#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 -4.15 -3.46 3.32 -1.20 -3.47 116.42 107.45 1rxs h ASP 1005Ca 0.00 -0.15 -0.51 0.00 0.02 0.00 0.00 57.03 56.39 1rxs h ASP 1005Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 1rxs h ASP 1005CO 0.00 0.08 -0.81 0.68 -1.72 0.00 0.00 179.24 177.47 1rxs s VAL 1006N -3.24 1.58 0.18 -1.35 -7.23 -1.23 -5.05 120.40 104.05 1rxs s VAL 1006Ca 0.04 -1.55 -0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1rxs s VAL 1006Cb 0.12 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 1rxs s VAL 1006CO 0.75 -0.15 1.53 0.15 -0.31 0.00 0.00 175.10 177.07 1rxs h PHE 1007N 3.98 0.93 0.00 2.82 3.57 -1.95 -3.34 116.94 122.95 1rxs h PHE 1007Ca -0.44 -0.28 -0.35 0.00 3.53 0.00 0.00 57.97 60.44 1rxs h PHE 1007Cb 1.19 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1rxs h PHE 1007CO 0.63 1.04 -2.28 0.72 -2.23 0.00 0.00 178.31 176.20 1rxs n HIS 1008N -4.04 0.00 0.27 0.41 8.25 -1.26 -4.63 115.22 114.22 1rxs n HIS 1008Ca -0.02 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.60 1rxs n HIS 1008Cb 0.54 -0.85 0.62 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.18 0.00 -1.82 2.41 3.38 -1.92 -3.44 115.31 113.73 1rxs h LEU 1009Ca -0.52 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.08 1rxs h LEU 1009Cb 1.72 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.58 1rxs h LEU 1009CO -0.14 0.03 -0.81 0.61 0.09 0.00 0.00 178.44 178.22 1rxs n GLY 1010N 0.14 -0.39 3.38 0.83 0.00 -1.25 -4.64 105.19 103.25 1rxs n GLY 1010Ca 0.01 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.47 2.54 0.19 0.99 1.43 -1.26 -4.81 118.68 111.30 1rxs s LEU 1011Ca 0.04 -0.99 0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1rxs s LEU 1011Cb -0.01 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1rxs s LEU 1011CO 0.78 -0.09 -0.21 0.42 0.23 0.00 0.00 176.35 177.48 1rxs s THR 1012N -2.66 2.53 0.34 5.49 -4.23 -1.26 -0.56 115.64 115.30 1rxs s THR 1012Ca 0.23 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 58.88 1rxs s THR 1012Cb -0.03 -2.23 0.33 0.00 1.34 0.00 0.00 72.50 71.91 1rxs s THR 1012CO 0.09 -0.13 1.77 0.50 -0.54 0.00 0.00 174.62 176.31 1rxs h LYS 1013N 3.10 0.58 -0.90 3.99 3.64 -1.96 -0.34 116.57 124.67 1rxs h LYS 1013Ca -0.46 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1rxs h LYS 1013Cb 1.21 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 1rxs h LYS 1013CO 0.50 0.38 0.58 -0.97 -2.27 0.00 0.00 179.45 177.67 1rxs h ASN 1014N 0.59 0.95 -0.37 4.20 -0.73 -1.95 -2.80 115.58 115.49 1rxs h ASN 1014Ca 0.59 -0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.87 1rxs h ASN 1014Cb 1.16 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.53 1rxs h ASN 1014CO -0.37 0.65 0.35 0.44 -0.37 0.00 0.00 177.43 178.12 1rxs h ASP 1015N 1.11 0.00 1.13 1.15 3.32 -1.46 -1.47 116.42 120.20 1rxs h ASP 1015Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1rxs h ASP 1015Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1rxs h ASP 1015CO -0.13 0.00 -0.58 -0.07 -1.72 0.00 0.00 179.24 176.74 1rxs h LEU 1016N 0.00 0.00 -0.43 1.55 4.07 -1.60 -3.48 115.31 115.42 1rxs h LEU 1016Ca 0.17 -0.10 -0.46 0.00 0.08 0.00 0.00 57.88 57.57 1rxs h LEU 1016Cb 0.87 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.50 1rxs h LEU 1016CO -0.00 0.05 -0.71 0.00 -1.08 0.00 0.00 178.44 176.70 1rxs n GLN 1017N -2.43 -4.04 -0.57 1.13 6.02 -0.55 -1.01 117.38 115.92 1rxs n GLN 1017Ca 0.03 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1rxs n GLN 1017Cb 0.48 -5.27 0.00 0.00 1.02 0.00 0.00 30.24 26.47 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 -1.41 0.73 3.68 1.08 0.00 -1.26 -4.78 105.19 103.22 1rxs n GLY 1018Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.29 0.94 -0.64 4.61 0.00 -0.18 -4.91 120.51 120.04 1rxs n ALA 1019Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1rxs n ALA 1019Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 -0.65 0.01 -5.02 0.00 -2.24 -1.26 -4.33 114.28 100.79 1rxs n THR 1020Ca 0.09 -0.18 -0.28 0.00 -2.27 0.00 0.00 64.05 61.41 1rxs n THR 1020Cb 0.42 1.63 -0.15 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.01 2.06 -0.02 3.22 0.20 -1.26 -0.19 118.68 122.69 1rxs s LEU 1021Ca 0.00 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.42 1rxs s LEU 1021Cb 0.00 -1.11 0.00 0.00 -0.43 0.00 0.00 46.19 44.65 1rxs s LEU 1021CO 0.00 0.25 -0.06 0.00 -0.29 0.00 0.00 176.35 176.25 1rxs s ALA 1022N -0.56 0.59 -0.24 5.97 0.00 0.28 -1.91 121.76 125.90 1rxs s ALA 1022Ca 0.08 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1rxs s ALA 1022Cb -0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1rxs s ALA 1022CO -0.00 0.10 0.32 0.42 0.00 0.00 0.00 175.76 176.60 1rxs s ILE 1023N 0.13 5.23 -0.56 0.00 1.01 0.52 -0.49 121.20 127.05 1rxs s ILE 1023Ca -0.01 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.16 1rxs s ILE 1023Cb -0.06 -3.65 0.14 0.00 0.01 0.00 0.00 42.46 38.90 1rxs s ILE 1023CO -0.00 0.23 0.33 0.68 0.00 0.00 0.00 174.94 176.18 1rxs s VAL 1024N 1.60 2.93 0.92 2.92 -7.23 0.96 -1.49 120.40 121.01 1rxs s VAL 1024Ca 0.14 -3.28 -0.13 0.00 -1.81 0.00 0.00 61.98 56.90 1rxs s VAL 1024Cb -0.15 -2.99 0.14 0.00 0.56 0.00 0.00 36.38 33.95 1rxs s VAL 1024CO 0.08 -0.83 1.15 -2.16 -0.31 0.00 0.00 175.10 173.03 1rxs s PRO 1025N -0.30 1.08 -0.06 4.82 0.04 -1.23 -3.39 135.00 135.96 1rxs s PRO 1025Ca 0.17 0.21 0.02 0.00 0.04 0.00 0.00 61.00 61.44 1rxs s PRO 1025Cb -0.23 -1.84 -0.25 0.00 0.04 0.00 0.00 34.50 32.21 1rxs s PRO 1025CO -0.02 -2.22 0.60 0.78 0.04 0.00 0.00 177.00 176.18 1rxs h GLY 1026N -1.51 0.18 -7.42 0.56 0.00 -1.84 -1.42 103.07 91.62 1rxs h GLY 1026Ca -0.49 -0.45 -0.63 0.00 0.00 0.00 0.00 47.33 45.76 1rxs h GLY 1026CO 0.59 0.39 -0.34 -0.35 0.00 0.00 0.00 176.54 176.84 1rxs s ASP 1027N -6.65 6.18 0.41 0.19 3.68 -1.26 -0.90 116.67 118.32 1rxs s ASP 1027Ca -0.12 0.20 0.18 0.00 2.13 0.00 0.00 52.55 54.93 1rxs s ASP 1027Cb 0.07 -2.18 1.09 0.00 -1.45 0.00 0.00 42.92 40.46 1rxs s ASP 1027CO 0.81 -0.12 1.80 1.55 0.13 0.00 0.00 175.17 179.35 1rxs h PRO 1028N 8.14 0.39 0.00 4.34 0.13 -1.90 -1.16 132.00 141.95 1rxs h PRO 1028Ca -0.33 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1rxs h PRO 1028Cb 1.17 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rxs h PRO 1028CO 0.62 0.26 0.00 -0.44 -0.23 0.00 0.00 178.00 178.21 1rxs h ASP 1029N 0.41 0.00 0.63 1.44 3.32 -1.95 -2.63 116.42 117.64 1rxs h ASP 1029Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1rxs h ASP 1029Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1rxs h ASP 1029CO -0.25 0.00 -0.69 -1.14 -1.72 0.00 0.00 179.24 175.45 1rxs n ARG 1030N -2.52 0.19 0.03 3.56 0.63 -0.44 -4.40 116.66 113.71 1rxs n ARG 1030Ca 0.02 0.03 -0.13 0.00 -0.92 0.00 0.00 57.85 56.86 1rxs n ARG 1030Cb 0.27 -1.60 -0.08 0.00 0.45 0.00 0.00 32.46 31.50 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 1.13 -0.92 5.15 2.07 -1.48 -2.33 116.25 119.87 1rxs h VAL 1031Ca 0.00 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1rxs h VAL 1031Cb 0.66 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1rxs h VAL 1031CO 0.00 0.13 0.61 -0.08 0.02 0.00 0.00 177.57 178.25 1rxs h GLU 1032N -0.27 1.19 -0.47 1.57 4.81 -1.77 -1.09 114.58 118.56 1rxs h GLU 1032Ca -0.00 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1rxs h GLU 1032Cb 0.25 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1rxs h GLU 1032CO 0.01 0.79 0.29 0.87 -0.73 0.00 0.00 179.01 180.23 1rxs h LYS 1033N 1.23 0.57 0.03 1.92 1.57 -1.72 -0.97 116.57 119.19 1rxs h LYS 1033Ca 0.35 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1rxs h LYS 1033Cb -0.10 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.08 1rxs h LYS 1033CO -0.08 0.37 -0.01 0.82 -0.57 0.00 0.00 179.45 179.98 1rxs h ILE 1034N 0.58 1.10 -0.75 1.86 2.04 -1.03 -3.00 117.51 118.32 1rxs h ILE 1034Ca 0.18 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.73 1rxs h ILE 1034Cb -0.02 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1rxs h ILE 1034CO -0.07 0.10 0.49 0.00 0.00 0.00 0.00 178.15 178.67 1rxs h ALA 1035N 0.76 1.78 0.00 1.87 0.00 -1.01 -1.70 119.26 120.97 1rxs h ALA 1035Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 