 0.09 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 1rxs s ALA 1157Cb -0.11 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 20.04 1rxs s ALA 1157CO 0.00 -0.77 0.08 0.45 0.00 0.00 0.00 175.76 175.53 1rxs s SER 1158N 1.43 5.23 -0.08 0.00 0.15 -0.54 -1.61 113.70 118.29 1rxs s SER 1158Ca 0.26 -1.15 0.01 0.00 0.70 0.00 0.00 55.95 55.77 1rxs s SER 1158Cb -0.16 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1rxs s SER 1158CO 0.09 -0.31 -0.09 -0.55 1.20 0.00 0.00 173.24 173.58 1rxs s SER 1159N 1.38 4.46 0.05 5.45 0.15 0.21 -0.80 113.70 124.60 1rxs s SER 1159Ca -0.02 -0.10 0.13 0.00 0.70 0.00 0.00 55.95 56.66 1rxs s SER 1159Cb -0.19 -1.18 0.57 0.00 -1.71 0.00 0.00 66.02 63.51 1rxs s SER 1159CO 0.02 0.33 1.42 0.47 1.20 0.00 0.00 173.24 176.67 1rxs n ASP 1160N 2.46 0.11 -4.27 5.45 10.43 -0.50 -4.36 116.55 125.87 1rxs n ASP 1160Ca -0.18 0.53 -0.19 0.00 2.57 0.00 0.00 54.79 57.53 1rxs n ASP 1160Cb 0.53 -0.56 -0.11 0.00 1.84 0.00 0.00 41.12 42.82 1rxs n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1rxs s THR 1161N -3.07 1.47 0.03 -3.53 -4.23 -1.26 -5.01 115.64 100.04 1rxs s THR 1161Ca 0.05 -1.85 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1rxs s THR 1161Cb 0.07 -1.68 -0.24 0.00 1.34 0.00 0.00 72.50 71.99 1rxs s THR 1161CO 0.23 -0.44 0.95 0.15 -0.54 0.00 0.00 174.62 174.97 1rxs h PHE 1162N 3.29 0.18 0.00 3.99 3.57 -1.97 -3.38 116.94 122.62 1rxs h PHE 1162Ca -0.40 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 60.97 1rxs h PHE 1162Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1rxs h PHE 1162CO 0.66 1.15 0.00 0.66 -2.23 0.00 0.00 178.31 178.56 1rxs n TYR 1163N -3.31 0.00 -0.21 0.41 4.02 -1.26 -4.24 117.16 112.57 1rxs n TYR 1163Ca -0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.77 1rxs n TYR 1163Cb 1.01 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.54 1rxs n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1rxs h PRO 1164N 0.00 0.98 0.00 -0.72 0.13 -1.87 -0.39 132.00 130.13 1rxs h PRO 1164Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1rxs h PRO 1164Cb 0.00 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 30.93 1rxs h PRO 1164CO 0.00 0.72 0.00 0.78 -0.23 0.00 0.00 178.00 179.27 1rxs h GLY 1165N 1.04 0.00 -2.71 1.56 0.00 -1.85 0.78 103.07 101.88 1rxs h GLY 1165Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 1rxs h GLY 1165CO -0.04 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 175.49 1rxs n GLN 1166N -3.08 3.74 -4.08 4.80 6.02 -0.69 -4.94 117.38 119.15 1rxs n GLN 1166Ca 0.00 -3.03 -0.28 0.00 -0.01 0.00 0.00 57.00 53.68 1rxs n GLN 1166Cb 0.27 -2.07 -0.04 0.00 1.02 0.00 0.00 30.24 29.42 1rxs n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxs n GLU 1167N -0.07 -2.61 -3.23 -1.09 2.13 0.27 -4.94 120.64 111.09 1rxs n GLU 1167Ca 0.28 0.31 -0.39 0.00 0.66 0.00 0.00 57.16 58.03 1rxs n GLU 1167Cb 1.11 -4.31 -0.06 0.00 0.27 0.00 0.00 31.44 28.45 1rxs n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxs s ARG 1168N -6.81 4.34 -0.01 5.31 0.52 -0.24 -4.97 118.95 117.09 1rxs s ARG 1168Ca 0.06 0.56 0.20 0.00 -0.52 0.00 0.00 55.73 56.04 1rxs s ARG 1168Cb -0.03 -3.46 -0.27 0.00 0.52 0.00 0.00 34.95 31.71 1rxs s ARG 