#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pga n ASP 1005N 0.00 0.35 -4.23 -3.46 8.00 0.44 -4.92 116.55 112.73 2pga n ASP 1005Ca 0.00 0.31 -0.15 0.00 0.71 0.00 0.00 54.79 55.66 2pga n ASP 1005Cb 0.00 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 2pga n ASP 1005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2pga s VAL 1006N -3.04 1.14 0.25 2.53 -7.23 -1.24 -5.04 120.40 107.76 2pga s VAL 1006Ca 0.12 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 2pga s VAL 1006Cb 0.17 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 2pga s VAL 1006CO 0.60 -0.64 1.61 0.15 -0.31 0.00 0.00 175.10 176.51 2pga h PHE 1007N 3.12 0.40 0.00 2.82 3.57 -1.95 -3.39 116.94 121.50 2pga h PHE 1007Ca -0.37 -0.13 -0.16 0.00 3.53 0.00 0.00 57.97 60.84 2pga h PHE 1007Cb 1.19 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 2pga h PHE 1007CO 0.65 0.76 -1.60 0.72 -2.23 0.00 0.00 178.31 176.61 2pga n HIS 1008N -3.96 0.00 0.21 0.41 8.25 -1.26 -4.77 115.22 114.10 2pga n HIS 1008Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 2pga n HIS 1008Cb 0.55 -0.41 0.26 0.00 1.12 0.00 0.00 29.99 31.52 2pga n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2pga h LEU 1009N 0.00 0.00 -0.62 2.41 3.38 -1.93 -3.44 115.31 115.11 2pga h LEU 1009Ca -0.23 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.45 2pga h LEU 1009Cb 1.38 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.22 2pga h LEU 1009CO -0.03 0.15 -0.47 0.61 0.09 0.00 0.00 178.44 178.79 2pga n GLY 1010N 0.81 -0.12 3.35 0.83 0.00 -1.26 -4.72 105.19 104.09 2pga n GLY 1010Ca 0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2pga n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 1011N -5.34 2.36 0.37 0.99 1.43 -1.26 -4.81 118.68 112.42 2pga s LEU 1011Ca 0.38 -0.78 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 2pga s LEU 1011Cb -0.17 -1.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.97 2pga s LEU 1011CO 0.47 0.08 0.00 0.42 0.23 0.00 0.00 176.35 177.55 2pga s THR 1012N -1.43 2.35 0.34 5.49 -4.23 -1.26 -0.42 115.64 116.47 2pga s THR 1012Ca 0.13 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.66 2pga s THR 1012Cb -0.09 -2.83 0.22 0.00 1.34 0.00 0.00 72.50 71.15 2pga s THR 1012CO 0.06 -0.13 1.95 0.11 -0.54 0.00 0.00 174.62 176.07 2pga h LYS 1013N 1.81 0.76 -0.78 3.99 1.57 -1.97 -1.75 116.57 120.19 2pga h LYS 1013Ca -0.43 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.31 2pga h LYS 1013Cb 1.25 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 2pga h LYS 1013CO 0.71 0.59 0.51 -0.97 -0.57 0.00 0.00 179.45 179.72 2pga h ASN 1014N 0.77 0.78 -0.62 0.86 -1.24 -1.95 -1.67 115.58 112.51 2pga h ASN 1014Ca 0.19 -0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.31 2pga h ASN 1014Cb 0.07 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 2pga h ASN 1014CO -0.03 0.52 0.42 0.44 -1.29 0.00 0.00 177.43 177.49 2pga h ASP 1015N 0.90 0.35 1.72 1.15 3.45 -1.72 -2.14 116.42 120.14 2pga h ASP 1015Ca 0.32 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.77 2pga h ASP 1015Cb 0.13 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 2pga h ASP 1015CO -0.10 0.20 -0.13 -0.07 -1.57 0.00 0.00 179.24 177.57 2pga h LEU 1016N 0.38 0.00 -0.34 1.55 4.07 -1.33 -3.48 115.31 116.16 2pga h LEU 1016Ca 0.29 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.80 2pga h LEU 1016Cb 0.62 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.30 2pga h LEU 1016CO -0.08 0.13 -0.69 0.00 -1.08 0.00 0.00 178.44 176.72 2pga n GLN 1017N -3.15 -4.50 -0.71 1.13 1.13 -0.80 -1.00 117.38 109.48 2pga n GLN 1017Ca 0.03 0.56 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 2pga n GLN 1017Cb 0.55 -5.37 0.00 0.00 0.11 0.00 0.00 30.24 25.53 2pga n GLN 1017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pga n GLY 1018N -1.47 0.73 3.71 1.08 0.00 -1.26 -4.67 105.19 103.30 2pga n GLY 1018Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2pga n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga n ALA 1019N 0.13 1.41 -0.25 4.61 0.00 -0.17 -4.91 120.51 121.33 2pga n ALA 1019Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2pga n ALA 1019Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2pga n ALA 1019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pga n GLN 1020N 0.37 0.87 -5.21 0.00 6.02 -1.26 -4.40 117.38 113.77 2pga n GLN 1020Ca 0.05 -0.23 -0.30 0.00 -0.01 0.00 0.00 57.00 56.51 2pga n GLN 1020Cb 0.38 -0.68 -0.16 0.00 1.02 0.00 0.00 30.24 30.79 2pga n GLN 1020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2pga s LEU 1021N -0.38 2.04 -0.05 1.08 0.20 -1.26 -0.38 118.68 119.94 2pga s LEU 1021Ca 0.00 -0.46 0.04 0.00 0.69 0.00 0.00 54.13 54.40 2pga s LEU 1021Cb 0.00 -1.28 -0.00 0.00 -0.43 0.00 0.00 46.19 44.48 2pga s LEU 1021CO 0.00 0.26 -0.16 0.00 -0.29 0.00 0.00 176.35 176.16 2pga s ALA 1022N -0.34 1.47 -0.18 5.97 0.00 0.21 -1.82 121.76 127.07 2pga s ALA 1022Ca 0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 2pga s ALA 1022Cb -0.11 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2pga s ALA 1022CO 0.01 0.25 0.34 0.42 0.00 0.00 0.00 175.76 176.78 2pga s ILE 1023N 0.12 5.26 -0.52 0.00 1.01 0.08 -0.98 121.20 126.16 2pga s ILE 1023Ca -0.05 0.61 0.03 0.00 0.00 0.00 0.00 60.65 61.24 2pga s ILE 1023Cb -0.12 -3.67 0.14 0.00 0.01 0.00 0.00 42.46 38.82 2pga s ILE 1023CO 0.02 0.32 0.31 0.68 0.00 0.00 0.00 174.94 176.27 2pga s VAL 1024N 0.88 2.06 0.89 2.92 -7.23 0.30 -1.31 120.40 118.90 2pga s VAL 1024Ca 0.17 -3.19 -0.12 0.00 -1.81 0.00 0.00 61.98 57.03 2pga s VAL 1024Cb -0.14 -2.41 0.12 0.00 0.56 0.00 0.00 36.38 34.51 2pga s VAL 1024CO 0.06 -0.91 1.13 -2.16 -0.31 0.00 0.00 175.10 172.92 2pga s PRO 1025N -0.27 1.35 -0.00 4.82 0.04 -1.24 -3.69 135.00 136.02 2pga s PRO 1025Ca 0.20 0.34 -0.14 0.00 0.04 0.00 0.00 61.00 61.44 2pga s PRO 1025Cb -0.19 -1.86 -0.34 0.00 0.04 0.00 0.00 34.50 32.15 2pga s PRO 1025CO -0.05 -2.06 0.86 0.78 0.04 0.00 0.00 177.00 176.57 2pga h GLY 1026N -1.40 0.55 -6.09 0.56 0.00 -1.85 -1.31 103.07 93.55 2pga h GLY 1026Ca -0.50 -1.42 -0.60 0.00 0.00 0.00 0.00 47.33 44.82 2pga h GLY 1026CO 0.62 1.24 0.02 -0.35 0.00 0.00 0.00 176.54 178.07 2pga s ASP 1027N -7.47 6.62 0.58 0.19 3.68 -1.26 -1.16 116.67 117.85 2pga s ASP 1027Ca -0.12 0.75 0.27 0.00 2.13 0.00 0.00 52.55 55.58 2pga s ASP 1027Cb 0.05 -2.31 1.60 0.00 -1.45 0.00 0.00 42.92 40.80 2pga s ASP 1027CO 0.91 -0.21 2.09 1.55 0.13 0.00 0.00 175.17 179.65 2pga h PRO 1028N 7.43 0.00 0.00 4.34 0.13 -1.89 -0.90 132.00 141.11 2pga h PRO 1028Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2pga h PRO 1028Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2pga h PRO 1028CO 0.75 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.45 2pga h GLU 1029N 0.00 0.00 0.00 0.86 5.08 -1.95 -2.86 114.58 115.71 2pga h GLU 1029Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2pga h GLU 1029Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pga h GLU 1029CO -0.00 0.00 -0.19 -0.09 -1.00 0.00 0.00 179.01 177.73 2pga h ARG 1030N 0.00 0.00 -0.01 2.33 2.43 -1.57 -3.38 114.38 114.18 2pga h ARG 1030Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pga h ARG 1030Cb 0.70 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2pga h ARG 1030CO 0.00 0.00 0.00 0.28 -1.51 0.00 0.00 179.97 178.74 2pga h VAL 1031N 0.00 1.09 -0.80 0.20 2.07 -1.55 -1.59 116.25 115.67 2pga h VAL 1031Ca 0.00 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.31 2pga h VAL 1031Cb 0.80 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2pga h VAL 1031CO 0.00 0.07 0.49 -0.08 0.02 0.00 0.00 177.57 178.07 2pga h GLU 1032N -0.10 0.87 -0.55 1.57 4.81 -1.77 -1.32 114.58 118.09 2pga h GLU 1032Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2pga h GLU 1032Cb 0.11 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2pga h GLU 1032CO -0.00 0.58 0.33 0.87 -0.73 0.00 0.00 179.01 180.05 2pga h LYS 1033N 0.90 0.75 -0.42 1.92 1.79 -1.65 -0.82 116.57 119.04 2pga h LYS 1033Ca 0.35 -0.07 -0.12 0.00 -2.18 0.00 0.00 60.65 58.63 2pga h LYS 1033Cb 0.17 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2pga h LYS 1033CO -0.17 0.55 -0.19 0.82 -1.08 0.00 0.00 179.45 179.37 2pga h ILE 1034N 0.74 1.28 -0.05 1.86 2.04 -1.01 -2.90 117.51 119.47 2pga h ILE 1034Ca 0.20 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2pga h ILE 1034Cb -0.01 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2pga h ILE 1034CO -0.04 0.45 -0.09 0.00 0.00 0.00 0.00 178.15 178.48 2pga h ALA 1035N 0.83 1.77 0.00 1.87 0.00 -0.97 -1.66 119.26 121.10 2pga h ALA 1035Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pga h ALA 1035Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2pga