#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 -3.46 -3.46 3.32 -1.29 -3.47 116.42 108.05 1rxs h ASP 1005Ca 0.00 -0.04 -0.53 0.00 0.02 0.00 0.00 57.03 56.48 1rxs h ASP 1005Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 1rxs h ASP 1005CO 0.00 0.02 -0.78 0.68 -1.72 0.00 0.00 179.24 177.44 1rxs s VAL 1006N -3.31 1.87 0.16 -1.35 -7.23 -1.23 -5.06 120.40 104.26 1rxs s VAL 1006Ca 0.02 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1rxs s VAL 1006Cb 0.10 -1.89 -0.12 0.00 0.56 0.00 0.00 36.38 35.03 1rxs s VAL 1006CO 0.76 -0.32 1.41 0.15 -0.31 0.00 0.00 175.10 176.78 1rxs h PHE 1007N 3.17 0.61 0.00 2.82 3.57 -1.95 -3.36 116.94 121.81 1rxs h PHE 1007Ca -0.42 -0.28 -0.34 0.00 3.53 0.00 0.00 57.97 60.46 1rxs h PHE 1007Cb 1.21 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.80 1rxs h PHE 1007CO 0.69 1.05 -2.23 0.72 -2.23 0.00 0.00 178.31 176.30 1rxs n HIS 1008N -3.84 0.00 0.31 0.41 8.25 -1.26 -4.67 115.22 114.42 1rxs n HIS 1008Ca -0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.57 1rxs n HIS 1008Cb 0.72 -0.82 0.64 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.30 0.00 -1.45 2.41 3.38 -1.93 -3.44 115.31 113.97 1rxs h LEU 1009Ca -0.51 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.06 1rxs h LEU 1009Cb 1.65 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.49 1rxs h LEU 1009CO -0.18 0.00 -0.77 0.61 0.09 0.00 0.00 178.44 178.19 1rxs n GLY 1010N 0.01 -0.39 3.45 0.83 0.00 -1.26 -4.65 105.19 103.18 1rxs n GLY 1010Ca 0.01 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.79 2.59 0.21 0.99 1.43 -1.26 -4.78 118.68 111.07 1rxs s LEU 1011Ca 0.21 -1.10 0.11 0.00 -1.03 0.00 0.00 54.13 52.33 1rxs s LEU 1011Cb -0.10 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 1rxs s LEU 1011CO 0.78 -0.14 -0.22 0.42 0.23 0.00 0.00 176.35 177.42 1rxs s THR 1012N -2.74 2.45 0.36 5.49 -4.23 -1.26 -0.70 115.64 115.01 1rxs s THR 1012Ca 0.29 -2.06 0.12 0.00 -1.18 0.00 0.00 61.69 58.86 1rxs s THR 1012Cb -0.01 -2.20 0.34 0.00 1.34 0.00 0.00 72.50 71.98 1rxs s THR 1012CO 0.13 -0.17 1.79 0.50 -0.54 0.00 0.00 174.62 176.33 1rxs h LYS 1013N 3.01 0.55 -0.58 3.99 3.64 -1.96 -0.94 116.57 124.28 1rxs h LYS 1013Ca -0.45 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1rxs h LYS 1013Cb 1.22 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1rxs h LYS 1013CO 0.50 0.36 0.35 -0.97 -2.27 0.00 0.00 179.45 177.42 1rxs h ASN 1014N 0.56 0.55 -0.62 4.20 -0.73 -1.95 -2.89 115.58 114.71 1rxs h ASN 1014Ca 0.57 0.01 0.18 0.00 1.87 0.00 0.00 56.30 58.93 1rxs h ASN 1014Cb 1.17 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.63 1rxs h ASN 1014CO -0.33 0.39 0.52 0.44 -0.37 0.00 0.00 177.43 178.08 1rxs h ASP 1015N 0.68 0.00 1.54 1.15 3.32 -1.57 -1.09 116.42 120.46 1rxs h ASP 1015Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 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 -0.11 0.00 -0.35 -0.07 -1.72 0.00 0.00 179.24 176.99 1rxs h LEU 1016N 0.00 0.00 -1.07 1.55 4.07 -1.58 -3.48 115.31 114.80 1rxs h LEU 1016Ca 0.29 -0.02 -0.53 0.00 0.08 0.00 0.00 57.88 57.71 1rxs h LEU 1016Cb 1.32 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.91 1rxs h LEU 1016CO -0.00 0.01 -0.81 0.00 -1.08 0.00 0.00 178.44 176.56 1rxs n GLN 1017N -2.79 -3.90 -0.67 1.13 6.02 -0.41 -1.12 117.38 115.63 1rxs n GLN 1017Ca 0.03 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1rxs n GLN 1017Cb 0.52 -5.22 0.00 0.00 1.02 0.00 0.00 30.24 26.56 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 -1.49 0.71 3.68 1.08 0.00 -1.26 -4.79 105.19 103.13 1rxs n GLY 1018Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 0.01 1.03 -0.65 4.61 0.00 -0.28 -4.92 120.51 120.33 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 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 -0.64 0.06 -4.91 0.00 -2.24 -1.26 -4.34 114.28 100.94 1rxs n THR 1020Ca 0.09 -0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 1rxs n THR 1020Cb 0.42 1.51 -0.16 0.00 -2.10 0.00 0.00 70.33 70.00 1rxs n THR 1020CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxs s LEU 1021N -0.06 2.01 -0.04 3.22 0.20 -1.26 -0.06 118.68 122.68 1rxs s LEU 1021Ca 0.00 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.49 1rxs s LEU 1021Cb 0.00 -0.99 0.01 0.00 -0.43 0.00 0.00 46.19 44.78 1rxs s LEU 1021CO 0.00 0.21 -0.08 0.00 -0.29 0.00 0.00 176.35 176.19 1rxs s ALA 1022N -0.31 0.87 -0.19 5.97 0.00 -0.25 -1.79 121.76 126.07 1rxs s ALA 1022Ca 0.04 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 51.57 1rxs s ALA 1022Cb -0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1rxs s ALA 1022CO 0.00 0.07 0.63 0.42 0.00 0.00 0.00 175.76 176.88 1rxs s ILE 1023N 0.62 5.02 -0.53 0.00 1.01 0.02 -0.47 121.20 126.87 1rxs s ILE 1023Ca -0.10 1.19 0.03 0.00 0.00 0.00 0.00 60.65 61.76 1rxs s ILE 1023Cb -0.13 -3.94 0.13 0.00 0.01 0.00 0.00 42.46 38.53 1rxs s ILE 1023CO 0.01 0.12 0.28 0.68 0.00 0.00 0.00 174.94 176.03 1rxs s VAL 1024N 1.86 2.80 0.82 2.92 -7.23 0.11 -1.49 120.40 120.19 1rxs s VAL 1024Ca 0.29 -3.19 -0.12 0.00 -1.81 0.00 0.00 61.98 57.15 1rxs s VAL 1024Cb -0.16 -2.92 0.09 0.00 0.56 0.00 0.00 36.38 33.95 1rxs s VAL 1024CO 0.11 -0.80 1.18 -2.16 -0.31 0.00 0.00 175.10 173.12 1rxs s PRO 1025N -0.17 1.86 -0.09 4.82 0.04 -1.21 -3.38 135.00 136.87 1rxs s PRO 1025Ca 0.17 0.09 -0.03 0.00 0.04 0.00 0.00 61.00 61.27 1rxs s PRO 1025Cb -0.24 -1.94 -0.26 0.00 0.04 0.00 0.00 34.50 32.10 1rxs s PRO 1025CO -0.01 -1.67 0.48 0.78 0.04 0.00 0.00 177.00 176.62 1rxs h GLY 1026N -1.11 0.25 -6.93 0.56 0.00 -1.84 -1.01 103.07 92.99 1rxs h GLY 1026Ca -0.46 -0.65 -0.62 0.00 0.00 0.00 0.00 47.33 45.60 1rxs h GLY 1026CO 0.65 0.57 -0.06 -0.35 0.00 0.00 0.00 176.54 177.34 1rxs s ASP 1027N -6.87 6.39 0.39 0.19 3.68 -1.26 -1.06 116.67 118.13 1rxs s ASP 1027Ca -0.17 0.45 0.17 0.00 2.13 0.00 0.00 52.55 55.12 1rxs s ASP 1027Cb 0.07 -2.27 1.06 0.00 -1.45 0.00 0.00 42.92 40.33 1rxs s ASP 1027CO 0.79 -0.28 1.78 1.55 0.13 0.00 0.00 175.17 179.14 1rxs h PRO 1028N 8.07 0.43 0.00 4.34 0.13 -1.89 -0.56 132.00 142.52 1rxs h PRO 1028Ca -0.29 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1rxs h PRO 1028Cb 1.14 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1rxs h PRO 1028CO 0.70 0.28 0.00 -0.25 -0.23 0.00 0.00 178.00 178.51 1rxs n ASP 1029N -4.64 0.71 0.03 1.44 8.00 -1.26 -2.39 116.55 118.44 1rxs n ASP 1029Ca 0.25 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.52 1rxs n ASP 1029Cb 0.82 -0.81 0.10 0.00 -0.02 0.00 0.00 41.12 41.21 1rxs n ASP 1029CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1rxs n ARG 1030N -2.26 0.24 0.11 -1.24 0.63 -0.22 -4.41 116.66 109.51 1rxs n ARG 1030Ca 0.03 0.03 -0.13 0.00 -0.92 0.00 0.00 57.85 56.85 1rxs n ARG 1030Cb 0.26 -1.61 -0.08 0.00 0.45 0.00 0.00 32.46 31.48 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 0.88 -0.75 5.15 2.07 -1.47 -2.40 116.25 119.72 1rxs h VAL 1031Ca 0.00 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1rxs h VAL 1031Cb 0.70 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1rxs h VAL 1031CO 0.00 0.05 0.49 -0.08 0.02 0.00 0.00 177.57 178.06 1rxs h GLU 1032N -0.34 0.97 -0.66 1.57 4.81 -1.77 -1.20 114.58 117.95 1rxs h GLU 1032Ca -0.02 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1rxs h GLU 1032Cb 0.27 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1rxs h GLU 1032CO 0.04 0.64 0.31 0.87 -0.73 0.00 0.00 179.01 180.14 1rxs h LYS 1033N 1.00 0.53 0.01 1.92 1.57 -1.75 -0.58 116.57 119.28 1rxs h LYS 1033Ca 0.28 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1rxs h LYS 1033Cb -0.08 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1rxs h LYS 1033CO -0.07 0.35 -0.01 0.82 -0.57 0.00 0.00 179.45 179.97 1rxs h ILE 1034N 0.55 1.32 -1.00 1.86 2.04 -0.94 -3.10 117.51 118.23 1rxs h ILE 1034Ca 0.32 -1.00 0.14 0.00 1.00 0.00 0.00 64.86 65.32 1rxs h ILE 1034Cb 0.34 1.99 -0.09 0.00 -0.74 0.00 0.00 36.82 38.32 1rxs h ILE 1034CO -0.26 0.26 0.63 0.00 0.00 0.00 0.00 178.15 178.77 1rxs h ALA 1035N 0.53 1.57 0.00 1.87 0.00 -1.02 -1.52 119.26 120.69 1rxs h ALA 1035Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rxs