#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dps n ASP 1005N 0.00 0.65 -4.27 4.04 8.00 0.18 -4.92 116.55 120.22 3dps n ASP 1005Ca 0.00 -0.37 -0.20 0.00 0.71 0.00 0.00 54.79 54.93 3dps n ASP 1005Cb 0.00 0.56 -0.12 0.00 -0.02 0.00 0.00 41.12 41.54 3dps n ASP 1005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3dps s VAL 1006N -3.07 1.51 0.34 2.53 -7.23 -1.21 -5.05 120.40 108.23 3dps s VAL 1006Ca 0.08 -1.68 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 3dps s VAL 1006Cb 0.16 -1.56 0.16 0.00 0.56 0.00 0.00 36.38 35.71 3dps s VAL 1006CO 0.77 -0.29 1.88 -0.26 -0.31 0.00 0.00 175.10 176.89 3dps h PHE 1007N 3.67 0.55 0.00 2.82 0.04 -1.94 -3.36 116.94 118.71 3dps h PHE 1007Ca -0.42 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.25 3dps h PHE 1007Cb 1.19 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 3dps h PHE 1007CO 0.65 0.52 -1.19 0.72 -0.60 0.00 0.00 178.31 178.41 3dps n HIS 1008N -4.29 0.00 0.23 -0.55 8.25 -1.26 -4.76 115.22 112.85 3dps n HIS 1008Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 3dps n HIS 1008Cb 0.23 -0.13 0.45 0.00 1.12 0.00 0.00 29.99 31.67 3dps n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3dps h LEU 1009N 0.00 0.00 -0.30 2.41 3.38 -1.94 -3.45 115.31 115.41 3dps h LEU 1009Ca -0.08 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.61 3dps h LEU 1009Cb 1.12 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.95 3dps h LEU 1009CO -0.01 0.13 -0.46 0.61 0.09 0.00 0.00 178.44 178.80 3dps n GLY 1010N 0.35 -0.13 3.38 0.83 0.00 -1.26 -4.69 105.19 103.68 3dps n GLY 1010Ca 0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3dps n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dps s LEU 1011N -5.21 2.30 0.30 0.99 1.43 -1.26 -4.85 118.68 112.37 3dps s LEU 1011Ca 0.33 -0.73 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3dps s LEU 1011Cb -0.15 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 3dps s LEU 1011CO 0.41 0.18 0.31 0.42 0.23 0.00 0.00 176.35 177.90 3dps s THR 1012N -1.04 4.14 0.29 5.49 -4.23 -1.26 -0.65 115.64 118.38 3dps s THR 1012Ca 0.13 -1.25 -0.03 0.00 -1.18 0.00 0.00 61.69 59.36 3dps s THR 1012Cb -0.10 -3.39 0.24 0.00 1.34 0.00 0.00 72.50 70.60 3dps s THR 1012CO 0.06 -0.24 1.94 0.50 -0.54 0.00 0.00 174.62 176.33 3dps h LYS 1013N 1.23 1.10 0.00 3.99 3.64 -1.97 -2.47 116.57 122.10 3dps h LYS 1013Ca -0.47 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 3dps h LYS 1013Cb 1.25 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3dps h LYS 1013CO 0.58 0.76 -0.14 -0.97 -2.27 0.00 0.00 179.45 177.41 3dps h ASN 1014N 1.12 0.00 -0.70 4.20 -0.73 -1.95 -2.00 115.58 115.53 3dps h ASN 1014Ca 0.30 0.00 0.08 0.00 1.87 0.00 0.00 56.30 58.55 3dps h ASN 1014Cb -0.07 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.48 3dps h ASN 1014CO -0.06 0.14 0.46 0.44 -0.37 0.00 0.00 177.43 178.04 3dps h ASP 1015N 0.00 0.56 1.29 1.15 3.45 -1.84 -1.56 116.42 119.46 3dps h ASP 1015Ca -0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3dps h ASP 1015Cb 0.27 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3dps h ASP 1015CO 0.02 0.34 0.00 -0.07 -1.57 0.00 0.00 179.24 177.96 3dps h LEU 1016N 0.62 0.00 -0.97 1.55 4.07 -1.47 -3.47 115.31 115.65 3dps h LEU 1016Ca 0.31 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.80 3dps h LEU 1016Cb 0.41 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 3dps h LEU 1016CO -0.11 0.00 -0.75 0.00 -1.08 0.00 0.00 178.44 176.50 3dps n GLN 1017N -2.57 -5.73 -1.00 1.13 1.13 -0.59 -1.20 117.38 108.54 3dps n GLN 1017Ca 0.03 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 3dps n GLN 1017Cb 0.37 -5.52 0.00 0.00 0.11 0.00 0.00 30.24 25.20 3dps n GLN 1017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dps n GLY 1018N -1.72 0.50 3.72 1.08 0.00 -1.26 -4.68 105.19 102.83 3dps n GLY 1018Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3dps n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dps n ALA 1019N 1.00 1.58 -0.56 4.61 0.00 -0.34 -4.86 120.51 121.94 3dps n ALA 1019Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3dps n ALA 1019Cb 0.01 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.15 3dps n ALA 1019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dps n GLN 1020N 0.22 0.20 -4.76 0.00 6.02 -1.26 -4.36 117.38 113.44 3dps n GLN 1020Ca 0.05 -0.48 -0.25 0.00 -0.01 0.00 0.00 57.00 56.31 3dps n GLN 1020Cb 0.39 -0.72 -0.16 0.00 1.02 0.00 0.00 30.24 30.77 3dps n GLN 1020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3dps s LEU 1021N -0.16 1.91 -0.02 1.08 0.20 -1.26 -1.39 118.68 119.03 3dps s LEU 1021Ca 0.00 -0.32 0.06 0.00 0.69 0.00 0.00 54.13 54.56 3dps s LEU 1021Cb 0.00 -0.90 -0.01 0.00 -0.43 0.00 0.00 46.19 44.85 3dps s LEU 1021CO 0.00 0.14 -0.19 0.00 -0.29 0.00 0.00 176.35 176.01 3dps s ALA 1022N 0.02 1.61 -0.18 5.97 0.00 0.05 -1.65 121.76 127.57 3dps s ALA 1022Ca -0.03 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 3dps s ALA 1022Cb -0.11 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 3dps s ALA 1022CO 0.02 0.38 0.30 0.42 0.00 0.00 0.00 175.76 176.88 3dps s ILE 1023N -0.40 5.29 -0.50 0.00 1.01 0.34 -0.94 121.20 126.00 3dps s ILE 1023Ca 0.06 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.29 3dps s ILE 1023Cb -0.08 -3.64 0.14 0.00 0.01 0.00 0.00 42.46 38.89 3dps s ILE 1023CO -0.00 0.36 0.28 0.68 0.00 0.00 0.00 174.94 176.25 3dps s VAL 1024N 0.70 1.95 0.79 2.92 -7.23 0.35 -1.65 120.40 118.23 3dps s VAL 1024Ca 0.16 -3.04 -0.12 0.00 -1.81 0.00 0.00 61.98 57.17 3dps s VAL 1024Cb -0.13 -2.34 0.07 0.00 0.56 0.00 0.00 36.38 34.53 3dps s VAL 1024CO 0.05 -0.89 1.13 -2.16 -0.31 0.00 0.00 175.10 172.91 3dps s PRO 1025N -0.11 2.13 -0.01 4.82 0.04 -1.24 -3.59 135.00 137.04 3dps s PRO 1025Ca 0.19 0.36 -0.20 0.00 0.04 0.00 0.00 61.00 61.39 3dps s PRO 1025Cb -0.21 -1.95 -0.25 0.00 0.04 0.00 0.00 34.50 32.13 3dps s PRO 1025CO -0.03 -1.53 1.06 0.78 0.04 0.00 0.00 177.00 177.32 3dps h GLY 1026N -1.01 0.43 -6.96 0.56 0.00 -1.86 -0.90 103.07 93.32 3dps h GLY 1026Ca -0.47 -0.79 -0.62 0.00 0.00 0.00 0.00 47.33 45.45 3dps h GLY 1026CO 0.63 0.70 -0.35 -0.35 0.00 0.00 0.00 176.54 177.17 3dps s ASP 1027N -6.77 6.24 0.32 0.19 3.68 -1.26 -1.39 116.67 117.68 3dps s ASP 1027Ca -0.13 0.27 0.09 0.00 2.13 0.00 0.00 52.55 54.91 3dps s ASP 1027Cb 0.03 -2.17 0.87 0.00 -1.45 0.00 0.00 42.92 40.20 3dps s ASP 1027CO 0.82 -0.04 1.74 -0.65 0.13 0.00 0.00 175.17 177.17 3dps h PRO 1028N 7.67 0.59 -0.67 4.34 0.11 -1.89 0.20 132.00 142.35 3dps h PRO 1028Ca -0.36 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 65.91 3dps h PRO 1028Cb 1.17 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3dps h PRO 1028CO 0.66 0.39 0.50 0.93 -0.21 0.00 0.00 178.00 180.27 3dps h GLU 1029N 0.61 0.00 0.00 1.05 4.39 -1.96 -1.11 114.58 117.56 3dps h GLU 1029Ca 0.64 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.34 3dps h GLU 1029Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3dps h GLU 1029CO -0.46 0.00 -0.47 -2.13 -1.16 0.00 0.00 179.01 174.78 3dps n ARG 1030N -4.28 0.04 0.28 2.33 0.63 0.06 -4.40 116.66 111.32 3dps n ARG 1030Ca 0.13 0.01 -0.16 0.00 -0.92 0.00 0.00 57.85 56.91 3dps n ARG 1030Cb 0.76 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 32.06 3dps n ARG 1030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3dps h VAL 1031N 0.00 0.51 -0.85 5.15 2.07 -1.25 -2.91 116.25 118.97 3dps h VAL 1031Ca 0.00 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3dps h VAL 1031Cb 0.53 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3dps h VAL 1031CO 0.00 0.01 0.54 -0.08 0.02 0.00 0.00 177.57 178.06 3dps h GLU 1032N -0.71 1.00 -0.94 1.57 4.81 -1.77 -1.43 114.58 117.11 3dps h GLU 1032Ca -0.07 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3dps h GLU 1032Cb 0.53 -0.23 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 3dps h GLU 1032CO 0.11 0.66 0.60 0.87 -0.73 0.00 0.00 179.01 180.53 3dps h LYS 1033N 1.03 0.95 -0.13 1.92 1.79 -1.79 0.37 116.57 120.71 3dps h LYS 1033Ca 0.35 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.61 3dps h LYS 1033Cb 0.06 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 30.50 3dps h LYS 1033CO -0.13 0.63 -0.50 0.82 -1.08 0.00 0.00 179.45 179.18 3dps h ILE 1034N 0.98 1.35 -0.09 1.86 2.04 -1.19 -3.19 117.51 119.26 3dps h ILE 1034Ca 0.43 -1.79 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 3dps h ILE 1034Cb 0.37 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3dps h ILE 1034CO -0.19 0.55 -0.07 0.00 0.00 0.00 0.00 178.15 178.43 3dps h ALA 1035N 0.51 1.72 0.00 1.87 0.00 -0.60 -2.58 119.26 120.18 3dps h ALA 1035Ca -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3dps h ALA 1035Cb 1.