#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oec n LYS 1003N 0.00 -0.59 -3.72 4.33 5.02 -1.26 -5.11 118.16 116.84 2oec n LYS 1003Ca 0.00 0.90 -0.13 0.00 -2.02 0.00 0.00 58.31 57.06 2oec n LYS 1003Cb 0.00 -2.48 -0.10 0.00 -0.02 0.00 0.00 35.03 32.44 2oec n LYS 1003CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2oec s SER 1004N -1.33 -0.47 0.00 4.39 0.15 -1.26 -4.55 113.70 110.63 2oec s SER 1004Ca 0.06 0.90 0.26 0.00 0.70 0.00 0.00 55.95 57.87 2oec s SER 1004Cb -0.02 0.92 0.75 0.00 -1.71 0.00 0.00 66.02 65.96 2oec s SER 1004CO 0.18 -0.17 1.56 0.47 1.20 0.00 0.00 173.24 176.49 2oec n ASP 1005N 2.78 1.04 -4.23 5.45 8.00 0.83 -4.92 116.55 125.50 2oec n ASP 1005Ca -0.14 -0.90 -0.14 0.00 0.71 0.00 0.00 54.79 54.33 2oec n ASP 1005Cb 0.57 0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 41.70 2oec n ASP 1005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2oec s VAL 1006N -2.50 1.06 0.15 2.53 -7.23 -1.24 -5.06 120.40 108.11 2oec s VAL 1006Ca 0.24 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.37 2oec s VAL 1006Cb 0.19 -1.75 -0.11 0.00 0.56 0.00 0.00 36.38 35.28 2oec s VAL 1006CO 0.52 -0.73 1.40 0.15 -0.31 0.00 0.00 175.10 176.13 2oec h PHE 1007N 2.94 0.83 0.00 2.82 3.57 -1.95 -3.38 116.94 121.77 2oec h PHE 1007Ca -0.37 -0.34 -0.25 0.00 3.53 0.00 0.00 57.97 60.54 2oec h PHE 1007Cb 1.19 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2oec h PHE 1007CO 0.64 1.13 -1.90 0.72 -2.23 0.00 0.00 178.31 176.67 2oec n HIS 1008N -3.92 0.00 0.08 0.41 8.25 -1.26 -4.74 115.22 114.04 2oec n HIS 1008Ca -0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.39 2oec n HIS 1008Cb 0.69 -0.59 0.23 0.00 1.12 0.00 0.00 29.99 31.43 2oec n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2oec h LEU 1009N -0.19 0.29 -0.75 2.41 3.38 -1.92 -3.44 115.31 115.08 2oec h LEU 1009Ca -0.37 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 2oec h LEU 1009Cb 1.48 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 42.17 2oec h LEU 1009CO -0.12 0.64 -0.13 0.61 0.09 0.00 0.00 178.44 179.53 2oec n GLY 1010N -0.26 0.59 3.30 0.83 0.00 -1.26 -4.61 105.19 103.78 2oec n GLY 1010Ca -0.01 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 2oec n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oec s LEU 1011N -2.14 2.31 0.40 0.99 1.43 -1.26 -4.80 118.68 115.61 2oec s LEU 1011Ca 0.10 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.57 2oec s LEU 1011Cb -0.05 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 2oec s LEU 1011CO 0.13 0.06 0.18 0.42 0.23 0.00 0.00 176.35 177.37 2oec s THR 1012N -1.23 2.47 0.26 5.49 -4.23 -1.26 -0.12 115.64 117.02 2oec s THR 1012Ca 0.08 -1.68 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 2oec s THR 1012Cb -0.10 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.93 2oec s THR 1012CO 0.05 -0.04 1.82 0.11 -0.54 0.00 0.00 174.62 176.02 2oec h LYS 1013N 1.43 1.01 -0.69 3.99 1.57 -1.97 -2.41 116.57 119.50 2oec h LYS 1013Ca -0.43 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.24 2oec h LYS 1013Cb 1.25 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2oec h LYS 1013CO 0.68 0.84 0.46 -0.97 -0.57 0.00 0.00 179.45 179.88 2oec h ASN 1014N 0.99 0.59 -0.95 0.86 -1.24 -1.96 -0.84 115.58 113.03 2oec h ASN 1014Ca 0.23 0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.35 2oec h ASN 1014Cb 0.22 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.08 2oec h ASN 1014CO -0.02 0.38 0.61 0.44 -1.29 0.00 0.00 177.43 177.55 2oec h ASP 1015N 0.67 0.87 0.86 1.15 3.32 -1.83 -1.90 116.42 119.55 2oec h ASP 1015Ca 0.30 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 2oec h ASP 1015Cb 0.