h ALA 1035CO 0.06 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2pga n ALA 1036N -2.51 1.46 1.55 0.00 0.00 -0.34 -1.34 120.51 119.33 2pga n ALA 1036Ca -0.02 0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.65 2pga n ALA 1036Cb 0.18 -1.32 0.73 0.00 0.00 0.00 0.00 19.45 19.05 2pga n ALA 1036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pga n LEU 1037N -2.07 0.25 0.00 0.00 4.32 -0.62 -4.89 117.00 113.98 2pga n LEU 1037Ca 0.01 0.08 -0.24 0.00 -0.02 0.00 0.00 56.01 55.84 2pga n LEU 1037Cb 0.15 -0.17 -0.05 0.00 -1.62 0.00 0.00 43.42 41.73 2pga n LEU 1037CO 0.15 0.04 -0.18 0.23 -1.22 0.00 0.00 177.39 176.41 2pga n MET 1038N -1.03 1.09 -3.59 3.23 2.81 -0.45 -5.09 117.12 114.09 2pga n MET 1038Ca 0.17 -2.74 -0.34 0.00 -1.81 0.00 0.00 57.70 52.98 2pga n MET 1038Cb 0.23 0.74 -0.05 0.00 -0.71 0.00 0.00 33.22 33.43 2pga n MET 1038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pga s ASP 1039N -3.06 6.62 -1.50 7.83 1.01 -0.24 -4.51 116.67 122.82 2pga s ASP 1039Ca 0.00 0.77 -0.06 0.00 0.71 0.00 0.00 52.55 53.97 2pga s ASP 1039Cb 0.00 -2.17 0.05 0.00 1.01 0.00 0.00 42.92 41.81 2pga s ASP 1039CO 0.00 0.16 0.53 0.29 0.21 0.00 0.00 175.17 176.36 2pga n LYS 1040N 0.84 -3.31 -2.11 8.23 4.76 -1.26 -0.08 118.16 125.23 2pga n LYS 1040Ca -0.08 0.40 -0.40 0.00 -2.87 0.00 0.00 58.31 55.36 2pga n LYS 1040Cb 0.52 -4.70 -0.02 0.00 -1.84 0.00 0.00 35.03 28.99 2pga n LYS 1040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2pga s PRO 1041N -6.68 4.29 0.00 1.97 0.04 -1.26 -4.57 135.00 128.79 2pga s PRO 1041Ca 0.23 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2pga s PRO 1041Cb -0.12 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 2pga s PRO 1041CO 0.90 -0.24 -0.05 0.54 0.04 0.00 0.00 177.00 178.19 2pga s VAL 1042N -1.17 0.37 0.12 -0.36 0.11 0.41 -4.99 120.40 114.90 2pga s VAL 1042Ca 0.50 -0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 58.92 2pga s VAL 1042Cb -0.39 -0.34 -0.07 0.00 -1.53 0.00 0.00 36.38 34.05 2pga s VAL 1042CO 0.52 0.01 1.11 -0.75 -3.33 0.00 0.00 175.10 172.67 2pga s LYS 1043N -0.35 4.55 -0.25 1.54 2.20 -1.26 -0.96 119.74 125.19 2pga s LYS 1043Ca -0.00 1.70 -0.15 0.00 -0.36 0.00 0.00 55.97 57.15 2pga s LYS 1043Cb -0.03 -3.32 -0.12 0.00 -1.51 0.00 0.00 37.83 32.85 2pga s LYS 1043CO -0.00 -0.03 -0.28 1.28 -0.36 0.00 0.00 175.35 175.96 2pga n LEU 1044N 2.99 1.94 -3.46 5.43 4.77 0.65 -4.90 117.00 124.42 2pga n LEU 1044Ca 0.05 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.27 2pga n LEU 1044Cb 0.47 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2pga n LEU 1044CO 0.54 0.38 0.51 0.00 -1.33 0.00 0.00 177.39 177.50 2pga s ALA 1045N -2.56 -1.70 -0.17 -1.18 0.00 -1.03 -5.00 121.76 110.12 2pga s ALA 1045Ca -0.36 0.80 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 2pga s ALA 1045Cb 0.12 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.88 2pga s ALA 1045CO 0.49 -0.68 0.16 0.45 0.00 0.00 0.00 175.76 176.18 2pga s SER 1046N -2.41 1.65 -0.03 0.00 0.15 -1.26 -0.71 113.70 111.09 2pga s SER 1046Ca 0.01 -0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.37 2pga s SER 1046Cb -0.01 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 2pga s SER 1046CO -0.08 -0.32 0.02 -1.00 1.20 0.00 0.00 173.24 173.05 2pga s HIS 1047N 2.25 0.21 0.00 3.44 3.76 -0.38 -4.99 115.29 119.58 2pga s HIS 1047Ca 0.05 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 2pga s HIS 1047Cb -0.15 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.17 2pga s HIS 1047CO -0.10 -0.13 0.00 0.54 -0.85 0.00 0.00 174.74 174.20 2pga n ARG 1048N 4.29 0.00 -0.05 1.40 1.74 -1.26 -0.19 116.66 122.59 2pga n ARG 1048Ca -0.24 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.87 2pga n ARG 1048Cb 0.50 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 32.11 2pga n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2pga n GLU 1049N 14.00 1.24 -3.45 5.56 0.00 -1.26 -4.72 120.64 132.02 2pga n GLU 1049Ca 0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 57.16 56.35 2pga n GLU 1049Cb 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 31.44 30.23 2pga n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pga s PHE 1050N -1.88 3.46 -0.17 -1.84 0.40 0.73 -4.00 117.98 114.69 2pga s PHE 1050Ca 0.13 -1.84 -0.06 0.00 -0.60 0.00 0.00 56.93 54.55 2pga s PHE 1050Cb 0.06 -3.63 -0.04 0.00 0.51 0.00 0.00 43.02 39.93 2pga s PHE 1050CO 0.10 -0.98 0.03 0.99 0.70 0.00 0.00 175.22 176.05 2pga s THR 1051N 0.95 4.50 -0.00 0.64 2.01 -1.26 -1.25 115.64 121.23 2pga s THR 1051Ca 0.09 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.99 2pga s THR 1051Cb -0.22 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 2pga s THR 1051CO -0.02 0.48 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.32 2pga s SER 1052N 0.28 1.48 0.12 3.53 1.04 0.11 -1.44 113.70 118.82 2pga s SER 1052Ca 0.01 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.25 2pga s SER 1052Cb -0.13 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 2pga s SER 1052CO 0.01 0.14 -0.13 0.26 0.98 0.00 0.00 173.24 174.50 2pga s TRP 1053N -0.35 1.30 0.04 5.02 0.52 0.28 -0.25 118.94 125.50 2pga s TRP 1053Ca 0.04 -0.59 0.06 0.00 0.02 0.00 0.00 56.10 55.63 2pga s TRP 1053Cb -0.05 -0.68 -0.03 0.00 -1.15 0.00 0.00 33.47 31.55 2pga s TRP 1053CO -0.00 0.10 -0.13 0.50 0.02 0.00 0.00 176.95 177.44 2pga s ARG 1054N -2.78 2.22 0.35 4.98 3.52 -0.14 -0.77 118.95 126.34 2pga s ARG 1054Ca 0.08 -0.91 0.02 0.00 -0.13 0.00 0.00 55.73 54.79 2pga s ARG 1054Cb -0.04 -2.30 -0.01 0.00 -1.56 0.00 0.00 34.95 31.05 2pga s ARG 1054CO 0.02 0.55 0.41 0.00 -0.81 0.00 0.00 175.30 175.47 2pga n ALA 1055N 1.41 0.11 -2.58 6.12 0.00 -0.27 -0.44 120.51 124.87 2pga n ALA 1055Ca -0.15 -1.80 -0.31 0.00 0.00 0.00 0.00 53.44 51.17 2pga n ALA 1055Cb 0.52 1.45 -0.16 0.00 0.00 0.00 0.00 19.45 21.26 2pga n ALA 1055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pga s GLU 1056N -3.06 2.41 -0.14 0.00 2.02 0.88 -0.81 118.70 120.01 2pga s GLU 1056Ca 0.34 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 2pga s GLU 1056Cb 0.00 -2.14 0.03 0.00 0.10 0.00 0.00 34.13 32.13 2pga s GLU 1056CO 0.24 0.45 -0.07 -1.17 0.02 0.00 0.00 175.26 174.74 2pga s LEU 1057N -0.34 1.39 -1.38 1.80 2.96 0.52 -1.08 118.68 122.55 2pga s LEU 1057Ca 0.02 -0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 53.33 2pga s LEU 1057Cb -0.12 -0.89 0.12 0.00 0.50 0.00 0.00 46.19 45.80 2pga s LEU 1057CO 0.02 -0.14 0.55 0.47 -1.32 0.00 0.00 176.35 175.92 2pga n ASP 1058N 4.91 -3.00 0.00 3.68 10.43 -1.26 -1.14 116.55 130.17 2pga n ASP 1058Ca -0.12 -0.63 0.00 0.00 2.57 0.00 0.00 54.79 56.61 2pga n ASP 1058Cb 0.49 -2.50 0.00 0.00 1.84 0.00 0.00 41.12 40.95 2pga n ASP 1058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pga n GLY 1059N -1.14 0.63 3.28 0.44 0.00 -1.26 -5.05 105.19 102.08 2pga n GLY 1059Ca 0.04 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2pga n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pga s LYS 1060N -0.35 1.80 0.27 1.61 1.02 -0.29 -5.07 119.74 118.72 2pga s LYS 1060Ca 0.00 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 2pga s LYS 1060Cb 0.00 -1.81 -0.10 0.00 -0.52 0.00 0.00 37.83 35.41 2pga s LYS 1060CO 0.00 0.49 1.31 0.00 -0.92 0.00 0.00 175.35 176.22 2pga s ALA 1061N -0.64 3.52 0.01 5.17 0.00 -1.26 -0.36 121.76 128.20 2pga s ALA 1061Ca 0.09 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.25 2pga s ALA 1061Cb -0.09 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2pga s ALA 1061CO 0.00 -0.58 -0.03 0.08 0.00 0.00 0.00 175.76 175.23 2pga s VAL 1062N -0.57 0.23 -0.04 0.00 1.01 0.01 -4.28 120.40 116.76 2pga s VAL 1062Ca 0.53 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 2pga s VAL 1062Cb -0.38 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2pga s VAL 1062CO 0.46 -0.10 0.16 -0.63 0.00 0.00 0.00 175.10 174.99 2pga s ILE 1063N -0.47 5.40 -0.15 2.22 -1.09 -0.75 -1.11 121.20 125.24 2pga s ILE 1063Ca -0.03 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.33 2pga s ILE 1063Cb -0.04 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 2pga s ILE 1063CO -0.00 0.41 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.23 2pga s VAL 1064N -1.23 1.96 -0.06 2.92 1.01 0.05 -0.74 120.40 124.30 2pga s VAL 1064Ca 0.24 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2pga s VAL 1064Cb -0.12 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.54 2pga s VAL 1064CO 0.14 0.53 0.14 0.00 0.00 0.00 0.00 175.10 175.91 2pga s SER 1066N 1.30 6.32 -0.02 0.00 1.04 -0.52 -3.67 113.70 118.16 2pga s SER 1066Ca -0.08 1.86 0.17 0.00 0.48 0.00 0.00 55.95 58.39 2pga s SER 1066Cb -0.12 -2.55 -0.24 0.00 