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3dps h ALA 1035CO 0.11 0.21 -0.24 0.00 0.00 0.00 0.00 179.25 179.33 3dps h ALA 1036N 1.80 1.26 0.00 0.00 0.00 -0.93 -2.04 119.26 119.34 3dps h ALA 1036Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3dps h ALA 1036Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dps h ALA 1036CO 0.01 0.30 0.00 -0.07 0.00 0.00 0.00 179.25 179.49 3dps h LEU 1037N 0.00 0.00 0.00 0.00 3.38 -1.53 -3.45 115.31 113.71 3dps h LEU 1037Ca -0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 3dps h LEU 1037Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3dps h LEU 1037CO 0.03 0.00 -0.19 0.23 0.09 0.00 0.00 178.44 178.60 3dps n MET 1038N -2.52 0.82 -2.85 1.13 2.81 -0.77 -5.10 117.12 110.64 3dps n MET 1038Ca 0.00 -2.70 -0.39 0.00 -1.81 0.00 0.00 57.70 52.80 3dps n MET 1038Cb 0.19 0.22 -0.06 0.00 -0.71 0.00 0.00 33.22 32.85 3dps n MET 1038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3dps s ASP 1039N -3.61 7.51 -1.21 7.83 1.01 0.32 -4.38 116.67 124.15 3dps s ASP 1039Ca 0.28 1.81 -0.07 0.00 0.71 0.00 0.00 52.55 55.28 3dps s ASP 1039Cb -0.02 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 3dps s ASP 1039CO 0.18 0.16 0.76 0.29 0.21 0.00 0.00 175.17 176.77 3dps n LYS 1040N 1.45 -3.27 -1.69 8.23 5.02 -1.26 -0.04 118.16 126.60 3dps n LYS 1040Ca -0.03 0.61 -0.44 0.00 -2.02 0.00 0.00 58.31 56.43 3dps n LYS 1040Cb 0.48 -4.96 -0.04 0.00 -0.02 0.00 0.00 35.03 30.50 3dps n LYS 1040CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3dps n PRO 1041N -4.06 2.47 -3.72 1.97 -0.02 -1.26 -4.45 135.00 125.93 3dps n PRO 1041Ca -0.20 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 61.99 3dps n PRO 1041Cb 0.64 -2.71 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 3dps n PRO 1041CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dps s VAL 1042N 1.23 -0.06 -0.07 -1.45 1.01 0.10 -5.01 120.40 116.16 3dps s VAL 1042Ca 0.78 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 3dps s VAL 1042Cb -0.59 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3dps s VAL 1042CO 0.36 0.15 1.37 -0.75 0.00 0.00 0.00 175.10 176.23 3dps s LYS 1043N 1.77 4.26 -0.17 2.72 2.20 -1.26 -0.22 119.74 129.03 3dps s LYS 1043Ca -0.00 1.86 -0.16 0.00 -0.36 0.00 0.00 55.97 57.31 3dps s LYS 1043Cb -0.12 -3.71 -0.12 0.00 -1.51 0.00 0.00 37.83 32.37 3dps s LYS 1043CO -0.03 -0.65 0.08 -0.07 -0.36 0.00 0.00 175.35 174.32 3dps h LEU 1044N 9.11 0.00 -7.73 5.43 3.38 -1.16 -3.47 115.31 120.87 3dps h LEU 1044Ca -0.34 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.41 3dps h LEU 1044Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 3dps h LEU 1044CO 0.93 1.13 0.31 0.00 0.09 0.00 0.00 178.44 180.90 3dps s ALA 1045N -2.51 -1.41 -0.28 1.53 0.00 -0.97 -5.01 121.76 113.11 3dps s ALA 1045Ca -0.21 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.72 3dps s ALA 1045Cb 0.04 0.78 0.17 0.00 0.00 0.00 0.00 23.12 24.11 3dps s ALA 1045CO 0.42 -0.99 0.50 0.45 0.00 0.00 0.00 175.76 176.14 3dps s SER 1046N -2.88 -0.62 -0.03 0.00 0.15 -1.26 -0.86 113.70 108.19 3dps s SER 1046Ca 0.10 0.31 -0.01 0.00 0.70 0.00 0.00 55.95 57.05 3dps s SER 1046Cb -0.04 1.64 0.03 0.00 -1.71 0.00 0.00 66.02 65.94 3dps s SER 1046CO 0.02 -0.30 0.06 -1.00 1.20 0.00 0.00 173.24 173.22 3dps s HIS 1047N 2.70 -0.01 0.00 3.44 3.76 -0.68 -4.98 115.29 119.52 3dps s HIS 1047Ca 0.14 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 3dps s HIS 1047Cb -0.14 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.33 3dps s HIS 1047CO -0.22 -0.11 0.00 0.54 -0.85 0.00 0.00 174.74 174.09 3dps n ARG 1048N 4.27 0.00 -0.39 1.40 5.12 -1.26 -0.07 116.66 125.72 3dps n ARG 1048Ca -0.26 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.71 3dps n ARG 1048Cb 0.50 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 32.02 3dps n ARG 1048CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3dps n GLU 1049N 14.00 2.72 -3.36 5.56 -0.58 -1.26 -4.67 120.64 133.05 3dps n GLU 1049Ca 0.00 -1.72 -0.46 0.00 -0.42 0.00 0.00 57.16 54.56 3dps n GLU 1049Cb 0.00 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.17 3dps n GLU 1049CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3dps s PHE 1050N -1.76 3.87 -0.22 -0.32 0.40 0.89 -4.14 117.98 116.70 3dps s PHE 1050Ca 0.31 -2.23 -0.12 0.00 -0.60 0.00 0.00 56.93 54.28 3dps s PHE 1050Cb 0.20 -3.78 -0.05 0.00 0.51 0.00 0.00 43.02 39.91 3dps s PHE 1050CO 0.14 -0.97 0.24 0.99 0.70 0.00 0.00 175.22 176.32 3dps s THR 1051N -0.24 5.31 -0.07 0.64 2.01 -1.26 -1.68 115.64 120.35 3dps s THR 1051Ca 0.21 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.62 3dps s THR 1051Cb -0.10 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 3dps s THR 1051CO -0.09 0.32 -0.23 -0.94 -0.69 0.00 0.00 174.62 172.99 3dps s SER 1052N 1.01 2.90 0.17 3.53 1.04 -0.04 -2.16 113.70 120.14 3dps s SER 1052Ca 0.11 -0.50 0.11 0.00 0.48 0.00 0.00 55.95 56.16 3dps s SER 1052Cb -0.14 -0.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.95 3dps s SER 1052CO 0.05 0.20 -0.24 0.26 0.98 0.00 0.00 173.24 174.49 3dps s TRP 1053N 0.06 2.25 0.06 5.02 0.52 0.51 -0.56 118.94 126.79 3dps s TRP 1053Ca -0.09 -0.37 0.05 0.00 0.02 0.00 0.00 56.10 55.70 3dps s TRP 1053Cb -0.15 -1.15 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 3dps s TRP 1053CO 0.05 0.43 -0.05 0.50 0.02 0.00 0.00 176.95 177.91 3dps s ARG 1054N -2.49 2.46 0.16 4.98 3.52 0.69 -1.07 118.95 127.21 3dps s ARG 1054Ca 0.18 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 3dps s ARG 1054Cb -0.08 -2.48 -0.00 0.00 -1.56 0.00 0.00 34.95 30.83 3dps s ARG 1054CO 0.08 0.56 0.20 0.00 -0.81 0.00 0.00 175.30 175.33 3dps n ALA 1055N 1.00 -0.02 -3.36 6.12 0.00 -0.06 -0.72 120.51 123.48 3dps n ALA 1055Ca -0.13 -0.79 -0.18 0.00 0.00 0.00 0.00 53.44 52.34 3dps n ALA 1055Cb 0.52 0.64 -0.16 0.00 0.00 0.00 0.00 19.45 20.46 3dps n ALA 1055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3dps s GLU 1056N -2.44 0.52 -0.11 0.00 2.12 0.94 -0.87 118.70 118.87 3dps s GLU 1056Ca 0.15 -0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.39 3dps s GLU 1056Cb -0.00 -0.57 0.03 0.00 0.26 0.00 0.00 34.13 33.84 3dps s GLU 1056CO 0.11 -0.03 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.59 3dps s LEU 1057N 0.58 0.97 -1.15 2.70 2.96 0.33 -0.52 118.68 124.56 3dps s LEU 1057Ca -0.07 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3dps s LEU 1057Cb -0.10 -0.66 0.04 0.00 0.50 0.00 0.00 46.19 45.97 3dps s LEU 1057CO -0.00 -0.17 0.29 0.47 -1.32 0.00 0.00 176.35 175.62 3dps n ASP 1058N 5.03 -3.76 0.00 3.68 8.00 -1.26 -0.86 116.55 127.38 3dps n ASP 1058Ca -0.10 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3dps n ASP 1058Cb 0.50 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 3dps n ASP 1058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dps n GLY 1059N -1.02 0.72 3.48 0.44 0.00 -1.26 -5.04 105.19 102.51 3dps n GLY 1059Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3dps n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dps s LYS 1060N -0.29 2.51 0.21 1.61 1.02 -0.04 -5.10 119.74 119.66 3dps s LYS 1060Ca 0.00 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 3dps s LYS 1060Cb 0.00 -2.39 -0.09 0.00 -0.52 0.00 0.00 37.83 34.83 3dps s LYS 1060CO 0.00 0.63 1.30 0.00 -0.92 0.00 0.00 175.35 176.36 3dps s ALA 1061N -0.74 3.52 0.04 5.17 0.00 -1.26 -0.51 121.76 127.98 3dps s ALA 1061Ca 0.11 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.24 3dps s ALA 1061Cb -0.11 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3dps s ALA 1061CO 0.01 -0.53 -0.14 0.08 0.00 0.00 0.00 175.76 175.17 3dps s VAL 1062N -0.02 1.13 -0.05 0.00 1.01 -0.04 -4.05 120.40 118.38 3dps s VAL 1062Ca 0.56 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3dps s VAL 1062Cb -0.37 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3dps s VAL 1062CO 0.39 -0.00 -0.02 -0.63 0.00 0.00 0.00 175.10 174.84 3dps s ILE 1063N -0.87 4.05 -0.13 2.22 -1.09 -0.66 -0.88 121.20 123.83 3dps s ILE 1063Ca 0.02 -0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 3dps s ILE 1063Cb -0.08 -2.73 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3dps s ILE 1063CO 0.01 0.52 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.34 3dps s VAL 1064N -0.93 2.00 -0.13 2.92 1.01 -0.23 -0.50 120.40 124.54 3dps s VAL 1064Ca 0.15 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 3dps s VAL 1064Cb -0.11 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.55 3dps s VAL 1064CO 0.05 0.54 0.30 0.00 0.00 0.00 0.00 175.10 175.99 3dps s SER 1066N 1.35 6.21 -0.05 0.00 1.04 -0.92 -3.59 113.70 117.75 3dps s SER 1066Ca -0.09 1.74 0.15 0.00 0.48 0.00 0.00 55.95 58.23 3dps s SER 