1035Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rxs h ALA 1035CO 0.01 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1rxs h ALA 1036N 1.62 1.00 0.00 0.00 0.00 -1.03 -0.86 119.26 119.99 1rxs h ALA 1036Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1rxs h ALA 1036Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rxs h ALA 1036CO -0.12 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.41 1rxs n LEU 1037N -2.88 0.00 -4.81 0.00 4.32 -0.64 -4.85 117.00 108.14 1rxs n LEU 1037Ca -0.00 0.40 -0.31 0.00 -0.02 0.00 0.00 56.01 56.08 1rxs n LEU 1037Cb 0.22 -0.40 -0.05 0.00 -1.62 0.00 0.00 43.42 41.56 1rxs n LEU 1037CO 0.23 -0.10 -0.16 -0.04 -1.22 0.00 0.00 177.39 176.10 1rxs s MET 1038N -2.81 2.22 0.29 3.23 -1.94 -0.33 -5.13 119.30 114.84 1rxs s MET 1038Ca 0.15 -2.30 -0.14 0.00 -1.71 0.00 0.00 55.69 51.69 1rxs s MET 1038Cb 0.15 -1.70 -0.08 0.00 2.01 0.00 0.00 34.83 35.20 1rxs s MET 1038CO 0.37 -0.46 0.69 -0.51 -0.01 0.00 0.00 175.02 175.10 1rxs s ASP 1039N -4.01 6.76 -1.38 3.03 1.11 -0.19 -4.44 116.67 117.54 1rxs s ASP 1039Ca 0.13 1.20 -0.01 0.00 0.18 0.00 0.00 52.55 54.05 1rxs s ASP 1039Cb 0.00 -2.34 -0.00 0.00 1.07 0.00 0.00 42.92 41.65 1rxs s ASP 1039CO 0.08 -0.15 0.46 0.29 1.18 0.00 0.00 175.17 177.03 1rxs n LYS 1040N -0.22 -3.29 -2.08 8.23 5.02 -1.26 0.15 118.16 124.71 1rxs n LYS 1040Ca 0.02 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 1rxs n LYS 1040Cb 0.53 -4.54 -0.03 0.00 -0.02 0.00 0.00 35.03 30.97 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 -6.48 4.30 -0.03 1.97 0.04 -1.26 -4.47 135.00 129.08 1rxs s PRO 1041Ca 0.03 2.21 -0.00 0.00 0.04 0.00 0.00 61.00 63.27 1rxs s PRO 1041Cb -0.01 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.39 1rxs s PRO 1041CO 0.88 -0.41 0.03 0.08 0.04 0.00 0.00 177.00 177.61 1rxs s VAL 1042N 0.44 -0.01 0.09 -0.36 1.01 0.07 -5.00 120.40 116.65 1rxs s VAL 1042Ca 0.62 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 1rxs s VAL 1042Cb -0.40 -0.14 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 1rxs s VAL 1042CO 0.37 0.12 1.38 -0.75 0.00 0.00 0.00 175.10 176.22 1rxs s LYS 1043N 1.23 4.32 -0.24 2.72 2.20 -1.26 -1.10 119.74 127.61 1rxs s LYS 1043Ca -0.07 2.04 -0.12 0.00 -0.36 0.00 0.00 55.97 57.46 1rxs s LYS 1043Cb -0.13 -3.31 -0.17 0.00 -1.51 0.00 0.00 37.83 32.71 1rxs s LYS 1043CO -0.03 -0.45 -0.09 1.28 -0.36 0.00 0.00 175.35 175.71 1rxs n LEU 1044N 4.19 2.21 -3.60 5.43 4.77 0.35 -4.92 117.00 125.44 1rxs n LEU 1044Ca 0.12 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.29 1rxs n LEU 1044Cb 0.43 -0.92 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 1rxs n LEU 1044CO 0.58 0.60 0.73 0.00 -1.33 0.00 0.00 177.39 177.97 1rxs s ALA 1045N -2.48 -1.80 -0.27 -1.18 0.00 -1.04 -5.01 121.76 109.99 1rxs s ALA 1045Ca -0.33 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 1rxs s ALA 1045Cb 0.10 0.46 0.16 0.00 0.00 0.00 0.00 23.12 23.85 1rxs s ALA 1045CO 0.57 -0.82 0.48 0.45 0.00 0.00 0.00 175.76 176.45 1rxs s SER 1046N -2.64 -0.53 -0.07 0.00 0.15 -1.26 -0.77 113.70 108.58 1rxs s SER 1046Ca 0.08 0.52 -0.04 0.00 0.70 0.00 0.00 55.95 57.21 1rxs s SER 1046Cb -0.01 1.61 0.04 0.00 -1.71 0.00 0.00 66.02 65.95 1rxs s SER 1046CO -0.05 -0.28 0.16 -1.00 1.20 0.00 0.00 173.24 173.27 1rxs s HIS 1047N 2.69 -0.19 0.00 3.44 3.76 -0.48 -5.00 115.29 119.51 1rxs s HIS 1047Ca 0.16 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 1rxs s HIS 1047Cb -0.15 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.51 1rxs s HIS 1047CO -0.18 -0.16 0.00 0.54 -0.85 0.00 0.00 174.74 174.08 1rxs n ARG 1048N 3.98 0.00 -0.04 1.40 1.74 -1.26 -0.06 116.66 122.42 1rxs n ARG 1048Ca -0.24 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.90 1rxs n ARG 1048Cb 0.53 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 32.25 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 -3.46 5.56 0.00 -1.26 -4.72 120.64 132.03 1rxs n GLU 1049Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 57.16 56.33 1rxs n GLU 1049Cb 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 31.44 30.16 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 -1.89 3.38 -0.15 -1.84 0.40 0.92 -4.00 117.98 114.80 1rxs s PHE 1050Ca 0.19 -1.68 -0.04 0.00 -0.60 0.00 0.00 56.93 54.79 1rxs s PHE 1050Cb 0.09 -3.62 -0.03 0.00 0.51 0.00 0.00 43.02 39.97 1rxs s PHE 1050CO 0.15 -1.00 -0.01 0.99 0.70 0.00 0.00 175.22 176.04 1rxs s THR 1051N 1.36 4.15 -0.11 0.64 2.01 -1.26 -1.38 115.64 121.05 1rxs s THR 1051Ca 0.06 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1rxs s THR 1051Cb -0.27 -2.82 0.02 0.00 0.01 0.00 0.00 72.50 69.44 1rxs s THR 1051CO 0.00 0.50 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.43 1rxs s THR 1052N 0.19 1.27 0.15 -0.82 2.01 0.05 -1.72 115.64 116.76 1rxs s THR 1052Ca -0.00 -0.48 0.10 0.00 0.31 0.00 0.00 61.69 61.62 1rxs s THR 1052Cb -0.13 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1rxs s THR 1052CO 0.02 0.40 -0.22 0.26 -0.69 0.00 0.00 174.62 174.39 1rxs s TRP 1053N 1.23 2.40 0.03 4.92 0.52 0.31 -0.49 118.94 127.85 1rxs s TRP 1053Ca -0.03 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.83 1rxs s TRP 1053Cb -0.14 -1.24 -0.03 0.00 -1.15 0.00 0.00 33.47 30.91 1rxs s TRP 1053CO -0.04 0.42 -0.16 0.50 0.02 0.00 0.00 176.95 177.69 1rxs s ARG 1054N -2.36 2.17 0.03 4.98 3.52 -0.26 -0.37 118.95 126.66 1rxs s ARG 1054Ca 0.18 -0.92 -0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1rxs s ARG 1054Cb -0.09 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 1rxs s ARG 1054CO 0.09 0.56 0.04 0.00 -0.81 0.00 0.00 175.30 175.18 1rxs n ALA 1055N 1.64 -0.03 -3.00 6.12 0.00 -0.27 -0.75 120.51 124.22 1rxs n ALA 1055Ca -0.16 -0.15 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 1rxs n ALA 1055Cb 0.52 0.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.07 0.49 -0.06 0.00 2.12 0.12 -0.66 118.70 118.64 1rxs s GLU 1056Ca 0.03 -0.15 -0.01 0.00 0.36 0.00 0.00 54.97 55.19 1rxs s GLU 1056Cb -0.00 -0.50 0.03 0.00 0.26 0.00 0.00 34.13 33.92 1rxs s GLU 1056CO 0.02 0.06 0.02 -1.17 -0.54 0.00 0.00 175.26 173.64 1rxs s LEU 1057N 0.16 0.57 -1.36 2.70 2.96 0.49 -1.02 118.68 123.18 1rxs s LEU 1057Ca -0.02 -0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.71 1rxs s LEU 1057Cb -0.05 -0.33 0.02 0.00 0.50 0.00 0.00 46.19 46.32 1rxs s LEU 1057CO -0.00 -0.19 0.28 0.47 -1.32 0.00 0.00 176.35 175.58 1rxs n ASP 1058N 5.02 -1.13 -0.21 3.68 8.00 -1.26 -0.57 116.55 130.08 1rxs n ASP 1058Ca -0.09 -1.25 -0.03 0.00 0.71 0.00 0.00 54.79 54.13 1rxs n ASP 1058Cb 0.50 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.06 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 -2.34 0.35 3.53 0.44 0.00 -1.26 -4.98 105.19 100.93 1rxs n GLY 1059Ca -0.23 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.92 2.61 0.28 1.61 1.02 0.27 -5.09 119.74 118.51 1rxs s LYS 1060Ca 0.00 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 1rxs s LYS 1060Cb 0.00 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1rxs s LYS 1060CO 0.00 0.64 1.27 -1.25 -0.92 0.00 0.00 175.35 175.09 1rxs s PRO 1061N -0.83 4.42 0.02 -1.68 0.04 -1.26 -0.38 135.00 135.32 1rxs s PRO 1061Ca 0.12 2.10 0.02 0.00 0.04 0.00 0.00 61.00 63.28 1rxs s PRO 1061Cb -0.11 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1rxs s PRO 1061CO 0.01 -0.14 -0.07 0.08 0.04 0.00 0.00 177.00 176.93 1rxs s VAL 1062N -0.77 0.55 -0.09 -0.36 1.01 0.16 -4.38 120.40 116.52 1rxs s VAL 1062Ca 0.50 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1rxs s VAL 1062Cb -0.37 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1rxs s VAL 1062CO 0.46 -0.06 0.05 -0.63 0.00 0.00 0.00 175.10 174.93 1rxs s ILE 1063N -0.64 4.73 -0.15 2.22 -1.09 -0.80 -1.11 121.20 124.36 1rxs s ILE 1063Ca -0.02 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.30 1rxs s ILE 1063Cb -0.05 -3.03 0.01 0.00 -1.58 0.00 0.00 42.46 37.81 1rxs s ILE 1063CO 0.00 0.59 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.40 1rxs s VAL 1064N -0.96 2.02 -0.10 2.92 1.01 0.50 -0.35 120.40 125.44 1rxs s VAL 1064Ca 0.15 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1rxs s VAL 1064Cb -0.12 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.51 