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2oec h ASP 1015CO -0.10 0.49 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.55 2oec h LEU 1016N 0.95 0.00 -1.23 1.55 4.07 -1.19 -3.47 115.31 115.98 2oec h LEU 1016Ca 0.45 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.93 2oec h LEU 1016Cb 0.44 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.12 2oec h LEU 1016CO -0.21 0.29 -0.80 0.00 -1.08 0.00 0.00 178.44 176.64 2oec n GLN 1017N -3.48 -4.74 -0.49 1.13 1.13 -0.71 -1.48 117.38 108.74 2oec n GLN 1017Ca -0.00 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.60 2oec n GLN 1017Cb 0.46 -5.26 0.00 0.00 0.11 0.00 0.00 30.24 25.55 2oec n GLN 1017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2oec n GLY 1018N -1.65 0.95 3.71 1.08 0.00 -1.26 -4.65 105.19 103.36 2oec n GLY 1018Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2oec n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec n ALA 1019N -0.34 1.38 -0.22 4.61 0.00 -0.55 -4.89 120.51 120.50 2oec n ALA 1019Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2oec n ALA 1019Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2oec n ALA 1019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2oec n GLN 1020N 0.28 1.53 -4.87 0.00 6.02 -1.26 -4.36 117.38 114.73 2oec n GLN 1020Ca 0.05 -0.17 -0.26 0.00 -0.01 0.00 0.00 57.00 56.62 2oec n GLN 1020Cb 0.38 -0.58 -0.16 0.00 1.02 0.00 0.00 30.24 30.90 2oec n GLN 1020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2oec s LEU 1021N -0.53 1.97 -0.03 1.08 0.20 -1.26 -0.43 118.68 119.67 2oec s LEU 1021Ca 0.00 -0.35 0.06 0.00 0.69 0.00 0.00 54.13 54.53 2oec s LEU 1021Cb 0.00 -0.98 -0.01 0.00 -0.43 0.00 0.00 46.19 44.77 2oec s LEU 1021CO 0.00 0.19 -0.22 0.00 -0.29 0.00 0.00 176.35 176.02 2oec s ALA 1022N -0.16 1.87 -0.17 5.97 0.00 -0.34 -1.94 121.76 126.99 2oec s ALA 1022Ca 0.01 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 2oec s ALA 1022Cb -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2oec s ALA 1022CO 0.01 0.42 0.45 0.42 0.00 0.00 0.00 175.76 177.05 2oec s ILE 1023N -0.34 5.18 -0.53 0.00 1.01 0.71 -1.24 121.20 125.98 2oec s ILE 1023Ca 0.04 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.57 2oec s ILE 1023Cb -0.10 -3.78 0.15 0.00 0.01 0.00 0.00 42.46 38.74 2oec s ILE 1023CO 0.01 0.27 0.34 0.68 0.00 0.00 0.00 174.94 176.24 2oec s VAL 1024N 1.07 1.88 0.77 2.92 -7.23 -0.04 -1.10 120.40 118.66 2oec s VAL 1024Ca 0.23 -3.24 -0.12 0.00 -1.81 0.00 0.00 61.98 57.04 2oec s VAL 1024Cb -0.15 -2.28 0.06 0.00 0.56 0.00 0.00 36.38 34.57 2oec s VAL 1024CO 0.09 -0.97 1.15 -2.16 -0.31 0.00 0.00 175.10 172.89 2oec s PRO 1025N -0.37 2.27 -0.09 4.82 0.04 -1.24 -3.85 135.00 136.57 2oec s PRO 1025Ca 0.22 0.22 -0.20 0.00 0.04 0.00 0.00 61.00 61.29 2oec s PRO 1025Cb -0.13 -1.98 -0.28 0.00 0.04 0.00 0.00 34.50 32.15 2oec s PRO 1025CO -0.09 -1.40 0.69 0.78 0.04 0.00 0.00 