#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 -3.75 -3.46 3.32 -1.17 -3.47 116.42 107.88 1rxs h ASP 1005Ca 0.00 -0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.45 1rxs h ASP 1005Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1rxs h ASP 1005CO 0.00 0.01 -0.82 0.68 -1.72 0.00 0.00 179.24 177.39 1rxs s VAL 1006N -3.32 1.96 0.18 -1.35 -7.23 -1.22 -5.06 120.40 104.35 1rxs s VAL 1006Ca 0.01 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.35 1rxs s VAL 1006Cb 0.09 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.13 1rxs s VAL 1006CO 0.76 -0.13 1.47 0.15 -0.31 0.00 0.00 175.10 177.05 1rxs h PHE 1007N 3.62 0.75 0.00 2.82 3.57 -1.94 -3.35 116.94 122.41 1rxs h PHE 1007Ca -0.46 -0.28 -0.38 0.00 3.53 0.00 0.00 57.97 60.39 1rxs h PHE 1007Cb 1.19 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 1rxs h PHE 1007CO 0.65 1.03 -2.34 0.72 -2.23 0.00 0.00 178.31 176.14 1rxs n HIS 1008N -3.95 0.00 0.29 0.41 8.25 -1.26 -4.63 115.22 114.34 1rxs n HIS 1008Ca -0.04 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.59 1rxs n HIS 1008Cb 0.63 -0.89 0.64 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.37 0.00 -1.92 2.41 3.38 -1.93 -3.44 115.31 113.44 1rxs h LEU 1009Ca -0.56 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.05 1rxs h LEU 1009Cb 1.69 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.57 1rxs h LEU 1009CO -0.21 0.00 -0.82 0.61 0.09 0.00 0.00 178.44 178.12 1rxs n GLY 1010N 0.09 -0.50 3.29 0.83 0.00 -1.26 -4.65 105.19 102.99 1rxs n GLY 1010Ca 0.01 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.33 2.50 0.19 0.99 1.43 -1.26 -4.78 118.68 111.43 1rxs s LEU 1011Ca 0.10 -1.04 0.11 0.00 -1.03 0.00 0.00 54.13 52.27 1rxs s LEU 1011Cb -0.02 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 1rxs s LEU 1011CO 0.77 -0.31 -0.24 0.42 0.23 0.00 0.00 176.35 177.22 1rxs s THR 1012N -3.25 2.34 0.31 5.49 -4.23 -1.26 -0.51 115.64 114.53 1rxs s THR 1012Ca 0.20 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.74 1rxs s THR 1012Cb 0.02 -2.12 0.30 0.00 1.34 0.00 0.00 72.50 72.04 1rxs s THR 1012CO 0.03 -0.13 1.74 0.50 -0.54 0.00 0.00 174.62 176.23 1rxs h LYS 1013N 3.18 0.62 -0.77 3.99 3.64 -1.96 -0.58 116.57 124.69 1rxs h LYS 1013Ca -0.46 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 58.97 1rxs h LYS 1013Cb 1.21 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.82 1rxs h LYS 1013CO 0.48 0.41 0.42 -0.97 -2.27 0.00 0.00 179.45 177.52 1rxs h ASN 1014N 0.64 0.58 -0.42 4.20 -0.73 -1.95 -2.61 115.58 115.28 1rxs h ASN 1014Ca 0.60 0.05 0.12 0.00 1.87 0.00 0.00 56.30 58.95 1rxs h ASN 1014Cb 1.06 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.58 1rxs h ASN 1014CO -0.44 0.33 0.35 0.44 -0.37 0.00 0.00 177.43 177.74 1rxs h ASP 1015N 0.71 0.00 1.73 1.15 3.32 -1.50 -1.73 116.42 120.10 1rxs h ASP 1015Ca 0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1rxs h ASP 1015Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1rxs h ASP 1015CO -0.25 0.00 -0.27 -0.07 -1.72 0.00 0.00 179.24 176.93 1rxs h LEU 1016N 0.00 0.00 -0.81 1.55 4.07 -1.54 -3.48 115.31 115.10 1rxs h LEU 1016Ca 0.20 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.67 1rxs h LEU 1016Cb 0.90 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.54 1rxs h LEU 1016CO -0.00 0.06 -0.76 0.00 -1.08 0.00 0.00 178.44 176.66 1rxs n GLN 1017N -3.02 -4.50 -0.81 1.13 6.02 -0.65 -1.50 117.38 114.05 1rxs n GLN 1017Ca 0.03 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1rxs n GLN 1017Cb 0.56 -5.34 0.00 0.00 1.02 0.00 0.00 30.24 26.48 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 -1.53 0.64 3.69 1.08 0.00 -1.26 -4.80 105.19 103.00 1rxs n GLY 1018Ca 0.05 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 0.43 1.14 -0.38 4.61 0.00 -0.56 -4.93 120.51 120.82 1rxs n ALA 1019Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 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 -0.06 0.00 -5.10 0.00 -2.24 -1.26 -4.32 114.28 101.30 1rxs n THR 1020Ca 0.06 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 1rxs n THR 1020Cb 0.38 1.38 -0.16 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.15 2.05 -0.03 3.22 0.20 -1.26 0.16 118.68 122.86 1rxs s LEU 1021Ca 0.00 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.44 1rxs s LEU 1021Cb 0.00 -1.15 0.00 0.00 -0.43 0.00 0.00 46.19 44.62 1rxs s LEU 1021CO 0.00 0.27 -0.09 0.00 -0.29 0.00 0.00 176.35 176.24 1rxs s ALA 1022N -0.53 0.91 -0.20 5.97 0.00 0.18 -1.98 121.76 126.12 1rxs s ALA 1022Ca 0.09 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 1rxs s ALA 1022Cb -0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1rxs s ALA 1022CO -0.01 0.14 0.49 0.42 0.00 0.00 0.00 175.76 176.80 1rxs s ILE 1023N 0.24 5.13 -0.53 0.00 1.01 0.23 -0.81 121.20 126.48 1rxs s ILE 1023Ca -0.04 0.90 0.04 0.00 0.00 0.00 0.00 60.65 61.55 1rxs s ILE 1023Cb -0.09 -3.81 0.13 0.00 0.01 0.00 0.00 42.46 38.69 1rxs s ILE 1023CO 0.01 0.20 0.27 0.68 0.00 0.00 0.00 174.94 176.10 1rxs s VAL 1024N 1.50 2.58 0.84 2.92 -7.23 0.68 -1.42 120.40 120.27 1rxs s VAL 1024Ca 0.23 -3.36 -0.12 0.00 -1.81 0.00 0.00 61.98 56.92 1rxs s VAL 1024Cb -0.15 -2.79 0.10 0.00 0.56 0.00 0.00 36.38 34.10 1rxs s VAL 1024CO 0.09 -0.81 1.14 -2.16 -0.31 0.00 0.00 175.10 173.05 1rxs s PRO 1025N -0.35 1.74 -0.01 4.82 0.04 -1.22 -3.40 135.00 136.61 1rxs s PRO 1025Ca 0.17 0.30 -0.09 0.00 0.04 0.00 0.00 61.00 61.42 1rxs s PRO 1025Cb -0.25 -1.91 -0.31 0.00 0.04 0.00 0.00 34.50 32.08 1rxs s PRO 1025CO -0.01 -1.79 0.80 0.78 0.04 0.00 0.00 177.00 176.82 1rxs h GLY 1026N -1.20 0.43 -7.28 0.56 0.00 -1.84 -1.08 103.07 92.66 1rxs h GLY 1026Ca -0.48 -1.10 -0.64 0.00 0.00 0.00 0.00 47.33 45.11 1rxs h GLY 1026CO 0.63 0.97 -0.21 -0.35 0.00 0.00 0.00 176.54 177.57 1rxs s ASP 1027N -7.25 6.26 0.42 0.19 3.68 -1.26 -0.98 116.67 117.72 1rxs s ASP 1027Ca -0.12 0.17 0.20 0.00 2.13 0.00 0.00 52.55 54.93 1rxs s ASP 1027Cb 0.06 -2.22 1.14 0.00 -1.45 0.00 0.00 42.92 40.45 1rxs s ASP 1027CO 0.87 -0.25 1.80 1.55 0.13 0.00 0.00 175.17 179.27 1rxs h PRO 1028N 8.25 0.35 0.00 4.34 0.13 -1.90 0.13 132.00 143.31 1rxs h PRO 1028Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1rxs h PRO 1028Cb 1.15 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rxs h PRO 1028CO 0.67 0.23 0.00 -0.44 -0.23 0.00 0.00 178.00 178.23 1rxs h ASP 1029N 0.36 0.00 0.56 1.44 3.32 -1.95 -2.63 116.42 117.51 1rxs h ASP 1029Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1rxs h ASP 1029Cb 1.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1rxs h ASP 1029CO -0.23 0.00 -0.59 -1.14 -1.72 0.00 0.00 179.24 175.56 1rxs n ARG 1030N -2.63 0.09 0.03 3.56 0.63 0.03 -4.39 116.66 113.99 1rxs n ARG 1030Ca 0.02 0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.84 1rxs n ARG 1030Cb 0.29 -1.55 -0.08 0.00 0.45 0.00 0.00 32.46 31.57 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 1.10 -0.82 5.15 2.07 -1.45 -2.55 116.25 119.75 1rxs h VAL 1031Ca 0.00 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1rxs h VAL 1031Cb 0.58 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1rxs h VAL 1031CO 0.00 0.11 0.46 -0.08 0.02 0.00 0.00 177.57 178.08 1rxs h GLU 1032N -0.22 1.14 -0.62 1.57 4.81 -1.77 -1.04 114.58 118.45 1rxs h GLU 1032Ca -0.00 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1rxs h GLU 1032Cb 0.21 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 1rxs h GLU 1032CO 0.01 0.84 0.30 0.87 -0.73 0.00 0.00 179.01 180.29 1rxs h LYS 1033N 1.14 0.53 -0.01 1.92 1.57 -1.75 -1.01 116.57 118.96 1rxs h LYS 1033Ca 0.29 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1rxs h LYS 1033Cb 0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1rxs h LYS 1033CO -0.05 0.35 -0.00 0.82 -0.57 0.00 0.00 179.45 180.00 1rxs h ILE 1034N 0.55 1.30 -0.91 1.86 2.04 -1.03 -3.13 117.51 118.19 1rxs h ILE 1034Ca 0.29 -0.89 0.12 0.00 1.00 0.00 0.00 64.86 65.39 1rxs h ILE 1034Cb 0.26 1.87 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 1rxs h ILE 1034CO -0.23 0.23 0.59 0.00 0.00 0.00 0.00 178.15 178.74 1rxs h ALA 1035N 0.63 1.69 0.00 1.87 0.00 -1.00 -1.49 119.26 120.95 1rxs h ALA 1035Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rxs