0.10 0.00 0.00 66.02 63.21 2pga s SER 1066CO -0.06 -0.79 0.48 0.35 0.98 0.00 0.00 173.24 174.20 2pga n THR 1067N -1.15 0.00 -0.32 2.02 -2.24 -0.49 -4.44 114.28 107.66 2pga n THR 1067Ca 0.09 -0.30 0.04 0.00 -2.27 0.00 0.00 64.05 61.61 2pga n THR 1067Cb 0.53 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.14 2pga n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pga n GLY 1068N 1.49 -1.59 3.71 3.38 0.00 -0.31 -3.03 105.19 108.83 2pga n GLY 1068Ca -0.01 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 2pga n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 1069N -1.54 4.93 0.00 -0.61 1.01 -1.26 -4.69 121.20 119.04 2pga s ILE 1069Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.46 2pga s ILE 1069Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2pga s ILE 1069CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2pga n GLY 1070N 3.02 1.68 0.37 6.18 0.00 -1.24 -4.58 105.19 110.62 2pga n GLY 1070Ca 0.03 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.27 2pga n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pga h GLY 1071N 0.00 1.45 0.97 -0.02 0.00 -1.85 -2.18 103.07 101.45 2pga h GLY 1071Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 2pga h GLY 1071CO 0.00 0.39 0.05 -2.55 0.00 0.00 0.00 176.54 174.43 2pga h PRO 1072N 1.21 0.10 -0.10 4.80 0.11 -1.93 0.23 132.00 136.41 2pga h PRO 1072Ca 0.40 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.38 2pga h PRO 1072Cb 0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2pga h PRO 1072CO -0.14 0.10 -0.49 0.66 -0.21 0.00 0.00 178.00 177.92 2pga h SER 1073N 0.08 0.29 -0.53 -2.05 4.64 -1.78 -2.83 113.55 111.37 2pga h SER 1073Ca 0.03 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 2pga h SER 1073Cb 0.02 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 2pga h SER 1073CO -0.01 0.73 0.31 0.74 -0.87 0.00 0.00 176.83 177.73 2pga h THR 1074N 0.21 1.03 -0.14 2.95 2.02 -1.09 -1.77 112.91 116.12 2pga h THR 1074Ca 0.01 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2pga h THR 1074Cb 0.94 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2pga h THR 1074CO 0.08 0.11 -0.05 0.77 0.37 0.00 0.00 175.52 176.80 2pga h SER 1075N 0.60 0.19 -0.05 4.18 4.64 -0.32 -0.55 113.55 122.24 2pga h SER 1075Ca 0.22 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 2pga h SER 1075Cb 0.06 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2pga h SER 1075CO -0.12 0.27 -0.08 0.40 -0.87 0.00 0.00 176.83 176.44 2pga h ILE 1076N 0.20 1.41 -0.11 0.95 2.04 -1.24 -1.89 117.51 118.87 2pga h ILE 1076Ca 0.05 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.58 2pga h ILE 1076Cb 0.22 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 2pga h ILE 1076CO 0.01 0.37 -0.01 0.00 0.00 0.00 0.00 178.15 178.52 2pga h ALA 1077N 0.49 0.09 -0.28 1.87 0.00 -0.88 -0.96 119.26 119.58 2pga h ALA 1077Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2pga h ALA 1077Cb 0.63 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2pga h ALA 1077CO 0.02 -0.46 0.10 0.28 0.00 0.00 0.00 179.25 179.19 2pga h VAL 1078N 0.03 1.19 -0.36 0.00 2.07 -1.19 0.22 116.25 118.20 2pga h VAL 1078Ca 0.05 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2pga h VAL 1078Cb 0.06 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2pga h VAL 1078CO -0.09 0.19 0.24 -0.08 0.02 0.00 0.00 177.57 177.85 2pga h GLU 1079N 0.30 0.48 -0.14 1.57 4.57 -1.21 0.13 114.58 120.28 2pga h GLU 1079Ca 0.09 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.06 2pga h GLU 1079Cb 0.20 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2pga h GLU 1079CO -0.01 0.32 -0.67 0.93 -1.18 0.00 0.00 179.01 178.41 2pga h GLU 1080N 0.49 0.55 -0.73 1.92 5.08 -1.03 -0.91 114.58 119.96 2pga h GLU 1080Ca 0.13 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2pga h GLU 1080Cb -0.05 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2pga h GLU 1080CO -0.03 1.03 0.43 -0.07 -1.00 0.00 0.00 179.01 179.38 2pga h LEU 1081N 0.40 0.88 -0.54 1.33 3.38 -0.84 -1.96 115.31 117.95 2pga h LEU 1081Ca -0.02 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2pga h LEU 1081Cb 1.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2pga h LEU 1081CO 0.12 0.69 0.32 0.00 0.09 0.00 0.00 178.44 179.66 2pga h ALA 1082N 1.23 0.70 -0.94 1.53 0.00 -0.33 -0.94 119.26 120.51 2pga h ALA 1082Ca 0.26 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2pga h ALA 1082Cb -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2pga h ALA 1082CO -0.05 0.02 0.61 1.96 0.00 0.00 0.00 179.25 181.79 2pga h GLN 1083N 0.62 1.02 0.00 0.00 4.20 -0.85 -1.54 115.11 118.57 2pga h GLN 1083Ca 0.22 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2pga h GLN 1083Cb 0.05 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2pga h GLN 1083CO -0.11 0.68 0.00 1.28 -0.67 0.00 0.00 178.83 180.01 2pga n LEU 1084N -4.50 0.67 0.00 1.46 4.77 -0.77 -4.89 117.00 113.74 2pga n LEU 1084Ca 0.15 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2pga n LEU 1084Cb 0.22 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2pga n LEU 1084CO 0.32 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 2pga n GLY 1085N 0.73 0.63 3.74 -0.72 0.00 -0.58 -4.76 105.19 104.24 2pga n GLY 1085Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2pga n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 1086N -1.44 3.31 0.00 -0.61 -1.09 -0.43 -4.59 121.20 116.34 2pga s ILE 1086Ca 0.00 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.53 2pga s ILE 1086Cb 0.00 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 2pga s ILE 1086CO 0.00 0.18 0.00 0.54 -1.23 0.00 0.00 174.94 174.43 2pga n ARG 1087N 2.40 3.63 -4.53 2.79 5.12 0.49 -4.16 116.66 122.39 2pga n ARG 1087Ca 0.05 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.73 2pga n ARG 1087Cb 0.43 -0.68 -0.16 0.00 -1.16 0.00 0.00 32.46 30.89 2pga n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2pga s THR 1088N -1.32 1.05 -0.08 0.55 2.01 -0.80 -1.04 115.64 116.01 2pga s THR 1088Ca 0.00 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2pga s THR 1088Cb 0.00 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.56 2pga s THR 1088CO 0.00 0.33 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.75 2pga s PHE 1089N 0.61 1.77 -0.23 4.92 0.40 0.97 -0.62 117.98 125.81 2pga s PHE 1089Ca -0.13 -0.70 0.02 0.00 -0.60 0.00 0.00 56.93 55.53 2pga s PHE 1089Cb -0.15 -1.26 0.04 0.00 0.51 0.00 0.00 43.02 42.17 2pga s PHE 1089CO 0.03 -0.33 -0.14 -0.51 0.70 0.00 0.00 175.22 174.97 2pga s LEU 1090N 0.62 2.96 0.09 -0.37 1.43 -0.16 -0.98 118.68 122.28 2pga s LEU 1090Ca -0.15 -1.09 -0.23 0.00 -1.03 0.00 0.00 54.13 51.62 2pga s LEU 1090Cb -0.16 -1.53 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 2pga s LEU 1090CO 0.04 -0.12 0.71 -0.60 0.23 0.00 0.00 176.35 176.61 2pga s ARG 1091N 1.19 4.44 -0.12 1.70 3.52 -0.06 -0.54 118.95 129.07 2pga s ARG 1091Ca -0.03 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 56.57 2pga s ARG 1091Cb -0.17 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 2pga s ARG 1091CO -0.08 0.46 -0.16 -1.50 -0.81 0.00 0.00 175.30 173.22 2pga s ILE 1092N -0.66 1.57 0.41 4.11 -1.16 -1.24 -1.41 121.20 122.81 2pga s ILE 1092Ca 0.35 -0.68 0.04 0.00 -0.51 0.00 0.00 60.65 59.85 2pga s ILE 1092Cb -0.21 -1.43 -0.02 0.00 0.61 0.00 0.00 42.46 41.41 2pga s ILE 1092CO 0.23 0.46 0.14 -0.83 -2.81 0.00 0.00 174.94 172.12 2pga s GLY 1093N 1.03 2.63 0.12 1.50 0.00 -0.38 -4.20 107.32 108.01 2pga s GLY 1093Ca -0.05 -1.24 0.09 0.00 0.00 0.00 0.00 44.72 43.52 2pga s GLY 1093CO -0.03 -1.82 -0.23 -0.51 0.00 0.00 0.00 173.10 170.51 2pga s THR 1094N -3.21 1.89 0.13 0.90 -4.23 -1.26 -1.33 115.64 108.54 2pga s THR 1094Ca 0.24 -1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 58.94 2pga s THR 1094Cb 0.02 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 72.19 2pga s THR 1094CO 0.15 -0.03 0.43 0.28 -0.54 0.00 0.00 174.62 174.91 2pga s THR 1095N -1.19 0.06 -0.23 3.99 -1.32 -0.34 -4.87 115.64 111.72 2pga s THR 1095Ca 0.09 -0.51 -0.10 0.00 -1.21 0.00 0.00 61.69 59.97 2pga s THR 1095Cb -0.10 -1.17 -0.05 0.00 -1.51 0.00 0.00 72.50 69.68 2pga s THR 1095CO 0.05 -0.26 0.13 -0.83 -2.21 0.00 0.00 174.62 171.50 2pga s GLY 1096N -2.80 1.94 0.49 6.08 0.00 -1.26 -2.06 107.32 109.71 2pga s GLY 1096Ca 0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 44.72 43.70 2pga s GLY 1096CO -0.12 0.36 0.94 0.00 0.00 0.00 0.00 173.10 174.28 2pga s ALA 1097N 1.03 3.13 0.00 3.20 0.00 -0.35 -2.86 121.76 125.91 2pga s ALA 1097Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2pga s ALA 1097Cb -0.14 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2pga s ALA 1097CO 0.04 -0.19 