1066Cb -0.10 -2.53 -0.23 0.00 0.10 0.00 0.00 66.02 63.26 3dps s SER 1066CO -0.10 -0.87 0.28 0.35 0.98 0.00 0.00 173.24 173.88 3dps n THR 1067N -1.65 0.22 -2.27 2.02 -2.24 -0.34 -4.56 114.28 105.46 3dps n THR 1067Ca 0.08 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3dps n THR 1067Cb 0.53 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3dps n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dps n GLY 1068N 1.72 -2.14 3.74 3.38 0.00 -0.49 -3.57 105.19 107.83 3dps n GLY 1068Ca -0.07 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 3dps n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dps s ILE 1069N -0.48 5.13 0.00 -0.61 1.01 -1.26 -4.74 121.20 120.25 3dps s ILE 1069Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3dps s ILE 1069Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3dps s ILE 1069CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3dps n GLY 1070N 2.97 0.18 0.33 6.18 0.00 -1.26 -4.37 105.19 109.21 3dps n GLY 1070Ca -0.08 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 3dps n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dps h GLY 1071N 0.00 1.21 0.95 -0.02 0.00 -1.86 -1.54 103.07 101.81 3dps h GLY 1071Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3dps h GLY 1071CO 0.00 0.48 0.15 -2.55 0.00 0.00 0.00 176.54 174.62 3dps h PRO 1072N 1.15 0.39 -0.52 4.80 0.11 -1.93 0.27 132.00 136.26 3dps h PRO 1072Ca 0.30 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3dps h PRO 1072Cb -0.06 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 3dps h PRO 1072CO -0.06 0.35 0.34 1.03 -0.21 0.00 0.00 178.00 179.46 3dps h SER 1073N 0.33 0.60 -0.72 -2.05 0.87 -1.74 -2.84 113.55 108.00 3dps h SER 1073Ca 0.10 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3dps h SER 1073Cb 0.08 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3dps h SER 1073CO -0.01 0.44 0.41 0.74 -0.53 0.00 0.00 176.83 177.87 3dps h THR 1074N 0.71 1.22 -0.68 2.23 2.02 -0.87 -2.28 112.91 115.26 3dps h THR 1074Ca 0.19 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 3dps h THR 1074Cb -0.08 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 3dps h THR 1074CO -0.04 0.24 0.33 0.77 0.37 0.00 0.00 175.52 177.18 3dps h SER 1075N 0.99 0.87 -0.05 4.18 4.64 -0.30 0.35 113.55 124.23 3dps h SER 1075Ca 0.26 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3dps h SER 1075Cb 0.02 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 3dps h SER 1075CO -0.04 0.73 0.02 0.40 -0.87 0.00 0.00 176.83 177.07 3dps h ILE 1076N 0.96 1.11 -0.29 0.95 2.04 -1.24 -0.24 117.51 120.79 3dps h ILE 1076Ca 0.24 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3dps h ILE 1076Cb 0.09 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3dps h ILE 1076CO -0.03 0.09 0.17 0.00 0.00 0.00 0.00 178.15 178.38 3dps h ALA 1077N 0.90 0.37 -0.30 1.87 0.00 -0.89 -1.79 119.26 119.41 3dps h ALA 1077Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3dps h ALA 1077Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dps h ALA 1077CO -0.00 -0.11 0.01 0.28 0.00 0.00 0.00 179.25 179.43 3dps h VAL 1078N 0.36 1.25 -0.46 0.00 2.07 -0.89 -0.63 116.25 117.96 3dps h VAL 1078Ca 0.10 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 3dps h VAL 1078Cb 0.04 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3dps h VAL 1078CO -0.02 0.29 -0.08 1.05 0.02 0.00 0.00 177.57 178.83 3dps h GLU 1079N 0.32 0.81 -0.23 1.57 4.11 -0.96 0.50 114.58 120.71 3dps h GLU 1079Ca 0.09 -0.26 -0.17 0.00 0.07 0.00 0.00 59.36 59.09 3dps h GLU 1079Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3dps h GLU 1079CO 0.01 0.87 -0.51 0.93 0.07 0.00 0.00 179.01 180.38 3dps h GLU 1080N 0.74 0.74 -0.98 1.06 5.08 -1.23 -0.97 114.58 119.03 3dps h GLU 1080Ca 0.13 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3dps h GLU 1080Cb 0.57 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 3dps h GLU 1080CO 0.03 1.12 0.65 -0.07 -1.00 0.00 0.00 179.01 179.74 3dps h LEU 1081N 0.47 1.12 -0.77 1.33 3.38 -0.91 -1.35 115.31 118.58 3dps h LEU 1081Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3dps h LEU 1081Cb 1.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3dps h LEU 1081CO 0.11 0.81 -0.07 0.00 0.09 0.00 0.00 178.44 179.39 3dps h ALA 1082N 1.39 0.96 -0.44 1.53 0.00 -0.76 -1.48 119.26 120.46 3dps h ALA 1082Ca 0.36 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dps h ALA 1082Cb -0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3dps h ALA 1082CO -0.08 0.62 0.29 1.96 0.00 0.00 0.00 179.25 182.05 3dps h GLN 1083N 0.79 0.47 -0.12 0.00 4.20 -0.50 -1.61 115.11 118.33 3dps h GLN 1083Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3dps h GLN 1083Cb 0.57 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3dps h GLN 1083CO 0.03 0.31 0.00 1.28 -0.67 0.00 0.00 178.83 179.79 3dps n LEU 1084N -4.48 1.11 0.00 1.46 4.77 -0.57 -4.89 117.00 114.40 3dps n LEU 1084Ca 0.05 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3dps n LEU 1084Cb 0.15 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3dps n LEU 1084CO 0.35 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3dps n GLY 1085N 1.00 0.69 3.72 -0.72 0.00 -0.60 -4.89 105.19 104.37 3dps n GLY 1085Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3dps n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dps s ILE 1086N -2.00 3.63 0.00 -0.61 -1.09 -0.64 -4.55 121.20 115.93 3dps s ILE 1086Ca 0.00 1.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 3dps s ILE 1086Cb 0.00 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3dps s ILE 1086CO 0.00 0.11 0.00 0.54 -1.23 0.00 0.00 174.94 174.36 3dps n ARG 1087N 3.73 6.65 -4.09 2.79 1.74 -0.49 -4.27 116.66 122.73 3dps n ARG 1087Ca 0.09 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.97 3dps n ARG 1087Cb 0.44 -0.48 -0.17 0.00 -1.02 0.00 0.00 32.46 31.24 3dps n ARG 1087CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dps s THR 1088N -0.95 0.53 -0.11 0.55 2.01 -0.90 -1.23 115.64 115.54 3dps s THR 1088Ca 0.00 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.93 3dps s THR 1088Cb 0.00 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.94 3dps s THR 1088CO 0.00 0.24 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.64 3dps s PHE 1089N 1.13 2.10 -0.25 4.92 0.40 0.44 -0.77 117.98 125.94 3dps s PHE 1089Ca -0.08 -0.99 -0.01 0.00 -0.60 0.00 0.00 56.93 55.25 3dps s PHE 1089Cb -0.14 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 41.93 3dps s PHE 1089CO -0.01 -0.49 -0.08 -0.51 0.70 0.00 0.00 175.22 174.83 3dps s LEU 1090N 0.93 3.19 -0.00 -0.37 1.43 -0.12 -1.60 118.68 122.13 3dps s LEU 1090Ca -0.07 -0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 51.82 3dps s LEU 1090Cb -0.15 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3dps s LEU 1090CO -0.01 -0.14 0.74 -0.60 0.23 0.00 0.00 176.35 176.58 3dps s ARG 1091N 1.28 4.46 -0.05 1.70 6.06 -0.18 -0.49 118.95 131.74 3dps s ARG 1091Ca -0.01 1.00 0.04 0.00 -2.50 0.00 0.00 55.73 54.25 3dps s ARG 1091Cb -0.17 -3.40 0.00 0.00 0.06 0.00 0.00 34.95 31.44 3dps s ARG 1091CO -0.05 0.19 -0.16 -1.50 -2.50 0.00 0.00 175.30 171.28 3dps s ILE 1092N 0.33 1.35 0.32 4.11 -1.16 -1.24 -1.30 121.20 123.61 3dps s ILE 1092Ca 0.39 -0.66 -0.04 0.00 -0.51 0.00 0.00 60.65 59.82 3dps s ILE 1092Cb -0.19 -1.17 0.00 0.00 0.61 0.00 0.00 42.46 41.70 3dps s ILE 1092CO 0.21 0.39 0.46 -0.83 -2.81 0.00 0.00 174.94 172.37 3dps s GLY 1093N 0.17 1.30 0.10 1.50 0.00 -0.70 -4.19 107.32 105.50 3dps s GLY 1093Ca -0.06 -1.41 0.10 0.00 0.00 0.00 0.00 44.72 43.35 3dps s GLY 1093CO 0.03 -0.94 -0.25 -0.51 0.00 0.00 0.00 173.10 171.42 3dps s THR 1094N -3.26 2.04 0.17 0.90 -4.23 -1.26 -1.29 115.64 108.71 3dps s THR 1094Ca 0.29 -1.57 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 3dps s THR 1094Cb -0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.05 3dps s THR 1094CO 0.18 0.13 0.36 0.28 -0.54 0.00 0.00 174.62 175.02 3dps s THR 1095N -1.00 0.05 0.40 3.99 -1.32 0.09 -4.88 115.64 112.97 3dps s THR 1095Ca 0.11 -1.21 0.02 0.00 -1.21 0.00 0.00 61.69 59.40 3dps s THR 1095Cb -0.10 -1.77 -0.01 0.00 -1.51 0.00 0.00 72.50 69.12 3dps s THR 1095CO 0.04 -0.24 0.59 -0.83 -2.21 0.00 0.00 174.62 171.97 3dps s GLY 1096N -2.94 1.53 0.30 6.08 0.00 -1.26 -0.73 107.32 110.29 3dps s GLY 1096Ca 0.15 -1.15 0.10 0.00 0.00 0.00 0.00 44.72 43.81 3dps s GLY 1096CO -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 173.10 172.05 3dps s ALA 1097N -2.40 3.15 0.00 3.20 0.00 -0.67 -4.20 121.76 120.84 3dps s ALA 1097Ca 0.46 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3dps s ALA 1097Cb -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3dps s ALA 1097CO 0.35 0.19 0.87 0.44 0.00 0.00 