#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 -3.83 -3.46 3.32 -1.31 -3.47 116.42 107.66 1rxs h ASP 1005Ca 0.00 -0.08 -0.53 0.00 0.02 0.00 0.00 57.03 56.44 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 0.04 -0.80 0.68 -1.72 0.00 0.00 179.24 177.44 1rxs s VAL 1006N -3.27 1.76 0.17 -1.35 -7.23 -1.23 -5.06 120.40 104.20 1rxs s VAL 1006Ca 0.03 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1rxs s VAL 1006Cb 0.10 -1.71 -0.10 0.00 0.56 0.00 0.00 36.38 35.23 1rxs s VAL 1006CO 0.75 -0.21 1.43 0.15 -0.31 0.00 0.00 175.10 176.92 1rxs h PHE 1007N 3.61 0.60 0.00 2.82 3.57 -1.95 -3.35 116.94 122.25 1rxs h PHE 1007Ca -0.44 -0.26 -0.32 0.00 3.53 0.00 0.00 57.97 60.48 1rxs h PHE 1007Cb 1.19 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 1rxs h PHE 1007CO 0.65 1.01 -2.16 0.72 -2.23 0.00 0.00 178.31 176.30 1rxs n HIS 1008N -3.86 0.00 0.27 0.41 8.25 -1.26 -4.63 115.22 114.40 1rxs n HIS 1008Ca -0.04 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.58 1rxs n HIS 1008Cb 0.70 -0.77 0.60 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.31 0.00 -1.67 2.41 3.38 -1.93 -3.45 115.31 113.75 1rxs h LEU 1009Ca -0.49 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.18 1rxs h LEU 1009Cb 1.61 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.51 1rxs h LEU 1009CO -0.17 0.02 -0.71 0.61 0.09 0.00 0.00 178.44 178.28 1rxs n GLY 1010N 0.18 -0.30 3.28 0.83 0.00 -1.26 -4.62 105.19 103.30 1rxs n GLY 1010Ca 0.01 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -6.04 2.50 0.19 0.99 1.43 -1.26 -4.78 118.68 111.70 1rxs s LEU 1011Ca 0.01 -0.95 0.11 0.00 -1.03 0.00 0.00 54.13 52.27 1rxs s LEU 1011Cb -0.00 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 1rxs s LEU 1011CO 0.67 -0.20 -0.19 0.42 0.23 0.00 0.00 176.35 177.28 1rxs s THR 1012N -2.78 2.64 0.33 5.49 -4.23 -1.26 -0.74 115.64 115.08 1rxs s THR 1012Ca 0.16 -1.89 0.10 0.00 -1.18 0.00 0.00 61.69 58.88 1rxs s THR 1012Cb -0.01 -2.28 0.32 0.00 1.34 0.00 0.00 72.50 71.87 1rxs s THR 1012CO 0.04 -0.10 1.75 0.50 -0.54 0.00 0.00 174.62 176.26 1rxs h LYS 1013N 3.13 0.58 -0.81 3.99 3.64 -1.96 0.59 116.57 125.74 1rxs h LYS 1013Ca -0.47 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1rxs h LYS 1013Cb 1.21 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 1rxs h LYS 1013CO 0.50 0.39 0.49 -0.97 -2.27 0.00 0.00 179.45 177.58 1rxs h ASN 1014N 0.60 0.75 -0.40 4.20 -0.73 -1.95 -2.66 115.58 115.40 1rxs h ASN 1014Ca 0.62 0.02 0.11 0.00 1.87 0.00 0.00 56.30 58.93 1rxs h ASN 1014Cb 1.18 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.62 1rxs h ASN 1014CO -0.42 0.47 0.34 0.44 -0.37 0.00 0.00 177.43 177.90 1rxs h ASP 1015N 0.88 0.00 1.51 1.15 3.32 -1.27 -1.77 116.42 120.24 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 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1rxs h ASP 1015CO -0.18 0.00 -0.39 -0.07 -1.72 0.00 0.00 179.24 176.88 1rxs h LEU 1016N 0.00 0.00 -1.06 1.55 4.07 -1.54 -3.48 115.31 114.85 1rxs h LEU 1016Ca 0.19 -0.02 -0.52 0.00 0.08 0.00 0.00 57.88 57.61 1rxs h LEU 1016Cb 0.87 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.48 1rxs h LEU 1016CO -0.00 0.01 -0.80 0.00 -1.08 0.00 0.00 178.44 176.56 1rxs n GLN 1017N -2.79 -4.14 -0.87 1.13 6.02 -0.67 -1.41 117.38 114.66 1rxs n GLN 1017Ca 0.03 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1rxs n GLN 1017Cb 0.52 -5.25 0.00 0.00 1.02 0.00 0.00 30.24 26.52 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 -1.52 0.64 3.63 1.08 0.00 -1.26 -4.79 105.19 102.96 1rxs n GLY 1018Ca 0.06 0.00 -0.42 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 0.61 0.38 -0.52 4.61 0.00 -0.50 -4.92 120.51 120.17 1rxs n ALA 1019Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1rxs n ALA 1019Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 -0.10 0.00 -4.97 0.00 -2.24 -1.26 -4.34 114.28 101.37 1rxs n THR 1020Ca 0.08 -0.23 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 1rxs n THR 1020Cb 0.36 1.52 -0.16 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.04 1.99 -0.04 3.22 0.20 -1.26 0.39 118.68 123.15 1rxs s LEU 1021Ca 0.00 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.46 1rxs s LEU 1021Cb 0.00 -1.07 0.00 0.00 -0.43 0.00 0.00 46.19 44.70 1rxs s LEU 1021CO 0.00 0.21 -0.12 0.00 -0.29 0.00 0.00 176.35 176.15 1rxs s ALA 1022N -0.22 1.09 -0.21 5.97 0.00 -0.13 -1.84 121.76 126.43 1rxs s ALA 1022Ca 0.01 -0.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1rxs s ALA 1022Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1rxs s ALA 1022CO 0.01 0.17 0.43 0.42 0.00 0.00 0.00 175.76 176.79 1rxs s ILE 1023N 0.25 5.16 -0.53 0.00 1.01 0.02 -0.58 121.20 126.53 1rxs s ILE 1023Ca -0.05 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.39 1rxs s ILE 1023Cb -0.11 -3.76 0.13 0.00 0.01 0.00 0.00 42.46 38.74 1rxs s ILE 1023CO 0.01 0.21 0.27 0.68 0.00 0.00 0.00 174.94 176.12 1rxs s VAL 1024N 1.57 2.69 0.84 2.92 -7.23 0.12 -1.66 120.40 119.64 1rxs s VAL 1024Ca 0.20 -3.29 -0.12 0.00 -1.81 0.00 0.00 61.98 56.96 1rxs s VAL 1024Cb -0.15 -2.86 0.09 0.00 0.56 0.00 0.00 36.38 34.03 1rxs s VAL 1024CO 0.09 -0.80 1.14 -2.16 -0.31 0.00 0.00 175.10 173.05 1rxs s PRO 1025N -0.27 1.76 -0.00 4.82 0.04 -1.23 -3.41 135.00 136.70 1rxs s PRO 1025Ca 0.17 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.40 1rxs s PRO 1025Cb -0.25 -1.91 -0.32 0.00 0.04 0.00 0.00 34.50 32.06 1rxs s PRO 1025CO -0.00 -1.77 0.84 0.78 0.04 0.00 0.00 177.00 176.88 1rxs h GLY 1026N -1.19 0.47 -7.48 0.56 0.00 -1.85 -1.06 103.07 92.52 1rxs h GLY 1026Ca -0.48 -1.19 -0.64 0.00 0.00 0.00 0.00 47.33 45.02 1rxs h GLY 1026CO 0.63 1.05 -0.32 -0.35 0.00 0.00 0.00 176.54 177.55 1rxs s ASP 1027N -7.32 6.18 0.44 0.19 3.68 -1.26 -1.12 116.67 117.46 1rxs s ASP 1027Ca -0.12 0.08 0.23 0.00 2.13 0.00 0.00 52.55 54.88 1rxs s ASP 1027Cb 0.05 -2.19 1.23 0.00 -1.45 0.00 0.00 42.92 40.57 1rxs s ASP 1027CO 0.89 -0.19 1.79 1.55 0.13 0.00 0.00 175.17 179.34 1rxs h PRO 1028N 8.30 0.27 0.00 4.34 0.13 -1.90 -0.60 132.00 142.54 1rxs h PRO 1028Ca -0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1rxs h PRO 1028Cb 1.16 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1rxs h PRO 1028CO 0.63 0.18 0.00 -0.44 -0.23 0.00 0.00 178.00 178.14 1rxs h ASP 1029N 0.27 0.00 0.46 1.44 3.32 -1.95 -2.62 116.42 117.34 1rxs h ASP 1029Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 1rxs h ASP 1029Cb 1.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1rxs h ASP 1029CO -0.20 0.00 -0.68 -1.14 -1.72 0.00 0.00 179.24 175.50 1rxs n ARG 1030N -2.62 0.08 0.01 3.56 0.63 -0.24 -4.39 116.66 113.70 1rxs n ARG 1030Ca 0.02 0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.84 1rxs n ARG 1030Cb 0.31 -1.54 -0.07 0.00 0.45 0.00 0.00 32.46 31.61 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 1.12 -0.82 5.15 2.07 -1.45 -2.57 116.25 119.76 1rxs h VAL 1031Ca 0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1rxs h VAL 1031Cb 0.57 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1rxs h VAL 1031CO 0.00 0.10 0.47 -0.08 0.02 0.00 0.00 177.57 178.08 1rxs h GLU 1032N -0.10 1.13 -0.54 1.57 4.81 -1.77 -1.11 114.58 118.57 1rxs h GLU 1032Ca 0.01 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1rxs h GLU 1032Cb 0.15 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1rxs h GLU 1032CO -0.00 0.82 0.24 0.87 -0.73 0.00 0.00 179.01 180.21 1rxs h LYS 1033N 1.13 0.45 0.12 1.92 1.57 -1.75 -0.83 116.57 119.19 1rxs h LYS 1033Ca 0.29 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1rxs h LYS 1033Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1rxs h LYS 1033CO -0.05 0.30 -0.06 0.82 -0.57 0.00 0.00 179.45 179.89 1rxs h ILE 1034N 0.47 1.03 -0.93 1.86 2.04 -1.08 -3.04 117.51 117.86 1rxs h ILE 1034Ca 0.25 -0.63 0.15 0.00 1.00 0.00 0.00 64.86 65.63 1rxs h ILE 1034Cb 0.22 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 1rxs h ILE 1034CO -0.21 0.15 0.59 0.00 0.00 0.00 0.00 178.15 178.68 1rxs h ALA 1035N 0.37 1.77 0.00 1.87 0.00 -1.03 -1.12 119.26 121.11 1rxs h ALA 1035Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rxs h ALA 1035Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rxs