1168CO 0.92 0.08 0.68 0.66 0.02 0.00 0.00 175.30 177.66 1rxs n TYR 1169N 3.88 0.00 -2.56 -0.53 4.01 -1.26 -4.38 117.16 116.33 1rxs n TYR 1169Ca -0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 1rxs n TYR 1169Cb 0.51 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1rxs n TYR 1169CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1rxs n ASP 1170N -1.81 4.96 -3.04 7.72 4.64 -1.26 -4.08 116.55 123.68 1rxs n ASP 1170Ca 0.00 -2.99 -0.17 0.00 -1.38 0.00 0.00 54.79 50.25 1rxs n ASP 1170Cb 0.42 -1.59 -0.07 0.00 -1.04 0.00 0.00 41.12 38.84 1rxs n ASP 1170CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1rxs n THR 1171N 4.68 0.00 -0.22 5.18 -2.24 -1.26 -5.01 114.28 115.40 1rxs n THR 1171Ca 0.42 -2.16 -0.06 0.00 -2.27 0.00 0.00 64.05 59.98 1rxs n THR 1171Cb 0.41 1.12 0.04 0.00 -2.10 0.00 0.00 70.33 69.80 1rxs n THR 1171CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1rxs h TYR 1172N 1.99 0.80 0.00 4.78 5.03 -1.99 -3.03 116.97 124.55 1rxs h TYR 1172Ca -0.22 0.01 -0.25 0.00 2.58 0.00 0.00 58.73 60.86 1rxs h TYR 1172Cb 1.11 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 39.08 1rxs h TYR 1172CO 0.00 0.52 -1.46 0.66 -1.32 0.00 0.00 178.16 176.55 1rxs h SER 1173N 0.86 0.00 -0.40 -2.11 4.64 -1.97 -3.48 113.55 111.09 1rxs h SER 1173Ca 0.23 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.38 1rxs h SER 1173Cb -0.08 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.94 1rxs h SER 1173CO -0.05 0.90 -0.16 0.61 -0.87 0.00 0.00 176.83 177.27 1rxs n GLY 1174N 1.47 1.02 3.14 -0.77 0.00 -1.15 -5.01 105.19 103.89 1rxs n GLY 1174Ca -0.11 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1rxs n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxs s ARG 1175N -2.56 0.75 -0.05 1.61 1.70 -1.26 -4.91 118.95 114.23 1rxs s ARG 1175Ca 0.00 -1.18 0.05 0.00 -0.47 0.00 0.00 55.73 54.13 1rxs s ARG 1175Cb 0.00 -0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.14 1rxs s ARG 1175CO 0.00 0.00 -0.20 0.08 -1.08 0.00 0.00 175.30 174.11 1rxs s VAL 1176N -2.99 1.64 0.39 4.99 1.01 -1.26 -4.92 120.40 119.26 1rxs s VAL 1176Ca 0.06 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1rxs s VAL 1176Cb 0.01 -1.40 -0.11 0.00 0.00 0.00 0.00 36.38 34.88 1rxs s VAL 1176CO -0.03 0.47 1.14 0.55 0.00 0.00 0.00 175.10 177.22 1rxs n VAL 1177N 3.07 2.33 -0.35 2.92 3.14 -1.26 -4.65 118.33 123.53 1rxs n VAL 1177Ca -0.18 -0.50 0.02 0.00 -2.96 0.00 0.00 64.34 60.72 1rxs n VAL 1177Cb 0.53 -1.33 0.09 0.00 -1.06 0.00 0.00 33.84 32.07 1rxs n VAL 1177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1rxs h ARG 1178N 1.95 -0.01 -1.08 1.45 2.43 -1.99 0.17 114.38 117.30 1rxs h ARG 1178Ca -0.45 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.02 1rxs h ARG 1178Cb 1.32 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.76 1rxs h ARG 1178CO 0.59 -0.01 0.68 1.25 -1.51 0.00 0.00 179.97 180.97 1rxs h HIS 1179N -0.01 0.72 -0.01 2.20 2.76 -2.03 -2.33 115.15 116.45 1rxs h HIS 1179Ca 0.40 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1rxs h HIS 1179Cb 0.65 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1rxs h HIS 1179CO -0.79 -0.01 -0.46 1.19 -1.30 0.00 0.00 177.93 176.56 1rxs n PHE 1180N -4.72 0.00 -1.92 5.26 3.01 0.57 -4.80 117.46 114.86 1rxs n PHE 1180Ca 0.28 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.32 1rxs n PHE 1180Cb 0.96 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.40 1rxs n PHE 1180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1rxs s LYS 1181N -2.38 4.18 0.00 -1.08 2.20 -0.88 -1.43 119.74 120.36 1rxs s LYS 1181Ca 0.17 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1rxs s LYS 1181Cb 0.17 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1rxs s LYS 1181CO 0.55 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1rxs n GLY 1182N 4.13 0.56 0.19 5.54 0.00 -1.26 -4.94 105.19 109.42 1rxs n GLY 1182Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1rxs n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxs h SER 1183N 0.00 0.60 -0.41 1.61 4.64 -1.55 -3.08 113.55 115.35 1rxs h SER 1183Ca 0.00 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1rxs h SER 1183Cb 0.03 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1rxs h SER 1183CO 0.00 1.10 0.24 -0.03 -0.87 0.00 0.00 176.83 177.27 1rxs h MET 1184N 0.37 0.56 -0.84 4.77 -1.53 -1.92 -0.91 114.93 115.42 1rxs h MET 1184Ca -0.02 -0.06 0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1rxs h MET 1184Cb 1.25 -0.11 -0.05 0.00 -0.55 0.00 0.00 31.60 32.14 1rxs h MET 1184CO 0.12 0.43 0.55 1.49 0.14 0.00 0.00 176.91 179.64 1rxs h GLU 1185N 0.53 1.00 0.05 0.39 4.81 -1.97 0.41 114.58 119.81 1rxs h GLU 1185Ca 0.14 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1rxs h GLU 1185Cb 0.02 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1rxs h GLU 1185CO -0.03 0.66 -0.03 0.93 -0.73 0.00 0.00 179.01 179.82 1rxs h GLU 1186N 1.03 -0.07 -0.82 1.92 4.39 -1.24 -1.56 114.58 118.22 1rxs h GLU 1186Ca 0.34 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.09 1rxs h GLU 1186Cb 0.06 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 1rxs h GLU 1186CO -0.10 0.20 0.54 -1.49 -1.16 0.00 0.00 179.01 177.00 1rxs h TRP 1187N -0.34 0.97 -0.01 4.33 -0.00 -0.86 -1.67 115.95 118.39 1rxs h TRP 1187Ca -0.01 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.93 1rxs h TRP 1187Cb 0.30 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 29.11 1rxs h TRP 1187CO 0.01 0.55 -0.13 0.37 -0.00 0.00 0.00 178.44 179.24 1rxs h GLN 1188N 1.00 -0.22 0.00 0.49 4.15 -0.79 -1.21 115.11 118.53 1rxs h GLN 1188Ca 0.33 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.74 1rxs h GLN 1188Cb 0.08 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1rxs h GLN 1188CO -0.10 -0.14 -0.14 0.00 -1.93 0.00 0.00 178.83 176.51 1rxs h ALA 1189N 0.74 1.74 -0.03 3.38 0.00 -0.73 -2.05 119.26 122.31 1rxs h ALA 1189Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rxs h ALA 1189Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rxs h ALA 1189CO -0.14 0.17 0.00 -1.33 0.00 0.00 0.00 179.25 177.96 1rxs n MET 1190N -4.34 1.36 -0.51 0.00 2.81 -0.68 -4.90 117.12 110.86 1rxs n MET 1190Ca -0.03 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.34 1rxs n MET 1190Cb 0.21 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1rxs n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxs n GLY 1191N 1.06 0.75 3.75 3.03 0.00 -0.77 -5.03 105.19 107.98 1rxs n GLY 1191Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1rxs n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 1192N -2.58 2.23 0.03 1.61 1.01 -0.50 -4.68 120.40 117.51 1rxs s VAL 1192Ca 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 1rxs s VAL 1192Cb 0.00 -3.13 -0.30 0.00 0.00 0.00 0.00 36.38 32.95 1rxs s VAL 1192CO 0.00 0.03 0.97 0.24 0.00 0.00 0.00 175.10 176.34 1rxs h MET 1193N 4.82 0.35 -2.30 2.72 0.00 -1.16 -3.41 114.93 115.94 1rxs h MET 1193Ca -0.47 -0.59 0.17 0.00 0.00 0.00 0.00 59.70 58.80 1rxs h MET 1193Cb 1.22 0.22 -0.10 0.00 0.00 0.00 0.00 31.60 32.94 1rxs h MET 1193CO 0.78 1.26 0.50 0.54 0.00 0.00 0.00 176.91 179.98 1rxs s ASN 1194N -7.22 -0.22 -0.09 1.22 4.22 -1.26 -0.78 114.94 110.81 1rxs s ASN 1194Ca -0.08 -0.30 -0.00 0.00 -2.14 0.00 0.00 52.86 50.34 1rxs s ASN 1194Cb 0.06 0.45 -0.03 0.00 1.28 0.00 0.00 41.25 43.01 1rxs s ASN 1194CO 0.89 -0.82 -0.05 -0.31 -2.04 0.00 0.00 177.10 174.77 1rxs s TYR 1195N -3.22 3.00 0.00 1.54 1.51 -0.96 -0.52 117.35 118.70 1rxs s TYR 1195Ca 0.11 0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1rxs s TYR 1195Cb -0.01 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1rxs s TYR 1195CO -0.01 0.30 0.00 -0.85 -1.11 0.00 0.00 175.55 173.89 1rxs n GLU 1196N 2.41 0.00 0.00 -0.62 -0.00 -0.63 -3.59 120.64 118.21 1rxs n GLU 1196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1rxs n GLU 1196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1rxs n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxs n MET 1197N 0.00 1.67 0.00 3.44 2.81 -1.26 -0.62 117.12 123.16 1rxs n MET 1197Ca 0.00 -1.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.83 1rxs n MET 1197Cb 0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 1rxs n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxs n GLU 1198N -0.29 3.07 -0.08 0.03 4.71 -1.26 -3.48 120.64 123.34 1rxs n GLU 1198Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1rxs n GLU 1198Cb 0.32 -0.72 0.14 0.00 -1.01 0.00 0.00 31.44 30.17 1rxs n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxs h SER 1199N 0.00 0.72 -0.52 1.62 4.64 -1.94 -1.01 113.55 117.06 1rxs h SER 1199Ca 0.00 -0.22 0.06 0.00 -0.47 0.00 0.00 61.79 61.16 1rxs h SER 1199Cb 0.07 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 1rxs h SER 1199CO 0.00 0.87 0.24 0.00 -0.87 0.00 0.00 176.83 177.07 1rxs h ALA 1200N 1.20 0.67 0.01 5.18 0.00 -1.87 0.27 119.26 124.72 1rxs h ALA 1200Ca 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rxs h ALA 1200Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rxs h ALA 1200CO 0.04 -0.12 -0.00 1.15 0.00 0.00 0.00 179.25 180.31 1rxs h THR 1201N 0.47 1.31 0.41 0.00 2.02 -1.79 -1.99 112.91 113.34 1rxs h THR 1201Ca 0.24 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1rxs h THR 1201Cb 0.19 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1rxs h THR 1201CO -0.19 0.25 -0.41 0.25 0.37 0.00 0.00 175.52 175.78 1rxs h LEU 1202N -0.43 -1.12 -0.95 2.58 5.85 -0.86 -0.57 115.31 119.81 1rxs h LEU 1202Ca -0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1rxs h LEU 1202Cb 0.42 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1rxs h LEU 1202CO 