0.00 175.76 177.61 3dps n ILE 1098N -0.90 0.75 -4.38 0.00 -5.35 -0.45 -3.49 119.36 105.55 3dps n ILE 1098Ca -0.05 -0.78 -0.34 0.00 -0.27 0.00 0.00 62.75 61.31 3dps n ILE 1098Cb 0.60 0.64 -0.12 0.00 -1.74 0.00 0.00 39.64 39.03 3dps n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3dps s GLN 1099N -0.75 3.59 0.49 6.28 -1.52 -1.25 -4.87 119.66 121.63 3dps s GLN 1099Ca 0.00 -0.49 0.18 0.00 -1.95 0.00 0.00 55.36 53.10 3dps s GLN 1099Cb 0.00 -2.91 1.22 0.00 -0.22 0.00 0.00 33.01 31.10 3dps s GLN 1099CO 0.00 0.31 2.07 -1.35 -0.25 0.00 0.00 175.29 176.07 3dps h PRO 1100N 6.48 0.00 -0.00 2.91 0.11 -1.94 -2.55 132.00 137.00 3dps h PRO 1100Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3dps h PRO 1100Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dps h PRO 1100CO 0.62 0.11 -0.09 -2.39 -0.21 0.00 0.00 178.00 176.04 3dps n HIS 1101N -4.24 0.00 -3.23 0.65 1.44 -1.26 -4.74 115.22 103.85 3dps n HIS 1101Ca -0.03 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.29 3dps n HIS 1101Cb 0.19 -0.28 -0.06 0.00 0.12 0.00 0.00 29.99 29.95 3dps n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3dps s ILE 1102N -2.65 5.10 0.13 0.61 1.01 -0.96 -5.06 121.20 119.38 3dps s ILE 1102Ca 0.24 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.95 3dps s ILE 1102Cb 0.20 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3dps s ILE 1102CO 0.50 0.19 0.10 0.20 0.00 0.00 0.00 174.94 175.93 3dps s ASN 1103N 1.06 5.44 0.23 3.58 0.01 -1.26 -4.89 114.94 119.11 3dps s ASN 1103Ca 0.26 -0.11 -0.32 0.00 -0.71 0.00 0.00 52.86 51.98 3dps s ASN 1103Cb -0.16 -1.41 -0.13 0.00 0.41 0.00 0.00 41.25 39.96 3dps s ASN 1103CO 0.10 0.12 1.48 0.52 -1.51 0.00 0.00 177.10 177.80 3dps n VAL 1104N 0.03 0.73 0.00 1.60 0.31 -1.26 -1.06 118.33 118.68 3dps n VAL 1104Ca -0.09 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3dps n VAL 1104Cb 0.53 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3dps n VAL 1104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dps n GLY 1105N 2.47 2.87 3.74 2.92 0.00 -0.11 -5.02 105.19 112.06 3dps n GLY 1105Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3dps n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dps s ASP 1106N -1.19 3.92 -0.07 1.61 -0.00 -0.22 -4.74 116.67 115.99 3dps s ASP 1106Ca 0.00 1.58 0.04 0.00 -0.00 0.00 0.00 52.55 54.17 3dps s ASP 1106Cb 0.00 -2.27 -0.02 0.00 -0.00 0.00 0.00 42.92 40.63 3dps s ASP 1106CO 0.00 -2.37 -0.18 -0.69 -0.00 0.00 0.00 175.17 171.94 3dps s VAL 1107N -2.95 2.74 -0.14 -1.27 1.01 -0.00 -1.22 120.40 118.57 3dps s VAL 1107Ca 0.62 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 3dps s VAL 1107Cb -0.17 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3dps s VAL 1107CO 0.56 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 175.41 3dps s LEU 1108N -0.36 3.12 -0.14 3.92 1.43 0.41 -0.85 118.68 126.21 3dps s LEU 1108Ca 0.03 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3dps s LEU 1108Cb -0.12 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3dps s LEU 1108CO 0.02 0.18 -0.15 -0.69 0.23 0.00 0.00 176.35 175.95 3dps s VAL 1109N 0.27 2.77 -0.25 -1.59 1.01 -0.01 -1.28 120.40 121.31 3dps s VAL 1109Ca -0.05 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 3dps s VAL 1109Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3dps s VAL 1109CO 0.04 0.52 0.29 -0.89 0.00 0.00 0.00 175.10 175.05 3dps s THR 1110N 0.60 5.25 0.04 3.92 2.01 -0.84 -1.77 115.64 124.86 3dps s THR 1110Ca -0.09 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.33 3dps s THR 1110Cb -0.16 -3.62 -0.26 0.00 0.01 0.00 0.00 72.50 68.48 3dps s THR 1110CO 0.03 0.24 1.00 0.71 -0.69 0.00 0.00 174.62 175.91 3dps h THR 1111N 5.24 1.33 -2.41 -0.82 1.35 -1.44 -3.41 112.91 112.76 3dps h THR 1111Ca -0.35 -3.00 0.11 0.00 -0.55 0.00 0.00 66.41 62.62 3dps h THR 1111Cb 1.17 2.78 -0.13 0.00 -1.73 0.00 0.00 68.15 70.25 3dps h THR 1111CO 0.64 0.84 0.45 0.00 -0.25 0.00 0.00 175.52 177.19 3dps s ALA 1112N -2.65 -1.73 0.08 6.62 0.00 -1.26 -0.84 121.76 121.99 3dps s ALA 1112Ca -0.05 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.67 3dps s ALA 1112Cb 0.08 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3dps s ALA 1112CO 0.85 -0.80 -0.22 -1.12 0.00 0.00 0.00 175.76 174.47 3dps s SER 1113N -2.65 2.61 0.02 0.00 0.01 -0.11 -1.85 113.70 111.73 3dps s SER 1113Ca 0.06 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 3dps s SER 1113Cb -0.01 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 3dps s SER 1113CO -0.06 0.11 1.15 -0.69 0.41 0.00 0.00 173.24 174.16 3dps s VAL 1114N -1.01 4.26 -1.17 3.43 1.01 0.86 -4.30 120.40 123.47 3dps s VAL 1114Ca 0.08 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 3dps s VAL 1114Cb -0.10 -4.04 0.19 0.00 0.00 0.00 0.00 36.38 32.44 3dps s VAL 1114CO 0.03 0.09 1.34 -0.13 0.00 0.00 0.00 175.10 176.44 3dps s ARG 1115N 1.34 4.10 -0.58 2.72 0.52 -1.26 -1.44 118.95 124.35 3dps s ARG 1115Ca 0.57 -2.70 -0.01 0.00 -0.52 0.00 0.00 55.73 53.06 3dps s ARG 1115Cb -0.26 -4.93 0.41 0.00 0.52 0.00 0.00 34.95 30.68 3dps s ARG 1115CO 0.27 -1.64 2.02 1.28 0.02 0.00 0.00 175.30 177.25 3dps n LEU 1116N 4.98 7.36 0.00 2.53 4.77 -0.05 -4.92 117.00 131.67 3dps n LEU 1116Ca 0.33 -4.02 -0.15 0.00 -0.03 0.00 0.00 56.01 52.14 3dps n LEU 1116Cb 0.42 -0.99 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 3dps n LEU 1116CO 0.58 1.39 -0.10 -0.90 -1.33 0.00 0.00 177.39 177.03 3dps n ASP 1117N -0.65 1.07 -0.03 -1.43 3.85 -1.23 -1.32 116.55 116.81 3dps n ASP 1117Ca 0.55 -2.31 -0.04 0.00 -0.71 0.00 0.00 54.79 52.29 3dps n ASP 1117Cb 0.69 0.63 -0.04 0.00 -1.35 0.00 0.00 41.12 41.06 3dps n ASP 1117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dps n GLY 1118N 0.43 -0.16 0.29 6.12 0.00 -1.26 -4.76 105.19 105.85 3dps n GLY 1118Ca -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.94 3dps n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dps h ALA 1119N 0.09 1.46 -0.62 4.61 0.00 -1.98 -1.80 119.26 121.02 3dps h ALA 1119Ca -0.15 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.73 3dps h ALA 1119Cb 1.27 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3dps h ALA 1119CO -0.01 0.40 0.42 0.66 0.00 0.00 0.00 179.25 180.72 3dps h SER 1120N 0.55 0.34 0.48 0.00 4.64 -1.85 -1.52 113.55 116.19 3dps h SER 1120Ca 0.13 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3dps h SER 1120Cb 0.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3dps h SER 1120CO -0.01 0.19 0.00 -0.07 -0.87 0.00 0.00 176.83 176.08 3dps h LEU 1121N 0.37 0.00 -0.10 5.97 3.38 -1.48 -0.12 115.31 123.34 3dps h LEU 1121Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dps h LEU 1121Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3dps h LEU 1121CO -0.08 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.86 3dps n HIS 1122N -2.73 0.71 -0.06 1.13 8.25 -0.57 -3.91 115.22 118.03 3dps n HIS 1122Ca -0.00 0.22 -0.06 0.00 -0.26 0.00 0.00 57.72 57.61 3dps n HIS 1122Cb 0.17 -0.86 -0.10 0.00 1.12 0.00 0.00 29.99 30.32 3dps n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3dps n PHE 1123N -2.09 0.00 -3.60 4.41 3.01 -0.10 -5.03 117.46 114.04 3dps n PHE 1123Ca 0.05 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.35 3dps n PHE 1123Cb 0.38 -0.65 -0.07 0.00 -0.01 0.00 0.00 39.48 39.13 3dps n PHE 1123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dps s ALA 1124N -2.33 -1.52 0.86 4.37 0.00 -0.90 -4.98 121.76 117.26 3dps s ALA 1124Ca -0.07 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 3dps s ALA 1124Cb 0.04 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 23.03 3dps s ALA 1124CO 0.54 -0.33 1.17 -2.14 0.00 0.00 0.00 175.76 175.00 3dps s PRO 1125N -0.82 1.33 0.55 0.00 0.02 -1.26 -4.13 135.00 130.68 3dps s PRO 1125Ca -0.09 1.61 0.25 0.00 0.02 0.00 0.00 61.00 62.79 3dps s PRO 1125Cb -0.02 -1.76 1.45 0.00 0.02 0.00 0.00 34.50 34.19 3dps s PRO 1125CO 0.07 -2.41 2.03 1.98 -0.33 0.00 0.00 177.00 178.33 3dps h MET 1126N -1.46 0.00 0.00 5.54 4.05 -1.94 -1.02 114.93 120.10 3dps h MET 1126Ca -0.44 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.97 3dps h MET 1126Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3dps h MET 1126CO 0.44 0.00 -0.06 0.93 0.23 0.00 0.00 176.91 178.45 3dps h GLU 1127N 0.00 0.00 -6.72 0.39 3.07 -2.04 -3.43 114.58 105.86 3dps h GLU 1127Ca 0.18 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.54 3dps h GLU 1127Cb 0.78 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3dps h GLU 1127CO -0.00 0.06 0.43 0.12 -1.40 0.00 0.00 179.01 178.21 3dps s PHE 1128N -4.19 3.73 0.15 4.33 2.19 -0.39 -5.01 117.98 118.79 3dps s PHE 1128Ca -0.03 1.75 -0.28 0.00 0.33 0.00 0.00 56.93 58.70 3dps s PHE 1128Cb 0.13 -3.17 -0.07 0.00 -1.31 0.00 0.00 43.02 38.60 3dps s PHE 1128CO 0.53 -0.18 0.86 -1.25 1.83 0.00 0.00 175.22 177.01 3dps s PRO 1129N -0.87 4.66 -1.30 10.12 0.04 -1.26 -4.94 135.00 141.45 3dps s PRO 1129Ca 0.45 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 3dps s PRO 1129Cb -0.28 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3dps s PRO 1129CO 0.35 0.41 2.10 0.00 0.04 0.00 0.00 177.00 179.90 3dps n ALA 1130N 2.12 4.75 -2.75 8.56 0.00 -1.26 -4.74 120.51 127.19 3dps n ALA 1130Ca -0.02 -3.74 -0.34 0.00 0.00 0.00 0.00 53.44 49.34 3dps n ALA 1130Cb 0.49 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 16.29 3dps n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dps s VAL 1131N 3.94 4.62 0.48 0.00 0.11 -1.26 -0.93 120.40 127.35 3dps s VAL 1131Ca 0.51 -0.26 -0.19 0.00 -2.93 0.00 0.00 61.98 59.11 3dps s VAL 1131Cb 0.12 -3.02 -0.09 0.00 -1.53 0.00 0.00 36.38 31.86 3dps s VAL 1131CO -0.02 0.51 0.98 0.00 -3.33 0.00 0.00 175.10 173.23 3dps s ALA 1132N -1.02 3.01 0.30 1.54 0.00 -0.02 -4.66 121.76 120.91 3dps s ALA 1132Ca 0.17 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 3dps s ALA 1132Cb -0.12 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 3dps s ALA 1132CO 0.07 -0.10 1.40 0.34 0.00 0.00 0.00 175.76 177.47 3dps s ASP 1133N -2.51 6.65 0.18 0.00 -1.08 0.35 -4.94 116.67 115.32 3dps s ASP 1133Ca 0.62 2.74 -0.12 0.00 -0.52 0.00 0.00 52.55 55.26 3dps s ASP 1133Cb -0.11 -2.64 0.10 0.00 -1.46 0.00 0.00 42.92 38.81 3dps s ASP 1133CO 0.22 -0.67 1.83 0.15 0.52 0.00 0.00 175.17 177.22 3dps h PHE 1134N 4.15 0.80 -0.73 -5.34 3.57 -1.96 -1.35 116.94 116.08 3dps h PHE 1134Ca -0.48 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 60.97 3dps h PHE 1134Cb 1.22 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3dps h PHE 1134CO 0.58 0.54 0.25 0.00 -2.23 0.00 0.00 178.31 177.44 3dps h ALA 1135N 1.20 1.06 -0.20 2.41 0.00 -1.95 0.07 119.26 121.84 3dps h ALA 1135Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3dps h ALA 1135Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3dps h ALA 1135CO -0.04 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 3dps h THR 1137N 0.11 1.17 -0.19 0.00 2.02 -1.10 -0.70 112.91 114.23 3dps h THR 1137Ca 0.05 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.80 3dps h THR 1137Cb 0.53 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3dps h THR 1137CO 0.02 0.18 0.09 0.74 0.37 0.00 0.00 175.52 176.93 3dps h THR 1138N 0.66 1.00 -0.86 3.16 2.02 -0.88 0.05 112.91 118.06 3dps h THR 1138Ca 0.17 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.35 3dps h THR 1138Cb 0.05 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 3dps h THR 1138CO -0.03 0.04 0.53 0.00 0.37 0.00 0.00 175.52 176.43 3dps h ALA 1139N 1.09 1.19 -0.28 6.16 0.00 -0.77 0.32 119.26 126.98 3dps h ALA 1139Ca 0.07 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3dps h ALA 1139Cb 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3dps h ALA 1139CO -0.05 0.25 -0.31 -0.07 0.00 0.00 0.00 179.25 179.08 3dps h LEU 1140N 0.94 0.75 -0.71 0.00 3.38 -0.76 -1.23 115.31 117.68 3dps h LEU 1140Ca 0.38 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3dps h LEU 1140Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3dps h LEU 1140CO -0.19 1.08 0.25 0.58 0.09 0.00 0.00 178.44 180.25 3dps h VAL 1141N 0.43 1.25 -0.26 1.22 2.07 -0.69 -1.48 116.25 118.80 3dps h VAL 1141Ca 0.04 -0.84 -0.15 0.00 0.82 0.00 0.00 66.70 66.57 3dps h VAL 1141Cb 0.88 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3dps h VAL 1141CO 0.07 0.33 -0.45 -0.33 0.02 0.00 0.00 177.57 177.21 3dps h GLU 1142N 1.03 0.67 -0.57 1.57 5.08 -0.88 -1.95 114.58 119.52 3dps h GLU 1142Ca 0.23 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3dps h GLU 1142Cb 0.26 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3dps h GLU 1142CO -0.01 0.98 0.08 0.00 -1.00 0.00 0.00 179.01 179.06 3dps h ALA 1143N 0.96 1.07 0.04 3.43 0.00 -1.09 -0.67 119.26 123.00 3dps h ALA 1143Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dps h ALA 1143Cb 0.99 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3dps h ALA 1143CO 0.09 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.92 3dps h ALA 1144N 1.22 -0.06 -0.94 0.00 0.00 -1.14 -2.83 119.26 115.50 3dps h ALA 1144Ca 0.18 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3dps h ALA 1144Cb 0.40 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 3dps h ALA 1144CO 0.01 -0.42 0.56 -0.22 0.00 0.00 0.00 179.25 179.18 3dps h LYS 1145N -0.29 0.81 -0.45 0.00 3.64 -1.23 -2.13 116.57 116.93 3dps h LYS 1145Ca -0.01 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3dps h LYS 1145Cb 0.26 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3dps h LYS 1145CO 0.01 0.54 0.30 0.66 -2.27 0.00 0.00 179.45 178.69 3dps h SER 1146N 0.84 0.47 -0.45 4.20 4.64 -0.88 -1.55 113.55 120.82 3dps h SER 1146Ca 0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3dps h SER 1146Cb 0.59 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3dps h SER 1146CO -0.31 0.33 0.00 2.30 -0.87 0.00 0.00 176.83 178.28 3dps n ILE 1147N -4.47 0.59 -1.06 0.95 -5.35 -0.90 -4.95 119.36 104.17 3dps n ILE 1147Ca 0.04 -0.73 -0.02 0.00 -0.27 0.00 0.00 62.75 61.77 3dps n ILE 1147Cb 0.11 0.71 -0.01 0.00 -1.74 0.00 0.00 39.64 38.71 3dps n ILE 1147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dps n GLY 1148N 1.47 0.50 3.78 3.28 0.00 -0.59 -5.02 105.19 108.61 3dps n GLY 1148Ca 0.20 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 3dps n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dps s ALA 1149N -2.06 3.00 -0.33 4.61 0.00 -0.85 -4.99 121.76 121.14 3dps s ALA 1149Ca 0.00 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 3dps s ALA 1149Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3dps s ALA 1149CO 0.00 -0.50 0.96 0.99 0.00 0.00 0.00 175.76 177.21 3dps s THR 1150N -1.61 4.60 -0.05 0.00 2.01 -1.26 -4.65 115.64 114.67 3dps s THR 1150Ca 0.62 1.43 0.05 0.00 0.31 0.00 0.00 61.69 64.11 3dps s THR 1150Cb -0.26 -4.33 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 3dps s THR 1150CO 0.32 -0.45 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.69 3dps s THR 1151N 3.44 2.34 -0.08 -0.82 2.01 -1.26 -0.82 115.64 120.45 3dps s THR 1151Ca 0.40 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.47 3dps s THR 1151Cb -0.12 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 3dps s THR 1151CO 0.16 0.57 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.43 3dps s HIS 1152N -0.32 2.53 -0.14 4.92 3.76 -0.03 -4.97 115.29 121.03 3dps s HIS 1152Ca 0.02 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.10 3dps s HIS 1152Cb -0.13 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.91 3dps s HIS 1152CO 0.02 -0.29 -0.18 0.08 -0.85 0.00 0.00 174.74 173.52 3dps s VAL 1153N 0.08 1.83 -2.91 -0.90 1.01 -1.26 -0.83 120.40 117.42 3dps s VAL 1153Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3dps s VAL 1153Cb -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3dps s VAL 1153CO 0.06 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3dps n GLY 1154N 4.36 -0.60 3.82 4.51 0.00 -0.73 -4.95 105.19 111.60 3dps n GLY 1154Ca -0.19 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 3dps n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dps s VAL 1155N -3.79 4.92 0.07 1.61 1.01 -1.26 -1.03 120.40 121.93 3dps s VAL 1155Ca 0.00 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.06 3dps s VAL 1155Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3dps s VAL 1155CO 0.00 0.55 -0.19 -0.89 0.00 0.00 0.00 175.10 174.58 3dps s THR 1156N -0.98 2.77 -0.26 3.92 2.01 -0.77 -0.72 115.64 121.61 3dps s THR 1156Ca 0.26 -1.31 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 3dps s THR 1156Cb -0.18 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 3dps s THR 1156CO 0.15 0.25 0.20 0.00 -0.69 0.00 0.00 174.62 174.54 3dps s ALA 1157N -1.00 3.57 -0.33 7.40 0.00 -0.08 -0.10 121.76 131.22 3dps s ALA 1157Ca 0.16 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 3dps s ALA 1157Cb -0.10 -2.44 0.04 0.00 0.00 0.00 0.00 23.12 20.62 3dps s ALA 1157CO 0.07 -0.39 0.09 0.45 0.00 0.00 0.00 175.76 175.97 3dps s SER 1158N 1.41 5.25 -0.02 0.00 0.15 -0.52 -1.65 113.70 118.33 3dps s SER 1158Ca 0.09 -1.18 0.03 0.00 0.70 0.00 0.00 55.95 55.59 3dps s SER 1158Cb -0.15 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 3dps s SER 1158CO 0.08 -0.32 -0.09 -0.55 1.20 0.00 0.00 173.24 173.56 3dps s SER 1159N 1.40 4.49 0.00 5.45 0.15 0.30 -0.87 113.70 124.61 3dps s SER 1159Ca -0.02 -0.15 0.22 0.00 0.70 0.00 0.00 55.95 56.70 3dps s SER 1159Cb -0.20 -1.03 1.07 0.00 -1.71 0.00 0.00 66.02 64.15 3dps s