1rxs s VAL 1064CO 0.04 0.54 0.23 0.00 0.00 0.00 0.00 175.10 175.91 1rxs s SER 1066N 1.38 6.88 -0.02 0.00 1.04 -0.70 -3.48 113.70 118.79 1rxs s SER 1066Ca -0.08 1.48 0.19 0.00 0.48 0.00 0.00 55.95 58.01 1rxs s SER 1066Cb -0.11 -2.45 -0.28 0.00 0.10 0.00 0.00 66.02 63.28 1rxs s SER 1066CO -0.08 -0.25 0.45 0.35 0.98 0.00 0.00 173.24 174.69 1rxs n THR 1067N -0.39 0.00 -2.70 2.02 -2.24 -0.53 -4.44 114.28 105.99 1rxs n THR 1067Ca 0.05 -0.38 0.02 0.00 -2.27 0.00 0.00 64.05 61.47 1rxs n THR 1067Cb 0.53 0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.45 -1.92 3.71 3.38 0.00 -0.08 -3.25 105.19 108.48 1rxs n GLY 1068Ca -0.03 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.56 5.08 0.00 -0.61 1.01 -1.26 -4.71 121.20 120.15 1rxs s ILE 1069Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.92 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 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1rxs n GLY 1070N 3.25 1.77 0.21 6.18 0.00 -1.25 -4.58 105.19 110.76 1rxs n GLY 1070Ca -0.03 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 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 0.11 0.57 -0.02 0.00 -1.85 -1.64 103.07 100.23 1rxs h GLY 1071Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.55 1rxs h GLY 1071CO 0.00 -0.17 -0.14 -2.55 0.00 0.00 0.00 176.54 173.68 1rxs h PRO 1072N -0.10 -0.20 -0.03 4.80 0.11 -1.94 0.51 132.00 135.15 1rxs h PRO 1072Ca 0.17 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.12 1rxs h PRO 1072Cb 0.35 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1rxs h PRO 1072CO -0.39 -0.13 -0.72 0.66 -0.21 0.00 0.00 178.00 177.21 1rxs h SER 1073N -0.20 0.24 -0.14 -2.05 4.64 -1.79 -2.68 113.55 111.57 1rxs h SER 1073Ca 0.07 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1rxs h SER 1073Cb 0.30 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 1rxs h SER 1073CO -0.19 0.88 -0.15 0.74 -0.87 0.00 0.00 176.83 177.24 1rxs h THR 1074N 0.13 0.60 -0.42 2.95 2.02 -0.61 -1.80 112.91 115.78 1rxs h THR 1074Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 1rxs h THR 1074Cb 1.27 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1rxs h THR 1074CO 0.11 0.00 0.30 0.77 0.37 0.00 0.00 175.52 177.07 1rxs h SER 1075N -0.17 0.01 -0.04 4.18 4.64 0.28 -0.49 113.55 121.95 1rxs h SER 1075Ca 0.10 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1rxs h SER 1075Cb 0.32 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1rxs h SER 1075CO -0.25 0.01 -0.16 0.40 -0.87 0.00 0.00 176.83 175.96 1rxs h ILE 1076N 0.01 1.46 -0.09 0.95 2.04 -1.04 -2.17 117.51 118.66 1rxs h ILE 1076Ca 0.20 -1.59 0.02 0.00 1.00 0.00 0.00 64.86 64.49 1rxs h ILE 1076Cb 0.79 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 1rxs h ILE 1076CO -0.00 0.44 -0.03 0.00 0.00 0.00 0.00 178.15 178.55 1rxs h ALA 1077N 0.41 0.05 -0.06 1.87 0.00 -0.54 -1.54 119.26 119.46 1rxs h ALA 1077Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rxs h ALA 1077Cb 0.79 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rxs h ALA 1077CO 0.03 -0.50 0.04 0.28 0.00 0.00 0.00 179.25 179.10 1rxs h VAL 1078N -0.02 1.06 -0.50 0.00 2.07 -1.20 -0.17 116.25 117.48 1rxs h VAL 1078Ca 0.05 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1rxs h VAL 1078Cb 0.09 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1rxs h VAL 1078CO -0.10 0.05 0.26 -0.08 0.02 0.00 0.00 177.57 177.72 1rxs h GLU 1079N 0.03 0.49 -0.00 1.57 4.57 -1.25 0.27 114.58 120.27 1rxs h GLU 1079Ca 0.02 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 57.93 1rxs h GLU 1079Cb 0.05 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1rxs h GLU 1079CO -0.00 0.33 -0.97 0.93 -1.18 0.00 0.00 179.01 178.11 1rxs h GLU 1080N 0.51 0.51 -0.54 1.92 5.08 -1.07 -1.19 114.58 119.79 1rxs h GLU 1080Ca 0.22 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1rxs h GLU 1080Cb 0.12 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1rxs h GLU 1080CO -0.15 1.18 0.28 -0.07 -1.00 0.00 0.00 179.01 179.25 1rxs h LEU 1081N 0.29 0.69 -0.58 1.33 3.38 -0.75 -2.18 115.31 117.48 1rxs h LEU 1081Ca -0.09 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1rxs h LEU 1081Cb 1.61 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 1rxs h LEU 1081CO 0.18 0.60 0.19 0.00 0.09 0.00 0.00 178.44 179.49 1rxs h ALA 1082N 1.12 0.72 -0.51 1.53 0.00 -0.12 0.68 119.26 122.68 1rxs h ALA 1082Ca 0.19 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1rxs h ALA 1082Cb 0.07 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1rxs h ALA 1082CO -0.03 -0.23 0.35 1.96 0.00 0.00 0.00 179.25 181.30 1rxs h GLN 1083N 0.35 0.19 -0.02 0.00 4.20 -0.80 -1.34 115.11 117.69 1rxs h GLN 1083Ca 0.29 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1rxs h GLN 1083Cb 0.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1rxs h GLN 1083CO -0.32 0.12 -0.07 1.28 -0.67 0.00 0.00 178.83 179.17 1rxs n LEU 1084N -4.44 1.66 0.00 1.46 4.77 0.15 -4.92 117.00 115.68 1rxs n LEU 1084Ca 0.09 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1rxs n LEU 1084Cb 0.45 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1rxs n LEU 1084CO 0.35 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1rxs n GLY 1085N 1.24 0.97 3.74 -0.72 0.00 -0.50 -4.86 105.19 105.06 1rxs n GLY 1085Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.62 0.00 -0.61 -1.09 -0.87 -4.44 121.20 115.82 1rxs s ILE 1086Ca 0.00 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 1rxs s ILE 1086Cb 0.00 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1rxs s ILE 1086CO 0.00 0.21 0.04 0.54 -1.23 0.00 0.00 174.94 174.50 1rxs n ARG 1087N 2.57 3.80 -4.15 2.79 5.12 0.73 -4.20 116.66 123.32 1rxs n ARG 1087Ca 0.04 -0.04 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1rxs n ARG 1087Cb 0.45 -0.38 -0.17 0.00 -1.16 0.00 0.00 32.46 31.20 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 -0.55 0.79 -0.18 0.55 2.01 -0.80 -1.41 115.64 116.05 1rxs s THR 1088Ca 0.00 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1rxs s THR 1088Cb 0.00 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.72 1rxs s THR 1088CO 0.00 0.30 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.69 1rxs s PHE 1089N 1.21 2.79 -0.26 4.92 0.08 0.11 -0.56 117.98 126.28 1rxs s PHE 1089Ca -0.06 -1.54 -0.05 0.00 0.12 0.00 0.00 56.93 55.41 1rxs s PHE 1089Cb -0.14 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1rxs s PHE 1089CO -0.02 -0.76 0.02 -0.51 -0.10 0.00 0.00 175.22 173.85 1rxs s LEU 1090N 1.27 3.44 -0.04 -0.37 1.43 0.36 -1.45 118.68 123.32 1rxs s LEU 1090Ca 0.04 -0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 1rxs s LEU 1090Cb -0.13 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1rxs s LEU 1090CO -0.11 -0.12 0.64 -0.60 0.23 0.00 0.00 176.35 176.39 1rxs s ARG 1091N 1.47 4.39 -0.14 1.70 6.06 -0.44 -0.03 118.95 131.96 1rxs s ARG 1091Ca 0.03 0.80 0.02 0.00 -2.50 0.00 0.00 55.73 54.07 1rxs s ARG 1091Cb -0.16 -3.40 0.01 0.00 0.06 0.00 0.00 34.95 31.46 1rxs s ARG 1091CO -0.00 0.21 -0.18 -1.50 -2.50 0.00 0.00 175.30 171.32 1rxs s ILE 1092N 0.32 1.80 0.34 4.11 1.10 -1.22 -1.18 121.20 126.48 1rxs s ILE 1092Ca 0.34 -0.81 0.07 0.00 -0.51 0.00 0.00 60.65 59.74 1rxs s ILE 1092Cb -0.18 -1.62 -0.03 0.00 0.15 0.00 0.00 42.46 40.78 1rxs s ILE 1092CO 0.17 0.50 0.26 -0.83 -2.11 0.00 0.00 174.94 172.93 1rxs s GLY 1093N 1.04 2.36 0.11 1.50 0.00 -0.28 -4.09 107.32 107.95 1rxs s GLY 1093Ca -0.03 -1.96 0.07 0.00 0.00 0.00 0.00 44.72 42.80 1rxs s GLY 1093CO -0.05 -1.52 -0.11 -0.51 0.00 0.00 0.00 173.10 170.92 1rxs s THR 1094N -3.43 3.32 0.15 0.90 -4.23 -1.26 -1.75 115.64 109.34 1rxs s THR 1094Ca 0.39 -1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 59.45 1rxs s THR 1094Cb 0.02 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.33 1rxs s THR 1094CO 0.26 0.10 0.39 0.28 -0.54 0.00 0.00 174.62 175.11 1rxs s THR 1095N -1.23 0.06 -0.18 3.99 -1.32 -0.70 -4.90 115.64 111.37 1rxs s THR 1095Ca 0.21 -0.88 -0.01 0.00 -1.21 0.00 0.00 61.69 59.80 1rxs s THR 1095Cb -0.11 -1.46 -0.00 0.00 -1.51 0.00 0.00 72.50 69.41 1rxs s THR 1095CO 0.14 -0.28 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.32 1rxs s GLY 1096N -2.87 1.53 0.50 6.08 0.00 -1.23 -1.28 107.32 110.05 1rxs s GLY 1096Ca 0.08 -1.07 -0.19 0.00 0.00 0.00 0.00 44.72 43.54 1rxs s GLY 1096CO -0.06 0.15 1.03 0.00 0.00 0.00 0.00 173.10 174.22 1rxs s ALA 1097N 1.00 2.88 -0.06 3.20 0.00 -0.43 -2.25 121.76 126.10 1rxs s ALA 1097Ca -0.01 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1rxs s ALA 1097Cb -0.15 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1rxs s ALA 1097CO -0.02 -0.35 0.72 0.44 0.00 0.00 0.00 175.76 176.54 1rxs n ILE 1098N -1.19 0.40 -4.10 0.00 -5.35 0.79 -1.30 119.36 108.60 1rxs n ILE 1098Ca 0.09 -0.70 -0.35 0.00 -0.27 0.00 0.00 62.75 61.52 1rxs n ILE 1098Cb 0.53 0.81 -0.09 0.00 -1.74 0.00 0.00 39.64 39.15 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 -0.43 3.50 0.58 6.28 -1.52 -1.24 -4.78 119.66 122.06 1rxs s GLN 1099Ca 0.01 -0.31 0.36 0.00 -1.95 0.00 0.00 55.36 53.46 1rxs s GLN 1099Cb 0.01 -3.06 1.68 0.00 -0.22 0.00 0.00 33.01 31.41 1rxs s GLN 1099CO 0.01 0.55 2.10 -1.00 -0.25 0.00 0.00 175.29 176.70 1rxs h PRO 1100N 5.74 0.00 0.00 2.91 0.13 -1.96 -2.71 132.00 136.11 1rxs h PRO 1100Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1rxs h PRO 1100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rxs h PRO 1100CO 0.62 0.03 -0.16 -2.39 -0.23 0.00 0.00 178.00 175.87 1rxs n HIS 1101N -3.17 0.76 -3.06 1.56 1.44 -1.26 -4.79 115.22 106.70 1rxs n HIS 1101Ca -0.01 0.22 -0.40 0.00 -2.01 0.00 0.00 57.72 55.52 1rxs n HIS 1101Cb 0.23 -0.83 -0.05 0.00 0.12 0.00 0.00 29.99 29.46 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 -3.11 4.99 0.23 0.61 1.01 -1.02 -5.06 121.20 118.85 1rxs s ILE 1102Ca 0.10 1.32 0.06 0.00 0.00 0.00 0.00 60.65 62.13 1rxs s ILE 1102Cb 0.13 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1rxs s ILE 1102CO 0.62 0.11 0.26 0.20 0.00 0.00 0.00 174.94 176.13 1rxs s ASN 1103N 1.14 5.91 0.13 3.58 0.02 -1.26 -4.90 114.94 119.55 1rxs s ASN 1103Ca 0.32 -0.08 -0.31 0.00 -1.02 0.00 0.00 52.86 51.77 1rxs s ASN 1103Cb -0.16 -1.63 -0.11 0.00 0.02 0.00 0.00 41.25 39.37 1rxs s ASN 1103CO 0.12 -0.03 1.84 0.52 0.02 0.00 0.00 177.10 179.56 1rxs n VAL 1104N -1.14 0.36 0.00 1.60 0.31 -1.26 -1.27 118.33 116.93 1rxs n VAL 1104Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1rxs n VAL 1104Cb 0.57 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 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 4.24 2.23 3.75 2.92 0.00 -0.78 -5.01 105.19 112.54 1rxs n GLY 1105Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.67 4.10 -0.09 1.61 -0.00 -0.40 -4.79 116.67 116.44 1rxs s ASP 1106Ca 0.00 1.68 0.04 0.00 -0.00 0.00 0.00 52.55 54.27 1rxs s ASP 1106Cb 0.00 -2.38 -0.01 0.00 -0.00 0.00 0.00 42.92 40.53 1rxs s ASP 1106CO 0.00 -2.27 -0.21 -0.69 -0.00 0.00 0.00 175.17 172.00 1rxs s VAL 1107N -2.92 2.39 -0.17 -1.27 1.01 -0.49 -1.99 120.40 116.96 1rxs s VAL 1107Ca 0.62 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1rxs s VAL 1107Cb -0.17 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1rxs s VAL 1107CO 0.56 0.56 -0.09 -0.76 0.00 0.00 0.00 175.10 175.37 1rxs s LEU 1108N 0.04 2.81 -0.24 3.92 1.43 0.11 -0.66 118.68 126.09 1rxs s LEU 1108Ca -0.08 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1rxs s LEU 1108Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1rxs s LEU 1108CO 0.05 0.08 0.07 -0.69 0.23 0.00 0.00 176.35 176.09 1rxs s VAL 1109N 0.87 4.38 -0.20 -1.59 1.01 0.04 -0.83 120.40 124.08 1rxs s VAL 1109Ca -0.02 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1rxs s VAL 1109Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1rxs s VAL 1109CO 0.01 0.36 0.56 -0.89 0.00 0.00 0.00 175.10 175.13 1rxs s THR 1110N 1.39 5.07 0.02 3.92 2.01 -1.01 -1.82 115.64 125.22 1rxs s THR 1110Ca 0.05 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.98 1rxs s THR 1110Cb -0.15 -3.88 -0.32 0.00 0.01 0.00 0.00 72.50 68.16 1rxs s THR 1110CO 0.04 0.15 0.95 0.71 -0.69 0.00 0.00 174.62 175.78 1rxs h THR 1111N 5.14 1.25 -2.48 -0.82 1.35 -1.27 -3.40 112.91 112.67 1rxs h THR 1111Ca -0.33 -2.75 0.05 0.00 -0.55 0.00 0.00 66.41 62.83 1rxs h THR 1111Cb 1.15 2.94 -0.15 0.00 -1.73 0.00 0.00 68.15 70.36 1rxs h THR 1111CO 0.75 0.84 0.38 0.00 -0.25 0.00 0.00 175.52 177.24 1rxs s ALA 1112N -2.61 -1.75 0.04 6.62 0.00 -1.26 -0.24 121.76 122.56 1rxs s ALA 1112Ca -0.09 0.88 0.09 0.00 0.00 0.00 0.00 51.96 52.83 1rxs s ALA 1112Cb 0.05 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1rxs s ALA 1112CO 0.91 -0.68 -0.24 -1.12 0.00 0.00 0.00 175.76 174.63 1rxs s SER 1113N -2.42 3.35 -0.02 0.00 0.01 -0.01 -2.03 113.70 112.58 1rxs s SER 1113Ca 0.02 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 1rxs s SER 1113Cb -0.01 -0.38 -0.06 0.00 0.21 0.00 0.00 66.02 65.78 1rxs s SER 1113CO -0.09 0.26 1.55 -0.69 0.41 0.00 0.00 173.24 174.69 1rxs s VAL 1114N -0.83 3.54 -1.15 3.43 1.01 0.86 -4.33 120.40 122.92 1rxs s VAL 1114Ca 0.12 0.82 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 1rxs s VAL 1114Cb -0.10 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1rxs s VAL 1114CO 0.03 -0.04 1.52 -0.13 0.00 0.00 0.00 175.10 176.48 1rxs s ARG 1115N 3.20 3.84 -0.40 2.72 0.52 -1.26 -1.57 118.95 126.01 1rxs s ARG 1115Ca 0.69 -1.83 0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1rxs s ARG 1115Cb -0.33 -5.32 0.64 0.00 0.52 0.00 0.00 34.95 30.46 1rxs s ARG 1115CO 0.28 -2.09 1.80 1.28 0.02 0.00 0.00 175.30 176.59 1rxs n LEU 1116N 7.77 6.04 -4.76 2.53 4.77 -0.03 -4.96 117.00 128.36 1rxs n LEU 1116Ca 0.39 -3.60 -0.29 0.00 -0.03 0.00 0.00 56.01 52.48 1rxs n LEU 1116Cb 0.47 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1rxs n LEU 1116CO 0.68 1.07 -0.18 1.51 -1.33 0.00 0.00 177.39 179.14 1rxs s ASP 1117N -1.57 4.26 -0.22 -1.43 -4.77 -1.20 -1.62 116.67 110.12 1rxs s ASP 1117Ca 0.54 -1.37 0.11 0.00 -3.30 0.00 0.00 52.55 48.52 1rxs s ASP 1117Cb 0.46 0.07 -0.22 0.00 -1.09 0.00 0.00 42.92 42.14 1rxs s ASP 1117CO 0.09 -0.75 -0.04 0.61 0.70 0.00 0.00 175.17 175.78 1rxs n GLY 1118N -1.30 -0.72 0.29 2.12 0.00 -1.26 -4.67 105.19 99.66 1rxs n GLY 1118Ca -0.08 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 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 0.55 0.94 -0.87 4.61 0.00 -1.98 -2.96 119.26 119.56 1rxs h ALA 1119Ca -0.55 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.15 1rxs h ALA 1119Cb 2.09 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.62 1rxs h ALA 1119CO -0.02 0.63 0.56 0.66 0.00 0.00 0.00 179.25 181.08 1rxs h SER 1120N 0.84 0.74 0.07 0.00 4.64 -1.85 0.18 113.55 118.18 1rxs h SER 1120Ca 0.15 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1rxs h SER 1120Cb 0.56 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1rxs h SER 1120CO 0.03 0.43 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.35 1rxs h LEU 1121N 0.81 0.00 -0.08 5.97 3.38 -1.63 0.24 115.31 124.01 1rxs h LEU 1121Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1rxs h LEU 1121Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1rxs h LEU 1121CO -0.17 0.00 -0.02 1.41 0.09 0.00 0.00 178.44 179.75 1rxs n HIS 1122N -3.10 0.00 0.00 1.13 8.25 0.63 -3.99 115.22 118.13 1rxs n HIS 1122Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1rxs n HIS 1122Cb 0.09 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.06 0.00 -3.69 4.41 3.72 0.78 -5.09 117.46 116.53 1rxs n PHE 1123Ca 0.18 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.44 1rxs n PHE 1123Cb 0.20 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.99 -1.16 1.04 4.37 0.00 -0.70 -5.00 121.76 118.32 1rxs s ALA 1124Ca 0.00 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.89 1rxs s ALA 1124Cb 0.00 -0.40 0.22 0.00 0.00 0.00 0.00 23.12 22.94 1rxs s ALA 1124CO 0.00 -0.26 1.08 -1.25 0.00 0.00 0.00 175.76 175.33 1rxs s PRO 1125N -0.46 0.04 0.45 0.00 0.04 -1.26 -3.89 135.00 129.91 1rxs s PRO 1125Ca -0.06 1.09 0.17 0.00 0.04 0.00 0.00 61.00 62.24 1rxs s PRO 1125Cb -0.03 -1.65 1.10 0.00 0.04 0.00 0.00 34.50 33.96 1rxs s PRO 1125CO 0.03 -3.15 1.95 1.25 0.04 0.00 0.00 177.00 177.12 1rxs h LEU 1126N -2.23 0.31 -1.32 -3.56 5.85 -1.94 -1.91 115.31 110.51 1rxs h LEU 1126Ca -0.53 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1rxs h LEU 1126Cb 1.30 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1rxs