0.00 -0.57 0.34 -0.07 -0.34 0.00 0.00 178.44 177.81 1rxs h LEU 1203N -0.84 1.00 -0.21 2.25 3.38 -0.54 -1.30 115.31 119.04 1rxs h LEU 1203Ca -0.04 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1rxs h LEU 1203Cb 0.75 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1rxs h LEU 1203CO -0.06 0.86 -0.22 0.74 0.09 0.00 0.00 178.44 179.85 1rxs h THR 1204N 1.09 1.33 -0.21 0.22 2.02 -1.21 0.22 112.91 116.36 1rxs h THR 1204Ca 0.26 -1.38 -0.12 0.00 0.77 0.00 0.00 66.41 65.94 1rxs h THR 1204Cb 0.14 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1rxs h THR 1204CO -0.03 0.42 -0.38 0.00 0.37 0.00 0.00 175.52 175.91 1rxs h MET 1205N 0.20 0.47 -0.03 6.66 -0.00 -0.85 -2.36 114.93 119.01 1rxs h MET 1205Ca 0.03 -0.22 -0.02 0.00 -0.00 0.00 0.00 59.70 59.50 1rxs h MET 1205Cb 0.77 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.36 1rxs h MET 1205CO 0.05 0.78 -0.04 0.00 -0.00 0.00 0.00 176.91 177.70 1rxs h ALA 1207N 0.47 1.71 -0.13 0.00 0.00 -0.89 -0.92 119.26 119.51 1rxs h ALA 1207Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1207Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rxs h ALA 1207CO 0.01 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1rxs n SER 1208N -4.14 2.90 -0.08 0.00 3.41 -0.90 -4.25 113.62 110.55 1rxs n SER 1208Ca -0.03 -1.93 0.03 0.00 -0.26 0.00 0.00 58.87 56.68 1rxs n SER 1208Cb 0.10 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1rxs n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxs n GLN 1209N 1.21 1.58 -1.30 4.33 6.02 -0.58 -5.00 117.38 123.65 1rxs n GLN 1209Ca 0.16 -1.52 -0.05 0.00 -0.01 0.00 0.00 57.00 55.57 1rxs n GLN 1209Cb 0.56 -0.97 -0.02 0.00 1.02 0.00 0.00 30.24 30.83 1rxs n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 1210N -0.59 0.70 3.69 1.08 0.00 -1.01 -5.03 105.19 104.04 1rxs n GLY 1210Ca 0.04 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 1rxs n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 1211N -1.28 3.61 -0.13 0.99 1.43 -0.46 -5.05 118.68 117.79 1rxs s LEU 1211Ca 0.00 0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 1rxs s LEU 1211Cb 0.00 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1rxs s LEU 1211CO 0.00 0.35 0.48 -0.13 0.23 0.00 0.00 176.35 177.28 1rxs s ARG 1212N -1.07 4.32 0.02 1.70 0.52 -0.49 -3.88 118.95 120.08 1rxs s ARG 1212Ca 0.15 0.44 0.01 0.00 -0.52 0.00 0.00 55.73 55.81 1rxs s ARG 1212Cb -0.11 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1rxs s ARG 1212CO 0.05 0.12 -0.04 0.00 0.02 0.00 0.00 175.30 175.45 1rxs s ALA 1213N 0.73 0.30 0.08 2.13 0.00 -1.26 0.41 121.76 124.16 1rxs s ALA 1213Ca 0.26 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1rxs s ALA 1213Cb -0.15 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1rxs s ALA 1213CO 0.10 -0.04 0.01 0.20 0.00 0.00 0.00 175.76 176.03 1rxs s GLY 1214N -1.03 0.67 -0.02 0.00 0.00 -0.39 -0.90 107.32 105.66 1rxs s GLY 1214Ca -0.08 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1rxs s GLY 1214CO -0.00 -1.33 0.00 1.06 0.00 0.00 0.00 173.10 172.83 1rxs s MET 1215N -3.97 0.22 0.00 2.90 -1.94 -1.26 -1.27 119.30 113.98 1rxs s MET 1215Ca 0.14 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1rxs s MET 