177.00 177.02 2oec h GLY 1026N -0.92 0.25 -5.09 0.56 0.00 -1.85 -0.31 103.07 95.70 2oec h GLY 1026Ca -0.46 -0.63 -0.58 0.00 0.00 0.00 0.00 47.33 45.66 2oec h GLY 1026CO 0.65 0.55 0.82 -0.35 0.00 0.00 0.00 176.54 178.22 2oec s ASP 1027N -6.90 7.07 0.37 0.19 -1.08 -1.26 -1.19 116.67 113.87 2oec s ASP 1027Ca -0.18 1.45 0.12 0.00 -0.52 0.00 0.00 52.55 53.41 2oec s ASP 1027Cb 0.02 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.85 2oec s ASP 1027CO 0.77 -0.69 1.83 -0.65 0.52 0.00 0.00 175.17 176.95 2oec h PRO 1028N 7.61 0.58 0.00 4.34 0.11 -1.89 0.08 132.00 142.82 2oec h PRO 1028Ca -0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2oec h PRO 1028Cb 1.07 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2oec h PRO 1028CO 0.98 0.38 0.00 1.49 -0.21 0.00 0.00 178.00 180.64 2oec h GLU 1029N 0.60 0.00 0.00 1.05 4.81 -1.96 -2.90 114.58 116.18 2oec h GLU 1029Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2oec h GLU 1029Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2oec h GLU 1029CO -0.25 0.00 -0.40 0.54 -0.73 0.00 0.00 179.01 178.17 2oec n ARG 1030N -2.91 0.02 0.17 1.92 1.74 0.01 -4.18 116.66 113.43 2oec n ARG 1030Ca 0.01 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 2oec n ARG 1030Cb 0.29 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.13 2oec n ARG 1030CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2oec h VAL 1031N 0.00 0.74 -0.97 1.55 2.07 -1.54 -2.33 116.25 115.77 2oec h VAL 1031Ca 0.00 -0.19 0.12 0.00 0.82 0.00 0.00 66.70 67.44 2oec h VAL 1031Cb 0.52 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 2oec h VAL 1031CO 0.00 0.04 0.60 -0.08 0.02 0.00 0.00 177.57 178.15 2oec h GLU 1032N -0.49 0.91 0.00 1.57 4.81 -1.78 -1.47 114.58 118.13 2oec h GLU 1032Ca -0.04 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2oec h GLU 1032Cb 0.36 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2oec h GLU 1032CO 0.06 0.60 -0.57 1.57 -0.73 0.00 0.00 179.01 179.94 2oec h LYS 1033N 0.94 0.00 -0.07 1.92 2.10 -1.73 -1.87 116.57 117.86 2oec h LYS 1033Ca 0.48 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 59.02 2oec h LYS 1033Cb 0.49 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.82 2oec h LYS 1033CO -0.27 0.57 -0.40 0.82 -2.00 0.00 0.00 179.45 178.17 2oec h ILE 1034N 0.00 1.41 -0.07 0.07 2.04 -1.01 -3.09 117.51 116.86 2oec h ILE 1034Ca -0.01 -1.79 0.02 0.00 1.00 0.00 0.00 64.86 64.08 2oec h ILE 1034Cb 1.30 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2oec h ILE 1034CO 0.07 0.52 0.07 0.00 0.00 0.00 0.00 178.15 178.82 2oec h ALA 1035N 0.43 1.74 0.00 1.87 0.00 -1.22 -1.91 119.26 120.18 2oec h ALA 1035Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2oec h ALA 1035Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2oec h ALA 1035CO 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2oec h ALA 1036N 1.93 1.00 -0.02 0.00 0.00 -1.25 -0.73 119.26 120.19 2oec h ALA 1036Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2oec h ALA 1036Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2oec h ALA 1036CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2oec n LEU 1037N -2.42 0.87 -4.81 0.00 4.77 -0.72 -4.89 117.00 109.80 2oec n LEU 1037Ca 0.02 -0.30 -0.32 0.00 -0.03 0.00 0.00 56.01 55.38 2oec n LEU 