h ALA 1035CO 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1rxs n ALA 1036N -2.41 1.26 1.40 0.00 0.00 -0.33 -1.07 120.51 119.36 1rxs n ALA 1036Ca 0.18 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.93 1rxs n ALA 1036Cb 0.46 -1.34 0.66 0.00 0.00 0.00 0.00 19.45 19.23 1rxs n ALA 1036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rxs n LEU 1037N -2.26 0.26 0.00 0.00 4.32 -0.42 -4.87 117.00 114.03 1rxs n LEU 1037Ca -0.00 0.13 -0.26 0.00 -0.02 0.00 0.00 56.01 55.86 1rxs n LEU 1037Cb 0.10 -0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 41.63 1rxs n LEU 1037CO 0.13 0.05 -0.11 0.23 -1.22 0.00 0.00 177.39 176.47 1rxs n MET 1038N -1.12 0.89 -3.31 3.23 2.81 -0.23 -5.13 117.12 114.25 1rxs n MET 1038Ca 0.14 -3.09 -0.31 0.00 -1.81 0.00 0.00 57.70 52.63 1rxs n MET 1038Cb 0.26 0.66 -0.04 0.00 -0.71 0.00 0.00 33.22 33.39 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 -3.52 6.57 -1.34 7.83 -0.00 -0.35 -4.54 116.67 121.32 1rxs s ASP 1039Ca 0.09 0.90 -0.06 0.00 -0.00 0.00 0.00 52.55 53.48 1rxs s ASP 1039Cb -0.01 -2.22 0.00 0.00 -0.00 0.00 0.00 42.92 40.69 1rxs s ASP 1039CO 0.06 -0.15 0.50 0.29 -0.00 0.00 0.00 175.17 175.87 1rxs n LYS 1040N -0.52 -2.64 -2.33 8.23 5.02 -1.26 -0.45 118.16 124.21 1rxs n LYS 1040Ca 0.00 0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 1rxs n LYS 1040Cb 0.53 -4.32 -0.03 0.00 -0.02 0.00 0.00 35.03 31.19 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 -6.49 4.41 -0.03 1.97 0.04 -1.26 -4.44 135.00 129.21 1rxs s PRO 1041Ca 0.13 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1rxs s PRO 1041Cb -0.05 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.23 1rxs s PRO 1041CO 0.89 -0.26 -0.00 0.08 0.04 0.00 0.00 177.00 177.74 1rxs s VAL 1042N 0.71 0.21 0.12 -0.36 1.01 0.04 -5.00 120.40 117.13 1rxs s VAL 1042Ca 0.59 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.32 1rxs s VAL 1042Cb -0.33 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.67 1rxs s VAL 1042CO 0.32 0.15 1.35 -0.75 0.00 0.00 0.00 175.10 176.17 1rxs s LYS 1043N 1.02 4.35 -0.26 2.72 2.20 -1.26 -1.03 119.74 127.47 1rxs s LYS 1043Ca -0.10 2.02 -0.14 0.00 -0.36 0.00 0.00 55.97 57.39 1rxs s LYS 1043Cb -0.14 -3.25 -0.14 0.00 -1.51 0.00 0.00 37.83 32.79 1rxs s LYS 1043CO -0.02 -0.38 -0.24 1.28 -0.36 0.00 0.00 175.35 175.63 1rxs n LEU 1044N 3.76 2.01 -3.61 5.43 4.77 0.90 -4.89 117.00 125.35 1rxs n LEU 1044Ca 0.10 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.33 1rxs n LEU 1044Cb 0.43 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1rxs n LEU 1044CO 0.58 0.55 0.58 0.00 -1.33 0.00 0.00 177.39 177.77 1rxs s ALA 1045N -2.48 -1.61 -0.27 -1.18 0.00 -0.99 -5.00 121.76 110.22 1rxs s ALA 1045Ca -0.37 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1rxs s ALA 1045Cb 0.13 0.68 0.16 0.00 0.00 0.00 0.00 23.12 24.09 1rxs s ALA 1045CO 0.52 -0.87 0.47 0.45 0.00 0.00 0.00 175.76 176.33 1rxs s SER 1046N -2.75 -0.41 -0.02 0.00 0.15 -1.26 -0.64 113.70 108.78 1rxs s SER 1046Ca 0.07 0.31 -0.00 0.00 0.70 0.00 0.00 55.95 57.02 1rxs s SER 1046Cb -0.02 1.52 0.02 0.00 -1.71 0.00 0.00 66.02 65.83 1rxs s SER 1046CO -0.04 -0.30 0.03 -1.00 1.20 0.00 0.00 173.24 173.13 1rxs s HIS 1047N 2.67 0.00 0.00 3.44 3.76 -0.53 -5.00 115.29 119.63 1rxs s HIS 1047Ca 0.14 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.16 1rxs s HIS 1047Cb -0.14 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.42 1rxs s HIS 1047CO -0.21 -0.06 0.00 0.54 -0.85 0.00 0.00 174.74 174.16 1rxs n ARG 1048N 3.69 0.00 -0.09 1.40 1.74 -1.26 -0.37 116.66 121.77 1rxs n ARG 1048Ca -0.21 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.93 1rxs n ARG 1048Cb 0.55 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 32.20 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 1.47 -3.43 5.56 0.00 -1.26 -4.75 120.64 132.23 1rxs n GLU 1049Ca 0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 57.16 56.00 1rxs n GLU 1049Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 31.44 30.14 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 -1.77 3.35 -0.16 -1.84 0.40 0.50 -4.00 117.98 114.45 1rxs s PHE 1050Ca 0.20 -1.60 -0.04 0.00 -0.60 0.00 0.00 56.93 54.88 1rxs s PHE 1050Cb 0.10 -3.65 -0.03 0.00 0.51 0.00 0.00 43.02 39.95 1rxs s PHE 1050CO 0.15 -1.01 -0.02 0.99 0.70 0.00 0.00 175.22 176.03 1rxs s THR 1051N 1.43 3.99 -0.12 0.64 2.01 -1.26 -1.45 115.64 120.87 1rxs s THR 1051Ca 0.05 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1rxs s THR 1051Cb -0.28 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.49 1rxs s THR 1051CO 0.01 0.48 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.35 1rxs s THR 1052N 0.44 1.72 0.18 -0.82 2.01 0.18 -1.78 115.64 117.57 1rxs s THR 1052Ca -0.03 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.29 1rxs s THR 1052Cb -0.14 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1rxs s THR 1052CO 0.03 0.49 -0.11 0.26 -0.69 0.00 0.00 174.62 174.59 1rxs s TRP 1053N 0.95 2.60 -0.01 4.92 0.52 0.38 -0.07 118.94 128.23 1rxs s TRP 1053Ca -0.06 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 55.86 1rxs s TRP 1053Cb -0.15 -1.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1rxs s TRP 1053CO -0.02 0.50 -0.10 0.50 0.02 0.00 0.00 176.95 177.84 1rxs s ARG 1054N -2.76 2.49 0.00 4.98 3.52 -0.20 -0.60 118.95 126.39 1rxs s ARG 1054Ca 0.24 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1rxs s ARG 1054Cb -0.09 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 1rxs s ARG 1054CO 0.14 0.61 0.00 0.00 -0.81 0.00 0.00 175.30 175.24 1rxs n ALA 1055N 1.84 0.00 -3.10 6.12 0.00 0.03 -0.78 120.51 124.62 1rxs n ALA 1055Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1rxs n ALA 1055Cb 0.52 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 -1.44 0.17 -0.07 0.00 2.12 0.41 -0.70 118.70 119.20 1rxs s GLU 1056Ca 0.00 -0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.30 1rxs s GLU 1056Cb 0.00 -0.23 0.03 0.00 0.26 0.00 0.00 34.13 34.19 1rxs s GLU 1056CO 0.00 -0.01 0.02 -1.17 -0.54 0.00 0.00 175.26 173.56 1rxs s LEU 1057N 0.27 0.49 -1.46 2.70 2.96 0.71 -1.21 118.68 123.14 1rxs s LEU 1057Ca -0.02 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.73 1rxs s LEU 1057Cb -0.05 -0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.29 1rxs s LEU 1057CO -0.01 -0.21 0.20 0.47 -1.32 0.00 0.00 176.35 175.48 1rxs n ASP 1058N 5.19 -0.38 -0.26 3.68 8.00 -1.26 -1.04 116.55 130.47 1rxs n ASP 1058Ca -0.06 -1.26 -0.03 0.00 0.71 0.00 0.00 54.79 54.15 1rxs n ASP 1058Cb 0.50 -1.75 -0.01 0.00 -0.02 0.00 0.00 41.12 39.83 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 -2.42 0.44 3.52 0.44 0.00 -1.26 -5.00 105.19 100.92 1rxs n GLY 1059Ca -0.28 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.89 2.78 0.30 1.61 1.02 -0.21 -5.08 119.74 118.27 1rxs s LYS 1060Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 1rxs s LYS 1060Cb 0.00 -2.54 -0.10 0.00 -0.52 0.00 0.00 37.83 34.67 1rxs s LYS 1060CO 0.00 0.59 1.20 -1.25 -0.92 0.00 0.00 175.35 174.96 1rxs s PRO 1061N -0.62 4.51 0.01 -1.68 0.04 -1.26 -0.21 135.00 135.79 1rxs s PRO 1061Ca 0.09 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.13 1rxs s PRO 1061Cb -0.11 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1rxs s PRO 1061CO 0.02 0.02 -0.03 0.08 0.04 0.00 0.00 177.00 177.13 1rxs s VAL 1062N -1.08 0.21 -0.07 -0.36 1.01 0.12 -4.39 120.40 115.86 1rxs s VAL 1062Ca 0.47 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1rxs s VAL 1062Cb -0.35 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1rxs s VAL 1062CO 0.46 -0.06 0.10 -0.63 0.00 0.00 0.00 175.10 174.97 1rxs s ILE 1063N -0.36 5.06 -0.15 2.22 -1.09 -0.76 -0.79 121.20 125.32 1rxs s ILE 1063Ca -0.02 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.31 1rxs s ILE 1063Cb -0.03 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 1rxs s ILE 1063CO -0.00 0.50 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.35 1rxs s VAL 1064N -1.09 1.77 -0.06 2.92 1.01 0.23 -0.80 120.40 124.39 1rxs s VAL 1064Ca 0.19 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1rxs s VAL 1064Cb -0.12 