h LEU 1126CO 0.48 0.17 0.00 1.05 -0.34 0.00 0.00 178.44 179.80 1rxs h GLU 1127N 0.34 0.00 -6.50 1.25 9.09 -2.03 -3.43 114.58 113.30 1rxs h GLU 1127Ca 0.32 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.20 1rxs h GLU 1127Cb 0.77 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.85 1rxs h GLU 1127CO -0.08 0.00 0.39 0.12 0.05 0.00 0.00 179.01 179.48 1rxs s PHE 1128N -3.55 3.71 0.13 2.06 5.36 -0.72 -4.99 117.98 119.98 1rxs s PHE 1128Ca 0.01 1.71 -0.30 0.00 -0.96 0.00 0.00 56.93 57.39 1rxs s PHE 1128Cb 0.09 -3.12 -0.07 0.00 -0.34 0.00 0.00 43.02 39.58 1rxs s PHE 1128CO 0.36 -0.03 1.16 -1.25 -1.46 0.00 0.00 175.22 173.99 1rxs s PRO 1129N 0.47 4.50 -1.46 10.12 0.04 -1.26 -4.91 135.00 142.50 1rxs s PRO 1129Ca 0.50 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1rxs s PRO 1129Cb -0.23 -3.30 0.04 0.00 0.04 0.00 0.00 34.50 31.04 1rxs s PRO 1129CO 0.29 -0.10 2.28 0.00 0.04 0.00 0.00 177.00 179.51 1rxs n ALA 1130N 3.06 5.73 -2.79 8.56 0.00 -1.26 -4.80 120.51 129.01 1rxs n ALA 1130Ca 0.06 -3.88 -0.37 0.00 0.00 0.00 0.00 53.44 49.25 1rxs n ALA 1130Cb 0.46 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.36 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 2.91 5.39 0.57 0.00 0.11 -1.26 -0.83 120.40 127.30 1rxs s VAL 1131Ca 0.49 0.36 -0.15 0.00 -2.93 0.00 0.00 61.98 59.75 1rxs s VAL 1131Cb 0.14 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.46 1rxs s VAL 1131CO -0.08 0.61 1.01 0.00 -3.33 0.00 0.00 175.10 173.31 1rxs s ALA 1132N -1.04 2.99 0.24 1.54 0.00 0.66 -4.68 121.76 121.47 1rxs s ALA 1132Ca 0.17 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 1rxs s ALA 1132Cb -0.13 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1rxs s ALA 1132CO 0.06 -0.53 1.39 0.34 0.00 0.00 0.00 175.76 177.03 1rxs s ASP 1133N -3.37 6.73 0.22 0.00 -1.08 0.31 -4.92 116.67 114.56 1rxs s ASP 1133Ca 0.59 2.60 -0.10 0.00 -0.52 0.00 0.00 52.55 55.12 1rxs s ASP 1133Cb -0.12 -2.62 0.18 0.00 -1.46 0.00 0.00 42.92 38.90 1rxs s ASP 1133CO 0.40 -0.64 1.88 0.15 0.52 0.00 0.00 175.17 177.49 1rxs h PHE 1134N 4.96 0.98 -0.46 -5.34 3.04 -1.95 -0.87 116.94 117.30 1rxs h PHE 1134Ca -0.46 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.42 1rxs h PHE 1134Cb 1.22 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.38 1rxs h PHE 1134CO 0.60 0.61 -0.08 0.93 -2.02 0.00 0.00 178.31 178.35 1rxs h GLU 1135N 1.05 0.87 -0.01 1.11 5.08 -1.95 0.28 114.58 121.02 1rxs h GLU 1135Ca 0.29 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rxs h GLU 1135Cb -0.10 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1rxs h GLU 1135CO -0.07 0.96 0.01 0.00 -1.00 0.00 0.00 179.01 178.90 1rxs h THR 1137N -0.08 1.12 0.21 0.00 2.02 -1.02 0.57 112.91 115.73 1rxs h THR 1137Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1rxs h THR 1137Cb 0.10 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1rxs h THR 1137CO -0.00 0.17 -0.10 0.74 0.37 0.00 0.00 175.52 176.70 1rxs h THR 1138N 0.91 0.80 -0.95 3.16 2.02 -0.67 0.10 112.91 118.27 1rxs h THR 1138Ca 0.29 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.59 1rxs h THR 1138Cb -0.01 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.12 1rxs h THR 1138CO -0.10 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.40 1rxs h ALA 1139N 0.52 1.63 -0.13 6.16 0.00 -0.53 0.18 119.26 127.08 1rxs h ALA 1139Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1rxs h ALA 1139Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rxs h ALA 1139CO 0.05 0.14 -0.05 -0.07 0.00 0.00 0.00 179.25 179.31 1rxs h LEU 1140N 0.89 0.28 -0.59 0.00 3.38 -0.29 -0.54 115.31 118.44 1rxs h LEU 1140Ca 0.47 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1rxs h LEU 1140Cb 0.53 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1rxs h LEU 1140CO -0.23 0.61 0.25 0.58 0.09 0.00 0.00 178.44 179.74 1rxs h VAL 1141N -0.06 1.22 -0.26 1.22 2.07 -0.33 -1.54 116.25 118.57 1rxs h VAL 1141Ca 0.03 -0.67 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 1rxs h VAL 1141Cb 0.50 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1rxs h VAL 1141CO 0.02 0.26 -0.34 -0.33 0.02 0.00 0.00 177.57 177.20 1rxs h GLU 1142N 0.81 0.57 -0.43 1.57 5.08 -0.62 -1.58 114.58 119.98 1rxs h GLU 1142Ca 0.20 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1rxs h GLU 1142Cb 0.17 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1rxs h GLU 1142CO -0.02 0.83 0.10 0.00 -1.00 0.00 0.00 179.01 178.92 1rxs h ALA 1143N 1.15 0.57 -0.71 3.43 0.00 -0.87 -1.65 119.26 121.18 1rxs h ALA 1143Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1rxs h ALA 1143Cb 0.82 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1rxs h ALA 1143CO 0.07 0.26 0.47 0.00 0.00 0.00 0.00 179.25 180.04 1rxs h ALA 1144N 0.96 0.91 -0.85 0.00 0.00 -1.12 -2.23 119.26 116.93 1rxs h ALA 1144Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rxs h ALA 1144Cb 0.33 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1rxs h ALA 1144CO 0.00 0.31 0.44 -0.22 0.00 0.00 0.00 179.25 179.78 1rxs h LYS 1145N 0.95 1.21 0.00 0.00 1.63 -1.10 -1.74 116.57 117.52 1rxs h LYS 1145Ca 0.26 -0.16 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 1rxs h LYS 1145Cb -0.09 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 1rxs h LYS 1145CO -0.06 0.90 -0.35 0.66 -3.45 0.00 0.00 179.45 177.15 1rxs h SER 1146N 1.20 0.00 -0.02 4.20 4.64 -0.71 -2.77 113.55 120.09 1rxs h SER 1146Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1rxs h SER 1146Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1rxs h SER 1146CO -0.04 0.35 -0.16 2.30 -0.87 0.00 0.00 176.83 178.40 1rxs n ILE 1147N -3.62 0.00 -1.70 0.95 -6.64 -0.98 -5.00 119.36 102.36 1rxs n ILE 1147Ca -0.01 -0.42 -0.05 0.00 -1.77 0.00 0.00 62.75 60.51 1rxs n ILE 1147Cb 0.46 1.33 -0.01 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 1.16 0.41 3.77 3.28 0.00 -0.68 -5.03 105.19 108.11 1rxs n GLY 1148Ca 0.10 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.21 3.12 -0.10 4.61 0.00 -1.05 -5.00 121.76 121.13 1rxs s ALA 1149Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 1rxs s ALA 1149Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1rxs s ALA 1149CO 0.00 -0.33 1.23 0.95 0.00 0.00 0.00 175.76 177.62 1rxs s THR 1150N -1.53 4.25 0.04 0.00 -4.23 -1.26 -4.75 115.64 108.16 1rxs s THR 1150Ca 0.57 1.55 0.08 0.00 -1.18 0.00 0.00 61.69 62.71 1rxs s THR 1150Cb -0.26 -4.00 -0.03 0.00 1.34 0.00 0.00 72.50 69.56 1rxs s THR 1150CO 0.32 -0.06 -0.24 -0.89 -0.54 0.00 0.00 174.62 173.21 1rxs s THR 1151N 2.79 1.92 -0.04 3.99 2.01 -1.26 -1.40 115.64 123.65 1rxs s THR 1151Ca 0.56 -1.30 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1rxs s THR 1151Cb -0.23 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1rxs s THR 1151CO 0.19 0.29 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.21 1rxs s HIS 1152N -0.80 1.96 -0.14 4.92 3.76 0.16 -4.95 115.29 120.20 1rxs s HIS 1152Ca 0.10 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.48 1rxs s HIS 1152Cb -0.09 -1.30 0.01 0.00 1.11 0.00 0.00 32.58 32.31 1rxs s HIS 1152CO 0.02 -0.16 -0.20 0.08 -0.85 0.00 0.00 174.74 173.63 1rxs s VAL 1153N -0.09 1.91 -1.95 -0.90 1.01 -1.26 -0.78 120.40 118.35 1rxs s VAL 1153Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1rxs s VAL 1153Cb -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1rxs s VAL 1153CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1rxs n GLY 1154N 4.22 -0.61 3.82 4.51 0.00 -0.76 -4.96 105.19 111.40 1rxs n GLY 1154Ca -0.20 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.48 4.88 0.01 1.61 1.01 -1.26 -0.71 120.40 122.46 1rxs s VAL 1155Ca 0.00 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.11 1rxs s VAL 1155Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1rxs s VAL 1155CO 0.00 0.55 -0.24 -0.89 0.00 0.00 0.00 175.10 174.53 1rxs s THR 1156N -0.99 2.32 -0.24 3.92 2.01 -0.86 -0.40 115.64 121.40 1rxs s THR 1156Ca 0.27 -1.18 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 1rxs s THR 1156Cb -0.18 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1rxs s THR 1156CO 0.16 0.47 0.33 0.00 -0.69 0.00 0.00 174.62 174.89 1rxs s ALA 1157N -0.75 3.57 -0.32 7.40 0.00 0.15 -0.10 121.76 131.71 1rxs s ALA 1157Ca 0.12 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1rxs s ALA 1157Cb -0.10 -2.60 0.06 0.00 0.00 0.00 0.00 23.12 20.48 1rxs s ALA 1157CO 0.01 -0.44 0.04 0.45 0.00 0.00 0.00 175.76 175.82 1rxs s SER 1158N 1.33 4.98 -0.10 0.00 0.15 -0.61 -1.93 113.70 117.54 1rxs s SER 1158Ca 0.14 -1.40 -0.01 0.00 0.70 0.00 0.00 55.95 55.39 1rxs s SER 1158Cb -0.15 -1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 1rxs s SER 1158CO 0.08 -0.31 -0.04 -0.55 1.20 0.00 0.00 173.24 173.62 1rxs s SER 1159N 1.35 4.82 0.00 5.45 0.15 0.47 -0.85 113.70 125.09 1rxs s SER 1159Ca -0.02 -0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.71 1rxs s SER 1159Cb -0.20 -1.41 0.49 0.00 -1.71 0.00 0.00 66.02 63.19 1rxs s SER 1159CO -0.01 0.31 1.23 0.47 1.20 0.00 0.00 173.24 176.44 1rxs n ASP 1160N 2.56 0.00 -4.13 5.45 10.43 -0.64 -4.37 116.55 125.86 1rxs n ASP 1160Ca -0.18 0.22 -0.13 0.00 2.57 0.00 0.00 54.79 57.27 1rxs n ASP 1160Cb 0.53 -0.33 -0.11 0.00 1.84 0.00 0.00 41.12 43.05 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 -2.67 0.72 0.02 -3.53 -4.23 -1.26 -5.01 115.64 99.68 1rxs s THR 1161Ca 0.08 -1.45 0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1rxs s THR 1161Cb 0.07 -1.10 -0.23 0.00 1.34 0.00 0.00 72.50 72.58 1rxs s THR 1161CO 0.16 -0.54 0.89 0.15 -0.54 0.00 0.00 174.62 174.74 1rxs h PHE 1162N 3.86 0.08 0.00 3.99 3.57 -1.97 -3.38 116.94 123.10 1rxs h PHE 1162Ca -0.36 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1rxs h PHE 1162Cb 1.19 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1rxs h PHE 1162CO 0.63 1.08 0.00 0.66 -2.23 0.00 0.00 178.31 178.45 1rxs n TYR 1163N -3.22 0.00 -0.18 0.41 4.02 -1.26 -4.30 117.16 112.63 1rxs n TYR 1163Ca -0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.72 1rxs n TYR 1163Cb 1.01 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.45 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 0.95 0.00 -0.72 0.13 -1.87 0.10 132.00 130.60 1rxs h PRO 1164Ca 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1rxs h PRO 1164Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 1rxs h PRO 1164CO 0.00 0.89 0.00 0.78 -0.23 0.00 0.00 178.00 179.44 1rxs h GLY 1165N 1.02 0.00 -2.23 1.56 0.00 -1.86 0.40 103.07 101.97 1rxs h GLY 1165Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1rxs h GLY 1165CO 0.01 0.00 0.04 -1.06 0.00 0.00 0.00 176.54 175.53 1rxs n GLN 1166N -2.91 3.06 -4.12 4.80 6.02 -0.90 -4.92 117.38 118.39 1rxs n GLN 1166Ca -0.01 -2.98 -0.29 0.00 -0.01 0.00 0.00 57.00 53.72 1rxs n GLN 1166Cb 0.20 -1.95 -0.06 0.00 1.02 0.00 0.00 30.24 29.45 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 -0.46 -2.07 -3.12 -1.09 2.13 0.13 -4.94 120.64 111.22 1rxs n GLU 1167Ca 0.28 0.25 -0.39 0.00 0.66 0.00 0.00 57.16 57.95 1rxs n GLU 1167Cb 1.04 -4.02 -0.05 0.00 0.27 0.00 0.00 31.44 28.68 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 -6.96 4.37 -0.01 5.31 0.52 0.31 -4.96 118.95 117.53 1rxs s ARG 1168Ca 0.02 0.74 0.20 0.00 -0.52 0.00 0.00 55.73 56.17 1rxs s ARG 1168Cb -0.01 -3.47 -0.26 0.00 0.52 0.00 0.00 34.95 31.73 1rxs s ARG 1168CO 0.94 0.02 0.73 0.66 0.02 0.00 0.00 175.30 177.67 1rxs n TYR 1169N 4.03 0.00 -2.48 -0.53 4.01 -1.26 -4.45 117.16 116.48 1rxs n TYR 1169Ca -0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 1rxs n TYR 1169Cb 0.51 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.73 4.94 -3.31 7.72 4.64 -1.26 -4.10 116.55 123.44 1rxs n ASP 1170Ca 0.01 -3.00 -0.20 0.00 -1.38 0.00 0.00 54.79 50.22 1rxs n ASP 1170Cb 0.39 -1.57 -0.08 0.00 -1.04 0.00 0.00 41.12 38.83 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 4.41 0.00 -0.12 5.18 -2.24 -1.26 -5.01 114.28 115.24 1rxs n THR 1171Ca 0.42 -2.42 -0.06 0.00 -2.27 0.00 0.00 64.05 59.72 1rxs n THR 1171Cb 0.40 1.17 0.02 0.00 -2.10 0.00 0.00 70.33 69.82 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 2.02 0.31 0.00 4.78 5.03 -1.98 -2.98 116.97 124.14 1rxs h TYR 1172Ca -0.24 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 60.97 1rxs h TYR 1172Cb 1.20 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.37 1rxs h TYR 1172CO 0.00 0.15 -1.22 0.66 -1.32 0.00 0.00 178.16 176.43 1rxs h SER 1173N 0.35 0.00 -0.56 -2.11 4.64 -1.97 -3.47 113.55 110.43 1rxs h SER 1173Ca 0.17 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.25 1rxs h SER 1173Cb 0.11 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.10 1rxs h SER 1173CO -0.14 0.40 -0.22 0.61 -0.87 0.00 0.00 176.83 176.61 1rxs n GLY 1174N 1.32 1.28 3.07 -0.77 0.00 -1.13 -4.98 105.19 103.99 1rxs n GLY 1174Ca -0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.96 0.57 -0.07 1.61 1.70 -1.26 -4.91 118.95 113.62 1rxs s ARG 1175Ca 0.00 -1.02 0.05 0.00 -0.47 0.00 0.00 55.73 54.28 1rxs s ARG 1175Cb 0.00 0.03 -0.00 0.00 -0.57 0.00 0.00 34.95 34.41 1rxs s ARG 1175CO 0.00 -0.05 -0.21 0.08 -1.08 0.00 0.00 175.30 174.04 1rxs s VAL 1176N -2.88 1.77 0.37 4.99 1.01 -1.26 -4.93 120.40 119.48 1rxs s VAL 1176Ca -0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 1rxs s VAL 1176Cb 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 36.38 34.75 1rxs s VAL 1176CO -0.05 0.50 1.12 0.55 0.00 0.00 0.00 175.10 177.21 1rxs n VAL 1177N 3.26 2.26 -0.32 2.92 3.14 -1.26 -4.65 118.33 123.68 1rxs n VAL 1177Ca -0.19 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 60.81 1rxs n VAL 1177Cb 0.52 -1.28 0.24 0.00 -1.06 0.00 0.00 33.84 32.26 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 1.96 0.05 -0.64 1.45 2.43 -1.99 0.20 114.38 117.84 1rxs h ARG 1178Ca -0.44 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 58.90 1rxs h ARG 1178Cb 1.32 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1rxs h ARG 1178CO 0.59 0.03 0.46 1.25 -1.51 0.00 0.00 179.97 180.79 1rxs h HIS 1179N 0.05 0.04 -0.01 2.20 2.76 -2.03 -2.62 115.15 115.55 1rxs h HIS 1179Ca 0.54 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 1rxs h HIS 1179Cb 1.05 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1rxs h HIS 1179CO -0.48 0.02 -0.47 1.19 -1.30 0.00 0.00 177.93 176.89 1rxs n PHE 1180N -4.36 0.00 -1.95 5.26 3.01 0.69 -4.80 117.46 115.31 1rxs n PHE 1180Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 1rxs n PHE 1180Cb 0.69 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.13 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 -2.16 4.20 0.00 -1.08 2.20 -0.99 -0.90 119.74 121.01 1rxs s LYS 1181Ca 0.12 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 1rxs s LYS 1181Cb 0.14 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1rxs s LYS 1181CO 0.50 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1rxs n GLY 1182N 3.98 0.44 0.16 5.54 0.00 -1.26 -4.93 105.19 109.12 1rxs n GLY 1182Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.30 -0.43 1.61 4.64 -1.33 -3.05 113.55 115.29 1rxs h SER 1183Ca 0.00 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1rxs h SER 1183Cb 0.18 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1rxs h SER 1183CO 0.00 0.91 0.11 -0.03 -0.87 0.00 0.00 176.83 176.95 1rxs h MET 1184N 0.17 0.68 -0.97 4.77 -1.53 -1.92 -1.52 114.93 114.61 1rxs h MET 1184Ca -0.02 -0.16 0.05 0.00 -3.44 0.00 0.00 59.70 56.13 1rxs h MET 1184Cb 1.27 -0.09 -0.06 0.00 -0.55 0.00 0.00 31.60 32.16 1rxs h MET 1184CO 0.11 0.69 0.63 1.49 0.14 0.00 0.00 176.91 179.97 1rxs h GLU 1185N 0.55 1.15 0.06 0.39 4.81 -1.96 0.34 114.58 119.93 1rxs h GLU 1185Ca 0.13 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1rxs h GLU 1185Cb 0.31 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1rxs h GLU 1185CO 0.00 0.76 -0.03 0.93 -0.73 0.00 0.00 179.01 179.95 1rxs h GLU 1186N 1.19 -0.07 -0.84 1.92 4.39 -1.32 -1.50 114.58 118.35 1rxs h GLU 1186Ca 0.40 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.11 1rxs h GLU 1186Cb 0.08 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1rxs h GLU 1186CO -0.15 0.07 0.54 -1.49 -1.16 0.00 0.00 179.01 176.83 1rxs h TRP 1187N -0.20 1.06 -0.28 4.33 -0.00 -1.04 -1.39 115.95 118.43 1rxs h TRP 1187Ca -0.01 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.97 1rxs h TRP 1187Cb 0.18 -0.36 -0.07 0.00 -0.00 0.00 0.00 29.16 28.91 1rxs h TRP 1187CO -0.03 0.68 -0.23 0.37 -0.00 