0.76 0.44 0.00 0.00 0.00 175.76 176.81 2pga n ILE 1098N -1.52 0.55 -4.06 0.00 -5.35 -0.11 -0.89 119.36 107.98 2pga n ILE 1098Ca 0.06 -0.73 -0.35 0.00 -0.27 0.00 0.00 62.75 61.45 2pga n ILE 1098Cb 0.54 0.76 -0.09 0.00 -1.74 0.00 0.00 39.64 39.11 2pga n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pga s GLN 1099N -0.55 3.64 0.46 6.28 -1.52 -1.25 -4.83 119.66 121.89 2pga s GLN 1099Ca 0.00 -0.31 0.14 0.00 -1.95 0.00 0.00 55.36 53.24 2pga s GLN 1099Cb 0.00 -3.11 1.06 0.00 -0.22 0.00 0.00 33.01 30.73 2pga s GLN 1099CO 0.00 0.48 2.04 -1.35 -0.25 0.00 0.00 175.29 176.21 2pga h PRO 1100N 5.97 0.05 -0.00 2.91 0.11 -1.97 -2.18 132.00 136.90 2pga h PRO 1100Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pga h PRO 1100Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pga h PRO 1100CO 0.64 0.15 -0.04 -2.39 -0.21 0.00 0.00 178.00 176.16 2pga n HIS 1101N -4.40 0.00 -3.28 0.65 1.44 -1.26 -4.69 115.22 103.69 2pga n HIS 1101Ca -0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.26 2pga n HIS 1101Cb 0.19 -0.22 -0.08 0.00 0.12 0.00 0.00 29.99 29.99 2pga n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2pga s ILE 1102N -2.48 5.04 0.23 0.61 1.01 -0.82 -5.06 121.20 119.73 2pga s ILE 1102Ca 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 2pga s ILE 1102Cb 0.20 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 2pga s ILE 1102CO 0.46 -0.40 0.49 0.20 0.00 0.00 0.00 174.94 175.69 2pga s ASN 1103N 1.83 6.49 0.30 3.58 0.02 -1.26 -4.86 114.94 121.04 2pga s ASN 1103Ca 0.15 0.69 -0.29 0.00 -1.02 0.00 0.00 52.86 52.38 2pga s ASN 1103Cb -0.16 -2.13 -0.13 0.00 0.02 0.00 0.00 41.25 38.85 2pga s ASN 1103CO 0.14 -0.09 1.36 0.52 0.02 0.00 0.00 177.10 179.06 2pga n VAL 1104N -0.49 1.49 0.00 1.60 0.31 -1.26 -1.25 118.33 118.73 2pga n VAL 1104Ca -0.02 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2pga n VAL 1104Cb 0.53 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2pga n VAL 1104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pga n GLY 1105N 1.45 2.60 3.76 2.92 0.00 0.12 -5.01 105.19 111.03 2pga n GLY 1105Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2pga n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pga s ASP 1106N -1.34 4.14 -0.06 1.61 -0.00 -0.38 -4.74 116.67 115.90 2pga s ASP 1106Ca 0.00 1.49 0.05 0.00 -0.00 0.00 0.00 52.55 54.09 2pga s ASP 1106Cb 0.00 -2.21 -0.02 0.00 -0.00 0.00 0.00 42.92 40.70 2pga s ASP 1106CO 0.00 -2.22 -0.20 -0.69 -0.00 0.00 0.00 175.17 172.06 2pga s VAL 1107N -3.01 2.49 -0.15 -1.27 1.01 -0.07 -0.80 120.40 118.60 2pga s VAL 1107Ca 0.62 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2pga s VAL 1107Cb -0.16 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2pga s VAL 1107CO 0.56 0.57 -0.12 -0.76 0.00 0.00 0.00 175.10 175.35 2pga s LEU 1108N -0.35 2.71 -0.17 3.92 1.43 0.39 -1.26 118.68 125.35 2pga s LEU 1108Ca 0.03 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2pga s LEU 1108Cb -0.12 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2pga s LEU 1108CO 0.02 0.13 -0.05 -0.69 0.23 0.00 0.00 176.35 175.98 2pga s VAL 1109N 0.58 3.57 -0.26 -1.59 1.01 0.06 -1.01 120.40 122.76 2pga s VAL 1109Ca -0.07 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 2pga s VAL 1109Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2pga s VAL 1109CO 0.03 0.47 0.32 -0.89 0.00 0.00 0.00 175.10 175.04 2pga s THR 1110N 0.75 5.22 0.08 3.92 2.01 -0.74 -1.73 115.64 125.16 2pga s THR 1110Ca -0.02 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.48 2pga s THR 1110Cb -0.15 -3.65 -0.25 0.00 0.01 0.00 0.00 72.50 68.47 2pga s THR 1110CO 0.02 0.21 1.14 0.71 -0.69 0.00 0.00 174.62 176.01 2pga h THR 1111N 5.28 1.51 -1.97 -0.82 1.35 -1.39 -3.41 112.91 113.47 2pga h THR 1111Ca -0.34 -3.18 0.18 0.00 -0.55 0.00 0.00 66.41 62.53 2pga h THR 1111Cb 1.17 2.84 -0.15 0.00 -1.73 0.00 0.00 68.15 70.28 2pga h THR 1111CO 0.64 0.90 0.62 0.00 -0.25 0.00 0.00 175.52 177.43 2pga s ALA 1112N -2.67 -1.92 0.05 6.62 0.00 -1.26 -0.73 121.76 121.86 2pga s ALA 1112Ca -0.02 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.08 2pga s ALA 1112Cb 0.08 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2pga s ALA 1112CO 0.85 -0.73 -0.21 -1.12 0.00 0.00 0.00 175.76 174.55 2pga s SER 1113N -2.48 2.52 -0.00 0.00 0.01 0.09 -2.16 113.70 111.68 2pga s SER 1113Ca 0.08 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 2pga s SER 1113Cb -0.01 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 2pga s SER 1113CO -0.06 0.15 1.41 -0.69 0.41 0.00 0.00 173.24 174.46 2pga s VAL 1114N -0.87 3.70 -1.15 3.43 1.01 0.52 -4.32 120.40 122.73 2pga s VAL 1114Ca 0.07 1.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 2pga s VAL 1114Cb -0.09 -3.69 0.12 0.00 0.00 0.00 0.00 36.38 32.72 2pga s VAL 1114CO 0.02 -0.01 1.45 -0.13 0.00 0.00 0.00 175.10 176.43 2pga s ARG 1115N 2.47 3.91 -0.50 2.72 0.52 -1.26 -1.50 118.95 125.30 2pga s ARG 1115Ca 0.64 -2.11 0.03 0.00 -0.52 0.00 0.00 55.73 53.77 2pga s ARG 1115Cb -0.31 -5.18 0.59 0.00 0.52 0.00 0.00 34.95 30.56 2pga s ARG 1115CO 0.26 -1.94 1.90 1.28 0.02 0.00 0.00 175.30 176.83 2pga n LEU 1116N 6.86 6.76 -4.67 2.53 4.77 -0.11 -4.94 117.00 128.20 2pga n LEU 1116Ca 0.37 -3.85 -0.30 0.00 -0.03 0.00 0.00 56.01 52.20 2pga n LEU 1116Cb 0.46 -0.85 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 2pga n LEU 1116CO 0.64 1.21 -0.27 1.51 -1.33 0.00 0.00 177.39 179.16 2pga s ASP 1117N -1.61 3.85 -0.14 -1.43 3.84 -1.21 -1.39 116.67 118.58 2pga s ASP 1117Ca 0.58 -1.53 0.09 0.00 -0.00 0.00 0.00 52.55 51.69 2pga s ASP 1117Cb 0.48 0.13 -0.15 0.00 -1.38 0.00 0.00 42.92 42.01 2pga s ASP 1117CO 0.06 -0.69 -0.01 0.61 -0.00 0.00 0.00 175.17 175.14 2pga n GLY 1118N -1.09 -0.53 0.22 2.12 0.00 -1.26 -4.67 105.19 99.98 2pga n GLY 1118Ca -0.12 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.73 2pga n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga h ALA 1119N 0.46 1.39 -0.65 4.61 0.00 -1.98 -2.34 119.26 120.75 2pga h ALA 1119Ca -0.36 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.33 2pga h ALA 1119Cb 1.74 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 2pga h ALA 1119CO -0.00 0.43 0.43 0.66 0.00 0.00 0.00 179.25 180.76 2pga h SER 1120N 0.16 0.55 0.53 0.00 4.64 -1.85 0.67 113.55 118.26 2pga h SER 1120Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2pga h SER 1120Cb 0.55 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2pga h SER 1120CO 0.04 0.36 0.00 0.18 -0.87 0.00 0.00 176.83 176.54 2pga n LEU 1121N -4.48 0.67 -0.07 5.97 4.77 -0.88 -1.24 117.00 121.74 2pga n LEU 1121Ca 0.09 0.70 0.15 0.00 -0.03 0.00 0.00 56.01 56.92 2pga n LEU 1121Cb 0.24 -0.65 0.74 0.00 -2.33 0.00 0.00 43.42 41.42 2pga n LEU 1121CO 0.34 -0.69 0.98 1.41 -1.33 0.00 0.00 177.39 178.10 2pga n HIS 1122N -2.28 0.00 0.00 -1.77 8.25 0.23 -3.91 115.22 115.74 2pga n HIS 1122Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2pga n HIS 1122Cb 0.18 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2pga n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2pga n PHE 1123N -1.00 0.00 -3.56 4.41 3.01 -0.37 -5.09 117.46 114.85 2pga n PHE 1123Ca 0.17 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.47 2pga n PHE 1123Cb 0.23 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.63 2pga n PHE 1123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pga s ALA 1124N -1.97 -1.77 0.93 4.37 0.00 -0.79 -4.98 121.76 117.55 2pga s ALA 1124Ca 0.00 1.61 -0.11 0.00 0.00 0.00 0.00 51.96 53.45 2pga s ALA 1124Cb 0.00 -0.48 0.15 0.00 0.00 0.00 0.00 23.12 22.79 2pga s ALA 1124CO 0.00 -0.36 1.09 -1.25 0.00 0.00 0.00 175.76 175.24 2pga s PRO 1125N -0.56 0.94 0.57 0.00 0.04 -1.26 -3.92 135.00 130.82 2pga s PRO 1125Ca -0.07 1.03 0.26 0.00 0.04 0.00 0.00 61.00 62.26 2pga s PRO 1125Cb -0.02 -1.76 1.63 0.00 0.04 0.00 0.00 34.50 34.39 2pga s PRO 1125CO 0.06 -2.52 2.16 1.98 0.04 0.00 0.00 177.00 178.73 2pga h MET 1126N -1.76 0.00 0.00 4.56 4.05 -1.94 -1.18 114.93 118.66 2pga h MET 1126Ca -0.49 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.91 2pga h MET 1126Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2pga h MET 1126CO 0.51 0.00 -0.05 0.93 0.23 0.00 0.00 176.91 178.52 2pga h GLU 1127N 0.00 0.00 -6.72 0.39 3.07 -2.03 -3.43 114.58 105.86 2pga h GLU 1127Ca 0.05 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.40 2pga h GLU 1127Cb 0.24 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2pga h GLU 1127CO -0.00 0.05 0.47 0.12 -1.40 0.00 0.00 179.01 178.25 2pga s PHE 1128N -4.11 3.61 0.09 4.33 2.19 -0.45 -5.00 117.98 118.64 2pga s PHE 1128Ca -0.03 1.66 -0.28 0.00 0.33 0.00 0.00 56.93 58.61 2pga s PHE 1128Cb 0.12 -3.26 -0.06 0.00 -1.31 0.00 0.00 43.02 38.52 2pga s PHE 1128CO 0.52 -0.52 0.87 -1.25 1.83 0.00 0.00 175.22 176.68 2pga s PRO 1129N -0.85 4.61 -1.34 10.12 0.04 -1.26 -4.94 135.00 141.37 2pga s PRO 1129Ca 0.47 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 2pga s PRO 1129Cb -0.30 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 30.88 2pga s PRO 1129CO 0.37 0.26 2.18 0.00 0.04 0.00 0.00 177.00 179.85 2pga n ALA 1130N 2.74 5.17 -2.80 8.56 0.00 -1.26 -4.72 120.51 128.20 2pga n ALA 1130Ca -0.00 -3.78 -0.35 0.00 0.00 0.00 0.00 53.44 49.31 2pga n ALA 1130Cb 0.50 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.32 2pga n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pga s VAL 1131N 3.51 4.91 0.50 0.00 0.11 -1.26 -0.73 120.40 127.44 2pga s VAL 1131Ca 0.49 -0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 59.19 2pga s VAL 1131Cb 0.14 -3.18 -0.08 0.00 -1.53 0.00 0.00 36.38 31.73 2pga s VAL 1131CO -0.05 0.49 0.99 0.00 -3.33 0.00 0.00 175.10 173.19 2pga s ALA 1132N -1.08 3.00 0.34 1.54 0.00 0.09 -4.65 121.76 121.00 2pga s ALA 1132Ca 0.19 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2pga s ALA 1132Cb -0.12 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 2pga s ALA 1132CO 0.09 -0.24 1.35 0.34 0.00 0.00 0.00 175.76 177.30 2pga s ASP 1133N -2.76 6.67 0.15 0.00 -1.08 -0.00 -4.93 116.67 114.72 2pga s ASP 1133Ca 0.61 2.77 -0.12 0.00 -0.52 0.00 0.00 52.55 55.29 2pga s ASP 1133Cb -0.11 -2.65 0.02 0.00 -1.46 0.00 0.00 42.92 38.71 2pga s ASP 1133CO 0.27 -0.61 1.59 0.15 0.52 0.00 0.00 175.17 177.09 2pga h PHE 1134N 3.31 1.01 -0.56 -5.34 3.57 -1.96 -1.53 116.94 115.45 2pga h PHE 1134Ca -0.49 -0.19 -0.05 0.00 3.53 0.00 0.00 57.97 60.77 2pga h PHE 1134Cb 1.23 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2pga h PHE 1134CO 0.55 0.96 0.17 0.00 -2.23 0.00 0.00 178.31 177.75 2pga h ALA 1135N 0.92 0.74 -0.29 2.41 0.00 -1.96 0.02 119.26 121.09 2pga h ALA 1135Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2pga h ALA 1135Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pga h ALA 1135CO 0.04 0.41 0.10 0.00 0.00 0.00 0.00 179.25 179.80 2pga h THR 1137N 0.31 1.16 -0.28 0.00 2.02 -1.15 -0.81 112.91 114.17 2pga h THR 1137Ca 0.09 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.93 2pga h THR 1137Cb 0.22 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2pga h THR 1137CO -0.01 0.17 0.03 0.74 0.37 0.00 0.00 175.52 176.82 2pga h THR 1138N 0.65 0.83 -0.92 3.16 2.02 -0.86 -0.77 112.91 117.03 2pga h THR 1138Ca 0.17 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2pga h THR 1138Cb 0.02 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 2pga h THR 1138CO -0.03 0.02 0.54 0.00 0.37 0.00 0.00 175.52 176.42 2pga h ALA 1139N 1.22 1.23 -0.35 6.16 0.00 -0.65 -0.34 119.26 126.54 2pga h ALA 1139Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2pga h ALA 1139Cb 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2pga h ALA 1139CO -0.20 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.64 2pga h LEU 1140N 1.27 0.60 -0.28 0.00 3.38 -0.84 -0.40 115.31 119.03 2pga h LEU 1140Ca 0.33 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2pga h LEU 1140Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2pga h LEU 1140CO -0.06 0.76 0.16 0.58 0.09 0.00 0.00 178.44 179.96 2pga h VAL 1141N 0.42 1.12 -0.52 1.22 2.07 -0.81 -0.60 116.25 119.15 2pga h VAL 1141Ca 0.10 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2pga h VAL 1141Cb 0.45 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2pga h VAL 1141CO 0.02 0.12 0.24 -0.33 0.02 0.00 0.00 177.57 177.63 2pga h GLU 1142N 0.34 0.75 -0.50 1.57 5.08 -1.04 -2.46 114.58 118.31 2pga h GLU 1142Ca 0.10 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2pga h GLU 1142Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2pga h GLU 1142CO -0.02 0.63 0.04 0.00 -1.00 0.00 0.00 179.01 178.66 2pga h ALA 1143N 1.08 1.12 -0.71 3.43 0.00 -0.92 -1.02 119.26 122.25 2pga h ALA 1143Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2pga h ALA 1143Cb 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2pga h ALA 1143CO -0.02 0.57 0.47 0.00 0.00 0.00 0.00 179.25 180.27 2pga h ALA 1144N 1.27 1.56 -0.10 0.00 0.00 -0.78 -0.34 119.26 120.87 2pga h ALA 1144Ca 0.15 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2pga h ALA 1144Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pga h ALA 1144CO 0.01 0.37 -0.64 0.87 0.00 0.00 0.00 179.25 179.86 2pga h LYS 1145N 0.89 0.40 -0.36 0.00 1.57 -0.90 0.09 116.57 118.27 2pga h LYS 1145Ca 0.28 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2pga h LYS 1145Cb 0.01 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2pga h LYS 1145CO -0.07 0.91 -0.12 0.77 -0.57 0.00 0.00 179.45 180.37 2pga h SER 1146N 0.29 0.61 0.71 0.86 0.02 -0.37 -3.08 113.55 112.58 2pga h SER 1146Ca -0.01 -0.17 -0.26 0.00 -0.84 0.00 0.00 61.79 60.51 2pga h SER 1146Cb 1.19 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2pga h SER 1146CO 0.11 0.76 -1.26 0.40 -1.14 0.00 0.00 176.83 175.69 2pga h ILE 1147N 0.57 1.44 0.00 3.27 5.03 -1.03 -3.49 117.51 123.31 2pga h ILE 1147Ca 0.10 -3.10 0.00 0.00 -0.12 0.00 0.00 64.86 61.74 2pga h ILE 1147Cb 0.54 2.83 0.00 0.00 -3.03 0.00 0.00 36.82 37.16 2pga h ILE 1147CO 0.03 0.87 0.00 0.61 -0.68 0.00 0.00 178.15 178.98 2pga n GLY 1148N 1.50 1.64 3.89 5.37 0.00 -0.09 -5.10 105.19 112.40 2pga n GLY 1148Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2pga n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga s ALA 1149N -2.00 3.27 -0.35 4.61 0.00 -0.53 -5.02 121.76 121.75 2pga s ALA 1149Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 51.96 51.42 2pga s ALA 1149Cb 0.00 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.33 2pga s ALA 1149CO 0.00 -0.46 0.80 0.99 0.00 0.00 0.00 175.76 177.09 2pga s THR 1150N -2.89 4.74 -0.01 0.00 2.01 -1.26 -4.83 115.64 113.40 2pga s THR 1150Ca 0.51 0.99 0.07 0.00 0.31 0.00 0.00 61.69 63.57 2pga s THR 1150Cb -0.11 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2pga s THR 1150CO 0.47 -0.39 -0.24 -0.89 -0.69 0.00 0.00 174.62 172.88 2pga s THR 1151N 3.09 2.24 -0.05 -0.82 2.01 -1.26 -0.89 115.64 119.97 2pga s THR 1151Ca 0.32 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 61.28 2pga s THR 1151Cb -0.13 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 2pga s THR 1151CO 0.16 0.54 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.42 2pga s HIS 1152N -0.67 2.07 -0.13 4.92 3.76 -0.39 -4.96 115.29 119.89 2pga s HIS 1152Ca 0.11 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 2pga s HIS 1152Cb -0.10 -1.37 0.01 0.00 1.11 0.00 0.00 32.58 32.23 2pga s HIS 1152CO -0.00 -0.18 -0.22 0.08 -0.85 0.00 0.00 174.74 173.57 2pga s VAL 1153N -0.09 1.99 -2.96 -0.90 1.01 -1.26 -0.76 120.40 117.44 2pga s VAL 1153Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2pga s VAL 1153Cb -0.12 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2pga s VAL 1153CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2pga n GLY 1154N 3.94 -0.60 3.85 4.51 0.00 -0.71 -4.95 105.19 111.23 2pga n GLY 1154Ca -0.20 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2pga n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 1155N -3.80 5.09 0.01 1.61 1.01 -1.26 -0.95 120.40 122.11 2pga s VAL 1155Ca 0.00 0.71 0.08 0.00 0.00 0.00 0.00 61.98 62.78 2pga s VAL 1155Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2pga s VAL 1155CO 0.00 0.55 -0.25 -0.89 0.00 0.00 0.00 175.10 174.51 2pga s THR 1156N -1.12 2.00 -0.27 3.92 2.01 -0.92 -0.46 115.64 120.80 2pga s THR 1156Ca 0.24 -1.18 -0.17 0.00 0.31 0.00 0.00 61.69 60.88 2pga s THR 1156Cb -0.16 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 2pga s THR 1156CO 0.13 0.47 0.49 0.00 -0.69 0.00 0.00 174.62 175.02 2pga s ALA 1157N -0.67 3.57 -0.36 7.40 0.00 0.38 -0.35 121.76 131.72 2pga s ALA 1157Ca 0.10 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 2pga s ALA 1157Cb -0.10 -2.88 0.05 0.00 0.00 0.00 0.00 23.12 20.19 2pga s ALA 1157CO 0.00 -0.79 0.16 0.45 0.00 0.00 0.00 175.76 175.58 2pga s SER 1158N 1.59 5.45 -0.09 0.00 0.15 -0.56 -1.59 113.70 118.65 2pga s SER 1158Ca 0.20 -1.24 -0.01 0.00 0.70 0.00 0.00 55.95 55.60 2pga s SER 1158Cb -0.16 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2pga s SER 1158CO 0.10 -0.39 -0.01 -0.55 1.20 0.00 0.00 173.24 173.58 2pga s SER 1159N 1.60 5.11 0.00 5.45 0.15 0.06 -0.93 113.70 125.14 2pga s SER 1159Ca 0.00 0.10 0.20 0.00 0.70 0.00 0.00 55.95 56.95 2pga s SER 1159Cb -0.20 -1.43 1.03 0.00 -1.71 0.00 0.00 66.02 63.71 2pga s SER 1159CO 0.03 0.37 1.60 0.47 1.20 0.00 0.00 173.24 176.90 2pga n ASP 1160N 2.22 0.00 -4.21 5.45 10.43 -0.49 -4.34 