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.68 1rxs s VAL 1064CO 0.09 0.49 0.11 0.00 0.00 0.00 0.00 175.10 175.79 1rxs s SER 1066N 1.52 7.13 -0.03 0.00 1.04 -0.74 -3.56 113.70 119.07 1rxs s SER 1066Ca -0.05 1.72 0.21 0.00 0.48 0.00 0.00 55.95 58.31 1rxs s SER 1066Cb -0.12 -2.54 -0.33 0.00 0.10 0.00 0.00 66.02 63.13 1rxs s SER 1066CO -0.05 -0.18 0.46 0.35 0.98 0.00 0.00 173.24 174.80 1rxs n THR 1067N 0.05 0.03 -1.04 2.02 -2.24 -0.40 -4.39 114.28 108.31 1rxs n THR 1067Ca 0.04 -0.49 0.01 0.00 -2.27 0.00 0.00 64.05 61.34 1rxs n THR 1067Cb 0.52 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.30 -2.19 3.69 3.38 0.00 -0.27 -3.33 105.19 107.77 1rxs n GLY 1068Ca -0.04 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.85 4.89 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.66 1rxs s ILE 1069Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1rxs s ILE 1069Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1rxs s ILE 1069CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1rxs n GLY 1070N 3.26 2.25 0.18 6.18 0.00 -1.25 -4.61 105.19 111.19 1rxs n GLY 1070Ca 0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 0.42 0.48 -0.02 0.00 -1.85 -2.04 103.07 100.06 1rxs h GLY 1071Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1rxs h GLY 1071CO 0.00 -0.11 -0.17 -2.55 0.00 0.00 0.00 176.54 173.71 1rxs h PRO 1072N 0.10 -0.22 -0.03 4.80 0.11 -1.94 0.38 132.00 135.20 1rxs h PRO 1072Ca 0.21 0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.19 1rxs h PRO 1072Cb 0.30 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1rxs h PRO 1072CO -0.36 -0.15 -0.66 0.66 -0.21 0.00 0.00 178.00 177.29 1rxs h SER 1073N -0.23 0.17 -0.38 -2.05 4.64 -1.79 -2.33 113.55 111.57 1rxs h SER 1073Ca 0.08 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1rxs h SER 1073Cb 0.35 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1rxs h SER 1073CO -0.23 0.78 0.14 0.74 -0.87 0.00 0.00 176.83 177.39 1rxs h THR 1074N 0.10 0.90 -0.23 2.95 2.02 -0.62 -2.06 112.91 115.97 1rxs h THR 1074Ca -0.01 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1rxs h THR 1074Cb 1.18 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1rxs h THR 1074CO 0.10 0.06 0.04 0.77 0.37 0.00 0.00 175.52 176.86 1rxs h SER 1075N 0.30 0.29 0.25 4.18 4.64 0.25 0.10 113.55 123.56 1rxs h SER 1075Ca 0.17 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1rxs h SER 1075Cb 0.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1rxs h SER 1075CO -0.17 0.31 -0.12 0.40 -0.87 0.00 0.00 176.83 176.38 1rxs h ILE 1076N 0.32 0.81 -0.27 0.95 2.04 -1.05 -2.24 117.51 118.06 1rxs h ILE 1076Ca 0.08 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1rxs h ILE 1076Cb 0.15 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1rxs h ILE 1076CO -0.00 0.09 0.11 0.00 0.00 0.00 0.00 178.15 178.35 1rxs h ALA 1077N 0.13 0.32 -0.05 1.87 0.00 -0.72 -1.53 119.26 119.27 1rxs h ALA 1077Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1077Cb 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rxs h ALA 1077CO 0.06 -0.29 0.02 0.28 0.00 0.00 0.00 179.25 179.32 1rxs h VAL 1078N 0.24 1.12 -0.46 0.00 2.07 -1.07 0.80 116.25 118.95 1rxs h VAL 1078Ca 0.12 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1rxs h VAL 1078Cb 0.07 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1rxs h VAL 1078CO -0.11 0.10 0.23 -0.08 0.02 0.00 0.00 177.57 177.73 1rxs h GLU 1079N -0.06 0.44 0.01 1.57 4.57 -1.20 0.95 114.58 120.86 1rxs h GLU 1079Ca 0.02 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 1rxs h GLU 1079Cb 0.14 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1rxs h GLU 1079CO -0.00 0.29 -0.96 0.93 -1.18 0.00 0.00 179.01 178.09 1rxs h GLU 1080N 0.45 0.36 -0.69 1.92 5.08 -1.17 -1.00 114.58 119.53 1rxs h GLU 1080Ca 0.20 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1rxs h GLU 1080Cb 0.12 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1rxs h GLU 1080CO -0.15 1.09 0.44 -0.07 -1.00 0.00 0.00 179.01 179.32 1rxs h LEU 1081N 0.20 0.81 -0.80 1.33 3.38 -0.56 -2.00 115.31 117.66 1rxs h LEU 1081Ca -0.08 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1rxs h LEU 1081Cb 1.60 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.11 1rxs h LEU 1081CO 0.16 0.61 0.52 0.00 0.09 0.00 0.00 178.44 179.83 1rxs h ALA 1082N 1.24 1.04 -0.56 1.53 0.00 -0.44 -0.73 119.26 121.34 1rxs h ALA 1082Ca 0.25 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1rxs h ALA 1082Cb -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1rxs h ALA 1082CO -0.05 0.39 0.37 1.96 0.00 0.00 0.00 179.25 181.91 1rxs h GLN 1083N 1.05 0.64 -0.05 0.00 4.20 -0.81 -1.84 115.11 118.30 1rxs h GLN 1083Ca 0.31 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1rxs h GLN 1083Cb -0.06 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1rxs h GLN 1083CO -0.09 0.42 0.00 1.28 -0.67 0.00 0.00 178.83 179.77 1rxs n LEU 1084N -4.47 1.14 0.00 1.46 4.77 -0.33 -4.91 117.00 114.66 1rxs n LEU 1084Ca 0.06 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1rxs n LEU 1084Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1rxs n LEU 1084CO 0.35 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1rxs n GLY 1085N 1.10 1.01 3.73 -0.72 0.00 -0.69 -4.82 105.19 104.80 1rxs n GLY 1085Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 3.00 0.00 -0.61 -1.09 -0.87 -4.49 121.20 115.14 1rxs s ILE 1086Ca 0.00 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1rxs s ILE 1086Cb 0.00 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1rxs s ILE 1086CO 0.00 0.11 0.00 0.54 -1.23 0.00 0.00 174.94 174.36 1rxs n ARG 1087N 2.85 5.21 -4.33 2.79 5.12 0.16 -4.27 116.66 124.20 1rxs n ARG 1087Ca 0.08 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.79 1rxs n ARG 1087Cb 0.42 -0.41 -0.16 0.00 -1.16 0.00 0.00 32.46 31.14 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 -0.81 0.74 -0.16 0.55 2.01 -0.70 -1.48 115.64 115.79 1rxs s THR 1088Ca 0.00 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1rxs s THR 1088Cb 0.00 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.82 1rxs s THR 1088CO 0.00 0.26 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.66 1rxs s PHE 1089N 0.70 2.45 -0.26 4.92 0.08 0.14 -0.96 117.98 125.05 1rxs s PHE 1089Ca -0.11 -1.39 -0.05 0.00 0.12 0.00 0.00 56.93 55.50 1rxs s PHE 1089Cb -0.14 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1rxs s PHE 1089CO 0.01 -0.71 0.02 -0.51 -0.10 0.00 0.00 175.22 173.93 1rxs s LEU 1090N 1.33 3.44 -0.08 -0.37 1.43 0.25 -1.04 118.68 123.64 1rxs s LEU 1090Ca 0.04 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 1rxs s LEU 1090Cb -0.13 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1rxs s LEU 1090CO -0.11 -0.12 0.56 -0.60 0.23 0.00 0.00 176.35 176.32 1rxs s ARG 1091N 1.47 4.36 -0.16 1.70 3.52 -0.26 0.14 118.95 129.72 1rxs s ARG 1091Ca 0.03 0.62 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 1rxs s ARG 1091Cb -0.16 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 1rxs s ARG 1091CO -0.00 0.17 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.98 1rxs s ILE 1092N 0.54 2.41 0.31 4.11 1.10 -1.22 -1.24 121.20 127.21 1rxs s ILE 1092Ca 0.30 -0.85 0.06 0.00 -0.51 0.00 0.00 60.65 59.66 1rxs s ILE 1092Cb -0.16 -2.01 -0.02 0.00 0.15 0.00 0.00 42.46 40.41 1rxs s ILE 1092CO 0.14 0.52 0.22 0.61 -2.11 0.00 0.00 174.94 174.32 1rxs n GLY 1093N 4.25 3.10 3.60 1.50 0.00 -0.24 -4.09 105.19 113.31 1rxs n GLY 1093Ca -0.20 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 1rxs n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxs s THR 1094N -3.14 3.45 0.17 2.61 -4.23 -1.26 -1.74 115.64 111.50 1rxs s THR 1094Ca 0.32 -1.30 -0.13 0.00 -1.18 0.00 0.00 61.69 59.40 1rxs s THR 1094Cb 0.02 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1rxs s THR 1094CO 0.22 0.06 0.37 0.28 -0.54 0.00 0.00 174.62 175.02 1rxs s THR 1095N -1.33 0.06 -0.19 3.99 -1.32 -0.36 -4.88 115.64 111.61 1rxs s THR 1095Ca 0.23 -1.09 -0.02 0.00 -1.21 0.00 0.00 61.69 59.59 1rxs s THR 1095Cb -0.11 -1.66 -0.01 0.00 -1.51 0.00 0.00 72.50 69.22 1rxs s THR 1095CO 0.15 -0.26 -0.08 -0.83 -2.21 0.00 0.00 174.62 171.38 1rxs s GLY 