h ALA 1035Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rxs h ALA 1035CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1rxs h ALA 1036N 1.57 1.00 -0.00 0.00 0.00 -1.12 -0.30 119.26 120.41 1rxs h ALA 1036Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1rxs h ALA 1036Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rxs h ALA 1036CO -0.21 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.28 1rxs n LEU 1037N -2.46 0.18 0.00 0.00 4.32 -0.56 -4.87 117.00 113.61 1rxs n LEU 1037Ca -0.00 0.15 -0.24 0.00 -0.02 0.00 0.00 56.01 55.90 1rxs n LEU 1037Cb 0.14 -0.22 -0.03 0.00 -1.62 0.00 0.00 43.42 41.69 1rxs n LEU 1037CO 0.17 0.03 -0.08 0.23 -1.22 0.00 0.00 177.39 176.52 1rxs n MET 1038N -1.13 0.94 -3.30 3.23 2.81 -0.12 -5.14 117.12 114.41 1rxs n MET 1038Ca 0.15 -2.86 -0.31 0.00 -1.81 0.00 0.00 57.70 52.87 1rxs n MET 1038Cb 0.24 0.57 -0.05 0.00 -0.71 0.00 0.00 33.22 33.27 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 -3.38 6.58 -1.32 7.83 -0.00 -0.12 -4.51 116.67 121.75 1rxs s ASP 1039Ca 0.11 0.92 -0.11 0.00 -0.00 0.00 0.00 52.55 53.48 1rxs s ASP 1039Cb -0.01 -2.23 0.00 0.00 -0.00 0.00 0.00 42.92 40.69 1rxs s ASP 1039CO 0.07 -0.16 0.51 0.29 -0.00 0.00 0.00 175.17 175.89 1rxs n LYS 1040N -0.50 -2.02 -2.19 8.23 5.02 -1.26 0.21 118.16 125.64 1rxs n LYS 1040Ca 0.00 0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 1rxs n LYS 1040Cb 0.53 -4.02 -0.03 0.00 -0.02 0.00 0.00 35.03 31.49 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 -6.62 4.34 -0.04 1.97 0.04 -1.26 -4.41 135.00 129.03 1rxs s PRO 1041Ca 0.20 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1rxs s PRO 1041Cb -0.09 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.24 1rxs s PRO 1041CO 0.91 -0.39 -0.00 0.08 0.04 0.00 0.00 177.00 177.63 1rxs s VAL 1042N 0.91 0.22 0.11 -0.36 1.01 0.17 -5.00 120.40 117.47 1rxs s VAL 1042Ca 0.63 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 1rxs s VAL 1042Cb -0.36 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 1rxs s VAL 1042CO 0.32 0.17 1.46 -0.75 0.00 0.00 0.00 175.10 176.30 1rxs s LYS 1043N 1.17 4.28 -0.26 2.72 2.20 -1.26 -0.98 119.74 127.61 1rxs s LYS 1043Ca -0.08 2.16 -0.16 0.00 -0.36 0.00 0.00 55.97 57.54 1rxs s LYS 1043Cb -0.13 -3.30 -0.13 0.00 -1.51 0.00 0.00 37.83 32.76 1rxs s LYS 1043CO -0.02 -0.52 -0.25 1.28 -0.36 0.00 0.00 175.35 175.48 1rxs n LEU 1044N 4.29 1.94 -3.52 5.43 4.77 0.63 -4.91 117.00 125.62 1rxs n LEU 1044Ca 0.13 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.37 1rxs n LEU 1044Cb 0.41 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1rxs n LEU 1044CO 0.60 0.49 0.58 0.00 -1.33 0.00 0.00 177.39 177.72 1rxs s ALA 1045N -2.49 -1.69 -0.26 -1.18 0.00 -1.03 -5.00 121.76 110.10 1rxs s ALA 1045Ca -0.37 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1rxs s ALA 1045Cb 0.13 0.63 0.14 0.00 0.00 0.00 0.00 23.12 24.02 1rxs s ALA 1045CO 0.51 -0.77 0.39 0.45 0.00 0.00 0.00 175.76 176.34 1rxs s SER 1046N -2.65 0.22 -0.02 0.00 0.15 -1.26 -0.58 113.70 109.56 1rxs s SER 1046Ca 0.05 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.79 1rxs s SER 1046Cb -0.01 1.16 0.02 0.00 -1.71 0.00 0.00 66.02 65.47 1rxs s SER 1046CO -0.08 -0.31 0.04 -1.00 1.20 0.00 0.00 173.24 173.09 1rxs s HIS 1047N 2.56 -0.01 0.00 3.44 3.76 -0.24 -4.99 115.29 119.80 1rxs s HIS 1047Ca 0.12 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 1rxs s HIS 1047Cb -0.15 -0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.40 1rxs s HIS 1047CO -0.20 -0.07 0.00 0.54 -0.85 0.00 0.00 174.74 174.16 1rxs n ARG 1048N 3.81 0.00 -0.05 1.40 1.74 -1.26 -0.34 116.66 121.96 1rxs n ARG 1048Ca -0.22 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1rxs n ARG 1048Cb 0.54 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 32.39 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 1.45 -3.30 5.56 0.00 -1.26 -4.75 120.64 132.33 1rxs n GLU 1049Ca 0.00 -0.68 -0.46 0.00 0.00 0.00 0.00 57.16 56.03 1rxs n GLU 1049Cb 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 31.44 30.05 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 -1.86 3.22 -0.16 -1.84 0.40 0.54 -4.03 117.98 114.26 1rxs s PHE 1050Ca 0.29 -1.19 -0.04 0.00 -0.60 0.00 0.00 56.93 55.39 1rxs s PHE 1050Cb 0.15 -3.71 -0.03 0.00 0.51 0.00 0.00 43.02 39.94 1rxs s PHE 1050CO 0.23 -1.01 -0.02 0.99 0.70 0.00 0.00 175.22 176.12 1rxs s THR 1051N 1.72 4.07 -0.12 0.64 2.01 -1.26 -1.08 115.64 121.62 1rxs s THR 1051Ca 0.04 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1rxs s THR 1051Cb -0.28 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1rxs s THR 1051CO 0.04 0.49 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.40 1rxs s THR 1052N 0.37 1.63 0.15 -0.82 2.01 0.25 -1.79 115.64 117.44 1rxs s THR 1052Ca -0.03 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.35 1rxs s THR 1052Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1rxs s THR 1052CO 0.02 0.47 -0.17 0.26 -0.69 0.00 0.00 174.62 174.51 1rxs s TRP 1053N 1.02 2.51 0.02 4.92 0.52 0.47 -0.27 118.94 128.14 1rxs s TRP 1053Ca -0.05 -0.27 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1rxs s TRP 1053Cb -0.15 -1.29 -0.03 0.00 -1.15 0.00 0.00 33.47 30.85 1rxs s TRP 1053CO -0.03 0.44 -0.08 0.50 0.02 0.00 0.00 176.95 177.79 1rxs s ARG 1054N -2.41 2.43 0.00 4.98 3.52 -0.15 -0.57 118.95 126.76 1rxs s ARG 1054Ca 0.20 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1rxs s ARG 1054Cb -0.10 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 1rxs s ARG 1054CO 0.11 0.58 0.00 0.00 -0.81 0.00 0.00 175.30 175.18 1rxs n ALA 1055N 1.41 0.00 -2.89 6.12 0.00 0.14 -0.65 120.51 124.64 1rxs n ALA 1055Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 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 -0.83 0.34 -0.07 0.00 2.12 0.13 -0.99 118.70 119.40 1rxs s GLU 1056Ca 0.00 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.20 1rxs s GLU 1056Cb 0.00 -0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.07 1rxs s GLU 1056CO 0.00 0.06 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.61 1rxs s LEU 1057N 0.03 0.70 -1.38 2.70 2.96 0.59 -0.95 118.68 123.34 1rxs s LEU 1057Ca 0.00 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 1rxs s LEU 1057Cb -0.03 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.24 1rxs s LEU 1057CO -0.00 -0.17 0.23 0.47 -1.32 0.00 0.00 176.35 175.56 1rxs n ASP 1058N 4.98 -0.82 -0.05 3.68 8.00 -1.26 -0.67 116.55 130.41 1rxs n ASP 1058Ca -0.10 -1.24 -0.01 0.00 0.71 0.00 0.00 54.79 54.15 1rxs n ASP 1058Cb 0.50 -1.53 -0.00 0.00 -0.02 0.00 0.00 41.12 40.07 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 -2.37 0.21 3.52 0.44 0.00 -1.26 -4.99 105.19 100.74 1rxs n GLY 1059Ca -0.24 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1rxs n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxs s LYS 1060N -1.49 2.87 0.29 1.61 1.02 0.16 -5.09 119.74 119.12 1rxs s LYS 1060Ca 0.00 -0.60 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 1rxs s LYS 1060Cb 0.00 -2.58 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 1rxs s LYS 1060CO 0.00 0.55 1.23 -1.25 -0.92 0.00 0.00 175.35 174.95 1rxs s PRO 1061N -0.51 4.47 0.01 -1.68 0.04 -1.26 -0.30 135.00 135.77 1rxs s PRO 1061Ca 0.07 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.16 1rxs s PRO 1061Cb -0.12 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1rxs s PRO 1061CO 0.02 -0.04 -0.03 0.08 0.04 0.00 0.00 177.00 177.06 1rxs s VAL 1062N -0.97 0.24 -0.10 -0.36 1.01 -0.16 -4.39 120.40 115.66 1rxs s VAL 1062Ca 0.48 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1rxs s VAL 1062Cb -0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1rxs s VAL 1062CO 0.46 -0.05 0.13 -0.63 0.00 0.00 0.00 175.10 175.01 1rxs s ILE 1063N -0.37 5.36 -0.15 2.22 -1.09 -0.84 -0.68 121.20 125.65 1rxs s ILE 1063Ca -0.02 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 1rxs s ILE 1063Cb -0.03 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1rxs s ILE 1063CO -0.00 0.59 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.41 1rxs s VAL 1064N -1.04 1.96 -0.06 2.92 1.01 0.27 -0.60 120.40 124.85 