116.55 125.61 2pga n ASP 1160Ca -0.18 -0.13 -0.15 0.00 2.57 0.00 0.00 54.79 56.90 2pga n ASP 1160Cb 0.53 -0.22 -0.11 0.00 1.84 0.00 0.00 41.12 43.16 2pga n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pga s THR 1161N -2.45 1.08 0.01 -3.53 -4.23 -1.26 -5.02 115.64 100.24 2pga s THR 1161Ca 0.21 -1.80 0.11 0.00 -1.18 0.00 0.00 61.69 59.02 2pga s THR 1161Cb 0.13 -1.56 -0.21 0.00 1.34 0.00 0.00 72.50 72.20 2pga s THR 1161CO 0.28 -0.61 0.91 0.15 -0.54 0.00 0.00 174.62 174.81 2pga h PHE 1162N 3.27 0.00 0.00 3.99 3.04 -1.97 -3.39 116.94 121.89 2pga h PHE 1162Ca -0.37 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.58 2pga h PHE 1162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2pga h PHE 1162CO 0.64 0.97 0.00 0.66 -2.02 0.00 0.00 178.31 178.56 2pga n TYR 1163N -3.15 0.00 0.09 0.41 4.02 -1.26 -4.33 117.16 112.95 2pga n TYR 1163Ca -0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.79 2pga n TYR 1163Cb 0.99 0.00 0.30 0.00 -0.02 0.00 0.00 39.34 40.61 2pga n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pga h PRO 1164N 0.00 0.28 0.00 -0.72 0.13 -1.88 -0.68 132.00 129.13 2pga h PRO 1164Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2pga h PRO 1164Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2pga h PRO 1164CO 0.00 0.51 0.00 0.78 -0.23 0.00 0.00 178.00 179.06 2pga h GLY 1165N 0.97 0.00 -1.98 1.56 0.00 -1.86 -0.24 103.07 101.52 2pga h GLY 1165Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 2pga h GLY 1165CO 0.04 0.00 0.02 -1.06 0.00 0.00 0.00 176.54 175.54 2pga n GLN 1166N -2.33 2.81 -4.12 4.80 6.02 -0.71 -4.90 117.38 118.94 2pga n GLN 1166Ca 0.01 -2.95 -0.31 0.00 -0.01 0.00 0.00 57.00 53.74 2pga n GLN 1166Cb 0.19 -1.89 -0.05 0.00 1.02 0.00 0.00 30.24 29.51 2pga n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pga n GLU 1167N -0.59 -1.76 -3.41 -1.09 2.13 -0.10 -4.92 120.64 110.89 2pga n GLU 1167Ca 0.27 0.23 -0.37 0.00 0.66 0.00 0.00 57.16 57.94 2pga n GLU 1167Cb 0.99 -3.85 -0.06 0.00 0.27 0.00 0.00 31.44 28.79 2pga n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2pga s ARG 1168N -7.00 4.25 -0.00 5.31 0.52 -0.34 -4.96 118.95 116.72 2pga s ARG 1168Ca 0.08 0.34 0.15 0.00 -0.52 0.00 0.00 55.73 55.77 2pga s ARG 1168Cb -0.04 -3.40 -0.16 0.00 0.52 0.00 0.00 34.95 31.87 2pga s ARG 1168CO 0.95 0.26 0.62 0.66 0.02 0.00 0.00 175.30 177.81 2pga n TYR 1169N 3.36 0.00 -1.37 -0.53 4.02 -1.26 -4.36 117.16 117.02 2pga n TYR 1169Ca -0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.41 2pga n TYR 1169Cb 0.52 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 2pga n TYR 1169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2pga n ASP 1170N -1.37 6.61 -3.92 7.72 5.75 -1.26 -4.24 116.55 125.84 2pga n ASP 1170Ca 0.03 -2.63 -0.18 0.00 -0.01 0.00 0.00 54.79 51.99 2pga n ASP 1170Cb 0.23 -1.52 -0.09 0.00 -1.03 0.00 0.00 41.12 38.71 2pga n ASP 1170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2pga s THR 1171N 2.75 0.26 0.18 2.12 -4.23 -1.26 -5.02 115.64 110.44 2pga s THR 1171Ca 0.59 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 2pga s THR 1171Cb 0.16 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.59 2pga s THR 1171CO -0.06 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 175.96 2pga h TYR 1172N 2.22 0.17 0.00 3.99 5.03 -1.99 -3.00 116.97 123.39 2pga h TYR 1172Ca -0.33 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 60.88 2pga h TYR 1172Cb 1.25 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.50 2pga h TYR 1172CO 1.08 0.01 -1.22 0.66 -1.32 0.00 0.00 178.16 177.37 2pga h SER 1173N 0.24 0.00 -0.50 -2.11 4.64 -1.97 -3.47 113.55 110.38 2pga h SER 1173Ca 0.24 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.34 2pga h SER 1173Cb 0.31 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.31 2pga h SER 1173CO -0.30 0.49 -0.19 0.61 -0.87 0.00 0.00 176.83 176.56 2pga n GLY 1174N 1.34 1.11 3.44 -0.77 0.00 -1.14 -4.99 105.19 104.19 2pga n GLY 1174Ca -0.07 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 2pga n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pga s ARG 1175N -2.71 1.58 -0.09 1.61 1.70 -1.26 -4.92 118.95 114.86 2pga s ARG 1175Ca 0.00 -1.44 0.02 0.00 -0.47 0.00 0.00 55.73 53.84 2pga s ARG 1175Cb 0.00 -1.91 0.01 0.00 -0.57 0.00 0.00 34.95 32.48 2pga s ARG 1175CO 0.00 0.42 -0.13 0.08 -1.08 0.00 0.00 175.30 174.59 2pga s VAL 1176N -1.52 1.26 0.63 4.99 1.01 -1.26 -4.91 120.40 120.60 2pga s VAL 1176Ca 0.20 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 2pga s VAL 1176Cb -0.09 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2pga s VAL 1176CO 0.10 0.39 1.00 0.55 0.00 0.00 0.00 175.10 177.14 2pga n VAL 1177N 4.09 3.84 -0.30 2.92 3.14 -1.26 -4.50 118.33 126.26 2pga n VAL 1177Ca -0.20 -0.48 0.09 0.00 -2.96 0.00 0.00 64.34 60.78 2pga n VAL 1177Cb 0.51 -1.18 0.21 0.00 -1.06 0.00 0.00 33.84 32.32 2pga n VAL 1177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2pga h ARG 1178N 0.34 0.07 -1.03 1.45 2.43 -2.00 0.36 114.38 116.01 2pga h ARG 1178Ca -0.49 -0.00 0.26 0.00 -0.81 0.00 0.00 59.98 58.94 2pga h ARG 1178Cb 1.36 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.80 2pga h ARG 1178CO 0.50 0.04 0.66 -0.09 -1.51 0.00 0.00 179.97 179.58 2pga h ARG 1179N 0.07 0.40 -0.00 0.20 2.43 -2.02 -2.50 114.38 112.96 2pga h ARG 1179Ca 0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2pga h ARG 1179Cb 0.92 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2pga h ARG 1179CO -0.79 0.26 -0.49 1.19 -1.51 0.00 0.00 179.97 178.64 2pga n PHE 1180N -4.62 0.00 -1.69 2.20 3.01 0.05 -4.75 117.46 111.66 2pga n PHE 1180Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.29 2pga n PHE 1180Cb 0.85 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.29 2pga n PHE 1180CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2pga n LYS 1181N -0.80 2.82 -0.94 -1.08 5.02 -0.82 -1.53 118.16 120.84 2pga n LYS 1181Ca 0.04 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 2pga n LYS 1181Cb 0.25 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.34 2pga n LYS 1181CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pga n GLY 1182N 4.24 0.54 0.17 0.72 0.00 -1.26 -4.91 105.19 104.68 2pga n GLY 1182Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2pga n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pga h SER 1183N 0.00 0.40 -0.71 1.61 4.64 -1.57 -2.96 113.55 114.96 2pga h SER 1183Ca 0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2pga h SER 1183Cb 0.14 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2pga h SER 1183CO 0.00 0.98 0.42 -0.03 -0.87 0.00 0.00 176.83 177.33 2pga h MET 1184N 0.24 0.97 -0.48 4.77 -1.53 -1.91 -0.73 114.93 116.26 2pga h MET 1184Ca -0.02 -0.10 -0.06 0.00 -3.44 0.00 0.00 59.70 56.08 2pga h MET 1184Cb 1.26 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 32.09 2pga h MET 1184CO 0.12 0.70 0.05 1.49 0.14 0.00 0.00 176.91 179.41 2pga h GLU 1185N 0.97 0.76 0.07 0.39 4.81 -1.95 -0.35 114.58 119.28 2pga h GLU 1185Ca 0.25 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2pga h GLU 1185Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2pga h GLU 1185CO -0.05 0.74 -0.03 0.93 -0.73 0.00 0.00 179.01 179.87 2pga h GLU 1186N 0.72 -0.09 -0.80 1.92 5.08 -1.25 -1.47 114.58 118.69 2pga h GLU 1186Ca 0.15 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2pga h GLU 1186Cb 0.37 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2pga h GLU 1186CO 0.01 0.02 0.40 -1.49 -1.00 0.00 0.00 179.01 176.95 2pga h TRP 1187N -0.18 1.12 -0.29 4.33 -0.00 -0.83 -1.64 115.95 118.47 2pga h TRP 1187Ca -0.01 -0.04 0.04 0.00 -0.00 0.00 0.00 58.89 58.88 2pga h TRP 1187Cb 0.15 -0.35 -0.04 0.00 -0.00 0.00 0.00 29.16 28.92 2pga h TRP 1187CO -0.05 0.80 0.06 1.96 -0.00 0.00 0.00 178.44 181.22 2pga h GLN 1188N 1.12 0.17 0.00 0.49 4.20 -0.95 -0.71 115.11 119.43 2pga h GLN 1188Ca 0.28 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2pga h GLN 1188Cb 0.08 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2pga h GLN 1188CO -0.04 0.11 -0.13 0.00 -0.67 0.00 0.00 178.83 178.10 2pga h ALA 1189N 1.20 1.69 -0.12 3.87 0.00 -0.78 -1.08 119.26 124.05 2pga h ALA 1189Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pga h ALA 1189Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pga h ALA 1189CO -0.17 0.16 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 2pga n MET 1190N -4.25 1.52 -0.85 0.00 2.81 -0.66 -4.91 117.12 110.78 2pga n MET 1190Ca -0.03 -0.79 0.00 0.00 -1.81 0.00 0.00 57.70 55.08 2pga n MET 1190Cb 0.20 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2pga n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pga n GLY 1191N 1.03 0.59 3.74 3.03 