1096N -2.91 1.57 0.49 6.08 0.00 -1.23 -1.00 107.32 110.32 1rxs s GLY 1096Ca 0.12 -1.09 -0.20 0.00 0.00 0.00 0.00 44.72 43.56 1rxs s GLY 1096CO -0.03 0.23 1.03 0.00 0.00 0.00 0.00 173.10 174.33 1rxs s ALA 1097N 1.12 2.89 0.00 3.20 0.00 -0.48 -2.22 121.76 126.26 1rxs s ALA 1097Ca 0.01 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1rxs s ALA 1097Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1rxs s ALA 1097CO -0.02 -0.30 0.74 0.44 0.00 0.00 0.00 175.76 176.63 1rxs n ILE 1098N -1.03 0.49 -3.86 0.00 -5.35 0.44 -1.15 119.36 108.90 1rxs n ILE 1098Ca 0.09 -0.74 -0.35 0.00 -0.27 0.00 0.00 62.75 61.47 1rxs n ILE 1098Cb 0.53 0.76 -0.08 0.00 -1.74 0.00 0.00 39.64 39.10 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 -0.49 3.96 0.63 6.28 -1.52 -1.24 -4.79 119.66 122.50 1rxs s GLN 1099Ca 0.00 -0.25 0.39 0.00 -1.95 0.00 0.00 55.36 53.55 1rxs s GLN 1099Cb 0.00 -3.30 2.11 0.00 -0.22 0.00 0.00 33.01 31.60 1rxs s GLN 1099CO 0.00 0.39 2.28 -1.00 -0.25 0.00 0.00 175.29 176.71 1rxs h PRO 1100N 6.33 0.00 0.00 2.91 0.13 -1.96 -2.43 132.00 136.98 1rxs h PRO 1100Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1rxs h PRO 1100Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rxs h PRO 1100CO 0.71 0.01 -0.33 -2.39 -0.23 0.00 0.00 178.00 175.77 1rxs n HIS 1101N -3.28 0.60 -3.16 1.56 1.44 -1.26 -4.79 115.22 106.33 1rxs n HIS 1101Ca -0.02 0.17 -0.39 0.00 -2.01 0.00 0.00 57.72 55.47 1rxs n HIS 1101Cb 0.12 -0.71 -0.06 0.00 0.12 0.00 0.00 29.99 29.45 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 5.07 0.20 0.61 1.01 -0.92 -5.07 121.20 118.99 1rxs s ILE 1102Ca 0.09 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.94 1rxs s ILE 1102Cb 0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1rxs s ILE 1102CO 0.66 0.18 0.21 0.20 0.00 0.00 0.00 174.94 176.18 1rxs s ASN 1103N 1.02 5.75 0.07 3.58 0.02 -1.26 -4.87 114.94 119.25 1rxs s ASN 1103Ca 0.29 -0.09 -0.32 0.00 -1.02 0.00 0.00 52.86 51.72 1rxs s ASN 1103Cb -0.16 -1.56 -0.11 0.00 0.02 0.00 0.00 41.25 39.44 1rxs s ASN 1103CO 0.11 0.02 1.83 0.52 0.02 0.00 0.00 177.10 179.60 1rxs n VAL 1104N -0.75 0.41 0.00 1.60 0.31 -1.26 -1.18 118.33 117.46 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 0.56 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 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 4.18 2.68 3.78 2.92 0.00 -0.71 -5.01 105.19 113.03 1rxs n GLY 1105Ca 0.19 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 -1.40 4.67 -0.09 1.61 -0.00 -0.32 -4.79 116.67 116.35 1rxs s ASP 1106Ca 0.00 1.70 0.03 0.00 -0.00 0.00 0.00 52.55 54.27 1rxs s ASP 1106Cb 0.00 -2.45 -0.02 0.00 -0.00 0.00 0.00 42.92 40.45 1rxs s ASP 1106CO 0.00 -1.91 -0.17 -0.69 -0.00 0.00 0.00 175.17 172.40 1rxs s VAL 1107N -2.97 2.74 -0.17 -1.27 1.01 -0.58 -1.95 120.40 117.22 1rxs s VAL 1107Ca 0.60 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1rxs s VAL 1107Cb -0.16 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1rxs s VAL 1107CO 0.56 0.56 -0.11 -0.76 0.00 0.00 0.00 175.10 175.35 1rxs s LEU 1108N -0.04 2.72 -0.23 3.92 1.43 0.68 -0.84 118.68 126.32 1rxs s LEU 1108Ca -0.05 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1rxs s LEU 1108Cb -0.14 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1rxs s LEU 1108CO 0.04 0.08 0.07 -0.69 0.23 0.00 0.00 176.35 176.08 1rxs s VAL 1109N 0.85 4.44 -0.25 -1.59 1.01 -0.09 -1.17 120.40 123.59 1rxs s VAL 1109Ca -0.03 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 1rxs s VAL 1109Cb -0.15 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1rxs s VAL 1109CO 0.00 0.37 0.67 -0.89 0.00 0.00 0.00 175.10 175.25 1rxs s THR 1110N 1.27 4.95 0.07 3.92 2.01 -0.91 -1.79 115.64 125.17 1rxs s THR 1110Ca 0.05 1.20 -0.07 0.00 0.31 0.00 0.00 61.69 63.18 1rxs s THR 1110Cb -0.15 -3.97 -0.30 0.00 0.01 0.00 0.00 72.50 68.09 1rxs s THR 1110CO 0.03 0.00 1.11 0.71 -0.69 0.00 0.00 174.62 175.79 1rxs h THR 1111N 5.42 1.45 -2.41 -0.82 1.35 -1.28 -3.41 112.91 113.20 1rxs h THR 1111Ca -0.26 -2.96 0.06 0.00 -0.55 0.00 0.00 66.41 62.69 1rxs h THR 1111Cb 1.12 2.96 -0.15 0.00 -1.73 0.00 0.00 68.15 70.35 1rxs h THR 1111CO 0.79 0.87 0.39 0.00 -0.25 0.00 0.00 175.52 177.33 1rxs s ALA 1112N -2.66 -1.76 0.01 6.62 0.00 -1.25 -0.66 121.76 122.05 1rxs s ALA 1112Ca -0.05 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.91 1rxs s ALA 1112Cb 0.06 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1rxs s ALA 1112CO 0.90 -0.66 -0.23 -1.12 0.00 0.00 0.00 175.76 174.65 1rxs s SER 1113N -2.36 3.37 0.02 0.00 0.01 0.20 -1.98 113.70 112.95 1rxs s SER 1113Ca 0.02 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1rxs s SER 1113Cb -0.01 -0.44 -0.07 0.00 0.21 0.00 0.00 66.02 65.71 1rxs s SER 1113CO -0.08 0.29 1.55 -0.69 0.41 0.00 0.00 173.24 174.72 1rxs s VAL 1114N -0.76 3.41 -1.17 3.43 1.01 0.14 -4.33 120.40 122.13 1rxs s VAL 1114Ca 0.12 0.77 -0.16 0.00 0.00 0.00 0.00 61.98 62.70 1rxs s VAL 1114Cb -0.10 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.92 1rxs s VAL 1114CO 0.01 -0.02 1.45 -0.13 0.00 0.00 0.00 175.10 176.42 1rxs s ARG 1115N 2.82 3.95 -0.53 2.72 0.52 -1.26 -1.50 118.95 125.67 1rxs s ARG 1115Ca 0.70 -2.21 0.01 0.00 -0.52 0.00 0.00 55.73 53.71 1rxs s ARG 1115Cb -0.35 -5.17 0.55 0.00 0.52 0.00 0.00 34.95 30.50 1rxs s ARG 1115CO 0.29 -1.91 1.95 1.28 0.02 0.00 0.00 175.30 176.93 1rxs n LEU 1116N 6.66 7.05 -4.68 2.53 4.77 -0.21 -4.95 117.00 128.17 1rxs n LEU 1116Ca 0.37 -3.83 -0.30 0.00 -0.03 0.00 0.00 56.01 52.22 1rxs n LEU 1116Cb 0.45 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.55 1rxs n LEU 1116CO 0.64 1.21 -0.26 1.51 -1.33 0.00 0.00 177.39 179.16 1rxs s ASP 1117N -1.42 3.85 -0.22 -1.43 -4.77 -1.21 -1.67 116.67 109.79 1rxs s ASP 1117Ca 0.58 -1.54 0.10 0.00 -3.30 0.00 0.00 52.55 48.39 1rxs s ASP 1117Cb 0.47 0.16 -0.20 0.00 -1.09 0.00 0.00 42.92 42.26 1rxs s ASP 1117CO 0.06 -0.70 -0.07 0.61 0.70 0.00 0.00 175.17 175.76 1rxs n GLY 1118N -1.10 -0.68 0.25 2.12 0.00 -1.26 -4.69 105.19 99.83 1rxs n GLY 1118Ca -0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 0.52 0.64 -0.83 4.61 0.00 -1.98 -2.82 119.26 119.40 1rxs h ALA 1119Ca -0.54 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.04 1rxs h ALA 1119Cb 2.05 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 1rxs h ALA 1119CO -0.02 0.67 0.54 0.66 0.00 0.00 0.00 179.25 181.10 1rxs h SER 1120N 0.66 0.56 0.14 0.00 4.64 -1.85 0.21 113.55 117.92 1rxs h SER 1120Ca 0.05 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1rxs h SER 1120Cb 0.99 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1rxs h SER 1120CO 0.09 0.29 0.00 -0.07 -0.87 0.00 0.00 176.83 176.28 1rxs h LEU 1121N 0.60 0.00 -0.30 5.97 3.38 -1.61 0.86 115.31 124.21 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 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1rxs h LEU 1121CO -0.17 0.00 -0.05 1.41 0.09 0.00 0.00 178.44 179.73 1rxs n HIS 1122N -2.78 0.00 -0.01 1.13 8.25 0.72 -4.13 115.22 118.39 1rxs n HIS 1122Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1rxs n HIS 1122Cb 0.09 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.75 0.00 -3.81 4.41 3.72 0.21 -5.08 117.46 116.16 1rxs n PHE 1123Ca 0.18 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.46 1rxs n PHE 1123Cb 0.24 -0.06 -0.10 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.03 -0.59 0.98 4.37 0.00 -0.68 -5.01 121.76 118.79 1rxs s ALA 1124Ca -0.02 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 1rxs s ALA 1124Cb 0.01 -0.02 0.18 0.00 0.00 0.00 0.00 23.12 23.29 1rxs s ALA 1124CO 0.04 -0.21 1.10 -1.25 0.00 0.00 0.00 175.76 175.43 1rxs s PRO 1125N -1.04 0.56 0.44 0.00 0.04 -1.26 -3.89 135.00 129.84 1rxs s PRO 1125Ca -0.11 1.24 0.16 0.00 0.04 0.00 0.00 61.00 62.33 1rxs s PRO 1125Cb -0.05 -1.70 1.07 0.00 0.04 0.00 0.00 34.50 33.86 1rxs s PRO 1125CO 0.02 -2.84 1.94 1.25 0.04 0.00 0.00 177.00 177.42 1rxs h LEU 1126N -2.01 0.35 -2.02 -3.56 5.85 -1.93 -1.64 115.31 110.35 1rxs h LEU 1126Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1rxs h LEU 1126Cb 1.29 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1rxs h LEU 1126CO 0.46 0.19 0.00 1.05 -0.34 0.00 0.00 178.44 179.80 1rxs h GLU 1127N 0.38 0.00 -6.50 1.25 9.09 -2.03 -3.43 114.58 113.34 1rxs h GLU 1127Ca 0.33 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.21 1rxs h GLU 1127Cb 0.77 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.87 1rxs h GLU 1127CO -0.10 0.00 0.46 0.12 0.05 0.00 0.00 179.01 179.55 1rxs s PHE 1128N -3.81 3.58 0.07 2.06 5.36 -0.62 -4.98 117.98 119.65 1rxs s PHE 1128Ca -0.02 1.54 -0.31 0.00 -0.96 0.00 0.00 56.93 57.19 1rxs s PHE 1128Cb 0.10 -3.26 -0.06 0.00 -0.34 0.00 0.00 43.02 39.46 1rxs s PHE 1128CO 0.41 -0.58 1.28 -1.25 -1.46 0.00 0.00 175.22 173.62 1rxs s PRO 1129N 0.66 4.38 -1.12 10.12 0.04 -1.26 -4.92 135.00 142.89 1rxs s PRO 1129Ca 0.54 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 63.31 1rxs s PRO 1129Cb -0.26 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.89 1rxs s PRO 1129CO 0.30 -0.35 2.15 0.00 0.04 0.00 0.00 177.00 179.15 1rxs n ALA 1130N 4.04 4.70 -2.81 8.56 0.00 -1.26 -4.78 120.51 128.97 1rxs n ALA 1130Ca 0.10 -3.40 -0.37 0.00 0.00 0.00 0.00 53.44 49.78 1rxs n ALA 1130Cb 0.45 -3.51 -0.07 0.00 0.00 0.00 0.00 19.45 16.33 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 3.88 5.44 0.46 0.00 0.11 -1.26 -0.63 120.40 128.40 1rxs s VAL 1131Ca 0.52 0.27 -0.21 0.00 -2.93 0.00 0.00 61.98 59.64 1rxs s VAL 1131Cb 0.14 -3.45 -0.09 0.00 -1.53 0.00 0.00 36.38 31.44 1rxs s VAL 1131CO 0.01 0.56 1.01 0.00 -3.33 0.00 0.00 175.10 173.34 1rxs s ALA 1132N -0.61 2.94 0.29 1.54 0.00 0.16 -4.67 121.76 121.41 1rxs s ALA 1132Ca 0.14 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1rxs s ALA 1132Cb -0.12 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 1rxs s ALA 1132CO 0.03 -0.15 1.62 0.34 0.00 0.00 0.00 175.76 177.59 1rxs s ASP 1133N -2.04 6.36 0.21 0.00 -1.08 -0.07 -4.92 116.67 115.13 1rxs s ASP 1133Ca 0.65 2.96 -0.10 0.00 -0.52 0.00 0.00 52.55 55.54 1rxs s ASP 1133Cb -0.14 -2.63 0.20 0.00 -1.46 0.00 0.00 42.92 38.89 1rxs s ASP 1133CO 0.18 -0.93 1.86 0.15 0.52 0.00 0.00 175.17 176.94 1rxs h PHE 1134N 5.04 0.87 -0.42 -5.34 3.04 -1.94 -1.29 116.94 116.90 1rxs h PHE 1134Ca -0.47 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.45 1rxs h PHE 1134Cb 1.22 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.43 1rxs h PHE 1134CO 0.59 0.50 0.04 0.93 -2.02 0.00 0.00 178.31 178.36 1rxs h GLU 1135N 0.91 0.71 -0.31 1.11 5.08 -1.96 -0.95 114.58 119.17 1rxs h GLU 1135Ca 0.29 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1rxs h GLU 1135Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1rxs h GLU 1135CO -0.10 0.76 0.18 0.00 -1.00 0.00 0.00 179.01 178.85 1rxs h THR 1137N 0.40 1.14 0.00 0.00 2.02 -1.15 -0.33 112.91 114.99 1rxs h THR 1137Ca 0.11 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1rxs h THR 1137Cb 0.03 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1rxs h THR 1137CO -0.02 0.14 -0.03 0.74 0.37 0.00 0.00 175.52 176.72 1rxs h THR 1138N 0.72 0.91 -0.89 3.16 2.02 -0.81 0.13 112.91 118.16 1rxs h THR 1138Ca 0.19 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.45 1rxs h THR 1138Cb -0.06 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 1rxs h THR 1138CO -0.04 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.39 1rxs h ALA 1139N 0.94 1.25 -0.25 6.16 0.00 -0.58 0.97 119.26 127.75 1rxs h ALA 1139Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1rxs h ALA 1139Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1rxs h ALA 1139CO -0.03 0.24 -0.04 -0.07 0.00 0.00 0.00 179.25 179.35 1rxs h LEU 1140N 0.95 0.47 -0.51 0.00 3.38 -0.54 -0.27 115.31 118.80 1rxs h LEU 1140Ca 0.40 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1rxs h LEU 1140Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1rxs h LEU 1140CO -0.20 0.71 0.19 0.58 0.09 0.00 0.00 178.44 179.81 1rxs h VAL 1141N 0.22 1.22 -0.29 1.22 2.07 -0.37 -1.90 116.25 118.42 1rxs h VAL 1141Ca 0.07 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.76 1rxs h VAL 1141Cb 0.50 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 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 0.69 0.65 -0.57 1.57 5.08 -0.77 -1.91 114.58 119.32 1rxs h GLU 1142Ca 0.17 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1rxs h GLU 1142Cb 0.22 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1rxs h GLU 1142CO -0.01 0.90 0.18 0.00 -1.00 0.00 0.00 179.01 179.08 1rxs h ALA 1143N 1.07 0.74 -0.54 3.43 0.00 -0.86 -1.26 119.26 121.84 1rxs h ALA 1143Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1rxs h ALA 1143Cb 0.85 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1rxs h ALA 1143CO 0.07 0.40 0.30 0.00 0.00 0.00 0.00 179.25 180.02 1rxs h ALA 1144N 1.05 0.69 -0.99 0.00 0.00 -1.16 -2.23 119.26 116.62 1rxs h ALA 1144Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1rxs h ALA 1144Cb 0.27 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1rxs h ALA 1144CO -0.01 0.21 0.65 -0.22 0.00 0.00 0.00 179.25 179.89 1rxs h LYS 1145N 0.73 1.30 0.00 0.00 1.63 -1.11 -1.50 116.57 117.62 1rxs h LYS 1145Ca 0.19 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.84 1rxs h LYS 1145Cb 0.04 -0.29 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 1rxs h LYS 1145CO -0.03 0.87 -0.34 0.66 -3.45 0.00 0.00 179.45 177.15 1rxs h SER 1146N 1.34 0.00 -0.03 4.20 4.64 -0.65 -2.52 113.55 120.53 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 -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1rxs h SER 1146CO -0.08 0.34 0.00 2.30 -0.87 0.00 0.00 176.83 178.53 1rxs n ILE 1147N -3.72 0.01 -1.27 0.95 -6.64 -0.95 -5.00 119.36 102.73 1rxs n ILE 1147Ca -0.01 -0.51 -0.04 0.00 -1.77 0.00 0.00 62.75 60.42 1rxs n ILE 1147Cb 0.44 1.41 -0.01 0.00 -1.44 0.00 0.00 39.64 40.04 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 1.15 0.60 3.78 3.28 0.00 -0.59 -5.03 105.19 108.37 1rxs n GLY 1148Ca 0.12 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.15 2.98 -0.10 4.61 0.00 -1.02 -5.00 121.76 121.08 1rxs s ALA 1149Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 1rxs s ALA 1149Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1rxs s ALA 1149CO 0.00 -0.40 1.13 0.95 0.00 0.00 0.00 175.76 177.44 1rxs s THR 1150N -1.70 4.47 0.01 0.00 -4.23 -1.26 -4.73 115.64 108.21 1rxs s THR 1150Ca 0.62 1.77 0.06 0.00 -1.18 0.00 0.00 61.69 62.97 1rxs s THR 1150Cb -0.23 -4.14 -0.02 0.00 1.34 0.00 0.00 72.50 69.45 1rxs s THR 1150CO 0.28 -0.04 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.24 1rxs s THR 1151N 2.43 1.56 -0.05 3.99 2.01 -1.26 -1.52 115.64 122.79 1rxs s THR 1151Ca 0.52 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.60 1rxs s THR 1151Cb -0.21 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 1rxs s THR 1151CO 0.18 0.33 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.21 1rxs s HIS 1152N -0.60 2.22 -0.15 4.92 3.76 -0.02 -4.96 115.29 120.46 1rxs s HIS 1152Ca 0.07 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.34 1rxs s HIS 1152Cb -0.08 -1.47 0.01 0.00 1.11 0.00 0.00 32.58 32.15 1rxs s HIS 1152CO 0.00 -0.21 -0.21 0.08 -0.85 0.00 0.00 174.74 173.56 1rxs s VAL 1153N -0.09 2.14 -2.41 -0.90 1.01 -1.26 -0.91 120.40 117.98 1rxs s VAL 1153Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1rxs s VAL 1153Cb -0.13 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1rxs s VAL 1153CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1rxs n GLY 1154N 4.15 -0.59 3.83 4.51 0.00 -0.74 -4.95 105.19 111.40 1rxs n GLY 1154Ca -0.20 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.47 4.99 -0.03 1.61 1.01 -1.26 -0.73 120.40 122.52 1rxs s VAL 1155Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 61.98 62.94 1rxs s VAL 1155Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1rxs s VAL 1155CO 0.00 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 174.59 1rxs s THR 1156N -1.00 2.70 -0.21 3.92 2.01 -0.84 -0.12 115.64 122.09 1rxs s THR 1156Ca 0.25 -0.92 -0.19 0.00 0.31 0.00 0.00 61.69 61.14 1rxs s THR 1156Cb -0.17 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1rxs s THR 1156CO 0.14 0.55 0.54 0.00 -0.69 0.00 0.00 174.62 175.15 1rxs s ALA 1157N -0.72 3.55 -0.35 7.40 0.00 0.19 0.24 121.76 132.08 1rxs