1rxs s VAL 1064Ca 0.16 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1rxs s VAL 1064Cb -0.12 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.54 1rxs s VAL 1064CO 0.05 0.53 0.12 0.00 0.00 0.00 0.00 175.10 175.80 1rxs s SER 1066N 1.19 7.16 0.02 0.00 1.04 -0.74 -3.41 113.70 118.97 1rxs s SER 1066Ca -0.09 1.62 0.22 0.00 0.48 0.00 0.00 55.95 58.19 1rxs s SER 1066Cb -0.12 -2.50 -0.25 0.00 0.10 0.00 0.00 66.02 63.25 1rxs s SER 1066CO -0.05 -0.05 0.63 0.35 0.98 0.00 0.00 173.24 175.09 1rxs n THR 1067N 0.49 0.13 -3.15 2.02 -2.24 -0.41 -4.38 114.28 106.75 1rxs n THR 1067Ca 0.01 -0.48 0.02 0.00 -2.27 0.00 0.00 64.05 61.32 1rxs n THR 1067Cb 0.51 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.26 -1.89 3.71 3.38 0.00 -0.15 -3.20 105.19 108.29 1rxs n GLY 1068Ca -0.03 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.39 5.09 0.00 -0.61 1.01 -1.26 -4.70 121.20 120.34 1rxs s ILE 1069Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1rxs s ILE 1069Cb 0.00 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1rxs s ILE 1069CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1rxs n GLY 1070N 3.32 2.18 0.17 6.18 0.00 -1.26 -4.62 105.19 111.16 1rxs n GLY 1070Ca -0.03 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.00 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 0.04 0.28 -0.02 0.00 -1.87 -2.09 103.07 99.41 1rxs h GLY 1071Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1rxs h GLY 1071CO 0.00 -0.13 -0.23 -2.55 0.00 0.00 0.00 176.54 173.63 1rxs h PRO 1072N -0.11 -0.26 -0.14 4.80 0.11 -1.94 0.47 132.00 134.93 1rxs h PRO 1072Ca 0.11 0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.08 1rxs h PRO 1072Cb 0.27 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1rxs h PRO 1072CO -0.25 -0.18 -0.58 0.66 -0.21 0.00 0.00 178.00 177.44 1rxs h SER 1073N -0.27 0.50 -0.60 -2.05 4.64 -1.80 -2.57 113.55 111.40 1rxs h SER 1073Ca 0.11 -0.28 0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1rxs h SER 1073Cb 0.44 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.32 1rxs h SER 1073CO -0.32 0.97 0.24 0.74 -0.87 0.00 0.00 176.83 177.60 1rxs h THR 1074N 0.34 0.81 0.00 2.95 2.02 -0.69 -1.75 112.91 116.59 1rxs h THR 1074Ca -0.00 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 1rxs h THR 1074Cb 1.11 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1rxs h THR 1074CO 0.10 0.08 -0.31 0.77 0.37 0.00 0.00 175.52 176.54 1rxs h SER 1075N 0.44 0.00 0.22 4.18 4.64 0.27 -1.14 113.55 122.17 1rxs h SER 1075Ca 0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1rxs h SER 1075Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1rxs h SER 1075CO -0.27 0.31 -0.11 0.40 -0.87 0.00 0.00 176.83 176.29 1rxs h ILE 1076N 0.00 0.85 -0.29 0.95 2.04 -1.01 -2.59 117.51 117.46 1rxs h ILE 1076Ca -0.00 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1rxs h ILE 1076Cb 0.55 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 1rxs h ILE 1076CO 0.04 0.15 -0.04 0.00 0.00 0.00 0.00 178.15 178.30 1rxs h ALA 1077N -0.01 0.23 0.06 1.87 0.00 -1.04 -1.69 119.26 118.66 1rxs h ALA 1077Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rxs h ALA 1077Cb 0.47 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1rxs h ALA 1077CO 0.05 -0.44 -0.03 0.28 0.00 0.00 0.00 179.25 179.11 1rxs h VAL 1078N 0.04 1.04 -0.33 0.00 2.07 -1.31 -0.23 116.25 117.53 1rxs h VAL 1078Ca 0.14 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1rxs h VAL 1078Cb 0.20 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1rxs h VAL 1078CO -0.27 0.08 -0.05 -0.08 0.02 0.00 0.00 177.57 177.27 1rxs h GLU 1079N -0.21 0.03 -0.19 1.57 4.57 -1.35 0.12 114.58 119.12 1rxs h GLU 1079Ca -0.01 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 1rxs h GLU 1079Cb 0.18 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1rxs h GLU 1079CO 0.01 0.02 -0.58 0.93 -1.18 0.00 0.00 179.01 178.22 1rxs h GLU 1080N 0.03 0.59 -0.80 1.92 5.08 -1.22 -0.84 114.58 119.34 1rxs h GLU 1080Ca 0.16 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1rxs h GLU 1080Cb 0.23 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1rxs h GLU 1080CO -0.31 1.00 0.35 -0.07 -1.00 0.00 0.00 179.01 178.97 1rxs h LEU 1081N 0.44 1.07 -0.75 1.33 3.38 -0.83 -2.15 115.31 117.79 1rxs h LEU 1081Ca 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1rxs h LEU 1081Cb 1.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1rxs h LEU 1081CO 0.11 0.92 0.32 0.00 0.09 0.00 0.00 178.44 179.88 1rxs h ALA 1082N 1.23 0.98 -0.81 1.53 0.00 -0.32 -1.08 119.26 120.80 1rxs h ALA 1082Ca 0.27 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1rxs h ALA 1082Cb 0.17 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1rxs h ALA 1082CO -0.03 0.58 0.53 1.96 0.00 0.00 0.00 179.25 182.29 1rxs h GLN 1083N 1.08 0.83 -0.01 0.00 4.20 -0.86 -1.95 115.11 118.40 1rxs h GLN 1083Ca 0.25 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1rxs h GLN 1083Cb 0.19 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1rxs h GLN 1083CO -0.02 0.55 -0.07 1.28 -0.67 0.00 0.00 178.83 179.89 1rxs n LEU 1084N -4.49 0.87 0.00 1.46 4.77 -0.68 -4.90 117.00 114.02 1rxs n LEU 1084Ca 0.12 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1rxs n LEU 1084Cb 0.24 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1rxs n LEU 1084CO 0.33 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1rxs n GLY 1085N 1.19 0.96 3.74 -0.72 0.00 -0.73 -4.82 105.19 104.81 1rxs n GLY 1085Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 3.07 0.00 -0.61 -1.09 -0.49 -4.49 121.20 115.59 1rxs s ILE 1086Ca 0.00 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1rxs s ILE 1086Cb 0.00 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1rxs s ILE 1086CO 0.00 0.12 0.06 0.54 -1.23 0.00 0.00 174.94 174.43 1rxs n ARG 1087N 2.75 4.79 -4.35 2.79 5.12 0.12 -4.24 116.66 123.65 1rxs n ARG 1087Ca 0.07 -0.06 -0.23 0.00 -1.93 0.00 0.00 57.85 55.71 1rxs n ARG 1087Cb 0.42 -0.48 -0.16 0.00 -1.16 0.00 0.00 32.46 31.08 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 -0.70 0.85 -0.15 0.55 2.01 -0.75 -1.26 115.64 116.19 1rxs s THR 1088Ca 0.00 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1rxs s THR 1088Cb 0.00 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.72 1rxs s THR 1088CO 0.00 0.29 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.74 1rxs s PHE 1089N 0.84 2.11 -0.27 4.92 0.08 0.73 -0.65 117.98 125.74 1rxs s PHE 1089Ca -0.12 -1.20 -0.04 0.00 0.12 0.00 0.00 56.93 55.69 1rxs s PHE 1089Cb -0.15 -1.55 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1rxs s PHE 1089CO 0.01 -0.66 0.01 -0.51 -0.10 0.00 0.00 175.22 173.98 1rxs s LEU 1090N 1.51 3.47 -0.06 -0.37 1.43 0.01 -0.93 118.68 123.74 1rxs s LEU 1090Ca 0.04 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 1rxs s LEU 1090Cb -0.13 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1rxs s LEU 1090CO -0.10 -0.14 0.57 -0.60 0.23 0.00 0.00 176.35 176.30 1rxs s ARG 1091N 1.43 4.33 -0.15 1.70 3.52 0.27 -0.23 118.95 129.83 1rxs s ARG 1091Ca 0.02 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.29 1rxs s ARG 1091Cb -0.17 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 1rxs s ARG 1091CO -0.01 0.25 -0.21 -1.50 -0.81 0.00 0.00 175.30 173.02 1rxs s ILE 1092N 0.24 2.03 0.31 4.11 1.10 -1.22 -1.05 121.20 126.72 1rxs s ILE 1092Ca 0.30 -0.96 0.04 0.00 -0.51 0.00 0.00 60.65 59.53 1rxs s ILE 1092Cb -0.17 -1.81 -0.03 0.00 0.15 0.00 0.00 42.46 40.61 1rxs s ILE 1092CO 0.15 0.54 0.28 -0.83 -2.11 0.00 0.00 174.94 172.97 1rxs s GLY 1093N 0.91 2.05 0.15 1.50 0.00 -0.44 -4.04 107.32 107.46 1rxs s GLY 1093Ca -0.05 -1.93 0.07 0.00 0.00 0.00 0.00 44.72 42.81 1rxs s GLY 1093CO -0.04 -1.39 0.01 -0.51 0.00 0.00 0.00 173.10 171.16 1rxs s THR 1094N -3.54 3.83 0.17 0.90 -4.23 -1.26 -1.56 115.64 109.94 1rxs s THR 1094Ca 0.39 -1.29 -0.16 0.00 -1.18 0.00 0.00 61.69 59.44 1rxs s THR 1094Cb 0.03 -2.90 0.03 0.00 1.34 0.00 0.00 72.50 71.00 1rxs s THR 1094CO 0.24 -0.05 0.47 0.28 -0.54 0.00 0.00 174.62 175.02 1rxs s THR 1095N -1.61 0.04 -0.19 3.99 -1.32 -0.63 -4.88 115.64 111.05 1rxs s THR 1095Ca 0.27 -0.75 -0.02 0.00 -1.21 0.00 0.00 61.69 