0.00 -0.41 -5.01 105.19 108.16 2pga n GLY 1191Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2pga n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 1192N -2.05 2.32 0.03 1.61 1.01 -0.35 -4.61 120.40 118.36 2pga s VAL 1192Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 2pga s VAL 1192Cb 0.00 -3.17 -0.33 0.00 0.00 0.00 0.00 36.38 32.88 2pga s VAL 1192CO 0.00 0.04 0.99 0.24 0.00 0.00 0.00 175.10 176.36 2pga h MET 1193N 5.40 0.45 -2.36 2.72 0.00 -1.09 -3.42 114.93 116.63 2pga h MET 1193Ca -0.46 -0.78 0.17 0.00 0.00 0.00 0.00 59.70 58.64 2pga h MET 1193Cb 1.21 0.29 -0.08 0.00 0.00 0.00 0.00 31.60 33.02 2pga h MET 1193CO 0.82 1.37 0.48 0.54 0.00 0.00 0.00 176.91 180.12 2pga s ASN 1194N -7.43 -0.19 -0.02 1.22 4.22 -1.26 -0.93 114.94 110.55 2pga s ASN 1194Ca -0.09 -0.38 0.03 0.00 -2.14 0.00 0.00 52.86 50.28 2pga s ASN 1194Cb 0.05 0.49 -0.03 0.00 1.28 0.00 0.00 41.25 43.04 2pga s ASN 1194CO 0.92 -0.90 -0.07 -0.31 -2.04 0.00 0.00 177.10 174.70 2pga s TYR 1195N -3.30 2.89 0.00 1.54 2.02 -1.14 -0.47 117.35 118.90 2pga s TYR 1195Ca 0.12 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 2pga s TYR 1195Cb -0.01 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 2pga s TYR 1195CO 0.02 0.36 0.00 -0.85 -1.57 0.00 0.00 175.55 173.50 2pga n GLU 1196N 1.74 0.00 -0.01 -0.62 -0.00 -0.62 -4.14 120.64 116.99 2pga n GLU 1196Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 2pga n GLU 1196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2pga n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2pga n MET 1197N 0.00 1.24 0.00 3.44 2.81 -1.26 -0.76 117.12 122.59 2pga n MET 1197Ca 0.00 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 2pga n MET 1197Cb 0.00 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 2pga n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2pga n GLU 1198N -0.23 2.75 -0.07 0.03 4.71 -1.26 -3.32 120.64 123.24 2pga n GLU 1198Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 2pga n GLU 1198Cb 0.41 -0.74 0.11 0.00 -1.01 0.00 0.00 31.44 30.20 2pga n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2pga h SER 1199N 0.00 0.75 -0.47 1.62 4.64 -1.94 -1.57 113.55 116.57 2pga h SER 1199Ca 0.00 -0.26 0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2pga h SER 1199Cb 0.15 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.98 2pga h SER 1199CO 0.00 0.95 0.12 0.00 -0.87 0.00 0.00 176.83 177.03 2pga h ALA 1200N 1.11 0.54 0.07 5.18 0.00 -1.86 0.25 119.26 124.54 2pga h ALA 1200Ca 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pga h ALA 1200Cb 0.71 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2pga h ALA 1200CO 0.05 -0.28 -0.03 1.15 0.00 0.00 0.00 179.25 180.14 2pga h THR 1201N 0.27 1.17 -0.05 0.00 2.02 -1.88 -1.91 112.91 112.54 2pga h THR 1201Ca 0.23 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.57 2pga h THR 1201Cb 0.27 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 2pga h THR 1201CO -0.27 0.22 -0.29 0.25 0.37 0.00 0.00 175.52 175.79 2pga h LEU 1202N -0.49 -0.88 -0.43 2.58 5.85 -1.04 -0.45 115.31 120.45 2pga h LEU 1202Ca -0.01 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2pga h LEU 1202Cb 0.42 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2pga h LEU 1202CO 0.02 -0.35 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.46 2pga h LEU 1203N -0.41 0.94 -0.13 2.25 3.38 -0.56 -1.88 115.31 118.90 2pga h LEU 1203Ca 0.08 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2pga h LEU 1203Cb 0.52 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2pga h LEU 1203CO -0.28 1.15 0.02 0.74 0.09 0.00 0.00 178.44 180.16 2pga h THR 1204N 0.74 1.22 -0.01 0.22 2.02 -1.24 -0.19 112.91 115.68 2pga h THR 1204Ca 0.09 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 2pga h THR 1204Cb 0.80 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2pga h THR 1204CO 0.07 0.21 -0.33 0.00 0.37 0.00 0.00 175.52 175.83 2pga h MET 1205N -0.00 0.01 0.01 6.66 -0.00 -1.02 -1.72 114.93 118.86 2pga h MET 1205Ca 0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.72 2pga h MET 1205Cb 0.30 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 2pga h MET 1205CO 0.00 0.34 -0.08 0.00 -0.00 0.00 0.00 176.91 177.18 2pga h ALA 1207N 0.13 1.69 -0.34 0.00 0.00 -0.91 -1.46 119.26 118.36 2pga h ALA 1207Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pga h ALA 1207Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2pga h ALA 1207CO 0.01 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 2pga n SER 1208N -4.11 2.96 -0.35 0.00 3.41 -0.66 -4.32 113.62 110.56 2pga n SER 1208Ca -0.03 -1.92 0.01 0.00 -0.26 0.00 0.00 58.87 56.67 2pga n SER 1208Cb 0.10 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 2pga n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pga n GLN 1209N 1.17 0.26 -1.61 4.33 6.02 -0.71 -5.02 117.38 121.83 2pga n GLN 1209Ca 0.18 -1.15 -0.07 0.00 -0.01 0.00 0.00 57.00 55.96 2pga n GLN 1209Cb 0.53 -0.65 -0.02 0.00 1.02 0.00 0.00 30.24 31.12 2pga n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pga n GLY 1210N -0.21 0.55 3.66 1.08 0.00 -1.03 -5.02 105.19 104.22 2pga n GLY 1210Ca 0.02 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 2pga n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 1211N -1.74 3.38 -0.11 0.99 1.43 -0.63 -5.05 118.68 116.95 2pga s LEU 1211Ca 0.00 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 2pga s LEU 1211Cb 0.00 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2pga s LEU 1211CO 0.00 0.21 0.35 -0.13 0.23 0.00 0.00 176.35 177.01 2pga s ARG 1212N -2.05 4.15 0.00 1.70 0.52 -0.21 -3.97 118.95 119.09 2pga s ARG 1212Ca 0.23 0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.69 2pga s ARG 1212Cb -0.11 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 2pga s ARG 1212CO 0.15 0.36 -0.03 0.00 0.02 0.00 0.00 175.30 175.79 2pga s ALA 1213N 0.06 0.27 0.21 2.13 0.00 -1.26 -0.02 121.76 123.15 2pga s ALA 1213Ca 0.20 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.96 2pga s ALA 1213Cb -0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2pga s ALA 1213CO 0.08 0.04 0.02 0.20 0.00 0.00 0.00 175.76 176.10 2pga s GLY 1214N -0.33 1.43 -0.07 0.00 0.00 -0.15 -0.82 107.32 107.38 2pga s GLY 1214Ca -0.01 -1.70 -0.03 0.00 0.00 0.00 0.00 44.72 42.97 2pga s GLY 1214CO -0.00 -1.58 0.15 -0.29 0.00 0.00 0.00 173.10 171.38 2pga s MET 1215N -3.93 0.08 0.03 2.90 -2.45 -1.26 -0.88 119.30 113.79 2pga s MET 1215Ca 0.29 0.40 0.03 0.00 -1.25 0.00 0.00 55.69 55.16 2pga s MET 1215Cb 0.06 -0.19 -0.02 0.00 1.25 0.00 0.00 34.83 35.93 2pga s MET 1215CO 0.08 -0.19 -0.09 0.54 1.05 0.00 0.00 175.02 176.40 2pga s VAL 1216N 1.35 0.71 0.01 10.11 0.11 -0.50 -1.79 120.40 130.40 2pga s VAL 1216Ca -0.07 -0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 58.01 2pga s VAL 1216Cb -0.12 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 2pga s VAL 1216CO -0.06 -0.14 0.21 0.00 -3.33 0.00 0.00 175.10 171.77 2pga s ALA 1217N -0.93 -0.48 -0.05 1.54 0.00 -0.18 -1.26 121.76 120.40 2pga s ALA 1217Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.78 2pga s ALA 1217Cb -0.07 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2pga s ALA 1217CO 0.01 -0.26 0.33 0.20 0.00 0.00 0.00 175.76 176.03 2pga s GLY 1218N -1.53 2.36 -0.41 0.00 0.00 -0.44 -0.46 107.32 106.84 2pga s GLY 1218Ca -0.12 -0.35 -0.23 0.00 0.00 0.00 0.00 44.72 44.01 2pga s GLY 1218CO 0.01 0.07 0.80 0.14 0.00 0.00 0.00 173.10 174.12 2pga s VAL 1219N -0.82 4.67 -1.42 1.40 1.01 0.02 -1.20 120.40 124.05 2pga s VAL 1219Ca 0.21 0.69 0.12 0.00 0.00 0.00 0.00 61.98 62.99 2pga s VAL 1219Cb -0.15 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 32.03 2pga s VAL 1219CO 0.10 -0.59 0.85 2.30 0.00 0.00 0.00 175.10 177.76 2pga n ILE 1220N 6.00 0.00 -3.53 2.22 -5.35 -0.87 0.13 119.36 117.96 2pga n ILE 1220Ca 0.03 -0.49 -0.09 0.00 -0.27 0.00 0.00 62.75 61.93 2pga n ILE 1220Cb 0.48 1.23 -0.03 0.00 -1.74 0.00 0.00 39.64 39.59 2pga n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2pga s VAL 1221N -1.02 0.00 -0.12 7.28 0.11 -1.24 -4.61 120.40 120.79 2pga s VAL 1221Ca 0.13 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 2pga s VAL 1221Cb 0.10 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2pga s VAL 1221CO 0.16 0.00 -0.12 0.21 -3.33 0.00 0.00 175.10 172.01 2pga s ASN 1222N -2.02 2.43 0.60 3.54 3.84 -1.26 -1.21 114.94 120.86 2pga s ASN 1222Ca 0.02 -0.41 0.40 0.00 0.21 0.00 0.00 52.86 53.09 2pga s ASN 1222Cb -0.01 -1.04 2.12 0.00 -0.55 0.00 0.00 41.25 41.77 2pga s ASN 1222CO -0.05 -0.05 2.22 0.03 -2.79 0.00 0.00 177.10 176.46 2pga h ARG 1223N 7.88 0.00 0.00 0.43 2.47 -1.34 -2.59 114.38 121.23 2pga h ARG 1223Ca -0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2pga h ARG 1223Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2pga h ARG 1223CO 0.48 0.00 -1.05 0.25 0.56 0.00 0.00 179.97 180.21 2pga n THR 1224N -2.96 0.18 -3.86 2.04 -2.24 -1.26 -4.94 114.28 101.23 2pga n THR 1224Ca -0.02 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 2pga n THR 1224Cb 0.10 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 2pga n THR 1224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pga s GLN 1225N -3.21 3.46 0.04 -0.78 -0.21 -0.98 -5.03 119.66 112.96 2pga s GLN 1225Ca 0.03 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 54.90 2pga s GLN 1225Cb 0.14 -2.91 -0.25 0.00 1.00 0.00 0.00 33.01 30.99 2pga s GLN 1225CO 0.80 0.47 0.99 1.96 -2.12 0.00 0.00 175.29 177.39 2pga h GLN 1226N 1.93 0.12 -5.87 2.91 4.20 -1.92 -3.47 115.11 113.01 2pga h GLN 1226Ca -0.49 -0.20 -0.59 0.00 0.06 0.00 0.00 58.65 57.43 2pga h GLN 1226Cb 1.20 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.99 2pga h GLN 1226CO 0.67 0.96 -0.17 -1.21 -0.67 0.00 0.00 178.83 178.42 2pga s GLU 1227N -2.65 4.16 -0.17 1.46 2.02 -1.26 -5.07 118.70 117.19 2pga s GLU 1227Ca -0.04 0.44 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 2pga s GLU 1227Cb 0.08 -3.33 -0.00 0.00 0.10 0.00 0.00 34.13 30.98 2pga s GLU 1227CO 0.84 0.42 -0.13 0.42 0.02 0.00 0.00 175.26 176.82 2pga s ILE 1228N -0.21 2.79 0.66 -1.63 1.01 -1.26 -4.83 121.20 117.74 2pga s ILE 1228Ca 0.25 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 2pga s ILE 1228Cb -0.16 -2.20 -0.10 0.00 0.01 0.00 0.00 42.46 40.02 2pga s ILE 1228CO 0.12 0.50 0.15 -0.81 0.00 0.00 0.00 174.94 174.90 2pga n PRO 1229N 4.20 0.20 0.00 2.79 -0.04 -1.26 -4.96 135.00 135.93 2pga n PRO 1229Ca -0.19 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2pga n PRO 1229Cb 0.51 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2pga n PRO 1229CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pga n ASN 1230N 1.20 -0.86 -0.31 3.54 6.94 -1.26 -4.45 115.26 120.06 2pga n ASN 1230Ca 0.08 -0.19 0.29 0.00 -0.02 0.00 0.00 54.58 54.74 2pga n ASN 1230Cb 0.49 0.00 0.53 0.00 -2.36 0.00 0.00 39.78 38.45 2pga n ASN 1230CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pga n ALA 1231N -3.00 0.93 -2.58 -2.53 0.00 -1.26 -0.92 120.51 111.16 2pga n ALA 1231Ca 0.00 0.97 -0.41 0.00 0.00 0.00 0.00 53.44 54.00 2pga n ALA 1231Cb 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.51 2pga n ALA 1231CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pga n GLU 1232N -5.17 4.94 -0.20 0.00 0.28 -1.26 -4.75 120.64 114.48 2pga n GLU 1232Ca 0.35 -4.33 -0.03 0.00 -0.16 0.00 0.00 57.16 52.99 2pga n GLU 1232Cb 1.18 -2.54 0.08 0.00 1.43 0.00 0.00 31.44 31.58 2pga n GLU 1232CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2pga h THR 1233N 2.68 0.96 0.00 3.84 1.35 -1.24 -3.31 112.91 117.18 2pga h THR 1233Ca 0.48 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 66.13 2pga h THR 1233Cb 0.41 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2pga h THR 1233CO 1.31 0.11 -0.00 0.24 -0.25 0.00 0.00 175.52 176.93 2pga h MET 1234N 0.60 -0.00 0.00 4.72 2.86 -1.85 -3.42 114.93 117.84 2pga h MET 1234Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2pga h MET 1234Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2pga h MET 1234CO -0.17 -0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.43 2pga n LYS 1235N -2.68 0.00 -0.08 1.72 4.76 -1.25 0.19 118.16 120.83 2pga n LYS 1235Ca -0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2pga n LYS 1235Cb 0.00 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.26 2pga n LYS 1235CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2pga h GLN 1236N 0.00 0.76 -0.02 1.97 4.20 -1.86 0.11 115.11 120.28 2pga h GLN 1236Ca 0.00 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.35 2pga h GLN 1236Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2pga h GLN 1236CO 0.00 0.96 -0.05 1.15 -0.67 0.00 0.00 178.83 180.22 2pga h THR 1237N 0.65 1.48 -0.49 -0.54 2.02 0.18 -2.48 112.91 113.74 2pga h THR 1237Ca 0.08 -1.50 0.10 0.00 0.77 0.00 0.00 66.41 65.86 2pga h THR 1237Cb 0.82 2.44 -0.10 0.00 -1.74 0.00 0.00 68.15 69.58 2pga h THR 1237CO 0.07 0.40 -0.15 -0.08 0.37 0.00 0.00 175.52 176.12 2pga h GLU 1238N -0.53 -0.04 -0.96 6.66 4.81 -0.10 -0.74 114.58 123.69 2pga h GLU 1238Ca -0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2pga h GLU 1238Cb 0.68 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.99 2pga h GLU 1238CO 0.01 -0.03 0.62 0.77 -0.73 0.00 0.00 179.01 179.65 2pga h SER 1239N -0.04 0.91 0.15 1.04 0.02 -0.78 -0.44 113.55 114.40 2pga h SER 1239Ca 0.23 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2pga h SER 1239Cb 0.40 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2pga h SER 1239CO -0.52 0.52 -0.07 -0.74 -1.14 0.00 0.00 176.83 174.88 2pga h HIS 1240N 1.00 -0.19 -0.66 3.45 2.76 -0.70 -1.00 115.15 119.82 2pga h HIS 1240Ca 0.45 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.57 2pga h HIS 1240Cb 0.39 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 2pga h HIS 1240CO -0.00 0.02 0.21 0.00 -1.30 0.00 0.00 177.93 176.86 2pga h ALA 1241N 0.46 1.14 -0.45 5.26 0.00 -0.77 -2.00 119.26 122.90 2pga h ALA 1241Ca -0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2pga h ALA 1241Cb 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2pga h ALA 1241CO 0.03 0.60 0.06 0.28 0.00 0.00 0.00 179.25 180.22 2pga h VAL 1242N 0.96 1.25 -0.82 0.00 2.07 -0.99 -0.73 116.25 117.99 2pga h VAL 1242Ca 0.22 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2pga h VAL 1242Cb 0.26 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2pga h VAL 1242CO -0.01 0.32 0.54 0.50 0.02 0.00 0.00 177.57 178.94 2pga h LYS 1243N 0.60 1.04 -0.35 1.57 1.63 -0.97 -2.38 116.57 117.72 2pga h LYS 1243Ca 0.13 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.73 2pga h LYS 1243Cb 0.40 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 2pga h LYS 1243CO 0.01 0.69 -0.33 0.82 -3.45 0.00 0.00 179.45 177.19 2pga h ILE 1244N 1.07 1.28 -0.24 2.00 2.04 -0.82 -1.50 117.51 121.35 2pga h ILE 1244Ca 0.31 -1.49 -0.09 0.00 1.00 0.00 0.00 64.86 64.58 2pga h ILE 1244Cb -0.07 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2pga h ILE 1244CO -0.08 0.49 -0.25 1.62 0.00 0.00 0.00 178.15 179.94 2pga h VAL 1245N 0.62 1.26 -0.20 1.67 3.04 -0.89 0.77 116.25 122.51 2pga h VAL 1245Ca 0.06 -1.25 -0.07 0.00 -1.01 0.00 0.00 66.70 64.43 2pga h VAL 1245Cb 0.91 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2pga h VAL 1245CO 0.08 0.39 -0.15 0.58 -1.01 0.00 0.00 177.57 177.46 2pga h VAL 1246N 0.40 1.32 -0.64 1.51 2.07 -1.38 -1.21 116.25 118.32 2pga h VAL 1246Ca 0.06 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2pga h VAL 1246Cb 0.65 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2pga h VAL 1246CO 0.05 0.39 0.31 -0.08 0.02 0.00 0.00 177.57 178.25 2pga h GLU 1247N 0.14 0.91 -0.43 1.57 4.57 -1.03 -2.33 114.58 117.97 2pga h GLU 1247Ca 0.04 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 2pga h GLU 1247Cb 0.68 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2pga h GLU 1247CO 0.04 0.70 -0.05 0.00 -1.18 0.00 0.00 179.01 178.52 2pga h ALA 1248N 1.43 0.59 -0.91 2.92 0.00 -0.75 -2.72 119.26 119.82 2pga h ALA 1248Ca 0.22 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.98 2pga h ALA 1248Cb 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2pga h ALA 1248CO -0.03 0.43 0.59 0.00 0.00 0.00 0.00 179.25 180.24 2pga h ALA 1249N 0.88 1.82 -0.84 0.00 0.00 -0.71 -0.57 119.26 119.84 2pga h ALA 1249Ca 0.12 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.20 2pga h ALA 1249Cb 0.57 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2pga h ALA 1249CO 0.03 -0.08 0.55 0.00 0.00 0.00 0.00 179.25 179.75 2pga h ARG 1250N 0.70 0.54 -0.00 0.00 3.08 -1.10 -1.06 114.38 116.54 2pga h ARG 1250Ca 0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2pga h ARG 1250Cb 0.76 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2pga h ARG 1250CO -0.22 0.35 -0.13 0.54 -1.07 0.00 0.00 179.97 179.44 2pga n ARG 1251N -4.53 0.51 -0.11 0.04 1.74 -0.23 -3.81 116.66 110.28 2pga n ARG 1251Ca 0.16 -0.17 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2pga n ARG 1251Cb 0.52 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.57 2pga n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pga n LEU 1252N -1.10 2.52 -0.18 0.55 4.77 -0.40 -5.05 117.00 118.10 2pga n LEU 1252Ca 0.12 -1.67 0.15 0.00 -0.03 0.00 0.00 56.01 54.58 2pga n LEU 1252Cb 0.29 -0.14 0.79 0.00 -2.33 0.00 0.00 43.42 42.02 2pga n LEU 1252CO 0.25 0.60 1.02 0.18 -1.33 0.00 0.00 177.39 178.11