1215Cb 0.08 -0.39 -0.00 0.00 2.01 0.00 0.00 34.83 36.53 1rxs s MET 1215CO -0.05 -0.11 -0.01 0.54 -0.01 0.00 0.00 175.02 175.38 1rxs s VAL 1216N 0.85 0.02 0.01 -6.03 0.11 -0.33 -2.32 120.40 112.72 1rxs s VAL 1216Ca -0.08 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 1rxs s VAL 1216Cb -0.11 -0.06 0.00 0.00 -1.53 0.00 0.00 36.38 34.68 1rxs s VAL 1216CO -0.02 -0.09 0.17 0.00 -3.33 0.00 0.00 175.10 171.83 1rxs s ALA 1217N -0.26 -0.37 -0.10 1.54 0.00 -0.22 -1.23 121.76 121.12 1rxs s ALA 1217Ca -0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.69 1rxs s ALA 1217Cb -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1rxs s ALA 1217CO -0.00 -0.26 0.21 0.20 0.00 0.00 0.00 175.76 175.90 1rxs s GLY 1218N -1.61 2.23 -0.30 0.00 0.00 -0.70 -0.42 107.32 106.52 1rxs s GLY 1218Ca -0.12 -0.54 -0.28 0.00 0.00 0.00 0.00 44.72 43.79 1rxs s GLY 1218CO 0.00 -0.20 1.00 0.14 0.00 0.00 0.00 173.10 174.04 1rxs s VAL 1219N -0.90 4.61 -0.06 1.40 1.01 -0.74 -1.65 120.40 124.07 1rxs s VAL 1219Ca 0.17 1.65 0.17 0.00 0.00 0.00 0.00 61.98 63.97 1rxs s VAL 1219Cb -0.13 -4.33 -0.26 0.00 0.00 0.00 0.00 36.38 31.66 1rxs s VAL 1219CO 0.06 -0.37 0.31 2.30 0.00 0.00 0.00 175.10 177.40 1rxs n ILE 1220N 5.68 0.26 -3.80 2.22 -5.35 -0.37 -1.74 119.36 116.26 1rxs n ILE 1220Ca 0.10 -0.47 -0.11 0.00 -0.27 0.00 0.00 62.75 62.00 1rxs n ILE 1220Cb 0.47 -0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.24 1rxs n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxs s VAL 1221N -3.04 0.09 -0.22 7.28 0.11 -1.24 -4.96 120.40 118.44 1rxs s VAL 1221Ca -0.07 -0.78 -0.02 0.00 -2.93 0.00 0.00 61.98 58.18 1rxs s VAL 1221Cb 0.10 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1rxs s VAL 1221CO 0.72 -0.43 -0.09 0.21 -3.33 0.00 0.00 175.10 172.18 1rxs s ASN 1222N -2.06 4.00 0.48 3.54 3.84 -1.26 -1.33 114.94 122.15 1rxs s ASN 1222Ca -0.05 -0.60 0.32 0.00 0.21 0.00 0.00 52.86 52.75 1rxs s ASN 1222Cb -0.01 -1.65 1.56 0.00 -0.55 0.00 0.00 41.25 40.60 1rxs s ASN 1222CO -0.03 -0.05 1.98 0.03 -2.79 0.00 0.00 177.10 176.23 1rxs h ARG 1223N 8.04 0.00 0.00 0.43 2.47 -1.19 -2.21 114.38 121.93 1rxs h ARG 1223Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1rxs h ARG 1223Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1rxs h ARG 1223CO 0.60 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.38 1rxs n THR 1224N -2.74 0.00 0.00 2.04 -2.24 -1.26 -3.44 114.28 106.64 1rxs n THR 1224Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1rxs n THR 1224Cb 0.17 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1rxs n THR 1224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rxs n GLN 1225N -0.73 3.26 -3.61 -0.78 10.64 -0.85 -5.10 117.38 120.22 1rxs n GLN 1225Ca 0.09 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.10 1rxs n GLN 1225Cb 0.04 -0.66 -0.07 0.00 -0.86 0.00 0.00 30.24 28.69 1rxs n GLN 1225CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1rxs s GLN 1226N -0.84 0.90 -0.10 2.61 -0.21 -1.09 -5.09 119.66 115.84 1rxs s GLN 1226Ca 0.00 0.10 -0.06 0.00 0.02 0.00 0.00 55.36 55.43 1rxs s GLN 1226Cb 0.00 0.42 -0.02 0.00 1.00 0.00 0.00 33.01 34.41 1rxs s GLN 1226CO 0.00 -0.27 -0.11 0.93 -2.12 0.00 0.00 175.29 