59.98 1rxs s THR 1095Cb -0.10 -1.46 -0.00 0.00 -1.51 0.00 0.00 72.50 69.42 1rxs s THR 1095CO 0.19 -0.19 -0.10 -0.83 -2.21 0.00 0.00 174.62 171.48 1rxs s GLY 1096N -2.86 1.54 0.51 6.08 0.00 -1.22 -1.39 107.32 109.98 1rxs s GLY 1096Ca 0.08 -1.11 -0.18 0.00 0.00 0.00 0.00 44.72 43.51 1rxs s GLY 1096CO -0.06 0.24 1.00 0.00 0.00 0.00 0.00 173.10 174.28 1rxs s ALA 1097N 1.15 2.96 0.00 3.20 0.00 -0.39 -2.02 121.76 126.65 1rxs s ALA 1097Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1rxs s ALA 1097Cb -0.14 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1rxs s ALA 1097CO -0.03 -0.29 0.74 0.44 0.00 0.00 0.00 175.76 176.62 1rxs n ILE 1098N -1.34 0.50 -3.95 0.00 -5.35 0.31 -1.00 119.36 108.51 1rxs n ILE 1098Ca 0.08 -0.73 -0.36 0.00 -0.27 0.00 0.00 62.75 61.47 1rxs n ILE 1098Cb 0.53 0.77 -0.08 0.00 -1.74 0.00 0.00 39.64 39.13 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 -0.50 3.61 0.54 6.28 -1.52 -1.23 -4.78 119.66 122.06 1rxs s GLN 1099Ca 0.00 -0.23 0.31 0.00 -1.95 0.00 0.00 55.36 53.49 1rxs s GLN 1099Cb 0.00 -3.17 1.56 0.00 -0.22 0.00 0.00 33.01 31.18 1rxs s GLN 1099CO 0.00 0.59 2.09 -1.00 -0.25 0.00 0.00 175.29 176.72 1rxs h PRO 1100N 5.64 0.00 0.00 2.91 0.13 -1.96 -2.75 132.00 135.97 1rxs h PRO 1100Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1rxs h PRO 1100Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rxs h PRO 1100CO 0.63 0.09 -0.13 -2.39 -0.23 0.00 0.00 178.00 175.97 1rxs n HIS 1101N -3.47 0.87 -3.08 1.56 1.44 -1.26 -4.77 115.22 106.51 1rxs n HIS 1101Ca -0.02 0.25 -0.40 0.00 -2.01 0.00 0.00 57.72 55.55 1rxs n HIS 1101Cb 0.23 -0.89 -0.06 0.00 0.12 0.00 0.00 29.99 29.39 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 5.00 0.16 0.61 1.01 -1.04 -5.06 121.20 118.77 1rxs s ILE 1102Ca 0.10 1.26 0.04 0.00 0.00 0.00 0.00 60.65 62.05 1rxs s ILE 1102Cb 0.12 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1rxs s ILE 1102CO 0.62 0.10 0.20 0.20 0.00 0.00 0.00 174.94 176.07 1rxs s ASN 1103N 1.17 5.88 0.04 3.58 0.02 -1.26 -4.90 114.94 119.48 1rxs s ASN 1103Ca 0.30 -0.00 -0.34 0.00 -1.02 0.00 0.00 52.86 51.81 1rxs s ASN 1103Cb -0.16 -1.65 -0.12 0.00 0.02 0.00 0.00 41.25 39.34 1rxs s ASN 1103CO 0.11 0.06 1.76 0.52 0.02 0.00 0.00 177.10 179.56 1rxs n VAL 1104N -0.47 0.33 0.00 1.60 0.31 -1.26 -1.02 118.33 117.81 1rxs n VAL 1104Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1rxs n VAL 1104Cb 0.54 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 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 3.99 2.57 3.81 2.92 0.00 -0.67 -5.01 105.19 112.80 1rxs n GLY 1105Ca 0.20 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 -1.36 5.22 -0.09 1.61 -0.00 -0.19 -4.79 116.67 117.07 1rxs s ASP 1106Ca 0.00 1.65 0.03 0.00 -0.00 0.00 0.00 52.55 54.22 1rxs s ASP 1106Cb 0.00 -2.49 -0.02 0.00 -0.00 0.00 0.00 42.92 40.41 1rxs s ASP 1106CO 0.00 -1.55 -0.17 -0.69 -0.00 0.00 0.00 175.17 172.76 1rxs s VAL 1107N -3.02 2.79 -0.17 -1.27 1.01 -0.60 -1.80 120.40 117.34 1rxs s VAL 1107Ca 0.59 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1rxs s VAL 1107Cb -0.15 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1rxs s VAL 1107CO 0.55 0.56 -0.11 -0.76 0.00 0.00 0.00 175.10 175.34 1rxs s LEU 1108N -0.10 2.70 -0.22 3.92 1.43 0.63 -0.61 118.68 126.43 1rxs s LEU 1108Ca -0.03 -0.40 -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 44.41 1rxs s LEU 1108CO 0.04 0.07 0.04 -0.69 0.23 0.00 0.00 176.35 176.04 1rxs s VAL 1109N 0.95 4.30 -0.22 -1.59 1.01 0.17 -1.17 120.40 123.85 1rxs s VAL 1109Ca -0.02 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 1rxs s VAL 1109Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1rxs s VAL 1109CO -0.01 0.40 0.49 -0.89 0.00 0.00 0.00 175.10 175.09 1rxs s THR 1110N 1.11 5.11 0.02 3.92 2.01 -0.93 -1.75 115.64 125.14 1rxs s THR 1110Ca 0.04 0.88 -0.05 0.00 0.31 0.00 0.00 61.69 62.87 1rxs s THR 1110Cb -0.14 -3.82 -0.29 0.00 0.01 0.00 0.00 72.50 68.26 1rxs s THR 1110CO 0.03 0.17 0.94 0.71 -0.69 0.00 0.00 174.62 175.77 1rxs h THR 1111N 5.18 1.25 -2.81 -0.82 1.35 -1.08 -3.41 112.91 112.58 1rxs h THR 1111Ca -0.33 -2.84 0.03 0.00 -0.55 0.00 0.00 66.41 62.72 1rxs h THR 1111Cb 1.15 2.85 -0.12 0.00 -1.73 0.00 0.00 68.15 70.30 1rxs h THR 1111CO 0.73 0.84 0.29 0.00 -0.25 0.00 0.00 175.52 177.13 1rxs s ALA 1112N -2.62 -1.60 0.05 6.62 0.00 -1.25 -1.15 121.76 121.79 1rxs s ALA 1112Ca -0.08 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.44 1rxs s ALA 1112Cb 0.06 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1rxs s ALA 1112CO 0.87 -0.80 -0.18 -1.12 0.00 0.00 0.00 175.76 174.53 1rxs s SER 1113N -2.72 3.81 0.03 0.00 0.01 -0.12 -1.93 113.70 112.78 1rxs s SER 1113Ca 0.04 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1rxs s SER 1113Cb -0.02 -0.61 -0.06 0.00 0.21 0.00 0.00 66.02 65.54 1rxs s SER 1113CO -0.09 0.25 1.47 -0.69 0.41 0.00 0.00 173.24 174.60 1rxs s VAL 1114N -0.94 3.48 -1.22 3.43 1.01 0.11 -4.35 120.40 121.93 1rxs s VAL 1114Ca 0.15 0.90 -0.14 0.00 0.00 0.00 0.00 61.98 62.90 1rxs s VAL 1114Cb -0.10 -3.58 0.17 0.00 0.00 0.00 0.00 36.38 32.86 1rxs s VAL 1114CO 0.06 0.00 1.46 0.54 0.00 0.00 0.00 175.10 177.16 1rxs n ARG 1115N 5.35 3.37 -0.89 2.72 1.74 -1.26 -1.58 116.66 126.12 1rxs n ARG 1115Ca 0.14 -3.83 -0.17 0.00 -0.77 0.00 0.00 57.85 53.22 1rxs n ARG 1115Cb 0.43 -3.05 0.13 0.00 -1.02 0.00 0.00 32.46 28.95 1rxs n ARG 1115CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxs n LEU 1116N 5.63 5.70 -4.73 0.55 4.77 -0.58 -4.94 117.00 123.40 1rxs n LEU 1116Ca 0.37 -3.02 -0.31 0.00 -0.03 0.00 0.00 56.01 53.03 1rxs n LEU 1116Cb 0.42 -0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 1rxs n LEU 1116CO 0.64 0.89 -0.25 1.51 -1.33 0.00 0.00 177.39 178.85 1rxs s ASP 1117N -0.67 4.10 -0.21 -1.43 -4.77 -1.22 -1.83 116.67 110.64 1rxs s ASP 1117Ca 0.41 -1.53 0.09 0.00 -3.30 0.00 0.00 52.55 48.23 1rxs s ASP 1117Cb 0.35 0.20 -0.19 0.00 -1.09 0.00 0.00 42.92 42.19 1rxs s ASP 1117CO 0.08 -0.73 -0.07 0.61 0.70 0.00 0.00 175.17 175.75 1rxs n GLY 1118N -1.20 -0.63 0.25 2.12 0.00 -1.26 -4.65 105.19 99.81 1rxs n GLY 1118Ca -0.13 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 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 0.46 0.91 -0.93 4.61 0.00 -1.98 -2.90 119.26 119.43 1rxs h ALA 1119Ca -0.52 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.08 1rxs h ALA 1119Cb 1.99 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 1rxs h ALA 1119CO -0.03 0.62 0.60 0.66 0.00 0.00 0.00 179.25 181.10 1rxs h SER 1120N 0.56 0.91 -0.06 0.00 4.64 -1.85 0.64 113.55 118.39 1rxs h SER 1120Ca 0.07 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1rxs h SER 1120Cb 0.78 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1rxs h SER 1120CO 0.06 0.56 0.23 -0.07 -0.87 0.00 0.00 176.83 176.74 1rxs h LEU 1121N 1.02 0.00 -0.16 5.97 3.38 -1.62 0.13 115.31 124.03 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 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1rxs h LEU 1121CO -0.17 0.00 -0.10 1.41 0.09 0.00 0.00 178.44 179.67 1rxs n HIS 1122N -3.17 0.00 -0.03 1.13 8.25 0.22 -3.95 115.22 117.66 1rxs n HIS 1122Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 1rxs n HIS 1122Cb 0.31 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.08 0.00 -3.81 4.41 3.72 0.34 -5.08 117.46 115.97 1rxs n PHE 1123Ca 0.14 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.42 1rxs n PHE 1123Cb 0.27 -0.26 -0.09 0.00 -0.94 0.00 0.00 39.48 38.47 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 -2.13 -0.56 0.87 4.37 0.00 -0.59 -5.03 121.76 118.69 1rxs s ALA 1124Ca -0.09 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 1rxs s ALA 1124Cb 0.02 0.12 0.12 0.00 0.00 0.00 0.00 23.12 23.38 1rxs s ALA 1124CO 0.15 -0.25 1.12 -1.25 0.00 0.00 0.00 175.76 175.53 1rxs s PRO 1125N -1.50 1.40 0.30 0.00 0.04 -1.26 -3.86 135.00 130.11 1rxs s PRO 1125Ca -0.13 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.32 1rxs s PRO 1125Cb -0.06 -1.78 0.65 0.00 0.04 0.00 0.00 34.50 33.35 1rxs s PRO 1125CO 0.02 -2.31 1.81 1.25 0.04 0.00 0.00 177.00 177.82 1rxs h LEU 1126N -1.63 0.85 -2.15 -3.56 5.85 -1.94 -1.05 115.31 