h ALA 1035Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rxs h ALA 1035CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1rxs h ALA 1036N 1.57 1.00 -0.00 0.00 0.00 -1.03 0.66 119.26 121.46 1rxs h ALA 1036Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1rxs h ALA 1036Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rxs h ALA 1036CO -0.29 0.00 -0.00 1.28 0.00 0.00 0.00 179.25 180.24 1rxs n LEU 1037N -2.67 0.01 0.00 0.00 4.32 -0.57 -4.85 117.00 113.23 1rxs n LEU 1037Ca -0.02 0.17 -0.30 0.00 -0.02 0.00 0.00 56.01 55.84 1rxs n LEU 1037Cb 0.09 -0.17 -0.05 0.00 -1.62 0.00 0.00 43.42 41.66 1rxs n LEU 1037CO 0.16 0.00 -0.19 0.23 -1.22 0.00 0.00 177.39 176.38 1rxs n MET 1038N -1.17 0.83 -3.29 3.23 2.81 0.22 -5.13 117.12 114.62 1rxs n MET 1038Ca 0.18 -3.44 -0.32 0.00 -1.81 0.00 0.00 57.70 52.31 1rxs n MET 1038Cb 0.19 0.85 -0.05 0.00 -0.71 0.00 0.00 33.22 33.50 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 -3.68 6.64 -1.33 7.83 -0.00 -0.10 -4.51 116.67 121.52 1rxs s ASP 1039Ca 0.04 1.01 -0.06 0.00 -0.00 0.00 0.00 52.55 53.54 1rxs s ASP 1039Cb -0.00 -2.26 -0.00 0.00 -0.00 0.00 0.00 42.92 40.65 1rxs s ASP 1039CO 0.03 -0.15 0.53 0.29 -0.00 0.00 0.00 175.17 175.87 1rxs n LYS 1040N -0.37 -2.89 -2.20 8.23 5.02 -1.26 -0.21 118.16 124.48 1rxs n LYS 1040Ca 0.01 0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 56.31 1rxs n LYS 1040Cb 0.53 -4.44 -0.03 0.00 -0.02 0.00 0.00 35.03 31.07 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 -6.39 4.35 -0.03 1.97 0.04 -1.26 -4.43 135.00 129.25 1rxs s PRO 1041Ca 0.12 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1rxs s PRO 1041Cb -0.05 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1rxs s PRO 1041CO 0.88 -0.35 -0.01 0.08 0.04 0.00 0.00 177.00 177.64 1rxs s VAL 1042N 0.67 0.23 0.13 -0.36 1.01 0.25 -4.99 120.40 117.34 1rxs s VAL 1042Ca 0.61 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 1rxs s VAL 1042Cb -0.36 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 35.62 1rxs s VAL 1042CO 0.34 0.16 1.33 -0.75 0.00 0.00 0.00 175.10 176.18 1rxs s LYS 1043N 1.04 4.36 -0.25 2.72 2.20 -1.26 -1.19 119.74 127.36 1rxs s LYS 1043Ca -0.09 2.01 -0.15 0.00 -0.36 0.00 0.00 55.97 57.37 1rxs s LYS 1043Cb -0.14 -3.25 -0.11 0.00 -1.51 0.00 0.00 37.83 32.82 1rxs s LYS 1043CO -0.02 -0.34 -0.28 1.28 -0.36 0.00 0.00 175.35 175.63 1rxs n LEU 1044N 3.52 1.94 -3.63 5.43 4.77 0.77 -4.89 117.00 124.91 1rxs n LEU 1044Ca 0.09 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1rxs n LEU 1044Cb 0.43 -0.82 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1rxs n LEU 1044CO 0.58 0.35 0.44 0.00 -1.33 0.00 0.00 177.39 177.43 1rxs s ALA 1045N -2.58 -1.43 -0.26 -1.18 0.00 -1.02 -5.00 121.76 110.30 1rxs s ALA 1045Ca -0.35 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1rxs s ALA 1045Cb 0.11 0.86 0.14 0.00 0.00 0.00 0.00 23.12 24.24 1rxs s ALA 1045CO 0.48 -0.90 0.40 0.45 0.00 0.00 0.00 175.76 176.20 1rxs s SER 1046N -2.83 0.09 -0.02 0.00 0.15 -1.26 -0.91 113.70 108.94 1rxs s SER 1046Ca 0.06 0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.91 1rxs s SER 1046Cb -0.03 1.22 0.02 0.00 -1.71 0.00 0.00 66.02 65.51 1rxs s SER 1046CO -0.03 -0.30 0.03 -1.00 1.20 0.00 0.00 173.24 173.13 1rxs s HIS 1047N 2.58 -0.01 0.00 3.44 3.76 -0.33 -5.00 115.29 119.73 1rxs s HIS 1047Ca 0.13 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.15 1rxs s HIS 1047Cb -0.15 -0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.44 1rxs s HIS 1047CO -0.18 -0.05 0.00 0.54 -0.85 0.00 0.00 174.74 174.20 1rxs n ARG 1048N 3.59 0.00 -0.10 1.40 1.74 -1.26 0.52 116.66 122.56 1rxs n ARG 1048Ca -0.19 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.95 1rxs n ARG 1048Cb 0.55 0.00 0.25 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 1.56 -3.46 5.56 0.00 -1.26 -4.76 120.64 132.28 1rxs n GLU 1049Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 57.16 55.87 1rxs n GLU 1049Cb 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 31.44 30.09 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 -1.74 3.29 -0.14 -1.84 0.40 0.19 -4.00 117.98 114.13 1rxs s PHE 1050Ca 0.23 -1.24 -0.01 0.00 -0.60 0.00 0.00 56.93 55.31 1rxs s PHE 1050Cb 0.12 -3.20 -0.02 0.00 0.51 0.00 0.00 43.02 40.43 1rxs s PHE 1050CO 0.18 -0.86 -0.10 0.99 0.70 0.00 0.00 175.22 176.13 1rxs s THR 1051N 1.55 3.31 -0.11 0.64 2.01 -1.26 -1.18 115.64 120.60 1rxs s THR 1051Ca 0.04 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1rxs s THR 1051Cb -0.25 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.86 1rxs s THR 1051CO 0.04 0.51 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.45 1rxs s THR 1052N 0.35 1.47 0.19 -0.82 2.01 -0.08 -1.76 115.64 117.01 1rxs s THR 1052Ca -0.09 -0.63 0.10 0.00 0.31 0.00 0.00 61.69 61.38 1rxs s THR 1052Cb -0.15 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1rxs s THR 1052CO 0.05 0.44 -0.13 0.26 -0.69 0.00 0.00 174.62 174.54 1rxs s TRP 1053N 0.98 2.53 0.01 4.92 0.52 0.10 -0.16 118.94 127.85 1rxs s TRP 1053Ca -0.07 -0.26 0.06 0.00 0.02 0.00 0.00 56.10 55.85 1rxs s TRP 1053Cb -0.15 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.91 1rxs s TRP 1053CO -0.01 0.52 -0.16 0.50 0.02 0.00 0.00 176.95 177.82 1rxs s ARG 1054N -2.86 2.24 0.00 4.98 3.52 -0.33 -0.76 118.95 125.74 1rxs s ARG 1054Ca 0.24 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1rxs s ARG 1054Cb -0.08 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 31.04 1rxs s ARG 1054CO 0.14 0.57 0.00 0.00 -0.81 0.00 0.00 175.30 175.20 1rxs n ALA 1055N 1.79 0.00 -2.97 6.12 0.00 0.03 -0.58 120.51 124.90 1rxs n ALA 1055Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1rxs n ALA 1055Cb 0.52 0.00 -0.14 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 -1.15 0.04 -0.06 0.00 2.12 0.70 -0.80 118.70 119.55 1rxs s GLU 1056Ca 0.00 0.00 -0.02 0.00 0.36 0.00 0.00 54.97 55.32 1rxs s GLU 1056Cb 0.00 -0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.35 1rxs s GLU 1056CO 0.00 -0.01 0.03 -1.17 -0.54 0.00 0.00 175.26 173.57 1rxs s LEU 1057N 0.12 0.39 -1.43 2.70 2.96 0.34 -0.93 118.68 122.84 1rxs s LEU 1057Ca -0.01 -0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1rxs s LEU 1057Cb -0.02 -0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.38 1rxs s LEU 1057CO -0.00 -0.22 0.15 0.47 -1.32 0.00 0.00 176.35 175.42 1rxs n ASP 1058N 5.22 -0.19 -0.20 3.68 8.00 -1.26 -0.87 116.55 130.93 1rxs n ASP 1058Ca -0.05 -1.25 -0.03 0.00 0.71 0.00 0.00 54.79 54.17 1rxs n ASP 1058Cb 0.50 -1.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.05 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 -2.44 0.43 3.48 0.44 0.00 -1.26 -5.00 105.19 100.84 1rxs n GLY 1059Ca -0.27 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.62 2.73 0.30 1.61 1.02 -0.05 -5.09 119.74 118.64 1rxs s LYS 1060Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.04 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 0.55 1.28 -1.25 -0.92 0.00 0.00 175.35 175.02 1rxs s PRO 1061N -0.53 4.40 0.02 -1.68 0.04 -1.26 -0.50 135.00 135.47 1rxs s PRO 1061Ca 0.07 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.27 1rxs s PRO 1061Cb -0.12 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1rxs s PRO 1061CO 0.02 -0.15 -0.06 0.08 0.04 0.00 0.00 177.00 176.92 1rxs s VAL 1062N -0.88 0.48 -0.10 -0.36 1.01 0.02 -4.39 120.40 116.17 1rxs s VAL 1062Ca 0.50 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1rxs s VAL 1062Cb -0.38 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1rxs s VAL 1062CO 0.48 -0.09 0.08 -0.63 0.00 0.00 0.00 175.10 174.95 1rxs s ILE 1063N -0.64 4.98 -0.14 2.22 -1.09 -0.74 -0.79 121.20 125.00 1rxs s ILE 1063Ca -0.03 -0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.41 1rxs s ILE 1063Cb -0.05 -3.15 0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1rxs s ILE 1063CO 0.00 0.60 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.42 1rxs s VAL 1064N -0.98 1.99 -0.05 2.92 1.01 0.06 -0.80 120.40 124.56 1rxs s VAL 1064Ca 0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1rxs s VAL 1064Cb -0.12 