173.72 1rxs h GLU 1227N 3.38 0.00 -5.94 2.91 5.08 -1.88 -3.32 114.58 114.82 1rxs h GLU 1227Ca -0.28 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.50 1rxs h GLU 1227Cb 1.15 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 1rxs h GLU 1227CO 0.39 0.00 0.35 0.42 -1.00 0.00 0.00 179.01 179.16 1rxs s ILE 1228N -1.86 4.90 0.02 3.13 -1.09 -1.26 -4.98 121.20 120.06 1rxs s ILE 1228Ca -0.09 1.59 -0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1rxs s ILE 1228Cb 0.01 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1rxs s ILE 1228CO 0.14 0.05 0.01 -2.65 -1.23 0.00 0.00 174.94 171.26 1rxs n PRO 1229N 5.09 -1.27 0.00 2.79 -0.02 -1.26 -5.10 135.00 135.22 1rxs n PRO 1229Ca 0.04 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1rxs n PRO 1229Cb 0.49 -0.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 1rxs n PRO 1229CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1rxs n MET 1234N -1.65 0.00 0.23 -0.52 0.00 -1.26 -5.07 117.12 108.85 1rxs n MET 1234Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.81 1rxs n MET 1234Cb 0.01 0.00 0.53 0.00 0.00 0.00 0.00 33.22 33.75 1rxs n MET 1234CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1rxs h LYS 1235N 0.00 0.00 0.00 2.12 3.64 -2.01 -2.87 116.57 117.45 1rxs h LYS 1235Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rxs h LYS 1235Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1rxs h LYS 1235CO 0.00 0.19 -0.15 1.96 -2.27 0.00 0.00 179.45 179.17 1rxs h GLN 1236N 0.00 0.00 -0.03 1.90 4.20 -2.03 -2.98 115.11 116.18 1rxs h GLN 1236Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1rxs h GLN 1236Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1rxs h GLN 1236CO 0.02 0.00 -0.09 1.15 -0.67 0.00 0.00 178.83 179.24 1rxs h THR 1237N 0.00 1.48 0.00 -0.54 2.02 -1.86 -2.57 112.91 111.44 1rxs h THR 1237Ca 0.00 -1.56 -0.06 0.00 0.77 0.00 0.00 66.41 65.57 1rxs h THR 1237Cb 0.86 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1rxs h THR 1237CO 0.00 0.42 -0.27 1.05 0.37 0.00 0.00 175.52 177.08 1rxs h GLU 1238N -0.48 0.00 -0.34 6.66 4.11 -1.66 -2.25 114.58 120.62 1rxs h GLU 1238Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1rxs h GLU 1238Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1rxs h GLU 1238CO 0.02 0.27 0.06 0.77 0.07 0.00 0.00 179.01 180.20 1rxs h SER 1239N 0.00 0.46 0.20 3.06 0.02 -1.54 0.97 113.55 116.73 1rxs h SER 1239Ca -0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1rxs h SER 1239Cb 0.85 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1rxs h SER 1239CO 0.04 0.49 -0.10 0.45 -1.14 0.00 0.00 176.83 176.57 1rxs h HIS 1240N 0.49 -0.25 -0.78 3.45 3.86 -1.00 -2.19 115.15 118.73 1rxs h HIS 1240Ca 0.11 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1rxs h HIS 1240Cb 0.23 0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 1rxs h HIS 1240CO 0.01 0.14 0.51 0.00 0.86 0.00 0.00 177.93 179.45 1rxs h ALA 1241N -0.09 1.00 -0.34 2.45 0.00 -1.33 0.72 119.26 121.66 1rxs h ALA 1241Ca -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1rxs h ALA 1241Cb 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rxs h ALA 1241CO 0.05 0.38 0.08 0.28 0.00 0.00 0.00 179.25 180.04 1rxs h VAL 1242N 