111.69 1rxs h LEU 1126Ca -0.44 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1rxs h LEU 1126Cb 1.26 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1rxs h LEU 1126CO 0.46 0.39 0.23 1.05 -0.34 0.00 0.00 178.44 180.23 1rxs h GLU 1127N 0.88 0.00 -6.46 1.25 9.09 -2.03 -3.42 114.58 113.88 1rxs h GLU 1127Ca 0.53 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.41 1rxs h GLU 1127Cb 0.68 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.77 1rxs h GLU 1127CO -0.31 0.00 0.42 0.12 0.05 0.00 0.00 179.01 179.29 1rxs s PHE 1128N -4.04 3.62 0.06 2.06 5.36 -0.40 -4.99 117.98 119.66 1rxs s PHE 1128Ca -0.04 1.61 -0.31 0.00 -0.96 0.00 0.00 56.93 57.24 1rxs s PHE 1128Cb 0.09 -3.19 -0.06 0.00 -0.34 0.00 0.00 43.02 39.52 1rxs s PHE 1128CO 0.29 -0.33 1.23 -1.25 -1.46 0.00 0.00 175.22 173.71 1rxs s PRO 1129N 0.80 4.41 -1.23 10.12 0.04 -1.26 -4.91 135.00 142.96 1rxs s PRO 1129Ca 0.53 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 63.25 1rxs s PRO 1129Cb -0.24 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 1rxs s PRO 1129CO 0.29 -0.30 2.31 0.00 0.04 0.00 0.00 177.00 179.33 1rxs n ALA 1130N 4.04 5.33 -2.77 8.56 0.00 -1.26 -4.79 120.51 129.61 1rxs n ALA 1130Ca 0.10 -3.29 -0.37 0.00 0.00 0.00 0.00 53.44 49.88 1rxs n ALA 1130Cb 0.46 -3.42 -0.07 0.00 0.00 0.00 0.00 19.45 16.42 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 3.43 5.39 0.56 0.00 0.11 -1.26 -0.94 120.40 127.68 1rxs s VAL 1131Ca 0.53 0.35 -0.17 0.00 -2.93 0.00 0.00 61.98 59.77 1rxs s VAL 1131Cb 0.14 -3.49 -0.05 0.00 -1.53 0.00 0.00 36.38 31.45 1rxs s VAL 1131CO -0.02 0.55 1.04 0.00 -3.33 0.00 0.00 175.10 173.33 1rxs s ALA 1132N -0.57 2.83 0.28 1.54 0.00 -0.30 -4.68 121.76 120.86 1rxs s ALA 1132Ca 0.15 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 1rxs s ALA 1132Cb -0.13 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1rxs s ALA 1132CO 0.04 -0.60 1.46 0.34 0.00 0.00 0.00 175.76 177.00 1rxs s ASP 1133N -2.70 6.59 0.17 0.00 -1.08 0.03 -4.93 116.67 114.75 1rxs s ASP 1133Ca 0.63 2.75 -0.13 0.00 -0.52 0.00 0.00 52.55 55.29 1rxs s ASP 1133Cb -0.15 -2.63 0.07 0.00 -1.46 0.00 0.00 42.92 38.75 1rxs s ASP 1133CO 0.33 -0.74 1.76 0.15 0.52 0.00 0.00 175.17 177.19 1rxs h PHE 1134N 4.66 0.80 -0.38 -5.34 3.04 -1.95 -1.17 116.94 116.60 1rxs h PHE 1134Ca -0.47 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.42 1rxs h PHE 1134Cb 1.22 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1rxs h PHE 1134CO 0.59 0.60 0.13 0.93 -2.02 0.00 0.00 178.31 178.54 1rxs h GLU 1135N 0.76 0.58 -0.14 1.11 5.08 -1.95 -0.57 114.58 119.44 1rxs h GLU 1135Ca 0.19 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1rxs h GLU 1135Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1rxs h GLU 1135CO -0.03 0.58 0.09 0.00 -1.00 0.00 0.00 179.01 178.65 1rxs h THR 1137N 0.18 0.93 0.04 0.00 2.02 -1.16 0.17 112.91 115.09 1rxs h THR 1137Ca 0.05 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1rxs h THR 1137Cb -0.01 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1rxs h THR 1137CO -0.01 0.08 -0.12 0.74 0.37 0.00 0.00 175.52 176.58 1rxs h THR 1138N 0.42 0.72 -0.87 3.16 2.02 -0.67 0.17 112.91 117.86 1rxs h THR 1138Ca 0.21 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.48 1rxs h THR 1138Cb 0.14 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 1rxs h THR 1138CO -0.16 0.00 0.51 0.00 0.37 0.00 0.00 175.52 176.24 1rxs h ALA 1139N 0.70 1.25 -0.13 6.16 0.00 -0.42 0.73 119.26 127.55 1rxs h ALA 1139Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1rxs h ALA 1139Cb 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rxs h ALA 1139CO -0.09 0.15 -0.01 -0.07 0.00 0.00 0.00 179.25 179.23 1rxs h LEU 1140N 0.86 0.24 -0.67 0.00 3.38 -0.39 0.02 115.31 118.75 1rxs h LEU 1140Ca 0.42 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rxs h LEU 1140Cb 0.37 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1rxs h LEU 1140CO -0.24 0.52 0.38 0.58 0.09 0.00 0.00 178.44 179.76 1rxs h VAL 1141N -0.03 1.20 -0.20 1.22 2.07 -0.28 -1.44 116.25 118.79 1rxs h VAL 1141Ca 0.04 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 1rxs h VAL 1141Cb 0.40 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1rxs h VAL 1141CO 0.01 0.22 -0.46 -0.33 0.02 0.00 0.00 177.57 177.03 1rxs h GLU 1142N 0.91 0.51 -0.52 1.57 5.08 -0.81 -1.50 114.58 119.83 1rxs h GLU 1142Ca 0.24 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1rxs h GLU 1142Cb 0.02 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1rxs h GLU 1142CO -0.04 0.87 0.08 0.00 -1.00 0.00 0.00 179.01 178.92 1rxs h ALA 1143N 1.09 0.69 -0.70 3.43 0.00 -0.72 -1.50 119.26 121.54 1rxs h ALA 1143Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1rxs h ALA 1143Cb 0.97 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1rxs h ALA 1143CO 0.09 0.43 0.32 0.00 0.00 0.00 0.00 179.25 180.09 1rxs h ALA 1144N 0.98 0.91 -0.91 0.00 0.00 -1.03 -2.36 119.26 116.84 1rxs h ALA 1144Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rxs h ALA 1144Cb 0.40 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1rxs h ALA 1144CO 0.01 0.49 0.54 -0.22 0.00 0.00 0.00 179.25 180.07 1rxs h LYS 1145N 0.98 1.24 0.00 0.00 1.63 -1.09 -1.81 116.57 117.53 1rxs h LYS 1145Ca 0.24 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1rxs h LYS 1145Cb 0.15 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1rxs h LYS 1145CO -0.03 0.88 -0.32 0.66 -3.45 0.00 0.00 179.45 177.19 1rxs h SER 1146N 1.26 0.00 -0.06 4.20 4.64 -0.76 -2.55 113.55 120.28 1rxs h SER 1146Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1rxs h SER 1146Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1rxs h SER 1146CO -0.06 0.32 0.00 2.30 -0.87 0.00 0.00 176.83 178.52 1rxs n ILE 1147N -3.58 0.07 -1.38 0.95 -6.64 -1.01 -5.01 119.36 102.77 1rxs n ILE 1147Ca -0.01 -0.54 -0.04 0.00 -1.77 0.00 0.00 62.75 60.40 1rxs n ILE 1147Cb 0.45 1.31 -0.01 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 1.02 0.56 3.78 3.28 0.00 -0.72 -5.03 105.19 108.08 1rxs n GLY 1148Ca 0.11 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.17 3.15 -0.14 4.61 0.00 -0.99 -4.99 121.76 121.24 1rxs s ALA 1149Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1rxs s ALA 1149Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1rxs s ALA 1149CO 0.00 -0.21 1.25 0.95 0.00 0.00 0.00 175.76 177.75 1rxs s THR 1150N -1.55 4.27 0.03 0.00 -4.23 -1.26 -4.73 115.64 108.16 1rxs s THR 1150Ca 0.55 1.55 0.08 0.00 -1.18 0.00 0.00 61.69 62.69 1rxs s THR 1150Cb -0.24 -4.00 -0.03 0.00 1.34 0.00 0.00 72.50 69.58 1rxs s THR 1150CO 0.30 -0.10 -0.25 -0.89 -0.54 0.00 0.00 174.62 173.14 1rxs s THR 1151N 3.20 1.98 -0.04 3.99 2.01 -1.26 -1.56 115.64 123.96 1rxs s THR 1151Ca 0.55 -1.25 0.07 0.00 0.31 0.00 0.00 61.69 61.37 1rxs s THR 1151Cb -0.22 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1rxs s THR 1151CO 0.16 0.39 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.25 1rxs s HIS 1152N -0.73 2.20 -0.13 4.92 3.76 0.22 -4.95 115.29 120.58 1rxs s HIS 1152Ca 0.10 -0.54 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 1rxs s HIS 1152Cb -0.10 -1.44 0.01 0.00 1.11 0.00 0.00 32.58 32.16 1rxs s HIS 1152CO 0.01 -0.12 -0.22 0.08 -0.85 0.00 0.00 174.74 173.64 1rxs s VAL 1153N -0.34 2.08 -2.68 -0.90 1.01 -1.26 -0.66 120.40 117.66 1rxs s VAL 1153Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1rxs s VAL 1153Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1rxs s VAL 1153CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1rxs n GLY 1154N 3.90 -0.58 3.79 4.51 0.00 -0.72 -4.95 105.19 111.14 1rxs n GLY 1154Ca -0.20 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.49 5.02 -0.06 1.61 1.01 -1.26 -0.40 120.40 122.84 1rxs s VAL 1155Ca 0.00 0.97 0.03 0.00 0.00 0.00 0.00 61.98 62.98 1rxs s VAL 1155Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1rxs s VAL 1155CO 0.00 0.48 -0.13 -0.89 0.00 0.00 0.00 175.10 174.56 1rxs s THR 1156N -0.46 3.15 -0.25 3.92 2.01 -0.81 -0.45 115.64 122.75 1rxs s THR 1156Ca 0.26 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.40 1rxs s THR 1156Cb -0.17 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1rxs