s ALA 1157Ca 0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1rxs s ALA 1157Cb -0.10 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.23 1rxs s ALA 1157CO 0.01 -0.51 0.10 0.45 0.00 0.00 0.00 175.76 175.80 1rxs s SER 1158N 1.23 5.15 -0.04 0.00 0.15 -0.56 -1.60 113.70 118.02 1rxs s SER 1158Ca 0.24 -1.44 0.01 0.00 0.70 0.00 0.00 55.95 55.46 1rxs s SER 1158Cb -0.15 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 1rxs s SER 1158CO 0.10 -0.37 -0.05 -0.55 1.20 0.00 0.00 173.24 173.57 1rxs s SER 1159N 1.50 4.79 0.00 5.45 0.15 0.69 -1.05 113.70 125.23 1rxs s SER 1159Ca -0.00 -0.02 0.18 0.00 0.70 0.00 0.00 55.95 56.80 1rxs s SER 1159Cb -0.21 -1.21 0.83 0.00 -1.71 0.00 0.00 66.02 63.72 1rxs s SER 1159CO -0.01 0.34 1.57 0.47 1.20 0.00 0.00 173.24 176.81 1rxs n ASP 1160N 1.94 0.00 -4.26 5.45 10.43 -0.67 -4.34 116.55 125.10 1rxs n ASP 1160Ca -0.17 0.34 -0.18 0.00 2.57 0.00 0.00 54.79 57.35 1rxs n ASP 1160Cb 0.53 -0.43 -0.11 0.00 1.84 0.00 0.00 41.12 42.95 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 -2.86 1.40 0.06 -3.53 -4.23 -1.26 -5.01 115.64 100.21 1rxs s THR 1161Ca 0.12 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1rxs s THR 1161Cb 0.12 -1.59 -0.22 0.00 1.34 0.00 0.00 72.50 72.15 1rxs s THR 1161CO 0.31 -0.41 1.05 0.15 -0.54 0.00 0.00 174.62 175.18 1rxs h PHE 1162N 3.46 0.04 0.00 3.99 3.57 -1.97 -3.38 116.94 122.65 1rxs h PHE 1162Ca -0.40 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1rxs h PHE 1162Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1rxs h PHE 1162CO 0.66 1.03 0.00 0.66 -2.23 0.00 0.00 178.31 178.43 1rxs n TYR 1163N -3.26 0.00 -0.18 0.41 4.02 -1.26 -4.33 117.16 112.56 1rxs n TYR 1163Ca -0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.80 1rxs n TYR 1163Cb 0.99 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 40.49 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 0.94 0.00 -0.72 0.13 -1.87 -0.49 132.00 129.99 1rxs h PRO 1164Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1rxs h PRO 1164Cb 0.00 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 30.97 1rxs h PRO 1164CO 0.00 0.76 0.00 0.78 -0.23 0.00 0.00 178.00 179.31 1rxs h GLY 1165N 1.02 0.00 -2.52 1.56 0.00 -1.86 0.21 103.07 101.48 1rxs h GLY 1165Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1rxs h GLY 1165CO -0.02 0.00 0.04 -1.06 0.00 0.00 0.00 176.54 175.50 1rxs n GLN 1166N -2.66 3.57 -4.12 4.80 6.02 -0.78 -4.93 117.38 119.27 1rxs n GLN 1166Ca 0.02 -3.00 -0.30 0.00 -0.01 0.00 0.00 57.00 53.70 1rxs n GLN 1166Cb 0.28 -2.03 -0.05 0.00 1.02 0.00 0.00 30.24 29.46 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 -0.16 -1.85 -3.16 -1.09 2.13 0.74 -4.94 120.64 112.31 1rxs n GLU 1167Ca 0.27 0.23 -0.39 0.00 0.66 0.00 0.00 57.16 57.94 1rxs n GLU 1167Cb 1.07 -3.90 -0.05 0.00 0.27 0.00 0.00 31.44 28.83 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 -6.99 4.40 -0.00 5.31 0.52 -0.26 -4.97 118.95 116.95 1rxs s ARG 1168Ca 0.07 0.70 0.20 0.00 -0.52 0.00 0.00 55.73 56.17 1rxs s ARG 1168Cb -0.03 -3.44 -0.23 0.00 0.52 0.00 0.00 34.95 31.77 1rxs s ARG 1168CO 0.95 0.10 0.78 0.66 0.02 0.00 0.00 175.30 177.81 1rxs n TYR 1169N 3.73 0.00 -2.63 -0.53 4.01 -1.26 -4.38 117.16 116.10 1rxs n TYR 1169Ca -0.04 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.27 1rxs n TYR 1169Cb 0.51 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.58 5.07 -3.42 7.72 4.64 -1.26 -4.13 116.55 123.59 1rxs n ASP 1170Ca 0.03 -3.01 -0.18 0.00 -1.38 0.00 0.00 54.79 50.24 1rxs n ASP 1170Cb 0.34 -1.56 -0.08 0.00 -1.04 0.00 0.00 41.12 38.78 1rxs n ASP 1170CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1rxs s THR 1171N 1.48 0.00 0.20 5.18 -4.23 -1.26 -5.01 115.64 111.99 1rxs s THR 1171Ca 0.43 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 1rxs s THR 1171Cb 0.03 -2.51 0.12 0.00 1.34 0.00 0.00 72.50 71.48 1rxs s THR 1171CO 0.01 0.00 1.77 0.22 -0.54 0.00 0.00 174.62 176.07 1rxs h TYR 1172N 2.18 0.45 0.00 3.99 5.03 -1.99 -2.91 116.97 123.72 1rxs h TYR 1172Ca -0.26 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 60.94 1rxs h TYR 1172Cb 1.23 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 39.37 1rxs h TYR 1172CO 1.57 0.17 -1.19 0.66 -1.32 0.00 0.00 178.16 178.05 1rxs h SER 1173N 0.47 0.00 -0.76 -2.11 4.64 -1.97 -3.48 113.55 110.34 1rxs h SER 1173Ca 0.27 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.31 1rxs h SER 1173Cb 0.27 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.25 1rxs h SER 1173CO -0.24 0.49 -0.26 0.61 -0.87 0.00 0.00 176.83 176.56 1rxs n GLY 1174N 1.34 1.29 3.10 -0.77 0.00 -1.10 -5.00 105.19 104.05 1rxs n GLY 1174Ca -0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.29 0.61 -0.06 1.61 1.70 -1.26 -4.93 118.95 113.33 1rxs s ARG 1175Ca 0.00 -1.05 0.04 0.00 -0.47 0.00 0.00 55.73 54.25 1rxs s ARG 1175Cb 0.00 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1rxs s ARG 1175CO 0.00 -0.13 -0.17 0.08 -1.08 0.00 0.00 175.30 173.99 1rxs s VAL 1176N -3.47 1.48 0.35 4.99 1.01 -1.26 -4.92 120.40 118.58 1rxs s VAL 1176Ca 0.03 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 1rxs s VAL 1176Cb 0.04 -1.29 -0.13 0.00 0.00 0.00 0.00 36.38 35.01 1rxs s VAL 1176CO -0.08 0.43 1.00 0.55 0.00 0.00 0.00 175.10 176.99 1rxs n VAL 1177N 3.33 2.14 -0.30 2.92 3.14 -1.26 -4.61 118.33 123.68 1rxs n VAL 1177Ca -0.19 -0.50 0.03 0.00 -2.96 0.00 0.00 64.34 60.72 1rxs n VAL 1177Cb 0.53 -1.07 0.10 0.00 -1.06 0.00 0.00 33.84 32.34 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 1.78 -0.01 -1.07 1.45 2.43 -1.99 0.31 114.38 117.28 1rxs h ARG 1178Ca -0.42 0.00 0.29 0.00 -0.81 0.00 0.00 59.98 59.04 1rxs h ARG 1178Cb 1.34 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.82 1rxs h ARG 1178CO 0.59 -0.00 0.72 1.25 -1.51 0.00 0.00 179.97 181.01 1rxs h HIS 1179N -0.01 0.41 -0.01 2.20 2.76 -2.03 -2.37 115.15 116.11 1rxs h HIS 1179Ca 0.40 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1rxs h HIS 1179Cb 0.62 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1rxs h HIS 1179CO -0.68 0.04 -0.51 1.19 -1.30 0.00 0.00 177.93 176.66 1rxs n PHE 1180N -4.47 0.00 -1.73 5.26 3.01 0.10 -4.80 117.46 114.83 1rxs n PHE 1180Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.29 1rxs n PHE 1180Cb 0.99 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.43 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 -2.34 4.14 0.00 -1.08 2.20 -0.89 -1.37 119.74 120.40 1rxs s LYS 1181Ca 0.14 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 1rxs s LYS 1181Cb 0.16 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1rxs s LYS 1181CO 0.56 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1rxs n GLY 1182N 4.32 0.42 0.20 5.54 0.00 -1.26 -4.92 105.19 109.49 1rxs n GLY 1182Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 0.49 -0.49 1.61 4.64 -1.53 -3.07 113.55 115.20 1rxs h SER 1183Ca 0.00 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1rxs h SER 1183Cb 0.23 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1rxs h SER 1183CO 0.00 0.94 0.17 -0.03 -0.87 0.00 0.00 176.83 177.03 1rxs h MET 1184N 0.34 0.76 -0.96 4.77 -1.53 -1.91 -1.23 114.93 115.16 1rxs h MET 1184Ca 0.01 -0.16 0.08 0.00 -3.44 0.00 0.00 59.70 56.19 1rxs h MET 1184Cb 1.06 -0.11 -0.07 0.00 -0.55 0.00 0.00 31.60 31.93 1rxs h MET 1184CO 0.10 0.70 0.62 1.49 0.14 0.00 0.00 176.91 179.96 1rxs h GLU 1185N 0.66 1.05 -0.06 0.39 4.81 -1.96 -0.19 114.58 119.27 1rxs h GLU 1185Ca 0.16 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1rxs h GLU 1185Cb 0.25 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1rxs h GLU 1185CO -0.01 0.69 0.00 0.93 -0.73 0.00 0.00 179.01 179.89 1rxs h GLU 1186N 1.08 0.11 -0.87 1.92 4.39 -1.28 -1.60 114.58 118.33 1rxs h GLU 1186Ca 0.43 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.12 1rxs h GLU 1186Cb 0.25 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 1rxs h GLU 1186CO -0.18 0.38 0.56 -1.49 -1.16 0.00 0.00 179.01 177.13 1rxs h TRP 1187N -0.18 1.05 -0.28 4.33 -0.00 -0.99 -1.44 115.95 118.44 1rxs h TRP 1187Ca 0.02 0.03 0.06 0.00 -0.00 0.00 0.00 58.89 58.99 1rxs h TRP 1187Cb 0.33 -0.35 -0.06 0.00 -0.00 0.00 0.00 