1.04 1.22 -0.66 0.00 2.07 -0.88 0.05 116.25 119.09 1rxs h VAL 1242Ca 0.29 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1rxs h VAL 1242Cb -0.09 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1rxs h VAL 1242CO -0.07 0.25 0.32 0.50 0.02 0.00 0.00 177.57 178.58 1rxs h LYS 1243N 0.39 0.54 -0.39 1.57 3.64 -0.93 -1.75 116.57 119.65 1rxs h LYS 1243Ca 0.11 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1rxs h LYS 1243Cb 0.30 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1rxs h LYS 1243CO 0.00 0.36 0.06 0.82 -2.27 0.00 0.00 179.45 178.42 1rxs h ILE 1244N 0.55 1.24 -0.70 2.00 2.04 -0.35 -1.68 117.51 120.61 1rxs h ILE 1244Ca 0.32 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1rxs h ILE 1244Cb 0.32 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1rxs h ILE 1244CO -0.26 0.30 0.21 1.62 0.00 0.00 0.00 178.15 180.02 1rxs h VAL 1245N 0.49 1.26 -0.54 1.67 3.04 -0.61 0.48 116.25 122.04 1rxs h VAL 1245Ca 0.12 -0.90 -0.06 0.00 -1.01 0.00 0.00 66.70 64.85 1rxs h VAL 1245Cb 0.37 0.51 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 1rxs h VAL 1245CO 0.01 0.35 0.10 0.58 -1.01 0.00 0.00 177.57 177.59 1rxs h VAL 1246N 1.03 1.25 -0.32 1.51 2.07 -1.26 -0.05 116.25 120.49 1rxs h VAL 1246Ca 0.22 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1rxs h VAL 1246Cb 0.31 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1rxs h VAL 1246CO -0.01 0.34 -0.15 -0.08 0.02 0.00 0.00 177.57 177.70 1rxs h GLU 1247N 0.79 0.56 -0.37 1.57 4.57 -0.97 -1.54 114.58 119.19 1rxs h GLU 1247Ca 0.17 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1rxs h GLU 1247Cb 0.40 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1rxs h GLU 1247CO 0.01 0.70 -0.18 0.00 -1.18 0.00 0.00 179.01 178.36 1rxs h ALA 1248N 1.33 0.52 -0.59 2.92 0.00 -0.61 -2.82 119.26 120.01 1rxs h ALA 1248Ca 0.09 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.73 1rxs h ALA 1248Cb 0.56 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1rxs h ALA 1248CO 0.04 0.46 0.22 0.00 0.00 0.00 0.00 179.25 179.97 1rxs h ALA 1249N 0.80 0.76 -0.75 0.00 0.00 -0.68 -1.12 119.26 118.26 1rxs h ALA 1249Ca 0.08 0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.24 1rxs h ALA 1249Cb 0.73 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 1rxs h ALA 1249CO 0.05 -0.19 0.14 -0.09 0.00 0.00 0.00 179.25 179.16 1rxs h ARG 1250N 0.40 0.21 0.00 0.00 2.43 -1.05 -0.76 114.38 115.61 1rxs h ARG 1250Ca 0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1rxs h ARG 1250Cb 0.35 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1rxs h ARG 1250CO -0.30 0.14 0.00 0.54 -1.51 0.00 0.00 179.97 178.84 1rxs n ARG 1251N -5.22 0.23 -0.10 0.20 1.74 -0.46 -3.25 116.66 109.80 1rxs n ARG 1251Ca 0.15 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.62 1rxs n ARG 1251Cb 0.49 -1.83 0.15 0.00 -1.02 0.00 0.00 32.46 30.25 1rxs n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxs n LEU 1252N -2.24 3.10 0.00 0.55 4.77 -0.31 -5.06 117.00 117.81 1rxs n LEU 1252Ca 0.04 -1.29 0.13 0.00 -0.03 0.00 0.00 56.01 54.86 1rxs n LEU 1252Cb 0.35 -0.13 0.80 0.00 -2.33 0.00 0.00 43.42 42.11 1rxs n LEU 1252CO 0.26 0.62 0.97 0.18 -1.33 0.00 0.00 177.39 178.09