s THR 1156CO 0.13 0.59 0.48 0.00 -0.69 0.00 0.00 174.62 175.13 1rxs s ALA 1157N -0.68 3.58 -0.33 7.40 0.00 -0.03 0.10 121.76 131.80 1rxs s ALA 1157Ca 0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 1rxs s ALA 1157Cb -0.11 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.22 1rxs s ALA 1157CO 0.01 -0.67 0.08 0.45 0.00 0.00 0.00 175.76 175.62 1rxs s SER 1158N 1.51 5.20 -0.06 0.00 0.15 -0.61 -1.80 113.70 118.08 1rxs s SER 1158Ca 0.20 -1.20 0.02 0.00 0.70 0.00 0.00 55.95 55.67 1rxs s SER 1158Cb -0.16 -1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1rxs s SER 1158CO 0.09 -0.31 -0.10 -0.55 1.20 0.00 0.00 173.24 173.56 1rxs s SER 1159N 1.38 4.34 0.00 5.45 0.15 0.78 -1.53 113.70 124.27 1rxs s SER 1159Ca -0.02 -0.11 0.16 0.00 0.70 0.00 0.00 55.95 56.67 1rxs s SER 1159Cb -0.20 -1.02 0.71 0.00 -1.71 0.00 0.00 66.02 63.81 1rxs s SER 1159CO 0.02 0.35 1.48 0.47 1.20 0.00 0.00 173.24 176.76 1rxs n ASP 1160N 2.28 0.00 -4.24 5.45 10.43 -0.76 -4.33 116.55 125.38 1rxs n ASP 1160Ca -0.18 0.33 -0.18 0.00 2.57 0.00 0.00 54.79 57.34 1rxs n ASP 1160Cb 0.53 -0.42 -0.11 0.00 1.84 0.00 0.00 41.12 42.96 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 -2.84 1.32 0.04 -3.53 -4.23 -1.26 -5.00 115.64 100.14 1rxs s THR 1161Ca 0.10 -1.76 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1rxs s THR 1161Cb 0.10 -1.57 -0.23 0.00 1.34 0.00 0.00 72.50 72.14 1rxs s THR 1161CO 0.27 -0.45 0.98 0.15 -0.54 0.00 0.00 174.62 175.02 1rxs h PHE 1162N 3.43 0.11 0.00 3.99 3.57 -1.97 -3.39 116.94 122.69 1rxs h PHE 1162Ca -0.39 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1rxs h PHE 1162Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1rxs h PHE 1162CO 0.65 1.09 0.00 0.66 -2.23 0.00 0.00 178.31 178.49 1rxs n TYR 1163N -3.28 0.00 -0.24 0.41 4.02 -1.26 -4.32 117.16 112.49 1rxs n TYR 1163Ca -0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.73 1rxs n TYR 1163Cb 1.00 0.00 0.07 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 1.09 0.00 -0.72 0.13 -1.87 0.07 132.00 130.70 1rxs h PRO 1164Ca 0.00 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1rxs h PRO 1164Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 1rxs h PRO 1164CO 0.00 0.96 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 1rxs n GLY 1165N -0.70 -1.18 0.93 1.56 0.00 -1.26 -0.29 105.19 104.24 1rxs n GLY 1165Ca 0.05 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1rxs n GLY 1165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rxs n GLN 1166N -2.29 3.04 -3.96 1.61 6.02 -0.74 -4.92 117.38 116.14 1rxs n GLN 1166Ca 0.01 -2.79 -0.27 0.00 -0.01 0.00 0.00 57.00 53.95 1rxs n GLN 1166Cb 0.18 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.60 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 -0.33 -2.92 -3.25 -1.09 2.13 0.60 -4.94 120.64 110.83 1rxs n GLU 1167Ca 0.21 0.38 -0.38 0.00 0.66 0.00 0.00 57.16 58.03 1rxs n GLU 1167Cb 0.87 -4.39 -0.06 0.00 0.27 0.00 0.00 31.44 28.12 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 -6.58 4.33 -0.01 5.31 0.52 -0.06 -4.97 118.95 117.49 1rxs s ARG 1168Ca 0.05 0.52 0.19 0.00 -0.52 0.00 0.00 55.73 55.97 1rxs s ARG 1168Cb -0.02 -3.46 -0.24 0.00 0.52 0.00 0.00 34.95 31.75 1rxs s ARG 1168CO 0.89 0.09 0.69 0.66 0.02 0.00 0.00 175.30 177.65 1rxs n TYR 1169N 3.88 0.00 -2.69 -0.53 4.01 -1.26 -4.43 117.16 116.14 1rxs n TYR 1169Ca -0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 1rxs n TYR 1169Cb 0.51 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.68 5.07 -3.18 7.72 4.64 -1.26 -4.05 116.55 123.80 1rxs n ASP 1170Ca 0.01 -2.99 -0.19 0.00 -1.38 0.00 0.00 54.79 50.24 1rxs n ASP 1170Cb 0.37 -1.59 -0.07 0.00 -1.04 0.00 0.00 41.12 38.79 1rxs n ASP 1170CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1rxs n THR 1171N 4.67 0.00 -0.12 5.18 -2.24 -1.26 -5.01 114.28 115.50 1rxs n THR 1171Ca 0.40 -2.28 -0.04 0.00 -2.27 0.00 0.00 64.05 59.86 1rxs n THR 1171Cb 0.42 1.09 0.03 0.00 -2.10 0.00 0.00 70.33 69.77 1rxs n THR 1171CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1rxs h TYR 1172N 1.95 0.10 0.00 4.78 5.03 -1.99 -3.18 116.97 123.66 1rxs h TYR 1172Ca -0.23 0.03 -0.23 0.00 2.58 0.00 0.00 58.73 60.87 1rxs h TYR 1172Cb 1.13 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.39 1rxs h TYR 1172CO 0.00 -0.01 -1.46 0.66 -1.32 0.00 0.00 178.16 176.02 1rxs h SER 1173N 0.18 0.00 -0.13 -2.11 4.64 -1.97 -3.48 113.55 110.69 1rxs h SER 1173Ca 0.20 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 1rxs h SER 1173Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1rxs h SER 1173CO -0.28 0.83 -0.05 0.61 -0.87 0.00 0.00 176.83 177.07 1rxs n GLY 1174N 1.46 0.58 3.08 -0.77 0.00 -1.20 -4.99 105.19 103.35 1rxs n GLY 1174Ca -0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.46 0.60 -0.06 1.61 1.70 -1.26 -4.90 118.95 115.17 1rxs s ARG 1175Ca 0.00 -0.99 0.05 0.00 -0.47 0.00 0.00 55.73 54.32 1rxs s ARG 1175Cb 0.00 -0.10 -0.01 0.00 -0.57 0.00 0.00 34.95 34.27 1rxs s ARG 1175CO 0.00 -0.02 -0.22 0.08 -1.08 0.00 0.00 175.30 174.06 1rxs s VAL 1176N -2.55 1.86 0.31 4.99 1.01 -1.26 -4.93 120.40 119.82 1rxs s VAL 1176Ca -0.01 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 1rxs s VAL 1176Cb -0.02 -1.58 -0.14 0.00 0.00 0.00 0.00 36.38 34.64 1rxs s VAL 1176CO -0.03 0.52 0.93 0.55 0.00 0.00 0.00 175.10 177.07 1rxs n VAL 1177N 3.09 2.03 -0.35 2.92 3.14 -1.26 -4.60 118.33 123.30 1rxs n VAL 1177Ca -0.18 -0.50 0.03 0.00 -2.96 0.00 0.00 64.34 60.73 1rxs n VAL 1177Cb 0.52 -0.90 0.10 0.00 -1.06 0.00 0.00 33.84 32.50 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 1.76 -0.01 -1.03 1.45 2.43 -1.99 0.13 114.38 117.13 1rxs h ARG 1178Ca -0.39 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 59.04 1rxs h ARG 1178Cb 1.35 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.82 1rxs h ARG 1178CO 0.59 -0.01 0.67 1.25 -1.51 0.00 0.00 179.97 180.96 1rxs h HIS 1179N -0.01 0.60 -0.00 2.20 2.76 -2.03 -2.22 115.15 116.44 1rxs h HIS 1179Ca 0.41 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1rxs h HIS 1179Cb 0.66 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1rxs h HIS 1179CO -0.78 0.07 -0.85 1.19 -1.30 0.00 0.00 177.93 176.26 1rxs n PHE 1180N -4.58 0.00 -1.74 5.26 3.01 0.42 -4.80 117.46 115.03 1rxs n PHE 1180Ca 0.24 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.28 1rxs n PHE 1180Cb 0.87 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.29 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 -2.89 4.15 0.00 -1.08 2.20 -0.84 -0.92 119.74 120.35 1rxs s LYS 1181Ca 0.11 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 1rxs s LYS 1181Cb 0.17 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1rxs s LYS 1181CO 0.79 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 1rxs n GLY 1182N 4.26 0.51 0.19 5.54 0.00 -1.26 -4.93 105.19 109.51 1rxs n GLY 1182Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1rxs n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxs h SER 1183N 0.00 0.30 -0.34 1.61 4.64 -1.34 -2.98 113.55 115.44 1rxs h SER 1183Ca 0.00 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 1rxs h SER 1183Cb 0.15 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1rxs h SER 1183CO 0.00 0.74 -0.10 -0.03 -0.87 0.00 0.00 176.83 176.57 1rxs h MET 1184N 0.23 0.67 -0.91 4.77 -1.53 -1.92 -1.28 114.93 114.96 1rxs h MET 1184Ca 0.01 -0.26 0.08 0.00 -3.44 0.00 0.00 59.70 56.09 1rxs h MET 1184Cb 0.93 -0.03 -0.06 0.00 -0.55 0.00 0.00 31.60 31.88 1rxs h MET 1184CO 0.08 0.84 0.59 1.49 0.14 0.00 0.00 176.91 180.05 1rxs h GLU 1185N 0.45 0.93 -0.05 0.39 4.81 -1.96 0.51 114.58 119.65 1rxs h GLU 1185Ca 0.08 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1rxs h GLU 1185Cb 0.61 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1rxs h GLU 1185CO 0.04 0.62 -0.01 0.93 -0.73 0.00 0.00 179.01 179.86 1rxs h GLU 1186N 0.96 0.10 -0.63 1.92 4.39 -1.27 -1.82 114.58 118.23 1rxs h GLU 1186Ca 0.41 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 1rxs h GLU 1186Cb 0.32 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1rxs h GLU 1186CO -0.17 0.41 0.34 -1.49 -1.16 0.00 0.00 179.01 176.94 1rxs h TRP 1187N -0.23 0.85 -0.00 