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.53 1rxs s VAL 1064CO 0.04 0.53 0.10 0.00 0.00 0.00 0.00 175.10 175.78 1rxs s SER 1066N 1.02 7.10 0.00 0.00 1.04 -0.72 -3.30 113.70 118.85 1rxs s SER 1066Ca -0.08 1.57 0.22 0.00 0.48 0.00 0.00 55.95 58.14 1rxs s SER 1066Cb -0.11 -2.48 -0.28 0.00 0.10 0.00 0.00 66.02 63.25 1rxs s SER 1066CO -0.04 -0.08 0.59 0.35 0.98 0.00 0.00 173.24 175.04 1rxs n THR 1067N 0.36 0.08 -2.87 2.02 -2.24 -0.38 -4.37 114.28 106.88 1rxs n THR 1067Ca 0.01 -0.47 0.02 0.00 -2.27 0.00 0.00 64.05 61.34 1rxs n THR 1067Cb 0.51 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.27 -1.92 3.68 3.38 0.00 -0.22 -3.29 105.19 108.09 1rxs n GLY 1068Ca -0.03 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.49 5.00 0.00 -0.61 1.01 -1.26 -4.69 121.20 120.16 1rxs s ILE 1069Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.00 1rxs s ILE 1069Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1rxs s ILE 1069CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1rxs n GLY 1070N 3.50 1.83 0.36 6.18 0.00 -1.26 -4.62 105.19 111.18 1rxs n GLY 1070Ca -0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.47 0.33 -0.02 0.00 -1.86 -1.57 103.07 99.48 1rxs h GLY 1071Ca 0.00 0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.84 1rxs h GLY 1071CO 0.00 -0.21 -0.22 -2.55 0.00 0.00 0.00 176.54 173.56 1rxs h PRO 1072N -0.36 -0.27 -0.13 4.80 0.11 -1.94 0.57 132.00 134.78 1rxs h PRO 1072Ca 0.12 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 1rxs h PRO 1072Cb 0.57 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1rxs h PRO 1072CO -0.46 -0.18 -0.54 0.66 -0.21 0.00 0.00 178.00 177.27 1rxs h SER 1073N -0.28 0.41 -0.74 -2.05 4.64 -1.79 -1.97 113.55 111.77 1rxs h SER 1073Ca 0.10 -0.21 0.11 0.00 -0.47 0.00 0.00 61.79 61.31 1rxs h SER 1073Cb 0.43 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.33 1rxs h SER 1073CO -0.29 0.87 0.36 0.74 -0.87 0.00 0.00 176.83 177.64 1rxs h THR 1074N 0.29 0.81 -0.02 2.95 2.02 -0.17 -1.97 112.91 116.82 1rxs h THR 1074Ca 0.01 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 1rxs h THR 1074Cb 1.04 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1rxs h THR 1074CO 0.09 0.11 -0.33 0.77 0.37 0.00 0.00 175.52 176.53 1rxs h SER 1075N 0.60 0.03 -0.05 4.18 4.64 0.84 -0.79 113.55 123.00 1rxs h SER 1075Ca 0.37 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1rxs h SER 1075Cb 0.43 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1rxs h SER 1075CO -0.29 0.36 -0.02 0.40 -0.87 0.00 0.00 176.83 176.40 1rxs h ILE 1076N 0.03 1.33 -0.22 0.95 2.04 -0.96 -1.95 117.51 118.74 1rxs h ILE 1076Ca 0.00 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.83 1rxs h ILE 1076Cb 0.60 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1rxs h ILE 1076CO 0.04 0.28 0.13 0.00 0.00 0.00 0.00 178.15 178.61 1rxs h ALA 1077N 0.60 0.27 0.02 1.87 0.00 -0.88 -1.60 119.26 119.55 1rxs h ALA 1077Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rxs h ALA 1077Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rxs h ALA 1077CO 0.01 -0.27 -0.01 0.28 0.00 0.00 0.00 179.25 179.26 1rxs h VAL 1078N 0.27 1.07 -0.37 0.00 2.07 -1.22 0.13 116.25 118.20 1rxs h VAL 1078Ca 0.08 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1rxs h VAL 1078Cb -0.02 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1rxs h VAL 1078CO -0.03 0.08 0.07 -0.08 0.02 0.00 0.00 177.57 177.62 1rxs h GLU 1079N -0.16 0.18 -0.17 1.57 4.57 -1.22 0.95 114.58 120.31 1rxs h GLU 1079Ca -0.00 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 1rxs h GLU 1079Cb 0.15 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1rxs h GLU 1079CO 0.01 0.12 -0.69 0.93 -1.18 0.00 0.00 179.01 178.19 1rxs h GLU 1080N 0.19 0.69 -0.89 1.92 5.08 -1.11 -0.92 114.58 119.54 1rxs h GLU 1080Ca 0.18 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1rxs h GLU 1080Cb 0.21 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1rxs h GLU 1080CO -0.24 1.14 0.56 -0.07 -1.00 0.00 0.00 179.01 179.40 1rxs h LEU 1081N 0.49 1.04 -0.87 1.33 3.38 -0.72 -1.57 115.31 118.39 1rxs h LEU 1081Ca -0.03 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1rxs h LEU 1081Cb 1.29 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1rxs h LEU 1081CO 0.14 0.78 0.27 0.00 0.09 0.00 0.00 178.44 179.72 1rxs h ALA 1082N 1.31 1.10 -0.36 1.53 0.00 -0.27 -0.91 119.26 121.65 1rxs h ALA 1082Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1rxs h ALA 1082Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1rxs h ALA 1082CO -0.06 0.64 0.18 1.96 0.00 0.00 0.00 179.25 181.96 1rxs h GLN 1083N 1.07 0.49 -0.01 0.00 4.20 -0.62 -1.97 115.11 118.27 1rxs h GLN 1083Ca 0.24 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1rxs h GLN 1083Cb 0.23 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1rxs h GLN 1083CO -0.02 0.37 -0.06 1.28 -0.67 0.00 0.00 178.83 179.74 1rxs n LEU 1084N -4.43 0.84 0.00 1.46 4.77 -0.47 -4.91 117.00 114.26 1rxs n LEU 1084Ca 0.02 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1rxs n LEU 1084Cb 0.11 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1rxs n LEU 1084CO 0.36 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1rxs n GLY 1085N 1.18 1.03 3.73 -0.72 0.00 -0.74 -4.81 105.19 104.86 1rxs n GLY 1085Ca 0.18 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 3.25 0.00 -0.61 -1.09 -0.48 -4.48 121.20 115.80 1rxs s ILE 1086Ca 0.00 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 1rxs s ILE 1086Cb 0.00 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1rxs s ILE 1086CO 0.00 0.13 0.00 0.54 -1.23 0.00 0.00 174.94 174.38 1rxs n ARG 1087N 2.96 5.28 -4.37 2.79 5.12 0.91 -4.22 116.66 125.13 1rxs n ARG 1087Ca 0.07 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.77 1rxs n ARG 1087Cb 0.43 -0.57 -0.16 0.00 -1.16 0.00 0.00 32.46 30.99 1rxs n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxs s THR 1088N -1.13 0.82 -0.14 0.55 2.01 -0.85 -1.09 115.64 115.80 1rxs s THR 1088Ca 0.00 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1rxs s THR 1088Cb 0.00 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1rxs s THR 1088CO 0.00 0.29 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.70 1rxs s PHE 1089N 0.77 2.22 -0.25 4.92 0.08 0.13 -1.09 117.98 124.76 1rxs s PHE 1089Ca -0.13 -1.21 -0.04 0.00 0.12 0.00 0.00 56.93 55.67 1rxs s PHE 1089Cb -0.15 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1rxs s PHE 1089CO 0.02 -0.64 -0.02 -0.51 -0.10 0.00 0.00 175.22 173.97 1rxs s LEU 1090N 1.33 3.28 -0.02 -0.37 1.43 0.38 -1.49 118.68 123.21 1rxs s LEU 1090Ca 0.02 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.23 1rxs s LEU 1090Cb -0.13 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1rxs s LEU 1090CO -0.09 -0.12 0.53 -0.60 0.23 0.00 0.00 176.35 176.31 1rxs s ARG 1091N 1.41 4.25 -0.13 1.70 3.52 -0.11 0.06 118.95 129.64 1rxs s ARG 1091Ca 0.02 0.61 0.02 0.00 -0.13 0.00 0.00 55.73 56.26 1rxs s ARG 1091Cb -0.16 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1rxs s ARG 1091CO -0.02 0.39 -0.19 -1.50 -0.81 0.00 0.00 175.30 173.16 1rxs s ILE 1092N -0.21 1.86 0.34 4.11 1.10 -1.22 -1.37 121.20 125.82 1rxs s ILE 1092Ca 0.28 -0.85 0.08 0.00 -0.51 0.00 0.00 60.65 59.65 1rxs s ILE 1092Cb -0.17 -1.67 -0.03 0.00 0.15 0.00 0.00 42.46 40.74 1rxs s ILE 1092CO 0.15 0.51 0.28 -0.83 -2.11 0.00 0.00 174.94 172.94 1rxs s GLY 1093N 0.96 2.42 0.13 1.50 0.00 -0.43 -4.11 107.32 107.79 1rxs s GLY 1093Ca -0.05 -2.06 0.07 0.00 0.00 0.00 0.00 44.72 42.68 1rxs s GLY 1093CO -0.03 -1.50 -0.06 -0.51 0.00 0.00 0.00 173.10 170.99 1rxs s THR 1094N -3.38 3.51 0.12 0.90 -4.23 -1.26 -1.79 115.64 109.51 1rxs s THR 1094Ca 0.40 -1.33 -0.14 0.00 -1.18 0.00 0.00 61.69 59.45 1rxs s THR 1094Cb 0.02 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.19 1rxs s THR 1094CO 0.28 0.03 0.34 0.28 -0.54 0.00 0.00 174.62 175.01 1rxs s THR 1095N -1.42 0.09 -0.19 3.99 -1.32 -0.59 -4.90 115.64 111.30 1rxs s THR 1095Ca 0.24 -0.80 -0.03 0.00 -1.21 0.00 0.00 61.69 59.88 1rxs s THR 1095Cb -0.10 -1.27 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 1rxs s THR 1095CO 0.16 -0.40 -0.05 -0.83 -2.21 0.00 0.00 174.62 171.29 1rxs s GLY 1096N -2.83 1.63 0.52 6.08 0.00 -1.23 -0.97 107.32 110.51 1rxs s GLY 1096Ca 0.05 -1.03 -0.19 0.00 0.00 0.00 0.00 44.72 43.55 1rxs s GLY 1096CO -0.11 0.21 1.04 0.00 0.00 0.00 0.00 173.10 174.24 1rxs s ALA 1097N 1.02 2.85 0.00 3.20 0.00 -0.51 -2.23 121.76 126.08 1rxs s ALA 1097Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.48 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 0.00 -0.45 0.84 0.44 0.00 0.00 0.00 175.76 176.59 1rxs n ILE 1098N -1.32 0.70 -4.02 0.00 -5.35 0.12 -0.92 119.36 108.56 1rxs n ILE 1098Ca 0.09 -0.83 -0.35 0.00 -0.27 0.00 0.00 62.75 61.39 1rxs n ILE 1098Cb 0.53 0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 39.01 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 -0.70 3.59 0.56 6.28 -1.52 -1.23 -4.81 119.66 121.83 1rxs s GLN 1099Ca 0.00 -0.27 0.32 0.00 -1.95 0.00 0.00 55.36 53.45 1rxs s GLN 1099Cb 0.00 -3.13 1.64 0.00 -0.22 0.00 0.00 33.01 31.30 1rxs s GLN 1099CO 0.00 0.55 2.13 -1.00 -0.25 0.00 0.00 175.29 176.71 1rxs h PRO 1100N 5.76 0.00 0.00 2.91 0.13 -1.96 -2.69 132.00 136.15 1rxs h PRO 1100Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.63 0.07 -0.17 -2.39 -0.23 0.00 0.00 178.00 175.91 1rxs n HIS 1101N -3.47 0.18 -3.23 1.56 1.44 -1.26 -4.79 115.22 105.66 1rxs n HIS 1101Ca -0.02 0.05 -0.39 0.00 -2.01 0.00 0.00 57.72 55.35 1rxs n HIS 1101Cb 0.21 -0.52 -0.06 0.00 0.12 0.00 0.00 29.99 29.73 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 -3.03 5.10 0.14 0.61 1.01 -1.02 -5.07 121.20 118.94 1rxs s ILE 1102Ca 0.12 0.99 0.04 0.00 0.00 0.00 0.00 60.65 61.80 1rxs s ILE 1102Cb 0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1rxs s ILE 1102CO 0.60 0.18 0.16 0.20 0.00 0.00 0.00 174.94 176.08 1rxs s ASN 1103N 1.11 5.75 -0.01 3.58 0.02 -1.26 -4.88 114.94 119.26 1rxs s ASN 1103Ca 0.25 -0.01 -0.34 0.00 -1.02 0.00 0.00 52.86 51.74 1rxs s ASN 1103Cb -0.15 -1.59 -0.12 0.00 0.02 0.00 0.00 41.25 39.41 1rxs s ASN 1103CO 0.10 0.09 1.78 0.52 0.02 0.00 0.00 177.10 179.62 1rxs n VAL 1104N -0.18 0.39 0.00 1.60 0.31 -1.26 -1.10 118.33 118.09 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 0.54 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 4.08 2.68 3.78 2.92 0.00 -0.74 -5.02 105.19 112.90 1rxs n GLY 1105Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.38 4.92 -0.11 1.61 -0.00 -0.26 -4.79 116.67 116.67 1rxs s ASP 1106Ca 0.00 1.80 0.01 0.00 -0.00 0.00 0.00 52.55 54.36 1rxs s ASP 1106Cb 0.00 -2.52 -0.02 0.00 -0.00 0.00 0.00 42.92 40.38 1rxs s ASP 1106CO 0.00 -1.75 -0.13 -0.69 -0.00 0.00 0.00 175.17 172.60 1rxs s VAL 1107N -2.80 3.09 -0.17 -1.27 1.01 -0.42 -1.96 120.40 117.88 1rxs s VAL 1107Ca 0.62 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1rxs s VAL 1107Cb -0.17 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1rxs s VAL 1107CO 0.52 0.54 -0.11 -0.76 0.00 0.00 0.00 175.10 175.29 1rxs s LEU 1108N 0.02 2.68 -0.23 3.92 1.43 0.39 -0.72 118.68 126.16 1rxs s LEU 1108Ca -0.04 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1rxs s LEU 1108Cb -0.14 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1rxs s LEU 1108CO 0.04 0.07 0.08 -0.69 0.23 0.00 0.00 176.35 176.08 1rxs s VAL 1109N 0.89 4.56 -0.19 -1.59 1.01 0.02 -0.95 120.40 124.14 1rxs s VAL 1109Ca -0.03 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1rxs s VAL 1109Cb -0.15 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1rxs s VAL 1109CO -0.00 0.37 0.54 -0.89 0.00 0.00 0.00 175.10 175.11 1rxs s THR 1110N 1.24 5.10 0.00 3.92 2.01 -0.92 -1.74 115.64 125.25 1rxs s THR 1110Ca 0.05 1.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.94 1rxs s THR 1110Cb -0.14 -3.86 -0.32 0.00 0.01 0.00 0.00 72.50 68.19 1rxs s THR 1110CO 0.04 0.18 0.88 0.71 -0.69 0.00 0.00 174.62 175.74 1rxs h THR 1111N 5.09 1.17 -3.03 -0.82 1.35 -1.32 -3.40 112.91 111.95 1rxs h THR 1111Ca -0.34 -2.70 -0.01 0.00 -0.55 0.00 0.00 66.41 62.81 1rxs h THR 1111Cb 1.16 2.89 -0.11 0.00 -1.73 0.00 0.00 68.15 70.35 1rxs h THR 1111CO 0.75 0.84 0.20 0.00 -0.25 0.00 0.00 175.52 177.05 1rxs s ALA 1112N -2.60 -1.50 -0.00 6.62 0.00 -1.26 -0.27 121.76 122.75 1rxs s ALA 1112Ca -0.11 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1rxs s ALA 1112Cb 0.05 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 1rxs s ALA 1112CO 0.89 -0.80 -0.21 -1.12 0.00 0.00 0.00 175.76 174.52 1rxs s SER 1113N -2.78 3.53 0.02 0.00 0.01 -0.25 -1.93 113.70 112.30 1rxs s SER 1113Ca 0.03 -0.40 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 1rxs s SER 1113Cb -0.02 -0.54 -0.06 0.00 0.21 0.00 0.00 66.02 65.61 1rxs s SER 1113CO -0.10 0.30 1.51 -0.69 0.41 0.00 0.00 173.24 174.67 1rxs s VAL 1114N -0.75 3.46 -1.07 3.43 1.01 0.11 -4.35 120.40 122.24 1rxs s VAL 1114Ca 0.12 0.85 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 1rxs s VAL 1114Cb -0.10 -3.55 0.14 0.00 0.00 0.00 0.00 36.38 32.87 1rxs s VAL 1114CO 0.01 -0.01 1.31 -0.13 0.00 0.00 0.00 175.10 176.29 1rxs s ARG 1115N 2.59 3.83 -0.47 2.72 0.52 -1.26 -1.43 118.95 125.44 1rxs s ARG 1115Ca 0.68 -2.09 0.03 0.00 -0.52 0.00 0.00 55.73 53.84 1rxs s ARG 1115Cb -0.34 -5.04 0.62 0.00 0.52 0.00 0.00 34.95 30.71 1rxs s ARG 1115CO 0.29 -1.82 1.90 1.28 0.02 0.00 0.00 175.30 176.96 1rxs n LEU 1116N 6.41 6.68 -4.76 2.53 4.77 -0.45 -4.96 117.00 127.22 1rxs n LEU 1116Ca 0.31 -3.74 -0.31 0.00 -0.03 0.00 0.00 56.01 52.24 1rxs n LEU 1116Cb 0.46 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1rxs n LEU 1116CO 0.58 1.14 -0.22 1.51 -1.33 0.00 0.00 177.39 179.07 1rxs s ASP 1117N -1.50 4.17 -0.20 -1.43 -4.77 -1.23 -1.81 116.67 109.91 1rxs s ASP 1117Ca 0.57 -1.55 0.11 0.00 -3.30 0.00 0.00 52.55 48.38 1rxs s ASP 1117Cb 0.48 0.35 -0.20 0.00 -1.09 0.00 0.00 42.92 42.46 1rxs s ASP 1117CO 0.08 -0.82 -0.03 0.61 0.70 0.00 0.00 175.17 175.71 1rxs n GLY 1118N -1.28 -0.69 0.24 2.12 0.00 -1.26 -4.69 105.19 99.63 1rxs n GLY 1118Ca -0.15 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 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 0.57 0.95 -0.72 4.61 0.00 -1.97 -2.78 119.26 119.91 1rxs h ALA 1119Ca -0.50 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.08 1rxs h ALA 1119Cb 2.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 1rxs h ALA 1119CO -0.01 0.61 0.48 0.66 0.00 0.00 0.00 179.25 180.98 1rxs h SER 1120N 0.52 0.71 0.00 0.00 4.64 -1.85 0.28 113.55 117.86 1rxs h SER 1120Ca 0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1rxs h SER 1120Cb 0.75 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1rxs h SER 1120CO 0.06 0.47 0.03 -0.07 -0.87 0.00 0.00 176.83 176.45 1rxs h LEU 1121N 0.81 0.00 -0.10 5.97 3.38 -1.61 0.22 115.31 123.98 1rxs h LEU 1121Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1rxs h LEU 1121Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1rxs h LEU 1121CO -0.09 0.00 -0.06 1.41 0.09 0.00 0.00 178.44 179.78 1rxs n HIS 1122N -2.90 0.00 -0.01 1.13 8.25 1.00 -3.93 115.22 118.75 1rxs n HIS 1122Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1rxs n HIS 1122Cb 0.09 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.15 0.00 -3.60 4.41 3.72 0.68 -5.08 117.46 116.44 1rxs n PHE 1123Ca 0.14 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.38 1rxs n PHE 1123Cb 0.26 -0.10 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.05 -1.53 1.01 4.37 0.00 -0.67 -5.00 121.76 117.89 1rxs s ALA 1124Ca -0.01 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1rxs s ALA 1124Cb 0.01 -0.23 0.20 0.00 0.00 0.00 0.00 23.12 23.09 1rxs s ALA 1124CO 0.08 -0.33 1.08 -1.25 0.00 0.00 0.00 175.76 175.33 1rxs s PRO 1125N -0.85 0.29 0.49 0.00 0.04 -1.26 -3.90 135.00 129.80 1rxs s PRO 1125Ca -0.09 0.83 0.16 0.00 0.04 0.00 0.00 61.00 61.94 1rxs s PRO 1125Cb -0.02 -1.70 1.18 0.00 0.04 0.00 0.00 34.50 34.00 1rxs s PRO 1125CO 0.07 -2.91 2.07 1.25 0.04 0.00 0.00 177.00 177.52 1rxs h LEU 1126N -2.03 0.15 -0.88 -3.56 5.85 -1.94 -1.25 115.31 111.64 1rxs h LEU 1126Ca -0.54 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1rxs h LEU 1126Cb 1.31 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1rxs h LEU 1126CO 0.53 0.10 0.00 -1.84 -0.34 0.00 0.00 178.44 176.89 1rxs n GLU 1127N -4.48 0.19 -2.76 1.25 0.00 -1.26 -4.67 120.64 108.90 1rxs n GLU 1127Ca 0.03 0.48 -0.42 0.00 0.00 0.00 0.00 57.16 57.25 1rxs n GLU 1127Cb 0.25 -1.90 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 1rxs n GLU 1127CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1rxs s PHE 1128N -3.38 3.67 0.03 -1.84 5.36 -0.47 -4.98 117.98 116.36 1rxs s PHE 1128Ca 0.03 1.64 -0.30 0.00 -0.96 0.00 0.00 56.93 57.34 1rxs s PHE 1128Cb 0.09 -3.06 -0.05 0.00 -0.34 0.00 0.00 43.02 39.65 1rxs s PHE 1128CO 0.35 0.03 1.22 -1.25 -1.46 0.00 0.00 175.22 174.12 1rxs s PRO 1129N 0.86 4.40 -1.05 10.12 0.04 -1.26 -4.91 135.00 143.19 1rxs s PRO 1129Ca 0.49 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 63.17 1rxs s PRO 1129Cb -0.21 -3.41 -0.08 0.00 0.04 0.00 0.00 34.50 30.84 1rxs s PRO 1129CO 0.27 -0.33 2.17 0.00 0.04 0.00 0.00 177.00 179.15 1rxs n ALA 1130N 4.34 4.72 -2.61 8.56 0.00 -1.26 -4.79 120.51 129.47 1rxs n ALA 1130Ca 0.10 -2.98 -0.38 0.00 0.00 0.00 0.00 53.44 50.18 1rxs n ALA 1130Cb 0.46 -3.37 -0.06 0.00 0.00 0.00 0.00 19.45 16.48 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 3.78 5.17 0.57 0.00 0.11 -1.26 -1.09 120.40 127.68 1rxs s VAL 1131Ca 0.51 0.67 -0.15 0.00 -2.93 0.00 0.00 61.98 60.08 1rxs s VAL 1131Cb 0.13 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.30 1rxs s VAL 1131CO 0.01 0.57 1.03 0.00 -3.33 0.00 0.00 175.10 173.37 1rxs s ALA 1132N -0.89 2.88 0.34 1.54 0.00 0.63 -4.67 121.76 121.59 1rxs s ALA 1132Ca 0.21 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 1rxs s ALA 1132Cb -0.15 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1rxs s ALA 1132CO 0.10 -0.62 1.29 0.34 0.00 0.00 0.00 175.76 176.87 1rxs s ASP 1133N -3.07 6.76 0.13 0.00 -1.08 0.20 -4.93 116.67 114.68 1rxs s ASP 1133Ca 0.61 2.64 -0.15 0.00 -0.52 0.00 0.00 52.55 55.13 1rxs s ASP 1133Cb -0.13 -2.65 0.00 0.00 -1.46 0.00 0.00 42.92 38.68 1rxs s ASP 1133CO 0.37 -0.54 1.64 0.15 0.52 0.00 0.00 175.17 177.31 1rxs h PHE 1134N 3.32 0.72 -0.38 -5.34 3.04 -1.95 -1.07 116.94 115.28 1rxs h PHE 1134Ca -0.49 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 61.35 1rxs h PHE 1134Cb 1.23 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 1rxs h PHE 1134CO 0.56 0.67 0.14 0.93 -2.02 0.00 0.00 178.31 178.59 1rxs h GLU 1135N 0.56 0.57 -0.20 1.11 5.08 -1.96 -0.14 114.58 119.60 1rxs h GLU 1135Ca 0.14 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1rxs h GLU 1135Cb 0.31 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1rxs h GLU 1135CO 0.00 0.55 0.04 0.00 -1.00 0.00 0.00 179.01 178.61 1rxs h THR 1137N 0.13 0.95 0.06 0.00 2.02 -1.02 0.12 112.91 115.16 1rxs h THR 1137Ca 0.09 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1rxs h THR 1137Cb 0.08 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1rxs h THR 1137CO -0.11 0.08 -0.10 0.74 0.37 0.00 0.00 175.52 176.50 1rxs h THR 1138N 0.44 0.77 -0.95 3.16 2.02 -0.63 0.17 112.91 117.89 1rxs h THR 1138Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 1rxs h THR 1138Cb 0.12 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 1rxs h THR 1138CO -0.15 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.33 1rxs h ALA 1139N 0.72 1.35 -0.16 6.16 0.00 -0.61 0.18 119.26 126.90 1rxs h ALA 1139Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1139Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rxs h ALA 1139CO -0.05 0.30 0.01 -0.07 0.00 0.00 0.00 179.25 179.44 1rxs h LEU 1140N 1.03 0.27 -0.66 0.00 3.38 -0.03 -0.46 115.31 118.84 1rxs h LEU 1140Ca 0.43 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1rxs h LEU 1140Cb 0.28 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1rxs h LEU 1140CO -0.21 0.49 0.28 0.58 0.09 0.00 0.00 178.44 179.68 1rxs h VAL 1141N 0.03 1.23 -0.13 1.22 2.07 -0.14 -1.27 116.25 119.26 1rxs h VAL 1141Ca 0.05 -0.70 -0.16 0.00 0.82 0.00 0.00 66.70 66.71 1rxs h VAL 1141Cb 0.35 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1rxs h VAL 1141CO 0.01 0.28 -0.59 -0.33 0.02 0.00 0.00 177.57 176.96 1rxs h GLU 1142N 0.92 0.44 -0.46 1.57 5.08 -0.59 -1.74 114.58 119.80 1rxs h GLU 1142Ca 0.22 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1rxs h GLU 1142Cb 0.17 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1rxs h GLU 1142CO -0.02 0.90 0.03 0.00 -1.00 0.00 0.00 179.01 178.92 1rxs h ALA 1143N 1.03 0.61 -0.54 3.43 0.00 -0.82 -1.74 119.26 121.24 1rxs h ALA 1143Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1rxs h ALA 1143Cb 1.13 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1rxs h ALA 1143CO 0.10 0.38 0.28 0.00 0.00 0.00 0.00 179.25 180.01 1rxs h ALA 1144N 0.93 0.69 -0.88 0.00 0.00 -1.01 -2.29 119.26 116.69 1rxs h ALA 1144Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rxs h ALA 1144Cb 0.45 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1rxs h ALA 1144CO 0.02 -0.06 0.54 -0.22 0.00 0.00 0.00 179.25 179.53 1rxs h LYS 1145N 0.54 1.19 0.00 0.00 1.63 -1.13 -1.47 116.57 117.34 1rxs h LYS 1145Ca 0.23 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1rxs h LYS 1145Cb 0.13 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1rxs h LYS 1145CO -0.15 0.82 -0.26 0.66 -3.45 0.00 0.00 179.45 177.07 1rxs h SER 1146N 1.22 0.00 -0.02 4.20 4.64 -0.75 -2.70 113.55 120.13 1rxs h SER 1146Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1rxs h SER 1146Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1rxs h SER 1146CO -0.06 0.26 -0.07 2.30 -0.87 0.00 0.00 176.83 178.39 1rxs n ILE 1147N -3.44 0.00 -1.00 0.95 -6.64 -1.03 -5.01 119.36 103.20 1rxs n ILE 1147Ca -0.00 -0.46 0.00 0.00 -1.77 0.00 0.00 62.75 60.52 1rxs n ILE 1147Cb 0.44 1.30 0.00 0.00 -1.44 0.00 0.00 39.64 39.95 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 0.96 0.39 3.79 3.28 0.00 -0.58 -5.03 105.19 107.99 1rxs n GLY 1148Ca 0.09 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 2.88 -0.12 4.61 0.00 -1.07 -5.00 121.76 121.06 1rxs s ALA 1149Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 1rxs s ALA 1149Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1rxs s ALA 1149CO 0.00 -0.45 1.00 0.95 0.00 0.00 0.00 175.76 177.26 1rxs s THR 1150N -1.82 4.78 0.01 0.00 -4.23 -1.26 -4.75 115.64 108.37 1rxs s THR 1150Ca 0.66 2.03 0.06 0.00 -1.18 0.00 0.00 61.69 63.26 1rxs s THR 1150Cb -0.21 -4.31 -0.02 0.00 1.34 0.00 0.00 72.50 69.31 1rxs s THR 1150CO 0.25 -0.02 -0.19 -0.89 -0.54 0.00 0.00 174.62 173.23 1rxs s THR 1151N 2.16 1.48 -0.04 3.99 2.01 -1.26 -1.30 115.64 122.69 1rxs s THR 1151Ca 0.47 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.59 1rxs s THR 1151Cb -0.18 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 1rxs s THR 1151CO 0.16 0.29 -0.25 -1.00 -0.69 0.00 0.00 174.62 173.13 1rxs s HIS 1152N -0.61 2.37 -0.15 4.92 3.76 0.10 -4.95 115.29 120.73 1rxs s HIS 1152Ca 0.07 -0.58 0.02 0.00 -0.15 0.00 0.00 55.06 54.42 1rxs s HIS 1152Cb -0.08 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.08 1rxs s HIS 1152CO 0.00 -0.13 -0.20 0.08 -0.85 0.00 0.00 174.74 173.64 1rxs s VAL 1153N -0.38 2.20 -2.78 -0.90 1.01 -1.26 -0.80 120.40 117.49 1rxs s VAL 1153Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1rxs s VAL 1153Cb -0.12 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1rxs s VAL 1153CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1rxs n GLY 1154N 4.11 -0.58 3.81 4.51 0.00 -0.71 -4.95 105.19 111.39 1rxs n GLY 1154Ca -0.20 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 4.91 -0.01 1.61 1.01 -1.26 -0.80 120.40 122.37 1rxs s VAL 1155Ca 0.00 1.03 0.07 0.00 0.00 0.00 0.00 61.98 63.08 1rxs s VAL 1155Cb 0.00 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1rxs s VAL 1155CO 0.00 0.54 -0.22 -0.89 0.00 0.00 0.00 175.10 174.53 1rxs s THR 1156N -0.93 2.41 -0.21 3.92 2.01 -0.81 -0.52 115.64 121.50 1rxs s THR 1156Ca 0.26 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1rxs s THR 1156Cb -0.18 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1rxs s THR 1156CO 0.16 0.53 0.43 0.00 -0.69 0.00 0.00 174.62 175.05 1rxs s ALA 1157N -0.70 3.56 -0.33 7.40 0.00 -0.10 0.08 121.76 131.66 1rxs s