SER 1159CO 0.02 0.31 1.71 0.47 1.20 0.00 0.00 173.24 176.95 3dps n ASP 1160N 1.80 0.00 -4.20 5.45 10.43 -0.43 -4.31 116.55 125.28 3dps n ASP 1160Ca -0.16 0.08 -0.16 0.00 2.57 0.00 0.00 54.79 57.12 3dps n ASP 1160Cb 0.53 -0.33 -0.11 0.00 1.84 0.00 0.00 41.12 43.05 3dps n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3dps s THR 1161N -2.66 1.07 0.00 -3.53 -4.23 -1.26 -5.02 115.64 100.02 3dps s THR 1161Ca 0.19 -1.68 0.11 0.00 -1.18 0.00 0.00 61.69 59.13 3dps s THR 1161Cb 0.15 -1.43 -0.15 0.00 1.34 0.00 0.00 72.50 72.41 3dps s THR 1161CO 0.35 -0.52 1.14 0.15 -0.54 0.00 0.00 174.62 175.21 3dps h PHE 1162N 3.53 0.00 0.00 3.99 3.04 -1.97 -3.38 116.94 122.14 3dps h PHE 1162Ca -0.38 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.57 3dps h PHE 1162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 3dps h PHE 1162CO 0.64 0.85 0.00 0.66 -2.02 0.00 0.00 178.31 178.44 3dps n TYR 1163N -3.22 0.00 0.04 0.41 4.02 -1.26 -4.30 117.16 112.85 3dps n TYR 1163Ca -0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.84 3dps n TYR 1163Cb 0.91 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 40.51 3dps n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3dps h PRO 1164N 0.00 0.41 0.00 -0.72 0.13 -1.87 -0.79 132.00 129.16 3dps h PRO 1164Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3dps h PRO 1164Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 3dps h PRO 1164CO 0.00 0.56 0.00 0.78 -0.23 0.00 0.00 178.00 179.11 3dps h GLY 1165N 0.91 0.00 -2.45 1.56 0.00 -1.86 -0.41 103.07 100.82 3dps h GLY 1165Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3dps h GLY 1165CO 0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 3dps n GLN 1166N -2.51 3.70 -4.16 4.80 6.02 -0.80 -4.94 117.38 119.50 3dps n GLN 1166Ca 0.02 -2.89 -0.32 0.00 -0.01 0.00 0.00 57.00 53.79 3dps n GLN 1166Cb 0.25 -1.94 -0.06 0.00 1.02 0.00 0.00 30.24 29.51 3dps n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3dps n GLU 1167N 0.22 -1.43 -3.25 -1.09 2.13 -0.16 -4.92 120.64 112.13 3dps n GLU 1167Ca 0.23 0.18 -0.38 0.00 0.66 0.00 0.00 57.16 57.85 3dps n GLU 1167Cb 0.95 -3.68 -0.06 0.00 0.27 0.00 0.00 31.44 28.93 3dps n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3dps s ARG 1168N -7.13 4.30 -0.00 5.31 0.52 -0.37 -4.97 118.95 116.62 3dps s ARG 1168Ca 0.10 0.61 0.15 0.00 -0.52 0.00 0.00 55.73 56.07 3dps s ARG 1168Cb -0.05 -3.38 -0.16 0.00 0.52 0.00 0.00 34.95 31.88 3dps s ARG 1168CO 0.96 0.28 0.61 0.66 0.02 0.00 0.00 175.30 177.83 3dps n TYR 1169N 3.13 0.00 -1.75 -0.53 4.01 -1.26 -4.50 117.16 116.26 3dps n TYR 1169Ca -0.07 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.26 3dps n TYR 1169Cb 0.51 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.51 3dps n TYR 1169CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3dps n ASP 1170N -1.39 5.96 -4.06 7.72 8.00 -1.26 -4.16 116.55 127.36 3dps n ASP 1170Ca 0.02 -2.85 -0.22 0.00 0.71 0.00 0.00 54.79 52.45 3dps n ASP 1170Cb 0.24 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 39.69 3dps n ASP 1170CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dps s THR 1171N 1.89 0.53 0.14 -3.53 -4.23 -1.26 -5.03 115.64 104.15 3dps s THR 1171Ca 0.53 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.84 3dps s THR 1171Cb 0.15 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.53 3dps s THR 1171CO -0.06 0.00 1.68 0.22 -0.54 0.00 0.00 174.62 175.92 3dps h TYR 1172N 1.99 -0.25 0.00 3.99 3.20 -1.99 -3.18 116.97 120.72 3dps h TYR 1172Ca -0.35 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.38 3dps h TYR 1172Cb 1.26 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.65 3dps h TYR 1172CO 1.26 -0.16 -1.14 0.66 -1.64 0.00 0.00 178.16 177.14 3dps h SER 1173N -0.08 0.00 -0.25 -2.11 4.64 -1.97 -3.47 113.55 110.31 3dps h SER 1173Ca 0.12 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 3dps h SER 1173Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3dps h SER 1173CO -0.27 0.64 -0.10 0.61 -0.87 0.00 0.00 176.83 176.84 3dps n GLY 1174N 1.36 0.66 3.53 -0.77 0.00 -1.21 -4.99 105.19 103.77 3dps n GLY 1174Ca -0.06 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 3dps n GLY 1174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dps s ARG 1175N -2.01 2.51 -0.08 1.61 3.52 -1.26 -4.92 118.95 118.31 3dps s ARG 1175Ca 0.00 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 54.93 3dps s ARG 1175Cb 0.00 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 3dps s ARG 1175CO 0.00 0.62 -0.20 0.08 -0.81 0.00 0.00 175.30 174.99 3dps s VAL 1176N -0.84 1.73 0.70 7.11 1.01 -1.26 -4.92 120.40 123.92 3dps s VAL 1176Ca 0.13 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3dps s VAL 1176Cb -0.11 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.79 3dps s VAL 1176CO 0.03 0.49 1.27 0.54 0.00 0.00 0.00 175.10 177.42 3dps s VAL 1177N 0.39 2.04 0.26 2.92 0.11 -1.26 -4.54 120.40 120.32 3dps s VAL 1177Ca -0.16 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 58.85 3dps s VAL 1177Cb -0.17 -2.81 0.32 0.00 -1.53 0.00 0.00 36.38 32.19 3dps s VAL 1177CO 0.07 -0.01 1.62 -0.09 -3.33 0.00 0.00 175.10 173.35 3dps h ARG 1178N 0.07 0.07 -1.08 1.54 2.43 -2.00 0.71 114.38 116.11 3dps h ARG 1178Ca -0.49 -0.00 0.31 0.00 -0.81 0.00 0.00 59.98 58.98 3dps h ARG 1178Cb 1.32 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.74 3dps h ARG 1178CO 0.51 0.05 0.67 -0.09 -1.51 0.00 0.00 179.97 179.60 3dps h ARG 1179N 0.07 0.33 -0.01 0.20 2.43 -2.02 -2.01 114.38 113.38 3dps h ARG 1179Ca 0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3dps h ARG 1179Cb 0.80 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3dps h ARG 1179CO -0.74 0.22 -0.27 1.19 -1.51 0.00 0.00 179.97 178.86 3dps n PHE 1180N -4.77 0.00 -1.90 2.20 3.01 0.19 -4.77 117.46 111.42 3dps n PHE 1180Ca 0.29 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.33 3dps n PHE 1180Cb 0.99 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.43 3dps n PHE 1180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3dps s LYS 1181N -1.69 4.19 0.00 -1.08 1.02 -0.76 -1.77 119.74 119.64 3dps s LYS 1181Ca 0.12 2.37 0.00 0.00 0.02 0.00 0.00 55.97 58.49 3dps s LYS 1181Cb 0.12 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3dps s LYS 1181CO 0.34 -0.74 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 3dps n GLY 1182N 4.02 0.41 0.21 -3.33 0.00 -1.26 -4.92 105.19 100.31 3dps n GLY 1182Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 3dps n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dps h SER 1183N 0.00 0.84 -0.44 1.61 4.64 -1.65 -3.00 113.55 115.56 3dps h SER 1183Ca 0.00 -0.57 0.02 0.00 -0.47 0.00 0.00 61.79 60.77 3dps h SER 1183Cb 0.24 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 3dps h SER 1183CO 0.00 1.36 0.26 -0.03 -0.87 0.00 0.00 176.83 177.55 3dps h MET 1184N 0.47 0.51 -0.52 4.77 -1.53 -1.92 0.25 114.93 116.96 3dps h MET 1184Ca -0.06 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.15 3dps h MET 1184Cb 1.43 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 32.34 3dps h MET 1184CO 0.16 0.34 0.26 1.49 0.14 0.00 0.00 176.91 179.29 3dps h GLU 1185N 0.53 0.72 -0.21 0.39 4.81 -1.96 0.62 114.58 119.48 3dps h GLU 1185Ca 0.18 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3dps h GLU 1185Cb 0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3dps h GLU 1185CO -0.08 0.55 -0.02 0.93 -0.73 0.00 0.00 179.01 179.66 3dps h GLU 1186N 0.72 0.38 -0.64 1.92 5.08 -1.22 -1.26 114.58 119.55 3dps h GLU 1186Ca 0.18 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3dps h GLU 1186Cb 0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3dps h GLU 1186CO -0.03 0.60 0.18 -1.49 -1.00 0.00 0.00 179.01 177.27 3dps h TRP 1187N 0.13 1.02 -0.35 4.33 -0.00 -0.47 -1.82 115.95 118.78 3dps h TRP 1187Ca 0.06 -0.10 0.01 0.00 -0.00 0.00 0.00 58.89 58.86 3dps h TRP 1187Cb 0.44 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 3dps h TRP 1187CO 0.04 0.83 0.22 1.96 -0.00 0.00 0.00 178.44 181.49 3dps h GLN 1188N 0.95 0.44 0.00 0.49 4.20 -0.78 -1.31 115.11 119.11 3dps h GLN 1188Ca 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3dps h GLN 1188Cb 0.30 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 3dps h GLN 1188CO -0.01 0.29 -0.12 0.00 -0.67 0.00 0.00 178.83 178.33 3dps h ALA 1189N 1.14 1.39 -0.08 3.87 0.00 -0.87 -1.46 119.26 123.24 3dps h ALA 1189Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dps h ALA 1189Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dps h ALA 1189CO -0.04 0.14 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 3dps n MET 1190N -3.79 1.59 -0.78 0.00 2.81 -0.72 -4.92 117.12 111.31 3dps n MET 1190Ca -0.02 