4.33 -0.00 -0.86 -1.98 115.95 118.07 1rxs h TRP 1187Ca 0.01 -0.01 0.03 0.00 -0.00 0.00 0.00 58.89 58.92 1rxs h TRP 1187Cb 0.37 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.23 1rxs h TRP 1187CO 0.04 0.59 -0.16 0.37 -0.00 0.00 0.00 178.44 179.29 1rxs h GLN 1188N 0.87 -0.26 0.00 0.49 4.15 -0.81 -0.93 115.11 118.63 1rxs h GLN 1188Ca 0.22 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 1rxs h GLN 1188Cb 0.03 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1rxs h GLN 1188CO -0.04 -0.17 -0.15 0.00 -1.93 0.00 0.00 178.83 176.54 1rxs h ALA 1189N 0.66 1.74 -0.09 3.38 0.00 -0.88 -2.08 119.26 121.99 1rxs h ALA 1189Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rxs h ALA 1189Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1rxs h ALA 1189CO -0.16 0.19 0.00 -1.33 0.00 0.00 0.00 179.25 177.95 1rxs n MET 1190N -4.35 1.44 -0.73 0.00 2.81 -0.78 -4.89 117.12 110.62 1rxs n MET 1190Ca -0.03 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.20 1rxs n MET 1190Cb 0.22 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 1.00 0.71 3.74 3.03 0.00 -0.78 -5.02 105.19 107.87 1rxs n GLY 1191Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.46 2.32 0.03 1.61 1.01 -0.40 -4.64 120.40 117.87 1rxs s VAL 1192Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 1rxs s VAL 1192Cb 0.00 -3.17 -0.31 0.00 0.00 0.00 0.00 36.38 32.90 1rxs s VAL 1192CO 0.00 0.04 0.98 0.24 0.00 0.00 0.00 175.10 176.36 1rxs h MET 1193N 5.13 0.38 -2.23 2.72 0.00 -1.08 -3.42 114.93 116.44 1rxs h MET 1193Ca -0.46 -0.64 0.19 0.00 0.00 0.00 0.00 59.70 58.79 1rxs h MET 1193Cb 1.22 0.24 -0.09 0.00 0.00 0.00 0.00 31.60 32.96 1rxs h MET 1193CO 0.80 1.29 0.53 0.54 0.00 0.00 0.00 176.91 180.07 1rxs s ASN 1194N -7.28 -0.18 -0.06 1.22 4.22 -1.26 -0.53 114.94 111.07 1rxs s ASN 1194Ca -0.08 -0.34 0.02 0.00 -2.14 0.00 0.00 52.86 50.32 1rxs s ASN 1194Cb 0.06 0.44 -0.03 0.00 1.28 0.00 0.00 41.25 43.00 1rxs s ASN 1194CO 0.90 -0.80 -0.10 -0.31 -2.04 0.00 0.00 177.10 174.74 1rxs s TYR 1195N -3.17 2.83 0.04 1.54 1.51 -0.86 -0.85 117.35 118.40 1rxs s TYR 1195Ca 0.12 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1rxs s TYR 1195Cb -0.01 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1rxs s TYR 1195CO 0.01 0.27 0.06 -0.85 -1.11 0.00 0.00 175.55 173.92 1rxs n GLU 1196N 2.26 0.08 0.00 -0.62 -0.00 -0.75 -3.39 120.64 118.23 1rxs n GLU 1196Ca -0.18 -0.33 0.00 0.00 -0.00 0.00 0.00 57.16 56.65 1rxs n GLU 1196Cb 0.53 0.32 0.00 0.00 -0.00 0.00 0.00 31.44 32.29 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 -0.07 1.75 0.00 3.44 2.81 -1.26 -0.16 117.12 123.63 1rxs n MET 1197Ca 0.00 -1.10 0.00 0.00 -1.81 0.00 0.00 57.70 54.79 1rxs n MET 1197Cb 0.07 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 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 -0.31 2.52 -0.30 0.03 4.71 -1.26 -3.48 120.64 122.54 1rxs n GLU 1198Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1rxs n GLU 1198Cb 0.28 -0.77 0.07 0.00 -1.01 0.00 0.00 31.44 30.02 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 1.11 -0.54 1.62 4.64 -1.94 -1.40 113.55 117.05 1rxs h SER 1199Ca 0.00 -0.15 0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1rxs h SER 1199Cb 0.23 -0.29 -0.05 0.00 -0.31 0.00 0.00 62.40 61.98 1rxs h SER 1199CO 0.00 0.95 0.25 0.00 -0.87 0.00 0.00 176.83 177.16 1rxs h ALA 1200N 1.20 0.69 0.04 5.18 0.00 -1.86 0.42 119.26 124.93 1rxs h ALA 1200Ca 0.28 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1rxs h ALA 1200Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rxs h ALA 1200CO -0.03 -0.12 -0.02 1.15 0.00 0.00 0.00 179.25 180.23 1rxs h THR 1201N 0.47 1.19 0.26 0.00 2.02 -1.81 -2.06 112.91 112.97 1rxs h THR 1201Ca 0.25 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1rxs h THR 1201Cb 0.21 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1rxs h THR 1201CO -0.20 0.19 -0.21 0.25 0.37 0.00 0.00 175.52 175.91 1rxs h LEU 1202N -0.38 -0.54 -0.82 2.58 5.85 -0.71 -0.71 115.31 120.57 1rxs h LEU 1202Ca -0.01 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1rxs h LEU 1202Cb 0.35 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1rxs h LEU 1202CO 0.01 -0.32 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.67 1rxs h LEU 1203N -0.48 0.81 -0.19 2.25 3.38 -0.24 -1.46 115.31 119.38 1rxs h LEU 1203Ca -0.01 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1rxs h LEU 1203Cb 0.43 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rxs h LEU 1203CO -0.02 0.90 -0.21 0.74 0.09 0.00 0.00 178.44 179.95 1rxs h THR 1204N 0.76 1.33 0.00 0.22 2.02 -1.17 -0.33 112.91 115.74 1rxs h THR 1204Ca 0.14 -1.38 -0.11 0.00 0.77 0.00 0.00 66.41 65.82 1rxs h THR 1204Cb 0.53 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1rxs h THR 1204CO 0.03 0.42 -0.54 0.00 0.37 0.00 0.00 175.52 175.79 1rxs h MET 1205N 0.14 0.00 0.03 6.66 -0.00 -0.99 -1.93 114.93 118.84 1rxs h MET 1205Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.64 1rxs h MET 1205Cb 0.76 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.37 1rxs h MET 1205CO 0.05 0.54 -0.38 0.00 -0.00 0.00 0.00 176.91 177.12 1rxs h ALA 1207N 0.17 1.58 -0.39 0.00 0.00 -0.94 -1.43 119.26 118.26 1rxs h ALA 1207Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rxs h ALA 1207Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rxs h ALA 1207CO 0.07 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 1rxs n SER 1208N -3.99 3.26 -0.17 0.00 3.41 -0.74 -4.25 113.62 111.15 1rxs n SER 1208Ca -0.03 -1.96 0.01 0.00 -0.26 0.00 0.00 58.87 56.63 1rxs n SER 1208Cb 0.13 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.35 0.66 -1.89 4.33 6.02 -0.70 -5.01 117.38 122.14 1rxs n GLN 1209Ca 0.19 -1.10 -0.12 0.00 -0.01 0.00 0.00 57.00 55.96 1rxs n GLN 1209Cb 0.57 -0.72 -0.02 0.00 1.02 0.00 0.00 30.24 31.09 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 -0.28 0.42 3.80 1.08 0.00 -1.02 -5.02 105.19 104.18 1rxs n GLY 1210Ca 0.02 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.16 3.96 -0.08 0.99 1.43 -0.63 -5.06 118.68 116.14 1rxs s LEU 1211Ca 0.00 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 1rxs s LEU 1211Cb 0.00 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1rxs s LEU 1211CO 0.00 0.25 0.49 -0.13 0.23 0.00 0.00 176.35 177.20 1rxs s ARG 1212N -1.88 4.28 0.02 1.70 0.52 -0.39 -3.97 118.95 119.24 1rxs s ARG 1212Ca 0.25 0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.98 1rxs s ARG 1212Cb -0.12 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1rxs s ARG 1212CO 0.16 0.27 -0.06 0.00 0.02 0.00 0.00 175.30 175.69 1rxs s ALA 1213N 0.25 0.41 0.08 2.13 0.00 -1.26 -0.19 121.76 123.17 1rxs s ALA 1213Ca 0.27 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1rxs s ALA 1213Cb -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1rxs s ALA 1213CO 0.12 0.00 -0.05 0.20 0.00 0.00 0.00 175.76 176.03 1rxs s GLY 1214N -0.94 0.64 -0.03 0.00 0.00 -0.11 -0.79 107.32 106.09 1rxs s GLY 1214Ca -0.06 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1rxs s GLY 1214CO -0.00 -1.39 -0.02 1.06 0.00 0.00 0.00 173.10 172.75 1rxs s MET 1215N -3.85 0.46 -0.00 2.90 -1.94 -1.26 -0.57 119.30 115.04 1rxs s MET 1215Ca 0.10 -0.01 -0.01 0.00 -1.71 0.00 0.00 55.69 54.06 1rxs s MET 1215Cb 0.06 -0.56 -0.00 0.00 2.01 0.00 0.00 34.83 36.35 1rxs s MET 1215CO -0.07 -0.08 0.01 0.54 -0.01 0.00 0.00 175.02 175.41 1rxs s VAL 1216N 0.81 0.01 -0.00 -6.03 0.11 -0.22 -2.18 120.40 112.91 1rxs s VAL 1216Ca -0.09 -0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 58.76 1rxs s VAL 1216Cb -0.12 -0.06 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 1rxs s VAL 1216CO -0.01 -0.06 0.18 0.00 -3.33 0.00 0.00 175.10 171.88 1rxs s ALA 1217N -0.17 -0.43 -0.04 1.54 0.00 -0.32 -1.32 121.76 121.01 1rxs s ALA 1217Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 1rxs s ALA 1217Cb -0.01 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1rxs s ALA 1217CO -0.00 -0.22 0.28 0.20 0.00 0.00 0.00 175.76 176.02 1rxs s GLY 1218N -1.35 2.31 -0.30 0.00 0.00 -0.60 -0.27 107.32 107.10 1rxs s GLY 1218Ca -0.14 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 43.85 1rxs s GLY 