ALA 1157Ca 0.11 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1rxs s ALA 1157Cb -0.10 -2.69 0.07 0.00 0.00 0.00 0.00 23.12 20.40 1rxs s ALA 1157CO 0.00 -0.38 0.05 0.45 0.00 0.00 0.00 175.76 175.89 1rxs s SER 1158N 1.13 4.96 -0.07 0.00 0.15 -0.52 -1.59 113.70 117.76 1rxs s SER 1158Ca 0.20 -1.56 0.01 0.00 0.70 0.00 0.00 55.95 55.30 1rxs s SER 1158Cb -0.15 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1rxs s SER 1158CO 0.09 -0.34 -0.08 -0.55 1.20 0.00 0.00 173.24 173.55 1rxs s SER 1159N 1.37 4.54 0.05 5.45 0.15 0.41 -1.34 113.70 124.33 1rxs s SER 1159Ca -0.00 -0.06 0.15 0.00 0.70 0.00 0.00 55.95 56.74 1rxs s SER 1159Cb -0.20 -1.15 0.63 0.00 -1.71 0.00 0.00 66.02 63.59 1rxs s SER 1159CO -0.03 0.35 1.47 0.47 1.20 0.00 0.00 173.24 176.70 1rxs n ASP 1160N 2.32 0.13 -4.35 5.45 10.43 -0.75 -4.34 116.55 125.45 1rxs n ASP 1160Ca -0.18 0.54 -0.20 0.00 2.57 0.00 0.00 54.79 57.52 1rxs n ASP 1160Cb 0.53 -0.56 -0.10 0.00 1.84 0.00 0.00 41.12 42.82 1rxs n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1rxs s THR 1161N -3.07 1.80 -0.02 -3.53 -4.23 -1.26 -5.00 115.64 100.33 1rxs s THR 1161Ca 0.06 -2.11 0.12 0.00 -1.18 0.00 0.00 61.69 58.58 1rxs s THR 1161Cb 0.08 -1.97 -0.20 0.00 1.34 0.00 0.00 72.50 71.75 1rxs s THR 1161CO 0.26 -0.48 0.87 0.15 -0.54 0.00 0.00 174.62 174.88 1rxs h PHE 1162N 2.81 0.00 0.00 3.99 3.57 -1.97 -3.39 116.94 121.96 1rxs h PHE 1162Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1rxs h PHE 1162Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1rxs h PHE 1162CO 0.71 0.92 0.00 0.66 -2.23 0.00 0.00 178.31 178.37 1rxs n TYR 1163N -3.10 0.00 -0.26 0.41 4.02 -1.26 -4.33 117.16 112.64 1rxs n TYR 1163Ca -0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.73 1rxs n TYR 1163Cb 0.98 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 40.39 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 1.12 0.00 -0.72 0.13 -1.88 0.16 132.00 130.80 1rxs h PRO 1164Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1rxs h PRO 1164Cb 0.00 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 30.95 1rxs h PRO 1164CO 0.00 0.93 0.00 0.78 -0.23 0.00 0.00 178.00 179.48 1rxs h GLY 1165N 1.12 0.00 -2.09 1.56 0.00 -1.87 0.41 103.07 102.20 1rxs h GLY 1165Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 1rxs h GLY 1165CO -0.02 0.00 0.03 -1.06 0.00 0.00 0.00 176.54 175.50 1rxs n GLN 1166N -2.58 2.68 -4.13 4.80 6.02 -0.96 -4.92 117.38 118.29 1rxs n GLN 1166Ca 0.01 -2.99 -0.30 0.00 -0.01 0.00 0.00 57.00 53.71 1rxs n GLN 1166Cb 0.22 -1.90 -0.05 0.00 1.02 0.00 0.00 30.24 29.53 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 -0.67 -1.86 -3.16 -1.09 2.13 0.13 -4.95 120.64 111.17 1rxs n GLU 1167Ca 0.29 0.23 -0.39 0.00 0.66 0.00 0.00 57.16 57.95 1rxs n GLU 1167Cb 1.03 -3.91 -0.05 0.00 0.27 0.00 0.00 31.44 28.78 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 -7.00 4.38 -0.01 5.31 0.52 0.51 -4.97 118.95 117.69 1rxs s ARG 1168Ca 0.05 0.69 0.22 0.00 -0.52 0.00 0.00 55.73 56.17 1rxs s ARG 1168Cb -0.03 -3.45 -0.24 0.00 0.52 0.00 0.00 34.95 31.75 1rxs s ARG 1168CO 0.95 0.08 0.74 0.66 0.02 0.00 0.00 175.30 177.74 1rxs n TYR 1169N 3.84 0.04 -2.48 -0.53 4.01 -1.26 -4.41 117.16 116.37 1rxs n TYR 1169Ca -0.04 0.01 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 1rxs n TYR 1169Cb 0.51 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -1.89 4.88 -3.52 7.72 4.64 -1.26 -4.07 116.55 123.05 1rxs n ASP 1170Ca 0.00 -2.98 -0.16 0.00 -1.38 0.00 0.00 54.79 50.27 1rxs n ASP 1170Cb 0.45 -1.60 -0.07 0.00 -1.04 0.00 0.00 41.12 38.85 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 2.12 0.00 0.18 5.18 -4.23 -1.26 -5.01 115.64 112.62 1rxs s THR 1171Ca 0.45 -1.87 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 1rxs s THR 1171Cb 0.05 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.45 1rxs s THR 1171CO 0.00 0.00 1.81 0.22 -0.54 0.00 0.00 174.62 176.11 1rxs h TYR 1172N 2.23 0.56 0.00 3.99 5.03 -1.99 -2.89 116.97 123.91 1rxs h TYR 1172Ca -0.28 0.02 -0.23 0.00 2.58 0.00 0.00 58.73 60.82 1rxs h TYR 1172Cb 1.24 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 39.30 1rxs h TYR 1172CO 1.32 0.30 -1.41 0.66 -1.32 0.00 0.00 178.16 177.71 1rxs h SER 1173N 0.59 0.00 -0.23 -2.11 4.64 -1.97 -3.48 113.55 110.99 1rxs h SER 1173Ca 0.23 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 1rxs h SER 1173Cb 0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 1rxs h SER 1173CO -0.13 0.84 -0.09 0.61 -0.87 0.00 0.00 176.83 177.20 1rxs n GLY 1174N 1.45 0.75 3.07 -0.77 0.00 -1.09 -5.00 105.19 103.60 1rxs n GLY 1174Ca -0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.23 0.50 -0.08 1.61 1.70 -1.26 -4.92 118.95 114.27 1rxs s ARG 1175Ca 0.00 -0.77 0.04 0.00 -0.47 0.00 0.00 55.73 54.54 1rxs s ARG 1175Cb 0.00 0.19 -0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1rxs s ARG 1175CO 0.00 -0.11 -0.23 0.08 -1.08 0.00 0.00 175.30 173.96 1rxs s VAL 1176N -2.42 1.96 0.34 4.99 1.01 -1.26 -4.93 120.40 120.09 1rxs s VAL 1176Ca -0.07 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 1rxs s VAL 1176Cb -0.03 -1.69 -0.13 0.00 0.00 0.00 0.00 36.38 34.54 1rxs s VAL 1176CO -0.04 0.54 0.81 0.55 0.00 0.00 0.00 175.10 176.96 1rxs n VAL 1177N 3.36 2.01 -0.29 2.92 3.14 -1.26 -4.63 118.33 123.58 1rxs n VAL 1177Ca -0.19 -0.50 0.07 0.00 -2.96 0.00 0.00 64.34 60.76 1rxs n VAL 1177Cb 0.53 -0.76 0.17 0.00 -1.06 0.00 0.00 33.84 32.71 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 1.42 0.06 -0.72 1.45 2.43 -1.99 0.39 114.38 117.42 1rxs h ARG 1178Ca -0.39 -0.00 0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1rxs h ARG 1178Cb 1.37 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 1rxs h ARG 1178CO 0.57 0.04 0.49 1.25 -1.51 0.00 0.00 179.97 180.81 1rxs h HIS 1179N 0.06 0.29 -0.02 2.20 2.76 -2.03 -2.58 115.15 115.83 1rxs h HIS 1179Ca 0.45 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.63 1rxs h HIS 1179Cb 0.80 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1rxs h HIS 1179CO -0.50 0.10 -0.44 1.19 -1.30 0.00 0.00 177.93 176.98 1rxs n PHE 1180N -4.43 0.00 -1.91 5.26 3.01 0.09 -4.80 117.46 114.69 1rxs n PHE 1180Ca 0.14 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.18 1rxs n PHE 1180Cb 0.62 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.06 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 -2.44 4.19 0.00 -1.08 2.20 -0.97 -1.42 119.74 120.22 1rxs s LYS 1181Ca 0.19 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1rxs s LYS 1181Cb 0.18 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1rxs s LYS 1181CO 0.55 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1rxs n GLY 1182N 4.00 0.34 0.16 5.54 0.00 -1.26 -4.92 105.19 109.05 1rxs n GLY 1182Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 0.26 -0.38 1.61 4.64 -1.55 -3.09 113.55 115.04 1rxs h SER 1183Ca 0.00 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1rxs h SER 1183Cb 0.35 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1rxs h SER 1183CO 0.00 0.83 0.06 -0.03 -0.87 0.00 0.00 176.83 176.82 1rxs h MET 1184N 0.16 0.63 -0.91 4.77 -1.53 -1.91 -1.47 114.93 114.67 1rxs h MET 1184Ca -0.01 -0.17 0.06 0.00 -3.44 0.00 0.00 59.70 56.14 1rxs h MET 1184Cb 1.16 -0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 32.08 1rxs h MET 1184CO 0.10 0.69 0.58 1.49 0.14 0.00 0.00 176.91 179.91 1rxs h GLU 1185N 0.48 1.04 -0.03 0.39 4.81 -1.96 0.14 114.58 119.44 1rxs h GLU 1185Ca 0.12 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1rxs h GLU 1185Cb 0.36 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1rxs h GLU 1185CO 0.01 0.69 0.01 0.93 -0.73 0.00 0.00 179.01 179.92 1rxs h GLU 1186N 1.07 0.04 -0.72 1.92 4.39 -1.37 -1.66 114.58 118.26 1rxs h GLU 1186Ca 0.39 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1rxs h GLU 1186Cb 0.13 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1rxs h GLU 1186CO -0.16 0.18 0.40 -1.49 -1.16 0.00 0.00 179.01 176.79 1rxs h TRP 1187N -0.11 0.96 -0.27 4.33 -0.00 -0.92 -1.67 115.95 118.26 1rxs h TRP 1187Ca 0.01 -0.01 0.05 0.00 -0.00 0.00 0.00 58.89 58.94 1rxs h TRP 1187Cb 0.16 