0.00 0.00 178.44 179.23 1rxs h GLN 1188N 1.14 -0.21 0.00 0.49 4.15 -0.82 -0.75 115.11 119.11 1rxs h GLN 1188Ca 0.31 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.70 1rxs h GLN 1188Cb -0.11 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1rxs h GLN 1188CO -0.06 -0.14 -0.18 0.00 -1.93 0.00 0.00 178.83 176.52 1rxs h ALA 1189N 0.89 1.42 -0.14 3.38 0.00 -0.64 -1.93 119.26 122.24 1rxs h ALA 1189Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1189Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rxs h ALA 1189CO -0.41 0.22 0.00 -1.33 0.00 0.00 0.00 179.25 177.73 1rxs n MET 1190N -3.91 1.64 -0.54 0.00 2.81 -0.58 -4.90 117.12 111.64 1rxs n MET 1190Ca -0.02 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.91 1rxs n MET 1190Cb 0.27 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.09 0.74 3.76 3.03 0.00 -0.73 -5.02 105.19 108.06 1rxs n GLY 1191Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.30 2.34 -0.00 1.61 1.01 -0.37 -4.66 120.40 118.02 1rxs s VAL 1192Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1rxs s VAL 1192Cb 0.00 -3.19 -0.32 0.00 0.00 0.00 0.00 36.38 32.87 1rxs s VAL 1192CO 0.00 0.05 0.84 0.24 0.00 0.00 0.00 175.10 176.24 1rxs h MET 1193N 4.46 0.42 -2.41 2.72 0.00 -1.05 -3.41 114.93 115.65 1rxs h MET 1193Ca -0.47 -0.72 0.16 0.00 0.00 0.00 0.00 59.70 58.66 1rxs h MET 1193Cb 1.22 0.27 -0.09 0.00 0.00 0.00 0.00 31.60 33.00 1rxs h MET 1193CO 0.75 1.33 0.45 0.54 0.00 0.00 0.00 176.91 179.98 1rxs s ASN 1194N -7.35 -0.21 -0.03 1.22 4.22 -1.26 -0.15 114.94 111.38 1rxs s ASN 1194Ca -0.12 -0.37 0.03 0.00 -2.14 0.00 0.00 52.86 50.26 1rxs s ASN 1194Cb 0.05 0.50 -0.03 0.00 1.28 0.00 0.00 41.25 43.05 1rxs s ASN 1194CO 0.89 -0.92 -0.09 -0.31 -2.04 0.00 0.00 177.10 174.63 1rxs s TYR 1195N -3.34 2.85 0.00 1.54 1.51 -0.96 -0.67 117.35 118.28 1rxs s TYR 1195Ca 0.11 -0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1rxs s TYR 1195Cb -0.02 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1rxs s TYR 1195CO 0.01 0.32 0.00 -0.85 -1.11 0.00 0.00 175.55 173.92 1rxs n GLU 1196N 1.93 0.00 -0.05 -0.62 -0.00 -0.81 -3.55 120.64 117.54 1rxs n GLU 1196Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.01 1rxs n GLU 1196Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.99 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 1.86 0.00 3.44 2.81 -1.26 -0.40 117.12 123.57 1rxs n MET 1197Ca 0.00 -1.44 0.00 0.00 -1.81 0.00 0.00 57.70 54.45 1rxs n MET 1197Cb 0.00 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 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 -0.52 3.87 -0.06 0.03 4.71 -1.26 -3.47 120.64 123.94 1rxs n GLU 1198Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.12 1rxs n GLU 1198Cb 0.40 -0.64 0.14 0.00 -1.01 0.00 0.00 31.44 30.32 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 0.68 -0.46 1.62 4.64 -1.94 -1.24 113.55 116.85 1rxs h SER 1199Ca 0.00 -0.23 0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1rxs h SER 1199Cb 0.04 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 1rxs h SER 1199CO 0.00 0.88 0.20 0.00 -0.87 0.00 0.00 176.83 177.04 1rxs h ALA 1200N 1.18 0.57 -0.09 5.18 0.00 -1.86 0.33 119.26 124.57 1rxs h ALA 1200Ca 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1rxs h ALA 1200Cb 0.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rxs h ALA 1200CO 0.05 -0.17 -0.02 1.15 0.00 0.00 0.00 179.25 180.27 1rxs h THR 1201N 0.41 1.28 0.13 0.00 2.02 -1.85 -1.75 112.91 113.14 1rxs h THR 1201Ca 0.21 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1rxs h THR 1201Cb 0.16 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1rxs h THR 1201CO -0.18 0.25 -0.06 0.25 0.37 0.00 0.00 175.52 176.16 1rxs h LEU 1202N -0.14 -0.14 -0.65 2.58 5.85 -0.83 -1.07 115.31 120.91 1rxs h LEU 1202Ca 0.02 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1rxs h LEU 1202Cb 0.41 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1rxs h LEU 1202CO 0.01 -0.06 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.69 1rxs h LEU 1203N -0.22 0.77 -0.19 2.25 3.38 -0.39 -1.55 115.31 119.37 1rxs h LEU 1203Ca -0.02 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1rxs h LEU 1203Cb 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1rxs h LEU 1203CO 0.03 1.01 -0.14 0.74 0.09 0.00 0.00 178.44 180.17 1rxs h THR 1204N 0.64 1.32 -0.12 0.22 2.02 -1.19 -0.56 112.91 115.25 1rxs h THR 1204Ca 0.08 -1.26 -0.10 0.00 0.77 0.00 0.00 66.41 65.90 1rxs h THR 1204Cb 0.81 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1rxs h THR 1204CO 0.07 0.38 -0.37 0.00 0.37 0.00 0.00 175.52 175.97 1rxs h MET 1205N 0.09 0.24 0.07 6.66 -0.00 -1.08 -2.11 114.93 118.80 1rxs h MET 1205Ca 0.04 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1rxs h MET 1205Cb 0.66 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.25 1rxs h MET 1205CO 0.04 0.58 -0.03 0.00 -0.00 0.00 0.00 176.91 177.49 1rxs h ALA 1207N -0.06 1.67 -0.26 0.00 0.00 -1.04 -0.41 119.26 119.15 1rxs h ALA 1207Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1207Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1rxs h ALA 1207CO 0.02 -0.21 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 1rxs n SER 1208N -3.72 3.26 -0.34 0.00 3.41 -0.80 -4.23 113.62 111.20 1rxs n SER 1208Ca 0.00 -1.99 0.03 0.00 -0.26 0.00 0.00 58.87 56.65 1rxs n SER 1208Cb 0.25 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 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 1.42 0.45 -1.35 4.33 6.02 -0.28 -5.00 117.38 122.97 1rxs n GLN 1209Ca 0.18 -1.47 -0.09 0.00 -0.01 0.00 0.00 57.00 55.61 1rxs n GLN 1209Cb 0.60 -0.81 -0.04 0.00 1.02 0.00 0.00 30.24 31.01 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 -0.45 0.97 3.79 1.08 0.00 -0.96 -5.00 105.19 104.63 1rxs n GLY 1210Ca 0.05 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.12 3.93 -0.10 0.99 1.43 -0.53 -5.04 118.68 117.23 1rxs s LEU 1211Ca 0.00 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 1rxs s LEU 1211Cb 0.00 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1rxs s LEU 1211CO 0.00 0.26 0.50 -0.13 0.23 0.00 0.00 176.35 177.21 1rxs s ARG 1212N -1.80 4.31 0.01 1.70 0.52 -0.50 -3.87 118.95 119.32 1rxs s ARG 1212Ca 0.24 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 1rxs s ARG 1212Cb -0.12 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1rxs s ARG 1212CO 0.15 0.21 -0.02 0.00 0.02 0.00 0.00 175.30 175.66 1rxs s ALA 1213N 0.43 0.10 0.11 2.13 0.00 -1.26 0.10 121.76 123.37 1rxs s ALA 1213Ca 0.27 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1rxs s ALA 1213Cb -0.16 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1rxs s ALA 1213CO 0.12 -0.10 -0.01 0.20 0.00 0.00 0.00 175.76 175.97 1rxs s GLY 1214N -1.00 0.83 -0.02 0.00 0.00 -0.53 -0.53 107.32 106.07 1rxs s GLY 1214Ca -0.11 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.23 1rxs s GLY 1214CO -0.01 -1.40 -0.01 1.06 0.00 0.00 0.00 173.10 172.74 1rxs s MET 1215N -3.94 0.33 -0.02 2.90 -1.94 -1.26 -1.32 119.30 114.04 1rxs s MET 1215Ca 0.16 -0.00 -0.02 0.00 -1.71 0.00 0.00 55.69 54.12 1rxs s MET 1215Cb 0.07 -0.43 0.01 0.00 2.01 0.00 0.00 34.83 36.48 1rxs s MET 1215CO -0.03 -0.06 0.06 0.54 -0.01 0.00 0.00 175.02 175.52 1rxs s VAL 1216N 0.64 0.00 -0.03 -6.03 0.11 -0.32 -2.40 120.40 112.38 1rxs s VAL 1216Ca -0.07 -0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 1rxs s VAL 1216Cb -0.10 -0.10 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 1rxs s VAL 1216CO -0.01 -0.02 0.20 0.00 -3.33 0.00 0.00 175.10 171.95 1rxs s ALA 1217N -0.02 -0.50 -0.04 1.54 0.00 -0.01 -1.13 121.76 121.61 1rxs s ALA 1217Ca -0.01 0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 1rxs s ALA 1217Cb -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1rxs s ALA 1217CO 0.00 -0.19 0.34 0.20 0.00 0.00 0.00 175.76 176.11 1rxs s GLY 1218N -0.95 2.39 -0.30 0.00 0.00 -0.72 0.05 107.32 107.79 1rxs s GLY 1218Ca -0.10 -0.33 -0.27 0.00 0.00 0.00 0.00 44.72 44.01 1rxs s GLY 1218CO 0.02 0.04 0.98 0.14 0.00 0.00 0.00 173.10 174.28 1rxs s VAL 1219N -0.98 4.62 -0.06 1.40 1.01 -0.84 -1.71 120.40 123.83 1rxs s VAL 1219Ca 0.21 1.61 0.19 0.00 0.00 0.00 0.00 61.98 63.99 1rxs s VAL 1219Cb -0.15 -4.32 -0.28 0.00 0.00 0.00 0.00 36.38 31.62 1rxs s VAL 1219CO 0.11 -0.37 0.34 2.30 0.00 0.00 0.00 175.10 177.47 1rxs n ILE 1220N 5.70 0.29 -3.75 2.22 -5.35 -0.40 -1.86 119.36 116.20 1rxs n ILE 1220Ca 0.09 -0.52 -0.12 0.00 -0.27 0.00 0.00 62.75 61.94 1rxs n ILE 1220Cb 0.47 -0.08 -0.08 0.00 -1.74 0.00 0.00 39.64 38.22 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 -3.13 0.07 -0.24 7.28 0.11 -1.24 -4.96 120.40 118.30 1rxs s VAL 1221Ca -0.08 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.35 1rxs s VAL 1221Cb 0.11 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1rxs s VAL 1221CO 0.79 -0.33 -0.05 0.21 -3.33 0.00 0.00 175.10 172.39 1rxs s ASN 1222N -1.82 4.29 0.64 3.54 3.84 -1.26 -1.31 114.94 122.86 1rxs s ASN 1222Ca -0.08 -0.68 0.43 0.00 0.21 0.00 0.00 52.86 52.75 1rxs s ASN 1222Cb -0.02 -1.70 2.30 0.00 -0.55 0.00 0.00 41.25 41.28 1rxs s ASN 1222CO -0.01 -0.09 2.31 0.03 -2.79 0.00 0.00 177.10 176.56 1rxs h ARG 1223N 8.06 0.00 0.00 0.43 2.47 -1.30 -2.25 114.38 121.80 1rxs h ARG 1223Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1rxs h ARG 1223Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1rxs h ARG 1223CO 0.59 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.37 1rxs n THR 1224N -3.04 0.00 0.00 2.04 -2.24 -1.26 -3.40 114.28 106.38 1rxs n THR 1224Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1rxs n THR 1224Cb 0.09 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.70 2.82 -3.64 -0.78 10.64 -0.86 -5.10 117.38 119.76 1rxs n GLN 1225Ca 0.08 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.10 1rxs n GLN 1225Cb 0.04 -0.68 -0.07 0.00 -0.86 0.00 0.00 30.24 28.67 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 -0.99 0.88 -0.10 2.61 -0.21 -1.10 -5.09 119.66 115.66 1rxs s GLN 1226Ca 0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 55.36 55.23 1rxs s GLN 1226Cb 0.00 0.40 -0.02 0.00 1.00 0.00 0.00 33.01 34.39 1rxs s GLN 1226CO 0.00 -0.28 -0.12 0.93 -2.12 0.00 0.00 175.29 173.70 1rxs h GLU 1227N 3.31 0.00 -6.01 2.91 5.08 -1.88 -3.32 114.58 114.68 1rxs h GLU 1227Ca -0.29 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.49 1rxs h GLU 1227Cb 1.17 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1rxs h GLU 1227CO 0.40 0.00 0.41 0.42 -1.00 0.00 0.00 179.01 179.25 1rxs s ILE 1228N -1.89 4.87 0.05 3.13 -1.09 -1.26 -4.96 121.20 120.06 1rxs s ILE 1228Ca -0.10 1.70 -0.01 0.00 -2.23 0.00 0.00 60.65 60.01 1rxs s ILE 1228Cb 0.01 -4.17 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1rxs s ILE 1228CO 0.15 0.03 0.03 -2.65 -1.23 0.00 0.00 174.94 171.27 1rxs n PRO 1229N 5.14 -1.28 0.00 2.79 -0.02 -1.26 -5.10 135.00 135.27 1rxs n PRO 1229Ca 0.05 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1rxs n PRO 1229Cb 0.49 -0.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 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 -1.70 0.00 0.23 -0.52 0.00 -1.26 -5.08 117.12 108.80 1rxs n MET 1234Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.81 1rxs n MET 1234Cb 0.02 0.00 0.52 0.00 0.00 0.00 0.00 33.22 33.76 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 -2.92 116.57 117.40 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 0.21 -0.13 1.96 -2.27 0.00 0.00 179.45 179.22 1rxs h GLN 1236N 0.00 0.00 -0.02 1.90 4.20 -2.03 -2.97 115.11 116.19 1rxs h GLN 1236Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1rxs h GLN 1236Cb 0.65 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.44 1rxs h GLN 1236CO 0.03 0.00 -0.41 1.15 -0.67 0.00 0.00 178.83 178.93 1rxs h THR 1237N 0.00 1.47 0.00 -0.54 2.02 -1.87 -2.68 112.91 111.31 1rxs h THR 1237Ca 0.00 -1.94 -0.07 0.00 0.77 0.00 0.00 66.41 65.17 1rxs h THR 1237Cb 0.84 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 1rxs h THR 1237CO 0.00 0.55 -0.35 1.05 0.37 0.00 0.00 175.52 177.14 1rxs h GLU 1238N -0.25 0.00 -0.45 6.66 4.11 -1.66 -2.41 114.58 120.59 1rxs h GLU 1238Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1rxs h GLU 1238Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1rxs h GLU 1238CO 0.08 0.35 0.18 0.77 0.07 0.00 0.00 179.01 180.46 1rxs h SER 1239N 0.00 0.58 0.22 3.06 0.02 -1.56 0.62 113.55 116.48 1rxs h SER 1239Ca -0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1rxs h SER 1239Cb 1.01 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1rxs h SER 1239CO 0.05 0.52 -0.11 0.45 -1.14 0.00 0.00 176.83 176.60 1rxs h HIS 1240N 0.63 -0.28 -0.68 3.45 3.86 -1.11 -2.07 115.15 118.96 1rxs h HIS 1240Ca 0.16 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1rxs h HIS 1240Cb 0.13 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 1rxs h HIS 1240CO 0.01 0.09 0.45 0.00 0.86 0.00 0.00 177.93 179.33 1rxs h ALA 1241N -0.07 0.86 -0.12 2.45 0.00 -1.36 0.53 119.26 121.56 1rxs h ALA 1241Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1rxs h ALA 1241Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rxs h ALA 1241CO 0.05 0.27 0.04 0.28 0.00 0.00 0.00 179.25 179.89 1rxs h VAL 1242N 0.90 1.17 -0.57 0.00 2.07 -0.93 0.27 116.25 119.16 1rxs h VAL 1242Ca 0.25 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 67.38 1rxs h VAL 1242Cb -0.08 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 30.87 1rxs h VAL 1242CO -0.06 0.15 -0.00 0.50 0.02 0.00 0.00 177.57 178.18 1rxs h LYS 1243N 0.02 0.11 -0.61 1.57 3.64 -1.04 -1.46 116.57 118.79 1rxs h LYS 1243Ca 0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1rxs h LYS 1243Cb 0.20 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1rxs h LYS 1243CO -0.00 0.08 0.37 0.82 -2.27 0.00 0.00 179.45 178.44 1rxs h ILE 1244N 0.12 1.18 -0.27 2.00 2.04 -0.33 -1.28 117.51 120.97 1rxs h ILE 1244Ca 0.30 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1rxs h ILE 1244Cb 0.47 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1rxs h ILE 1244CO -0.49 0.18 -0.31 1.62 0.00 0.00 0.00 178.15 179.16 1rxs h VAL 1245N 0.82 1.28 -0.26 1.67 3.04 -0.28 0.26 116.25 122.78 1rxs h VAL 1245Ca 0.22 -1.40 -0.13 0.00 -1.01 0.00 0.00 66.70 64.38 1rxs h VAL 1245Cb -0.03 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1rxs h VAL 1245CO -0.04 0.45 -0.36 0.58 -1.01 0.00 0.00 177.57 177.19 1rxs h VAL 1246N 0.47 1.31 -0.27 1.51 2.07 -1.11 -0.67 116.25 119.56 1rxs h VAL 1246Ca 0.06 -1.55 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 1rxs h VAL 1246Cb 0.77 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1rxs h VAL 1246CO 0.06 0.49 -0.19 -0.08 0.02 0.00 0.00 177.57 177.87 1rxs h GLU 1247N 0.44 0.48 -0.28 1.57 4.57 -0.99 -1.29 114.58 119.07 1rxs h GLU 1247Ca 0.03 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1rxs h GLU 1247Cb 0.94 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1rxs h GLU 1247CO 0.08 0.65 0.02 0.00 -1.18 0.00 0.00 179.01 178.58 1rxs h ALA 1248N 1.37 0.37 -0.66 2.92 0.00 -0.76 -2.74 119.26 119.76 1rxs h ALA 1248Ca 0.07 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1248Cb 0.58 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1rxs h ALA 1248CO 0.04 0.09 0.12 0.00 0.00 0.00 0.00 179.25 179.51 1rxs h ALA 1249N 0.84 0.79 -0.72 0.00 0.00 -0.74 -0.55 119.26 118.87 1rxs h ALA 1249Ca 0.08 0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1rxs h ALA 1249Cb 0.39 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1rxs h ALA 1249CO 0.01 -0.33 0.20 -0.09 0.00 0.00 0.00 179.25 179.04 1rxs h ARG 1250N 0.24 0.30 0.00 0.00 2.43 -0.96 -1.54 114.38 114.86 1rxs h ARG 1250Ca 0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1rxs h ARG 1250Cb 0.57 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1rxs h ARG 1250CO -0.47 0.20 0.00 0.00 -1.51 0.00 0.00 179.97 178.19 1rxs h ARG 1251N 0.31 0.00 -0.43 0.20 3.08 -0.91 -3.20 114.38 113.43 1rxs h ARG 1251Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1rxs h ARG 1251Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1rxs h ARG 1251CO -0.47 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.71 1rxs n LEU 1252N -2.66 3.24 -0.03 3.04 4.77 -0.59 -5.06 117.00 119.70 1rxs n LEU 1252Ca 0.03 -1.45 0.16 0.00 -0.03 0.00 0.00 56.01 54.72 1rxs n LEU 1252Cb 0.38 -0.28 0.92 0.00 -2.33 0.00 0.00 43.42 42.11 1rxs n LEU 1252CO 0.28 0.73 1.09 0.18 -1.33 0.00 0.00 177.39 178.34