29.16 29.09 1rxs h TRP 1187CO 0.03 0.61 -0.10 0.37 -0.00 0.00 0.00 178.44 179.35 1rxs h GLN 1188N 1.09 -0.05 0.00 0.49 4.15 -0.91 -1.44 115.11 118.44 1rxs h GLN 1188Ca 0.34 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.71 1rxs h GLN 1188Cb 0.00 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1rxs h GLN 1188CO -0.11 -0.03 -0.27 0.00 -1.93 0.00 0.00 178.83 176.49 1rxs h ALA 1189N 1.21 1.30 -0.11 3.38 0.00 -0.67 -2.15 119.26 122.22 1rxs h ALA 1189Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rxs h ALA 1189Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rxs h ALA 1189CO -0.31 0.33 0.00 -1.33 0.00 0.00 0.00 179.25 177.94 1rxs n MET 1190N -3.84 1.47 -0.56 0.00 2.81 -0.60 -4.90 117.12 111.50 1rxs n MET 1190Ca -0.02 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.17 1rxs n MET 1190Cb 0.36 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 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 1.01 0.77 3.74 3.03 0.00 -0.81 -5.02 105.19 107.90 1rxs n GLY 1191Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1rxs n GLY 1191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rxs n VAL 1192N -2.12 1.26 0.08 1.61 0.31 -0.65 -4.66 118.33 114.16 1rxs n VAL 1192Ca 0.00 -0.32 -0.23 0.00 -0.01 0.00 0.00 64.34 63.79 1rxs n VAL 1192Cb 0.00 -1.89 -0.15 0.00 -0.91 0.00 0.00 33.84 30.90 1rxs n VAL 1192CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1rxs h MET 1193N 4.23 0.40 -2.47 5.55 0.00 -0.85 -3.42 114.93 118.38 1rxs h MET 1193Ca -0.47 -0.69 0.16 0.00 0.00 0.00 0.00 59.70 58.70 1rxs h MET 1193Cb 1.24 0.26 -0.07 0.00 0.00 0.00 0.00 31.60 33.02 1rxs h MET 1193CO 0.75 1.32 0.44 0.54 0.00 0.00 0.00 176.91 179.96 1rxs s ASN 1194N -7.31 -0.18 -0.07 1.22 4.22 -1.26 -0.42 114.94 111.14 1rxs s ASN 1194Ca -0.14 -0.46 0.02 0.00 -2.14 0.00 0.00 52.86 50.14 1rxs s ASN 1194Cb 0.05 0.54 -0.03 0.00 1.28 0.00 0.00 41.25 43.09 1rxs s ASN 1194CO 0.87 -0.99 -0.11 -0.31 -2.04 0.00 0.00 177.10 174.51 1rxs s TYR 1195N -3.35 2.81 0.00 1.54 1.51 -0.94 -0.63 117.35 118.28 1rxs s TYR 1195Ca 0.12 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1rxs s TYR 1195Cb -0.02 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1rxs s TYR 1195CO 0.03 0.16 0.00 -0.85 -1.11 0.00 0.00 175.55 173.79 1rxs n GLU 1196N 2.52 0.00 -0.02 -0.62 -0.00 -0.63 -3.57 120.64 118.32 1rxs n GLU 1196Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.99 1rxs n GLU 1196Cb 0.52 0.00 0.01 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 1.77 0.00 3.44 2.81 -1.26 -0.22 117.12 123.66 1rxs n MET 1197Ca 0.00 -1.19 0.00 0.00 -1.81 0.00 0.00 57.70 54.70 1rxs n MET 1197Cb 0.00 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 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 -0.36 2.33 -0.35 0.03 4.71 -1.26 -3.41 120.64 122.33 1rxs n GLU 1198Ca 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1rxs n GLU 1198Cb 0.37 -0.68 0.10 0.00 -1.01 0.00 0.00 31.44 30.22 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 1.07 -0.39 1.62 4.64 -1.94 -1.66 113.55 116.88 1rxs h SER 1199Ca 0.00 -0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1rxs h SER 1199Cb 0.23 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 1rxs h SER 1199CO 0.00 0.77 0.10 0.00 -0.87 0.00 0.00 176.83 176.83 1rxs h ALA 1200N 1.35 0.44 0.19 5.18 0.00 -1.87 0.34 119.26 124.89 1rxs h ALA 1200Ca 0.35 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1rxs h ALA 1200Cb -0.13 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rxs h ALA 1200CO -0.08 -0.29 -0.09 1.15 0.00 0.00 0.00 179.25 179.93 1rxs h THR 1201N 0.24 0.90 0.14 0.00 2.02 -1.78 -1.95 112.91 112.48 1rxs h THR 1201Ca 0.19 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1rxs h THR 1201Cb 0.20 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1rxs h THR 1201CO -0.22 0.10 -0.28 0.25 0.37 0.00 0.00 175.52 175.74 1rxs h LEU 1202N -0.47 -0.80 -0.67 2.58 5.85 -0.90 -0.23 115.31 120.67 1rxs h LEU 1202Ca -0.03 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1rxs h LEU 1202Cb 0.36 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1rxs h LEU 1202CO 0.04 -0.38 0.20 -0.07 -0.34 0.00 0.00 178.44 177.89 1rxs h LEU 1203N -0.51 0.99 -0.25 2.25 3.38 -0.37 -1.24 115.31 119.56 1rxs h LEU 1203Ca 0.03 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1rxs h LEU 1203Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1rxs h LEU 1203CO -0.15 0.95 -0.09 0.74 0.09 0.00 0.00 178.44 179.98 1rxs h THR 1204N 0.98 1.29 -0.11 0.22 2.02 -1.16 0.61 112.91 116.78 1rxs h THR 1204Ca 0.21 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.15 1rxs h THR 1204Cb 0.32 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1rxs h THR 1204CO -0.00 0.35 -0.44 0.00 0.37 0.00 0.00 175.52 175.80 1rxs h MET 1205N 0.22 0.25 0.00 6.66 -0.00 -0.89 -2.36 114.93 118.82 1rxs h MET 1205Ca 0.06 -0.12 -0.05 0.00 -0.00 0.00 0.00 59.70 59.59 1rxs h MET 1205Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 1rxs h MET 1205CO 0.03 0.64 -0.19 0.00 -0.00 0.00 0.00 176.91 177.39 1rxs h ALA 1207N 0.22 1.85 -0.33 0.00 0.00 -0.81 -1.22 119.26 118.96 1rxs h ALA 1207Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rxs h ALA 1207Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rxs h ALA 1207CO 0.04 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 177.98 1rxs n SER 1208N -4.06 3.29 -0.22 0.00 3.41 -0.89 -4.25 113.62 110.90 1rxs n SER 1208Ca -0.00 -1.98 0.02 0.00 -0.26 0.00 0.00 58.87 56.66 1rxs n SER 1208Cb 0.23 -0.21 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.40 0.66 -1.26 4.33 6.02 -0.64 -5.01 117.38 122.89 1rxs n GLN 1209Ca 0.19 -1.28 -0.09 0.00 -0.01 0.00 0.00 57.00 55.81 1rxs n GLN 1209Cb 0.59 -0.78 -0.04 0.00 1.02 0.00 0.00 30.24 31.03 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 -0.37 1.06 3.78 1.08 0.00 -1.03 -5.02 105.19 104.69 1rxs n GLY 1210Ca 0.03 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.02 3.91 -0.13 0.99 1.43 -0.56 -5.05 118.68 117.25 1rxs s LEU 1211Ca 0.00 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 1rxs s LEU 1211Cb 0.00 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 1rxs s LEU 1211CO 0.00 0.28 0.36 -0.13 0.23 0.00 0.00 176.35 177.09 1rxs s ARG 1212N -1.68 4.25 0.01 1.70 0.52 -0.55 -3.89 118.95 119.31 1rxs s ARG 1212Ca 0.22 0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.68 1rxs s ARG 1212Cb -0.12 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1rxs s ARG 1212CO 0.13 0.25 -0.05 0.00 0.02 0.00 0.00 175.30 175.66 1rxs s ALA 1213N 0.39 0.35 0.16 2.13 0.00 -1.26 0.26 121.76 123.80 1rxs s ALA 1213Ca 0.20 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1rxs s ALA 1213Cb -0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1rxs s ALA 1213CO 0.07 0.03 -0.02 0.20 0.00 0.00 0.00 175.76 176.03 1rxs s GLY 1214N -0.59 1.17 -0.02 0.00 0.00 -0.21 -0.90 107.32 106.77 1rxs s GLY 1214Ca -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1rxs s GLY 1214CO -0.00 -1.54 0.01 1.06 0.00 0.00 0.00 173.10 172.62 1rxs s MET 1215N -3.87 0.19 -0.04 2.90 -1.94 -1.26 -1.10 119.30 114.18 1rxs s MET 1215Ca 0.21 0.08 -0.03 0.00 -1.71 0.00 0.00 55.69 54.25 1rxs s MET 1215Cb 0.05 -0.38 0.01 0.00 2.01 0.00 0.00 34.83 36.53 1rxs s MET 1215CO 0.03 -0.12 0.10 0.54 -0.01 0.00 0.00 175.02 175.55 1rxs s VAL 1216N 0.89 -0.00 0.02 -6.03 0.11 -0.37 -2.13 120.40 112.88 1rxs s VAL 1216Ca -0.08 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.89 1rxs s VAL 1216Cb -0.12 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 1rxs s VAL 1216CO -0.02 0.00 0.16 0.00 -3.33 0.00 0.00 175.10 171.91 1rxs s ALA 1217N 0.10 -0.33 -0.03 1.54 0.00 -0.32 -1.08 121.76 121.64 1rxs s ALA 1217Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1rxs s ALA 1217Cb -0.01 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1rxs s ALA 1217CO -0.00 -0.27 0.25 0.20 0.00 0.00 0.00 175.76 175.95 1rxs s GLY 1218N -1.66 2.26 -0.29 0.00 0.00 -0.71 -0.23 107.32 106.68 1rxs s GLY 1218Ca -0.11 -0.55 -0.25 0.00 0.00 0.00 0.00 44.72 43.81 1rxs s GLY 1218CO -0.00 -0.32 0.89 0.14 0.00 0.00 0.00 173.10 173.81 1rxs s VAL 1219N -1.20 4.72 -0.07 