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 28.96 1rxs h TRP 1187CO -0.02 0.66 -0.00 0.37 -0.00 0.00 0.00 178.44 179.44 1rxs h GLN 1188N 0.99 0.08 0.00 0.49 4.15 -0.53 -1.30 115.11 118.98 1rxs h GLN 1188Ca 0.26 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.62 1rxs h GLN 1188Cb 0.00 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1rxs h GLN 1188CO -0.04 0.05 -0.25 0.00 -1.93 0.00 0.00 178.83 176.66 1rxs h ALA 1189N 1.23 1.18 -0.13 3.38 0.00 -0.69 -1.76 119.26 122.47 1rxs h ALA 1189Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rxs h ALA 1189Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rxs h ALA 1189CO -0.22 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.01 1rxs n MET 1190N -3.64 1.62 -0.83 0.00 2.81 -0.69 -4.91 117.12 111.49 1rxs n MET 1190Ca -0.01 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.95 1rxs n MET 1190Cb 0.37 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 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 1.08 0.57 3.76 3.03 0.00 -0.66 -5.02 105.19 107.95 1rxs n GLY 1191Ca 0.16 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 2.39 0.02 1.61 1.01 -0.53 -4.61 120.40 118.28 1rxs s VAL 1192Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 1rxs s VAL 1192Cb 0.00 -3.22 -0.33 0.00 0.00 0.00 0.00 36.38 32.82 1rxs s VAL 1192CO 0.00 0.07 0.93 0.24 0.00 0.00 0.00 175.10 176.34 1rxs h MET 1193N 4.26 0.47 -2.29 2.72 0.00 -1.13 -3.42 114.93 115.54 1rxs h MET 1193Ca -0.48 -0.80 0.19 0.00 0.00 0.00 0.00 59.70 58.61 1rxs h MET 1193Cb 1.22 0.30 -0.08 0.00 0.00 0.00 0.00 31.60 33.04 1rxs h MET 1193CO 0.73 1.37 0.50 0.54 0.00 0.00 0.00 176.91 180.06 1rxs s ASN 1194N -7.44 -0.17 -0.01 1.22 4.22 -1.26 -0.71 114.94 110.79 1rxs s ASN 1194Ca -0.10 -0.39 0.05 0.00 -2.14 0.00 0.00 52.86 50.29 1rxs s ASN 1194Cb 0.05 0.47 -0.03 0.00 1.28 0.00 0.00 41.25 43.02 1rxs s ASN 1194CO 0.91 -0.87 -0.17 -0.31 -2.04 0.00 0.00 177.10 174.63 1rxs s TYR 1195N -3.23 2.60 0.00 1.54 4.12 -0.94 -0.93 117.35 120.51 1rxs s TYR 1195Ca 0.12 -0.23 0.00 0.00 0.02 0.00 0.00 57.07 56.98 1rxs s TYR 1195Cb -0.01 -1.56 0.00 0.00 -1.52 0.00 0.00 41.96 38.87 1rxs s TYR 1195CO 0.02 0.18 0.00 -0.85 0.02 0.00 0.00 175.55 174.92 1rxs n GLU 1196N 2.06 0.00 0.00 -0.62 -0.00 -0.62 -3.57 120.64 117.88 1rxs n GLU 1196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1rxs n GLU 1196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 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 1.37 0.00 3.44 2.81 -1.26 -0.44 117.12 123.04 1rxs n MET 1197Ca 0.00 -0.98 0.00 0.00 -1.81 0.00 0.00 57.70 54.91 1rxs n MET 1197Cb 0.00 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.26 3.29 -0.18 0.03 4.71 -1.26 -3.43 120.64 123.55 1rxs n GLU 1198Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 1rxs n GLU 1198Cb 0.25 -0.69 0.04 0.00 -1.01 0.00 0.00 31.44 30.04 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 0.99 -0.72 1.62 4.64 -1.93 -1.22 113.55 116.93 1rxs h SER 1199Ca 0.00 -0.31 0.13 0.00 -0.47 0.00 0.00 61.79 61.14 1rxs h SER 1199Cb 0.08 -0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 61.81 1rxs h SER 1199CO 0.00 1.09 0.28 0.00 -0.87 0.00 0.00 176.83 177.33 1rxs h ALA 1200N 1.00 0.99 -0.12 5.18 0.00 -1.87 0.37 119.26 124.80 1rxs h ALA 1200Ca 0.15 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1rxs h ALA 1200Cb 0.64 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1rxs h ALA 1200CO 0.04 -0.20 -0.18 1.15 0.00 0.00 0.00 179.25 180.06 1rxs h THR 1201N 0.44 1.37 0.13 0.00 2.02 -1.72 -2.13 112.91 113.02 1rxs h THR 1201Ca 0.39 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1rxs h THR 1201Cb 0.56 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1rxs h THR 1201CO -0.38 0.41 -0.06 0.25 0.37 0.00 0.00 175.52 176.11 1rxs h LEU 1202N -0.06 -0.14 -0.64 2.58 5.85 -0.61 -1.11 115.31 121.18 1rxs h LEU 1202Ca 0.01 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 1rxs h LEU 1202Cb 0.75 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1rxs h LEU 1202CO 0.04 -0.03 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.87 1rxs h LEU 1203N -0.25 0.91 -0.30 2.25 3.38 -0.34 -1.32 115.31 119.64 1rxs h LEU 1203Ca -0.02 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 1rxs h LEU 1203Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1rxs h LEU 1203CO 0.03 1.06 -0.18 0.74 0.09 0.00 0.00 178.44 180.18 1rxs h THR 1204N 0.79 1.30 -0.10 0.22 2.02 -1.29 0.19 112.91 116.03 1rxs h THR 1204Ca 0.12 -1.30 -0.15 0.00 0.77 0.00 0.00 66.41 65.84 1rxs h THR 1204Cb 0.70 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1rxs h THR 1204CO 0.05 0.42 -0.60 0.00 0.37 0.00 0.00 175.52 175.76 1rxs h MET 1205N 0.40 0.34 -0.01 6.66 -0.00 -1.06 -2.19 114.93 119.06 1rxs h MET 1205Ca 0.06 -0.23 -0.02 0.00 -0.00 0.00 0.00 59.70 59.51 1rxs h MET 1205Cb 0.72 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.35 1rxs h MET 1205CO 0.05 0.84 -0.08 0.00 -0.00 0.00 0.00 176.91 177.71 1rxs h ALA 1207N 0.28 2.32 -0.12 0.00 0.00 -0.94 -1.06 119.26 119.74 1rxs h ALA 1207Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 1207Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1rxs h ALA 1207CO 0.02 -0.50 0.00 -1.13 0.00 0.00 0.00 179.25 177.64 1rxs n SER 1208N -4.42 2.40 -0.15 0.00 3.41 -0.83 -4.24 113.62 109.78 1rxs n SER 1208Ca 0.12 -1.80 0.03 0.00 -0.26 0.00 0.00 58.87 56.96 1rxs n SER 1208Cb 0.57 -0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.84 1.12 -1.40 4.33 6.02 -0.59 -5.00 117.38 122.70 1rxs n GLN 1209Ca 0.17 -1.54 -0.08 0.00 -0.01 0.00 0.00 57.00 55.54 1rxs n GLN 1209Cb 0.48 -0.94 -0.03 0.00 1.02 0.00 0.00 30.24 30.77 1rxs n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 1210N -0.59 0.80 3.80 1.08 0.00 -1.02 -5.02 105.19 104.24 1rxs n GLY 1210Ca 0.05 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1rxs n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 1211N -1.87 3.95 -0.13 0.99 1.43 -0.51 -5.05 118.68 117.49 1rxs s LEU 1211Ca 0.00 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 1rxs s LEU 1211Cb 0.00 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1rxs s LEU 1211CO 0.00 0.24 0.38 -0.13 0.23 0.00 0.00 176.35 177.08 1rxs s ARG 1212N -1.94 4.27 0.01 1.70 0.52 -0.25 -3.95 118.95 119.31 1rxs s ARG 1212Ca 0.25 0.28 0.01 0.00 -0.52 0.00 0.00 55.73 55.75 1rxs s ARG 1212Cb -0.12 -3.42 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1rxs s ARG 1212CO 0.17 0.23 -0.04 0.00 0.02 0.00 0.00 175.30 175.68 1rxs s ALA 1213N 0.44 0.27 0.07 2.13 0.00 -1.26 0.22 121.76 123.63 1rxs s ALA 1213Ca 0.21 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1rxs s ALA 1213Cb -0.14 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1rxs s ALA 1213CO 0.07 -0.02 -0.04 0.20 0.00 0.00 0.00 175.76 175.97 1rxs s GLY 1214N -0.76 0.61 -0.02 0.00 0.00 -0.56 -0.63 107.32 105.96 1rxs s GLY 1214Ca -0.06 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.39 1rxs s GLY 1214CO -0.00 -1.37 -0.01 1.06 0.00 0.00 0.00 173.10 172.78 1rxs s MET 1215N -3.89 0.22 -0.03 2.90 -1.94 -1.26 -0.94 119.30 114.37 1rxs s MET 1215Ca 0.10 0.02 -0.03 0.00 -1.71 0.00 0.00 55.69 54.07 1rxs s MET 1215Cb 0.07 -0.34 0.01 0.00 2.01 0.00 0.00 34.83 36.58 1rxs s MET 1215CO -0.07 -0.06 0.07 0.54 -0.01 0.00 0.00 175.02 175.49 1rxs s VAL 1216N 0.59 0.01 0.01 -6.03 0.11 -0.47 -2.16 120.40 112.46 1rxs s VAL 1216Ca -0.06 -0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 58.85 1rxs s VAL 1216Cb -0.09 -0.14 -0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1rxs s VAL 1216CO -0.01 -0.04 0.14 0.00 -3.33 0.00 0.00 175.10 171.86 1rxs s ALA 1217N -0.09 -0.29 0.02 1.54 0.00 -0.13 -1.31 121.76 121.51 1rxs s ALA 1217Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 1rxs s ALA 1217Cb -0.01 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1rxs s ALA 1217CO 0.00 -0.25 0.36 0.20 0.00 0.00 0.00 175.76 176.07 1rxs s GLY 1218N -1.60 2.36 -0.29 0.00 0.00 -0.74 -0.46 107.32 106.59 1rxs s GLY 1218Ca -0.12 -0.38 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 1rxs s GLY 1218CO -0.00 -0.11 0.94 0.14 0.00 0.00 