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 3dps n MET 1190Cb 0.22 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 3dps n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dps n GLY 1191N 1.11 0.55 3.74 3.03 0.00 -0.55 -5.02 105.19 108.05 3dps n GLY 1191Ca 0.18 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3dps n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dps s VAL 1192N -2.00 2.98 0.04 1.61 1.01 -0.56 -4.54 120.40 118.95 3dps s VAL 1192Ca 0.00 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 3dps s VAL 1192Cb 0.00 -3.53 -0.32 0.00 0.00 0.00 0.00 36.38 32.53 3dps s VAL 1192CO 0.00 0.13 1.01 0.24 0.00 0.00 0.00 175.10 176.48 3dps h MET 1193N 5.13 0.41 -2.04 2.72 0.00 -1.25 -3.42 114.93 116.48 3dps h MET 1193Ca -0.45 -0.70 0.21 0.00 0.00 0.00 0.00 59.70 58.76 3dps h MET 1193Cb 1.22 0.26 -0.11 0.00 0.00 0.00 0.00 31.60 32.97 3dps h MET 1193CO 0.77 1.33 0.60 0.54 0.00 0.00 0.00 176.91 180.14 3dps s ASN 1194N -7.36 -0.17 0.04 1.22 4.22 -1.26 -1.34 114.94 110.30 3dps s ASN 1194Ca -0.08 -0.26 0.04 0.00 -2.14 0.00 0.00 52.86 50.42 3dps s ASN 1194Cb 0.05 0.37 -0.04 0.00 1.28 0.00 0.00 41.25 42.92 3dps s ASN 1194CO 0.91 -0.67 -0.03 -0.31 -2.04 0.00 0.00 177.10 174.96 3dps s TYR 1195N -2.99 2.95 0.00 1.54 2.02 -1.26 -0.90 117.35 118.71 3dps s TYR 1195Ca 0.12 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 3dps s TYR 1195Cb 0.00 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 3dps s TYR 1195CO -0.01 0.44 0.00 -0.85 -1.57 0.00 0.00 175.55 173.55 3dps n GLU 1196N 1.08 0.00 0.00 -0.62 -0.00 -0.66 -4.57 120.64 115.88 3dps n GLU 1196Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.03 3dps n GLU 1196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 3dps n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3dps n MET 1197N 0.00 -0.37 0.00 3.44 2.81 -1.26 -0.54 117.12 121.20 3dps n MET 1197Ca 0.00 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 3dps n MET 1197Cb 0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 3dps n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3dps n GLU 1198N -0.01 1.67 0.10 0.03 4.71 -1.26 -3.29 120.64 122.58 3dps n GLU 1198Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 3dps n GLU 1198Cb 0.15 -0.89 0.16 0.00 -1.01 0.00 0.00 31.44 29.84 3dps n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3dps h SER 1199N 0.00 0.19 -0.65 1.62 4.64 -1.94 -2.03 113.55 115.37 3dps h SER 1199Ca 0.00 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3dps h SER 1199Cb 0.16 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 3dps h SER 1199CO 0.00 0.72 0.40 0.00 -0.87 0.00 0.00 176.83 177.08 3dps h ALA 1200N 1.28 0.85 0.24 5.18 0.00 -1.87 0.22 119.26 125.17 3dps h ALA 1200Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dps h ALA 1200Cb 1.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3dps h ALA 1200CO 0.08 0.15 -0.12 1.15 0.00 0.00 0.00 179.25 180.51 3dps h THR 1201N 0.78 0.80 -0.29 0.00 2.02 -1.86 -1.90 112.91 112.46 3dps h THR 1201Ca 0.27 -0.68 0.06 0.00 0.77 0.00 0.00 66.41 66.83 3dps h THR 1201Cb 0.04 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.56 3dps h THR 1201CO -0.11 0.14 -0.12 0.25 0.37 0.00 0.00 175.52 176.04 3dps h LEU 1202N -0.69 -0.42 -0.21 2.58 5.85 -1.15 -1.13 115.31 120.14 3dps h LEU 1202Ca -0.03 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 3dps h LEU 1202Cb 0.48 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3dps h LEU 1202CO 0.05 -0.16 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.50 3dps h LEU 1203N -0.08 0.74 -0.46 2.25 3.38 -0.63 -2.30 115.31 118.21 3dps h LEU 1203Ca 0.15 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 3dps h LEU 1203Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3dps h LEU 1203CO -0.34 1.15 0.14 0.74 0.09 0.00 0.00 178.44 180.22 3dps h THR 1204N 0.35 1.23 -0.23 0.22 2.02 -1.24 0.35 112.91 115.61 3dps h THR 1204Ca 0.01 -0.77 -0.14 0.00 0.77 0.00 0.00 66.41 66.28 3dps h THR 1204Cb 1.03 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3dps h THR 1204CO 0.10 0.28 -0.42 0.00 0.37 0.00 0.00 175.52 175.84 3dps h MET 1205N 0.61 0.56 -0.15 6.66 -0.00 -1.20 -2.38 114.93 119.03 3dps h MET 1205Ca 0.15 -0.29 -0.08 0.00 -0.00 0.00 0.00 59.70 59.48 3dps h MET 1205Cb 0.28 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.89 3dps h MET 1205CO -0.00 0.88 -0.21 0.00 -0.00 0.00 0.00 176.91 177.58 3dps h ALA 1207N 0.59 1.29 -0.03 0.00 0.00 -0.86 -1.30 119.26 118.95 3dps h ALA 1207Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dps h ALA 1207Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dps h ALA 1207CO 0.05 0.19 -0.07 -1.13 0.00 0.00 0.00 179.25 178.29 3dps n SER 1208N -3.69 2.70 -0.19 0.00 3.41 -0.90 -4.36 113.62 110.58 3dps n SER 1208Ca -0.02 -1.87 0.06 0.00 -0.26 0.00 0.00 58.87 56.78 3dps n SER 1208Cb 0.27 0.07 0.08 0.00 -0.26 0.00 0.00 64.21 64.38 3dps n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dps n GLN 1209N 1.02 0.97 -1.12 4.33 6.02 -0.92 -4.99 117.38 122.69 3dps n GLN 1209Ca 0.14 -1.93 -0.04 0.00 -0.01 0.00 0.00 57.00 55.15 3dps n GLN 1209Cb 0.56 -1.12 -0.02 0.00 1.02 0.00 0.00 30.24 30.68 3dps n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dps n GLY 1210N -0.87 0.70 3.74 1.08 0.00 -1.13 -5.02 105.19 103.69 3dps n GLY 1210Ca 0.09 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 3dps n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dps s LEU 1211N -0.97 3.59 -0.16 0.99 1.43 -0.54 -5.06 118.68 117.97 3dps s LEU 1211Ca 0.00 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 3dps s LEU 1211Cb 0.00 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3dps s LEU 1211CO 0.00 0.09 0.13 -0.13 0.23 0.00 0.00 176.35 176.67 3dps s ARG 1212N -2.94 3.80 0.02 1.70 0.52 -0.37 -4.07 118.95 117.60 3dps s ARG 1212Ca 0.29 -0.19 -0.01 0.00 -0.52 0.00 0.00 55.73 55.30 3dps s ARG 1212Cb -0.10 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 3dps s ARG 1212CO 0.21 0.53 -0.01 0.00 0.02 0.00 0.00 175.30 176.05 3dps s ALA 1213N -0.32 0.07 0.20 2.13 0.00 -1.26 -0.42 121.76 122.17 3dps s ALA 1213Ca 0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 3dps s ALA 1213Cb -0.12 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3dps s ALA 1213CO 0.01 -0.15 0.18 0.20 0.00 0.00 0.00 175.76 176.00 3dps s GLY 1214N -1.31 1.29 -0.08 0.00 0.00 -0.63 -0.49 107.32 106.09 3dps s GLY 1214Ca -0.14 -1.57 -0.05 0.00 0.00 0.00 0.00 44.72 42.96 3dps s GLY 1214CO -0.01 -1.28 0.19 -0.29 0.00 0.00 0.00 173.10 171.71 3dps s MET 1215N -4.13 0.17 0.07 2.90 1.75 -1.26 -1.01 119.30 117.78 3dps s MET 1215Ca 0.36 0.38 0.06 0.00 -1.25 0.00 0.00 55.69 55.24 3dps s MET 1215Cb 0.06 -0.06 -0.03 0.00 2.84 0.00 0.00 34.83 37.64 3dps s MET 1215CO 0.11 -0.11 -0.17 0.54 -0.65 0.00 0.00 175.02 174.74 3dps s VAL 1216N 0.81 1.33 -0.07 10.11 0.11 -0.42 -1.98 120.40 130.28 3dps s VAL 1216Ca -0.06 -1.28 -0.11 0.00 -2.93 0.00 0.00 61.98 57.60 3dps s VAL 1216Cb -0.07 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.58 3dps s VAL 1216CO -0.05 -0.08 0.28 0.00 -3.33 0.00 0.00 175.10 171.93 3dps s ALA 1217N -1.08 -0.70 -0.05 1.54 0.00 -0.40 -1.72 121.76 119.35 3dps s ALA 1217Ca 0.02 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 3dps s ALA 1217Cb -0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 3dps s ALA 1217CO 0.02 -0.18 0.43 0.20 0.00 0.00 0.00 175.76 176.24 3dps s GLY 1218N -0.37 2.44 -0.24 0.00 0.00 -0.41 -0.45 107.32 108.29 3dps s GLY 1218Ca -0.05 -0.21 -0.29 0.00 0.00 0.00 0.00 44.72 44.17 3dps s GLY 1218CO 0.01 0.40 1.04 0.14 0.00 0.00 0.00 173.10 174.69 3dps s VAL 1219N -0.39 4.67 -0.64 1.40 1.01 -0.36 -0.73 120.40 125.35 3dps s VAL 1219Ca 0.24 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.27 3dps s VAL 1219Cb -0.16 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.92 3dps s VAL 1219CO 0.12 -0.21 0.55 2.30 0.00 0.00 0.00 175.10 177.86 3dps n ILE 1220N 5.38 0.00 -3.49 2.22 -5.35 0.09 -0.94 119.36 117.27 3dps n ILE 1220Ca 0.12 -0.45 -0.13 0.00 -0.27 0.00 0.00 62.75 62.02 3dps n ILE 1220Cb 0.46 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.42 3dps n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3dps s VAL 1221N -0.91 0.00 -0.21 7.28 0.11 -1.23 -4.75 120.40 120.69 3dps s VAL 1221Ca 0.06 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.06 3dps s VAL 1221Cb 0.05 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.97 3dps s VAL 1221CO 0.14 0.00 0.10 0.21 -3.33 0.00 0.00 175.10 172.22 3dps s ASN 1222N -1.99 2.74 0.15 3.54 3.84 -1.26 -1.68 114.94 120.28 3dps s ASN 1222Ca -0.03 -0.84 0.19 0.00 0.21 0.00 0.00 52.86 52.40 3dps s ASN 1222Cb -0.01 -0.29 0.80 0.00 -0.55 0.00 0.00 41.25 41.20 