1.40 1.01 -0.82 -1.22 120.40 124.21 1rxs s VAL 1219Ca 0.24 1.45 0.18 0.00 0.00 0.00 0.00 61.98 63.85 1rxs s VAL 1219Cb -0.13 -4.23 -0.27 0.00 0.00 0.00 0.00 36.38 31.75 1rxs s VAL 1219CO 0.13 -0.28 0.31 2.30 0.00 0.00 0.00 175.10 177.56 1rxs n ILE 1220N 5.57 0.35 -3.80 2.22 -5.35 -0.17 -1.74 119.36 116.44 1rxs n ILE 1220Ca 0.07 -0.52 -0.12 0.00 -0.27 0.00 0.00 62.75 61.91 1rxs n ILE 1220Cb 0.48 -0.11 -0.08 0.00 -1.74 0.00 0.00 39.64 38.19 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 -3.05 0.08 -0.22 7.28 0.11 -1.23 -4.95 120.40 118.43 1rxs s VAL 1221Ca -0.07 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.26 1rxs s VAL 1221Cb 0.10 -0.79 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1rxs s VAL 1221CO 0.76 -0.38 -0.06 0.21 -3.33 0.00 0.00 175.10 172.31 1rxs s ASN 1222N -1.80 4.21 0.42 3.54 3.84 -1.26 -1.38 114.94 122.50 1rxs s ASN 1222Ca -0.08 -0.47 0.29 0.00 0.21 0.00 0.00 52.86 52.81 1rxs s ASN 1222Cb -0.03 -1.71 1.36 0.00 -0.55 0.00 0.00 41.25 40.33 1rxs s ASN 1222CO -0.01 -0.03 1.88 0.03 -2.79 0.00 0.00 177.10 176.18 1rxs h ARG 1223N 8.09 0.00 0.00 0.43 2.47 -1.24 -1.97 114.38 122.16 1rxs h ARG 1223Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1rxs h ARG 1223Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 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 -2.60 0.00 0.00 2.04 -2.24 -1.26 -3.44 114.28 106.78 1rxs n THR 1224Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rxs n THR 1224Cb 0.18 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 2.92 -3.66 -0.78 10.64 -0.77 -5.09 117.38 119.95 1rxs n GLN 1225Ca 0.09 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.11 1rxs n GLN 1225Cb 0.04 -0.69 -0.07 0.00 -0.86 0.00 0.00 30.24 28.66 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 0.86 -0.12 2.61 -0.21 -1.05 -5.09 119.66 115.68 1rxs s GLN 1226Ca 0.00 -0.09 -0.08 0.00 0.02 0.00 0.00 55.36 55.21 1rxs s GLN 1226Cb 0.00 0.39 -0.03 0.00 1.00 0.00 0.00 33.01 34.38 1rxs s GLN 1226CO 0.00 -0.27 -0.16 0.39 -2.12 0.00 0.00 175.29 173.13 1rxs n GLU 1227N 0.95 0.39 -2.90 2.91 1.02 -1.26 -3.85 120.64 117.89 1rxs n GLU 1227Ca -0.20 0.47 -0.41 0.00 -0.02 0.00 0.00 57.16 57.00 1rxs n GLU 1227Cb 0.57 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 1rxs n GLU 1227CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rxs s ILE 1228N -2.08 4.91 0.02 -3.67 -1.09 -1.26 -4.97 121.20 113.06 1rxs s ILE 1228Ca -0.13 1.63 -0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1rxs s ILE 1228Cb 0.02 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1rxs s ILE 1228CO 0.20 0.08 0.01 -2.65 -1.23 0.00 0.00 174.94 171.35 1rxs n PRO 1229N 4.86 -1.59 0.00 2.79 -0.02 -1.26 -5.10 135.00 134.68 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 -0.03 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 -1.82 0.00 0.23 -0.52 0.00 -1.26 -5.07 117.12 108.67 1rxs n MET 1234Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.70 57.80 1rxs n MET 1234Cb 0.01 0.00 0.53 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 -2.84 116.57 117.48 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 0.23 -0.02 1.96 -2.27 0.00 0.00 179.45 179.35 1rxs h GLN 1236N 0.00 0.00 -0.07 1.90 4.20 -2.03 -2.98 115.11 116.13 1rxs h GLN 1236Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1rxs h GLN 1236Cb 0.61 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.39 1rxs h GLN 1236CO 0.03 0.00 -0.37 1.15 -0.67 0.00 0.00 178.83 178.97 1rxs h THR 1237N 0.00 1.42 0.00 -0.54 2.02 -1.86 -2.56 112.91 111.40 1rxs h THR 1237Ca 0.00 -1.78 -0.06 0.00 0.77 0.00 0.00 66.41 65.34 1rxs h THR 1237Cb 0.87 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 1rxs h THR 1237CO 0.00 0.51 -0.31 1.05 0.37 0.00 0.00 175.52 177.15 1rxs h GLU 1238N -0.12 0.00 -0.33 6.66 4.11 -1.65 -2.27 114.58 120.98 1rxs h GLU 1238Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 1rxs h GLU 1238Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1rxs h GLU 1238CO 0.08 0.31 0.03 0.77 0.07 0.00 0.00 179.01 180.26 1rxs h SER 1239N 0.00 0.46 0.28 3.06 0.02 -1.55 0.72 113.55 116.54 1rxs h SER 1239Ca -0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1rxs h SER 1239Cb 0.99 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1rxs h SER 1239CO 0.04 0.51 -0.13 0.45 -1.14 0.00 0.00 176.83 176.56 1rxs h HIS 1240N 0.49 -0.34 -0.71 3.45 3.86 -1.09 -2.23 115.15 118.58 1rxs h HIS 1240Ca 0.11 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1rxs h HIS 1240Cb 0.27 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 1rxs h HIS 1240CO 0.01 0.01 0.47 0.00 0.86 0.00 0.00 177.93 179.27 1rxs h ALA 1241N -0.24 0.90 -0.38 2.45 0.00 -1.33 0.15 119.26 120.80 1rxs h ALA 1241Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rxs h ALA 1241Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1rxs h ALA 1241CO 0.06 0.31 0.14 0.28 0.00 0.00 0.00 179.25 180.05 1rxs h VAL 1242N 0.95 1.20 -0.59 0.00 2.07 -0.93 0.59 116.25 119.54 1rxs h VAL 1242Ca 0.26 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1rxs h VAL 1242Cb -0.10 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1rxs h VAL 1242CO -0.06 0.22 0.27 0.50 0.02 0.00 0.00 177.57 178.52 1rxs h LYS 1243N 0.48 0.49 -0.47 1.57 3.64 -0.90 -1.73 116.57 119.65 1rxs h LYS 1243Ca 0.13 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1rxs h LYS 1243Cb 0.21 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1rxs h LYS 1243CO -0.01 0.32 0.22 0.82 -2.27 0.00 0.00 179.45 178.53 1rxs h ILE 1244N 0.50 1.19 -0.49 2.00 2.04 -0.00 -1.64 117.51 121.11 1rxs h ILE 1244Ca 0.28 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1rxs h ILE 1244Cb 0.25 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1rxs h ILE 1244CO -0.23 0.21 -0.04 1.62 0.00 0.00 0.00 178.15 179.72 1rxs h VAL 1245N 0.62 1.25 -0.36 1.67 3.04 -0.49 -0.88 116.25 121.10 1rxs h VAL 1245Ca 0.16 -1.10 -0.07 0.00 -1.01 0.00 0.00 66.70 64.68 1rxs h VAL 1245Cb 0.14 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 1rxs h VAL 1245CO -0.02 0.39 -0.05 0.58 -1.01 0.00 0.00 177.57 177.46 1rxs h VAL 1246N 0.78 1.27 -0.17 1.51 2.07 -1.21 -0.65 116.25 119.84 1rxs h VAL 1246Ca 0.14 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 1rxs h VAL 1246Cb 0.53 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1rxs h VAL 1246CO 0.03 0.36 -0.22 -0.08 0.02 0.00 0.00 177.57 177.68 1rxs h GLU 1247N 0.48 0.31 -0.23 1.57 4.57 -1.06 -1.50 114.58 118.72 1rxs h GLU 1247Ca 0.10 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1rxs h GLU 1247Cb 0.53 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1rxs h GLU 1247CO 0.03 0.52 -0.13 0.00 -1.18 0.00 0.00 179.01 178.24 1rxs h ALA 1248N 1.50 0.32 -0.74 2.92 0.00 -0.94 -2.92 119.26 119.39 1rxs h ALA 1248Ca 0.05 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.77 1rxs h ALA 1248Cb 0.55 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1rxs h ALA 1248CO 0.04 0.19 0.31 0.00 0.00 0.00 0.00 179.25 179.79 1rxs h ALA 1249N 0.70 1.05 -0.74 0.00 0.00 -0.76 -0.05 119.26 119.46 1rxs h ALA 1249Ca 0.05 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1rxs h ALA 1249Cb 0.64 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 1rxs h ALA 1249CO 0.04 -0.18 0.25 -0.09 0.00 0.00 0.00 179.25 179.27 1rxs h ARG 1250N 0.47 0.37 0.00 0.00 2.43 -1.10 -0.94 114.38 115.61 1rxs h ARG 1250Ca 0.40 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1rxs h ARG 1250Cb 0.58 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1rxs h ARG 1250CO -0.38 0.24 0.00 0.00 -1.51 0.00 0.00 179.97 178.33 1rxs h ARG 1251N 0.38 0.00 -0.32 0.20 3.08 -0.88 -3.18 114.38 113.66 1rxs h ARG 1251Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1rxs h ARG 1251Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1rxs h ARG 1251CO -0.43 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.75 1rxs n LEU 1252N -2.52 3.28 0.00 3.04 4.77 -0.38 -5.06 117.00 120.14 1rxs n LEU 1252Ca 0.03 -1.44 0.14 0.00 -0.03 0.00 0.00 56.01 54.72 1rxs n LEU 1252Cb 0.37 -0.20 0.85 0.00 -2.33 0.00 0.00 43.42 42.10 1rxs n LEU 1252CO 0.27 0.69 1.02 0.18 -1.33 0.00 0.00 177.39 178.22