0.00 173.10 174.06 1rxs s VAL 1219N -1.24 4.69 -0.05 1.40 1.01 -0.83 -1.55 120.40 123.82 1rxs s VAL 1219Ca 0.27 1.59 0.17 0.00 0.00 0.00 0.00 61.98 64.01 1rxs s VAL 1219Cb -0.15 -4.26 -0.26 0.00 0.00 0.00 0.00 36.38 31.71 1rxs s VAL 1219CO 0.15 -0.28 0.32 2.30 0.00 0.00 0.00 175.10 177.58 1rxs n ILE 1220N 5.56 0.24 -3.81 2.22 -5.35 -0.15 -1.78 119.36 116.29 1rxs n ILE 1220Ca 0.08 -0.47 -0.12 0.00 -0.27 0.00 0.00 62.75 61.98 1rxs n ILE 1220Cb 0.47 -0.05 -0.08 0.00 -1.74 0.00 0.00 39.64 38.24 1rxs n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxs s VAL 1221N -3.06 0.08 -0.24 7.28 0.11 -1.23 -4.95 120.40 118.39 1rxs s VAL 1221Ca -0.07 -0.70 -0.03 0.00 -2.93 0.00 0.00 61.98 58.25 1rxs s VAL 1221Cb 0.10 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1rxs s VAL 1221CO 0.73 -0.38 -0.03 0.21 -3.33 0.00 0.00 175.10 172.29 1rxs s ASN 1222N -1.75 4.40 0.53 3.54 3.84 -1.26 -1.43 114.94 122.80 1rxs s ASN 1222Ca -0.09 -0.60 0.36 0.00 0.21 0.00 0.00 52.86 52.74 1rxs s ASN 1222Cb -0.03 -1.73 1.92 0.00 -0.55 0.00 0.00 41.25 40.86 1rxs s ASN 1222CO -0.01 -0.08 2.09 0.03 -2.79 0.00 0.00 177.10 176.34 1rxs h ARG 1223N 8.10 0.00 0.00 0.43 2.47 -1.14 -2.33 114.38 121.91 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 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1rxs h ARG 1223CO 0.60 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.38 1rxs n THR 1224N -2.75 0.00 0.00 2.04 -2.24 -1.26 -3.40 114.28 106.67 1rxs n THR 1224Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1rxs n THR 1224Cb 0.06 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 -0.74 2.62 -3.67 -0.78 10.64 -0.90 -5.10 117.38 119.47 1rxs n GLN 1225Ca 0.11 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.14 1rxs n GLN 1225Cb 0.05 -0.70 -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 -1.08 0.85 -0.13 2.61 -0.21 -1.10 -5.09 119.66 115.51 1rxs s GLN 1226Ca 0.00 -0.14 -0.09 0.00 0.02 0.00 0.00 55.36 55.16 1rxs s GLN 1226Cb 0.00 0.39 -0.03 0.00 1.00 0.00 0.00 33.01 34.37 1rxs s GLN 1226CO 0.00 -0.26 -0.17 0.39 -2.12 0.00 0.00 175.29 173.13 1rxs n GLU 1227N 0.93 0.41 -2.99 2.91 1.02 -1.26 -3.86 120.64 117.79 1rxs n GLU 1227Ca -0.20 0.48 -0.41 0.00 -0.02 0.00 0.00 57.16 57.02 1rxs n GLU 1227Cb 0.57 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.14 4.97 0.12 -3.67 -1.09 -1.26 -4.97 121.20 113.16 1rxs s ILE 1228Ca -0.14 1.48 -0.02 0.00 -2.23 0.00 0.00 60.65 59.74 1rxs s ILE 1228Cb 0.02 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1rxs s ILE 1228CO 0.21 0.12 0.07 -2.65 -1.23 0.00 0.00 174.94 171.45 1rxs n PRO 1229N 4.69 -1.45 0.00 2.79 -0.02 -1.26 -5.10 135.00 134.66 1rxs n PRO 1229Ca 0.01 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1rxs n PRO 1229Cb 0.50 -0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.81 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 -1.85 0.00 0.23 -0.52 0.00 -1.26 -5.07 117.12 108.65 1rxs n MET 1234Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 57.70 57.80 1rxs n MET 1234Cb 0.05 0.00 0.53 0.00 0.00 0.00 0.00 33.22 33.80 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 0.00 1.96 -2.27 0.00 0.00 179.45 179.37 1rxs h GLN 1236N 0.00 0.00 -0.03 1.90 4.20 -2.03 -2.95 115.11 116.20 1rxs h GLN 1236Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1rxs h GLN 1236Cb 0.60 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.39 1rxs h GLN 1236CO 0.03 0.00 -0.34 1.15 -0.67 0.00 0.00 178.83 179.00 1rxs h THR 1237N 0.00 1.47 0.00 -0.54 2.02 -1.85 -2.33 112.91 111.67 1rxs h THR 1237Ca 0.00 -1.86 -0.06 0.00 0.77 0.00 0.00 66.41 65.26 1rxs h THR 1237Cb 0.87 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 1rxs h THR 1237CO 0.00 0.53 -0.27 1.05 0.37 0.00 0.00 175.52 177.20 1rxs h GLU 1238N -0.27 0.00 -0.42 6.66 4.11 -1.64 -2.04 114.58 120.97 1rxs h GLU 1238Ca -0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 1rxs h GLU 1238Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1rxs h GLU 1238CO 0.07 0.27 0.03 0.77 0.07 0.00 0.00 179.01 180.22 1rxs h SER 1239N 0.00 0.62 0.31 3.06 0.02 -1.54 0.88 113.55 116.90 1rxs h SER 1239Ca -0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1rxs h SER 1239Cb 0.95 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1rxs h SER 1239CO 0.03 0.67 -0.15 0.45 -1.14 0.00 0.00 176.83 176.70 1rxs h HIS 1240N 0.63 -0.38 -0.59 3.45 3.86 -0.97 -2.28 115.15 118.87 1rxs h HIS 1240Ca 0.13 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1rxs h HIS 1240Cb 0.35 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 1rxs h HIS 1240CO 0.02 -0.06 0.36 0.00 0.86 0.00 0.00 177.93 179.10 1rxs h ALA 1241N -0.16 0.76 -0.21 2.45 0.00 -1.31 0.11 119.26 120.89 1rxs h ALA 1241Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rxs h ALA 1241Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rxs h ALA 1241CO 0.07 0.09 0.10 0.28 0.00 0.00 0.00 179.25 179.79 1rxs h VAL 1242N 0.71 1.15 -0.59 0.00 2.07 -0.90 -0.20 116.25 118.48 1rxs h VAL 1242Ca 0.24 -0.44 0.11 0.00 0.82 0.00 0.00 66.70 67.43 1rxs h VAL 1242Cb 0.02 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 1rxs h VAL 1242CO -0.10 0.15 0.12 0.50 0.02 0.00 0.00 177.57 178.26 1rxs h LYS 1243N 0.21 0.25 -0.59 1.57 3.64 -1.05 -1.37 116.57 119.22 1rxs h LYS 1243Ca 0.07 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1rxs h LYS 1243Cb 0.14 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1rxs h LYS 1243CO -0.01 0.16 0.26 0.82 -2.27 0.00 0.00 179.45 178.42 1rxs h ILE 1244N 0.26 1.22 -0.46 2.00 2.04 -0.21 -1.48 117.51 120.89 1rxs h ILE 1244Ca 0.31 -0.66 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 1rxs h ILE 1244Cb 0.45 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1rxs h ILE 1244CO -0.40 0.26 -0.19 1.62 0.00 0.00 0.00 178.15 179.45 1rxs h VAL 1245N 0.82 1.27 -0.53 1.67 3.04 -0.57 0.24 116.25 122.19 1rxs h VAL 1245Ca 0.20 -1.32 -0.07 0.00 -1.01 0.00 0.00 66.70 64.50 1rxs h VAL 1245Cb 0.16 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 1rxs h VAL 1245CO -0.02 0.45 0.07 0.58 -1.01 0.00 0.00 177.57 177.64 1rxs h VAL 1246N 0.79 1.26 -0.28 1.51 2.07 -1.14 -0.68 116.25 119.78 1rxs h VAL 1246Ca 0.11 -0.99 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 1rxs h VAL 1246Cb 0.73 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1rxs h VAL 1246CO 0.06 0.35 -0.28 -0.08 0.02 0.00 0.00 177.57 177.64 1rxs h GLU 1247N 0.77 0.56 -0.39 1.57 4.57 -0.94 -1.90 114.58 118.82 1rxs h GLU 1247Ca 0.16 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 1rxs h GLU 1247Cb 0.43 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1rxs h GLU 1247CO 0.01 0.79 0.05 0.00 -1.18 0.00 0.00 179.01 178.68 1rxs h ALA 1248N 1.21 0.52 -0.63 2.92 0.00 -0.70 -2.62 119.26 119.96 1rxs h ALA 1248Ca 0.06 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1rxs h ALA 1248Cb 0.74 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1rxs h ALA 1248CO 0.06 0.25 0.14 0.00 0.00 0.00 0.00 179.25 179.70 1rxs h ALA 1249N 0.91 0.77 -0.68 0.00 0.00 -0.77 -0.79 119.26 118.69 1rxs h ALA 1249Ca 0.12 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.30 1rxs h ALA 1249Cb 0.39 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1rxs h ALA 1249CO 0.01 -0.31 0.17 -0.09 0.00 0.00 0.00 179.25 179.03 1rxs h ARG 1250N 0.27 0.27 0.00 0.00 2.43 -0.99 -0.23 114.38 116.13 1rxs h ARG 1250Ca 0.34 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1rxs h ARG 1250Cb 0.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1rxs h ARG 1250CO -0.43 0.18 0.00 0.54 -1.51 0.00 0.00 179.97 178.75 1rxs n ARG 1251N -5.13 0.22 -0.08 0.20 1.74 -0.35 -3.34 116.66 109.91 1rxs n ARG 1251Ca 0.12 0.31 0.11 0.00 -0.77 0.00 0.00 57.85 57.62 1rxs n ARG 1251Cb 0.40 -1.82 0.14 0.00 -1.02 0.00 0.00 32.46 30.16 1rxs n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxs n LEU 1252N -2.22 3.07 0.00 0.55 4.77 -0.13 -5.05 117.00 118.00 1rxs n LEU 1252Ca 0.04 -1.24 0.14 0.00 -0.03 0.00 0.00 56.01 54.92 1rxs n LEU 1252Cb 0.33 -0.11 0.81 0.00 -2.33 0.00 0.00 43.42 42.12 1rxs n LEU 1252CO 0.25 0.59 0.98 0.18 -1.33 0.00 0.00 177.39 178.06