3dps s ASN 1222CO -0.03 -0.38 1.57 -2.11 -2.79 0.00 0.00 177.10 173.37 3dps n ARG 1223N 5.26 0.10 0.00 0.43 1.85 -1.23 -1.66 116.66 121.42 3dps n ARG 1223Ca -0.07 0.37 0.13 0.00 -1.00 0.00 0.00 57.85 57.29 3dps n ARG 1223Cb 0.47 -1.71 0.43 0.00 -1.05 0.00 0.00 32.46 30.60 3dps n ARG 1223CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3dps n THR 1224N -1.91 0.00 -4.32 8.89 -2.24 -1.26 -4.86 114.28 108.58 3dps n THR 1224Ca 0.02 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 3dps n THR 1224Cb 0.18 0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 68.85 3dps n THR 1224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dps s GLN 1225N -2.21 2.92 0.14 -0.78 -0.21 -0.66 -4.88 119.66 113.98 3dps s GLN 1225Ca 0.32 -0.49 -0.11 0.00 0.02 0.00 0.00 55.36 55.11 3dps s GLN 1225Cb 0.20 -2.75 -0.06 0.00 1.00 0.00 0.00 33.01 31.40 3dps s GLN 1225CO 0.41 0.67 1.42 0.37 -2.12 0.00 0.00 175.29 176.05 3dps h GLN 1226N 4.78 0.86 -6.69 2.91 4.15 -1.89 -3.44 115.11 115.79 3dps h GLN 1226Ca -0.50 -0.53 -0.53 0.00 0.77 0.00 0.00 58.65 57.86 3dps h GLN 1226Cb 1.19 0.06 0.05 0.00 0.21 0.00 0.00 27.48 28.99 3dps h GLN 1226CO 0.56 1.17 0.81 -2.00 -1.93 0.00 0.00 178.83 177.44 3dps s GLU 1227N -4.15 4.24 0.42 1.69 2.12 -1.26 -5.00 118.70 116.76 3dps s GLU 1227Ca -0.10 2.34 -0.11 0.00 0.36 0.00 0.00 54.97 57.45 3dps s GLU 1227Cb 0.10 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.30 3dps s GLU 1227CO 0.89 -0.51 0.79 0.96 -0.54 0.00 0.00 175.26 176.85 3dps s ILE 1228N 0.47 4.76 0.33 -3.70 -4.36 -1.26 -4.88 121.20 112.56 3dps s ILE 1228Ca 0.64 0.68 -0.29 0.00 -0.26 0.00 0.00 60.65 61.42 3dps s ILE 1228Cb -0.43 -3.73 -0.11 0.00 1.25 0.00 0.00 42.46 39.44 3dps s ILE 1228CO 0.39 -0.54 1.42 -2.84 0.24 0.00 0.00 174.94 173.60 3dps s PRO 1229N -3.88 4.23 0.85 0.37 0.02 -1.26 -4.96 135.00 130.36 3dps s PRO 1229Ca 0.52 2.40 -0.15 0.00 0.02 0.00 0.00 61.00 63.79 3dps s PRO 1229Cb -0.10 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 3dps s PRO 1229CO 0.31 -0.39 0.35 0.09 -0.33 0.00 0.00 177.00 177.03 3dps n ASN 1230N 0.99 -2.05 -0.30 2.53 3.02 -1.26 -4.58 115.26 113.61 3dps n ASN 1230Ca 0.02 0.44 0.14 0.00 -0.03 0.00 0.00 54.58 55.15 3dps n ASN 1230Cb 0.40 -1.17 0.28 0.00 -0.61 0.00 0.00 39.78 38.68 3dps n ASN 1230CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dps n ALA 1231N -2.94 0.49 -0.59 5.41 0.00 -1.26 0.22 120.51 121.84 3dps n ALA 1231Ca 0.07 0.94 -0.05 0.00 0.00 0.00 0.00 53.44 54.40 3dps n ALA 1231Cb 0.52 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 3dps n ALA 1231CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dps n GLU 1232N -5.27 1.17 0.11 0.00 -0.58 -1.26 -4.59 120.64 110.22 3dps n GLU 1232Ca 0.22 -0.46 0.18 0.00 -0.42 0.00 0.00 57.16 56.68 3dps n GLU 1232Cb 0.72 -1.60 0.55 0.00 -0.57 0.00 0.00 31.44 30.54 3dps n GLU 1232CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dps h THR 1233N 1.92 0.12 0.00 2.62 1.03 0.24 -3.19 112.91 115.64 3dps h THR 1233Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.49 3dps h THR 1233Cb 0.95 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 3dps h THR 1233CO 0.19 0.00 0.00 0.23 -0.01 0.00 0.00 175.52 175.93 3dps n MET 1234N -3.17 0.00 -0.09 0.00 2.81 -1.26 -4.59 117.12 110.81 3dps n MET 1234Ca 0.08 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.95 3dps n MET 1234Cb 0.88 -0.38 -0.02 0.00 -0.71 0.00 0.00 33.22 32.99 3dps n MET 1234CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3dps n LYS 1235N -3.47 -0.10 -0.34 0.03 4.76 -1.21 -0.67 118.16 117.17 3dps n LYS 1235Ca 0.00 0.94 0.09 0.00 -2.87 0.00 0.00 58.31 56.47 3dps n LYS 1235Cb 0.00 -1.40 0.28 0.00 -1.84 0.00 0.00 35.03 32.06 3dps n LYS 1235CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 3dps h GLN 1236N 0.00 0.89 -0.14 1.97 4.15 -1.96 0.13 115.11 120.16 3dps h GLN 1236Ca 0.03 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 3dps h GLN 1236Cb 0.09 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.58 3dps h GLN 1236CO -0.20 0.59 -0.31 1.15 -1.93 0.00 0.00 178.83 178.12 3dps h THR 1237N 0.91 1.37 -0.66 2.39 2.02 -1.18 -1.62 112.91 116.13 3dps h THR 1237Ca 0.49 -1.59 0.07 0.00 0.77 0.00 0.00 66.41 66.15 3dps h THR 1237Cb 0.56 2.04 -0.06 0.00 -1.74 0.00 0.00 68.15 68.96 3dps h THR 1237CO -0.26 0.47 0.35 -0.33 0.37 0.00 0.00 175.52 176.13 3dps h GLU 1238N 0.05 0.62 -0.41 6.66 5.08 -0.23 -0.63 114.58 125.72 3dps h GLU 1238Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3dps h GLU 1238Cb 0.91 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3dps h GLU 1238CO 0.07 0.41 0.26 0.77 -1.00 0.00 0.00 179.01 179.51 3dps h SER 1239N 0.64 0.48 -0.61 1.42 0.02 -0.68 -1.99 113.55 112.84 3dps h SER 1239Ca 0.31 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3dps h SER 1239Cb 0.24 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3dps h SER 1239CO -0.21 0.38 0.31 0.45 -1.14 0.00 0.00 176.83 176.62 3dps h HIS 1240N 0.55 0.86 -0.81 3.45 3.86 -0.86 -1.11 115.15 121.08 3dps h HIS 1240Ca 0.15 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3dps h HIS 1240Cb -0.03 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.14 3dps h HIS 1240CO -0.04 0.64 0.46 0.00 0.86 0.00 0.00 177.93 179.85 3dps h ALA 1241N 1.14 1.04 -0.47 2.45 0.00 -0.93 -0.62 119.26 121.87 3dps h ALA 1241Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3dps h ALA 1241Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3dps h ALA 1241CO -0.03 0.53 0.12 0.28 0.00 0.00 0.00 179.25 180.15 3dps h VAL 1242N 1.12 1.24 -0.53 0.00 2.07 -1.10 -1.09 116.25 117.96 3dps h VAL 1242Ca 0.29 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 67.02 3dps h VAL 1242Cb 0.00 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3dps h VAL 1242CO -0.05 0.30 0.28 0.50 0.02 0.00 0.00 177.57 178.62 3dps h LYS 1243N 0.64 0.54 -0.47 1.57 3.64 -0.79 -2.11 116.57 119.59 3dps h LYS 1243Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3dps h LYS 1243Cb 0.32 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3dps h LYS 1243CO 0.00 0.35 0.27 0.82 -2.27 0.00 0.00 179.45 178.63 3dps h ILE 1244N 0.55 1.15 -0.38 2.00 2.04 -0.74 -1.79 117.51 120.35 3dps h ILE 1244Ca 0.23 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 3dps h ILE 1244Cb 0.11 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3dps h ILE 1244CO -0.15 0.16 -0.16 1.62 0.00 0.00 0.00 178.15 179.62 3dps h VAL 1245N 0.62 1.26 -0.42 1.67 3.04 -0.91 0.40 116.25 121.92 3dps h VAL 1245Ca 0.17 -1.22 -0.12 0.00 -1.01 0.00 0.00 66.70 64.52 3dps h VAL 1245Cb 0.02 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 3dps h VAL 1245CO -0.03 0.41 -0.21 0.58 -1.01 0.00 0.00 177.57 177.30 3dps h VAL 1246N 0.63 1.28 -0.28 1.51 2.07 -1.29 -1.06 116.25 119.10 3dps h VAL 1246Ca 0.10 -1.36 -0.10 0.00 0.82 0.00 0.00 66.70 66.16 3dps h VAL 1246Cb 0.63 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3dps h VAL 1246CO 0.04 0.46 -0.23 -0.33 0.02 0.00 0.00 177.57 177.53 3dps h GLU 1247N 0.71 0.54 -0.41 1.57 4.39 -1.00 -1.76 114.58 118.61 3dps h GLU 1247Ca 0.09 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3dps h GLU 1247Cb 0.78 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3dps h GLU 1247CO 0.06 0.74 0.06 0.00 -1.16 0.00 0.00 179.01 178.71 3dps h ALA 1248N 1.27 0.55 -0.65 3.43 0.00 -0.79 -2.77 119.26 120.30 3dps h ALA 1248Ca 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3dps h ALA 1248Cb 0.66 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3dps h ALA 1248CO 0.05 0.27 0.43 0.00 0.00 0.00 0.00 179.25 180.00 3dps h ALA 1249N 0.93 1.71 -0.06 0.00 0.00 -0.81 -0.64 119.26 120.39 3dps h ALA 1249Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dps h ALA 1249Cb 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dps h ALA 1249CO 0.01 0.20 0.04 -0.09 0.00 0.00 0.00 179.25 179.42 3dps h ARG 1250N 0.71 0.03 -0.00 0.00 2.43 -1.04 -1.12 114.38 115.39 3dps h ARG 1250Ca 0.27 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3dps h ARG 1250Cb 0.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3dps h ARG 1250CO -0.08 0.02 -0.26 0.54 -1.51 0.00 0.00 179.97 178.68 3dps n ARG 1251N -4.53 0.46 -0.06 0.20 1.74 -0.26 -3.90 116.66 110.31 3dps n ARG 1251Ca -0.02 -0.22 0.06 0.00 -0.77 0.00 0.00 57.85 56.90 3dps n ARG 1251Cb 0.12 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.15 3dps n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dps n LEU 1252N -1.08 2.28 0.00 0.55 4.77 -0.44 -5.06 117.00 118.02 3dps n LEU 1252Ca 0.10 -1.33 0.14 0.00 -0.03 0.00 0.00 56.01 54.89 3dps n LEU 1252Cb 0.32 -0.08 0.82 0.00 -2.33 0.00 0.00 43.42 42.15 3dps n LEU 1252CO 0.28 0.49 0.99 0.18 -1.33 0.00 0.00 177.39 178.00