1218CO 0.02 -0.17 0.96 0.14 0.00 0.00 0.00 173.10 174.05 1rxs s VAL 1219N -1.11 4.64 -0.09 1.40 1.01 -0.74 -1.60 120.40 123.90 1rxs s VAL 1219Ca 0.21 1.58 0.18 0.00 0.00 0.00 0.00 61.98 63.96 1rxs s VAL 1219Cb -0.14 -4.30 -0.27 0.00 0.00 0.00 0.00 36.38 31.67 1rxs s VAL 1219CO 0.10 -0.35 0.27 2.30 0.00 0.00 0.00 175.10 177.43 1rxs n ILE 1220N 5.66 0.55 -3.82 2.22 -5.35 -0.49 -1.67 119.36 116.46 1rxs n ILE 1220Ca 0.09 -0.59 -0.11 0.00 -0.27 0.00 0.00 62.75 61.86 1rxs n ILE 1220Cb 0.47 -0.20 -0.08 0.00 -1.74 0.00 0.00 39.64 38.09 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 -2.97 0.09 -0.23 7.28 0.11 -1.24 -4.94 120.40 118.50 1rxs s VAL 1221Ca -0.08 -0.77 -0.03 0.00 -2.93 0.00 0.00 61.98 58.17 1rxs s VAL 1221Cb 0.09 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1rxs s VAL 1221CO 0.79 -0.42 -0.04 0.21 -3.33 0.00 0.00 175.10 172.31 1rxs s ASN 1222N -1.87 4.33 0.30 3.54 3.84 -1.26 -1.26 114.94 122.57 1rxs s ASN 1222Ca -0.08 -0.55 0.24 0.00 0.21 0.00 0.00 52.86 52.68 1rxs s ASN 1222Cb -0.03 -1.72 1.08 0.00 -0.55 0.00 0.00 41.25 40.03 1rxs s ASN 1222CO -0.02 -0.06 1.74 0.03 -2.79 0.00 0.00 177.10 176.00 1rxs h ARG 1223N 8.09 0.00 0.00 0.43 2.47 -1.19 -1.84 114.38 122.35 1rxs h ARG 1223Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 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 -2.33 0.00 0.00 2.04 -2.24 -1.26 -3.62 114.28 106.87 1rxs n THR 1224Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1rxs n THR 1224Cb 0.19 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.79 2.85 -3.68 -0.78 10.64 -0.72 -5.10 117.38 119.81 1rxs n GLN 1225Ca 0.12 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.15 1rxs n GLN 1225Cb 0.06 -0.69 -0.07 0.00 -0.86 0.00 0.00 30.24 28.67 1rxs n GLN 1225CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1rxs s GLN 1226N -1.00 0.84 -0.12 2.61 -0.21 -1.04 -5.08 119.66 115.65 1rxs s GLN 1226Ca 0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 55.36 55.13 1rxs s GLN 1226Cb 0.00 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.36 1rxs s GLN 1226CO 0.00 -0.26 -0.16 0.39 -2.12 0.00 0.00 175.29 173.14 1rxs n GLU 1227N 0.90 0.40 -3.05 2.91 1.02 -1.26 -3.95 120.64 117.61 1rxs n GLU 1227Ca -0.20 0.49 -0.40 0.00 -0.02 0.00 0.00 57.16 57.03 1rxs n GLU 1227Cb 0.58 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.10 5.00 0.03 -3.67 -1.09 -1.26 -4.99 121.20 113.13 1rxs s ILE 1228Ca -0.13 1.38 -0.01 0.00 -2.23 0.00 0.00 60.65 59.66 1rxs s ILE 1228Cb 0.02 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1rxs s ILE 1228CO 0.20 0.15 0.02 -2.65 -1.23 0.00 0.00 174.94 171.43 1rxs n PRO 1229N 4.57 -1.39 0.00 2.79 -0.02 -1.26 -5.10 135.00 134.59 1rxs n PRO 1229Ca -0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1rxs n PRO 1229Cb 0.50 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 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 -1.73 0.00 0.24 -0.52 0.00 -1.26 -5.08 117.12 108.77 1rxs n MET 1234Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.82 1rxs n MET 1234Cb 0.01 0.00 0.56 0.00 0.00 0.00 0.00 33.22 33.79 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 0.18 -0.18 1.96 -2.27 0.00 0.00 179.45 179.14 1rxs h GLN 1236N 0.00 0.00 -0.04 1.90 4.20 -2.03 -2.99 115.11 116.15 1rxs h GLN 1236Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1rxs h GLN 1236Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1rxs h GLN 1236CO 0.02 0.00 -0.17 1.15 -0.67 0.00 0.00 178.83 179.16 1rxs h THR 1237N 0.00 1.46 0.00 -0.54 2.02 -1.85 -2.68 112.91 111.32 1rxs h THR 1237Ca 0.00 -1.63 -0.09 0.00 0.77 0.00 0.00 66.41 65.46 1rxs h THR 1237Cb 0.85 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1rxs h THR 1237CO 0.00 0.45 -0.42 1.05 0.37 0.00 0.00 175.52 176.97 1rxs h GLU 1238N -0.37 0.00 -0.19 6.66 4.11 -1.66 -2.21 114.58 120.92 1rxs h GLU 1238Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1rxs h GLU 1238Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1rxs h GLU 1238CO 0.04 0.42 0.12 0.77 0.07 0.00 0.00 179.01 180.42 1rxs h SER 1239N 0.00 0.22 0.11 3.06 0.02 -1.56 0.14 113.55 115.54 1rxs h SER 1239Ca -0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1rxs h SER 1239Cb 0.98 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1rxs h SER 1239CO 0.05 0.16 -0.05 0.45 -1.14 0.00 0.00 176.83 176.31 1rxs h HIS 1240N 0.25 -0.14 -0.71 3.45 3.86 -1.07 -2.40 115.15 118.40 1rxs h HIS 1240Ca 0.07 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1rxs h HIS 1240Cb -0.02 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1rxs h HIS 1240CO 0.00 0.36 0.44 0.00 0.86 0.00 0.00 177.93 179.60 1rxs h ALA 1241N -0.14 0.90 -0.36 2.45 0.00 -1.30 0.64 119.26 121.46 1rxs h ALA 1241Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rxs h ALA 1241Cb 0.56 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1rxs h ALA 1241CO 0.03 0.35 0.13 0.28 0.00 0.00 0.00 179.25 180.03 1rxs h VAL 1242N 0.96 1.20 -0.78 0.00 2.07 -0.81 0.04 116.25 118.93 1rxs h VAL 1242Ca 0.26 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1rxs h VAL 1242Cb -0.06 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1rxs h VAL 1242CO -0.05 0.22 0.42 0.50 0.02 0.00 0.00 177.57 178.68 1rxs h LYS 1243N 0.43 0.69 -0.35 1.57 3.64 -0.97 -1.64 116.57 119.94 1rxs h LYS 1243Ca 0.12 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1rxs h LYS 1243Cb 0.22 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1rxs h LYS 1243CO -0.01 0.46 0.00 0.82 -2.27 0.00 0.00 179.45 178.45 1rxs h ILE 1244N 0.71 1.26 -0.63 2.00 2.04 -0.21 -1.57 117.51 121.12 1rxs h ILE 1244Ca 0.38 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 1rxs h ILE 1244Cb 0.36 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1rxs h ILE 1244CO -0.25 0.32 0.10 1.62 0.00 0.00 0.00 178.15 179.94 1rxs h VAL 1245N 0.43 1.26 -0.37 1.67 3.04 -0.53 0.72 116.25 122.47 1rxs h VAL 1245Ca 0.10 -1.00 -0.06 0.00 -1.01 0.00 0.00 66.70 64.73 1rxs h VAL 1245Cb 0.45 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 1rxs h VAL 1245CO 0.02 0.37 -0.01 0.58 -1.01 0.00 0.00 177.57 177.52 1rxs h VAL 1246N 0.96 1.26 -0.53 1.51 2.07 -1.26 -0.64 116.25 119.63 1rxs h VAL 1246Ca 0.19 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1rxs h VAL 1246Cb 0.41 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1rxs h VAL 1246CO 0.01 0.34 0.09 -0.08 0.02 0.00 0.00 177.57 177.95 1rxs h GLU 1247N 0.47 0.82 -0.32 1.57 4.57 -0.99 -1.42 114.58 119.28 1rxs h GLU 1247Ca 0.10 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1rxs h GLU 1247Cb 0.48 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1rxs h GLU 1247CO 0.02 0.77 0.07 0.00 -1.18 0.00 0.00 179.01 178.69 1rxs h ALA 1248N 1.31 0.42 -0.68 2.92 0.00 -0.65 -2.68 119.26 119.92 1rxs h ALA 1248Ca 0.17 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1rxs h ALA 1248Cb 0.34 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1rxs h ALA 1248CO 0.00 0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.57 1rxs h ALA 1249N 0.90 0.89 -0.72 0.00 0.00 -0.75 -0.47 119.26 119.12 1rxs h ALA 1249Ca 0.10 0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.28 1rxs h ALA 1249Cb 0.31 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1rxs h ALA 1249CO 0.00 -0.24 0.17 -0.09 0.00 0.00 0.00 179.25 179.09 1rxs h ARG 1250N 0.37 0.26 0.00 0.00 2.43 -0.94 -1.38 114.38 115.12 1rxs h ARG 1250Ca 0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1rxs h ARG 1250Cb 0.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1rxs h ARG 1250CO -0.39 0.17 0.00 0.00 -1.51 0.00 0.00 179.97 178.24 1rxs h ARG 1251N 0.27 0.00 -0.23 0.20 3.08 -0.87 -3.18 114.38 113.64 1rxs h ARG 1251Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1rxs h ARG 1251Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1rxs h ARG 1251CO -0.50 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.68 1rxs n LEU 1252N -2.53 3.24 0.00 3.04 4.77 -0.54 -5.06 117.00 119.92 1rxs n LEU 1252Ca 0.04 -1.27 0.14 0.00 -0.03 0.00 0.00 56.01 54.89 1rxs n LEU 1252Cb 0.38 -0.14 0.84 0.00 -2.33 0.00 0.00 43.42 42.16 1rxs n LEU 1252CO 0.28 0.64 1.01 0.18 -1.33 0.00 0.00 177.39 178.16