1037Cb 0.24 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2oec n LEU 1037CO 0.21 0.15 -0.17 -0.04 -1.33 0.00 0.00 177.39 176.21 2oec s MET 1038N -1.99 2.22 0.11 3.23 -1.94 -0.28 -5.07 119.30 115.58 2oec s MET 1038Ca 0.41 -2.33 -0.13 0.00 -1.71 0.00 0.00 55.69 51.93 2oec s MET 1038Cb 0.21 -1.67 -0.06 0.00 2.01 0.00 0.00 34.83 35.32 2oec s MET 1038CO 0.34 -0.45 0.48 -0.51 -0.01 0.00 0.00 175.02 174.87 2oec s ASP 1039N -4.00 6.77 -1.39 3.03 1.01 -0.31 -4.48 116.67 117.31 2oec s ASP 1039Ca 0.11 0.97 -0.06 0.00 0.71 0.00 0.00 52.55 54.28 2oec s ASP 1039Cb 0.00 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.69 2oec s ASP 1039CO 0.06 0.16 0.39 0.29 0.21 0.00 0.00 175.17 176.28 2oec n LYS 1040N 0.98 -2.24 -2.27 8.23 4.76 -1.26 0.02 118.16 126.38 2oec n LYS 1040Ca -0.07 0.31 -0.37 0.00 -2.87 0.00 0.00 58.31 55.31 2oec n LYS 1040Cb 0.52 -4.08 -0.01 0.00 -1.84 0.00 0.00 35.03 29.62 2oec n LYS 1040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2oec s PRO 1041N -6.75 3.72 -0.14 1.97 0.04 -1.26 -4.49 135.00 128.09 2oec s PRO 1041Ca 0.10 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 2oec s PRO 1041Cb -0.05 -2.36 0.04 0.00 0.04 0.00 0.00 34.50 32.18 2oec s PRO 1041CO 0.92 -0.58 0.37 0.54 0.04 0.00 0.00 177.00 178.29 2oec s VAL 1042N -1.58 -0.00 0.09 -0.36 0.11 0.13 -4.97 120.40 113.81 2oec s VAL 1042Ca 0.65 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 59.40 2oec s VAL 1042Cb -0.28 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 33.99 2oec s VAL 1042CO 0.33 0.00 1.23 -0.75 -3.33 0.00 0.00 175.10 172.59 2oec s LYS 1043N 0.29 4.42 -0.22 1.54 2.20 -1.26 -0.29 119.74 126.42 2oec s LYS 1043Ca -0.01 1.83 -0.16 0.00 -0.36 0.00 0.00 55.97 57.28 2oec s LYS 1043Cb -0.03 -3.32 -0.11 0.00 -1.51 0.00 0.00 37.83 32.86 2oec s LYS 1043CO -0.00 -0.27 -0.19 1.28 -0.36 0.00 0.00 175.35 175.81 2oec n LEU 1044N 3.76 1.91 -3.59 5.43 4.77 0.07 -4.87 117.00 124.47 2oec n LEU 1044Ca 0.09 0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 56.38 2oec n LEU 1044Cb 0.45 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2oec n LEU 1044CO 0.56 0.13 0.51 0.00 -1.33 0.00 0.00 177.39 177.26 2oec s ALA 1045N -2.60 -1.54 -0.20 -1.18 0.00 -1.02 -5.00 121.76 110.22 2oec s ALA 1045Ca -0.30 0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 2oec s ALA 1045Cb 0.08 0.77 0.10 0.00 0.00 0.00 0.00 23.12 24.07 2oec s ALA 1045CO 0.46 -0.86 0.34 0.45 0.00 0.00 0.00 175.76 176.15 2oec s SER 1046N -2.77 0.28 -0.05 0.00 0.15 -1.26 -0.33 113.70 109.73 2oec s SER 1046Ca 0.06 0.46 -0.02 0.00 0.70 0.00 0.00 55.95 57.15 2oec s SER 1046Cb -0.02 0.98 0.04 0.00 -1.71 0.00 0.00 66.02 65.30 2oec s SER 1046CO -0.05 -0.27 0.11 -1.00 1.20 0.00 0.00 173.24 173.22 2oec s HIS 1047N 2.50 -0.09 0.00 3.44 3.76 -0.39 -4.98 115.29 119.53 2oec s HIS 1047Ca 0.05 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 2oec s HIS 1047Cb -0.14 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.38 2oec s HIS 1047CO -0.13 -0.16 0.00 0.54 -0.85 0.00 0.00 174.74 174.15 2oec n ARG 1048N 4.40 0.00 -0.12 1.40 1.74 -1.26 -0.77 116.66 122.05 2oec n ARG 1048Ca -0.23 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.88 2oec n ARG 1048Cb 0.51 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.03 2oec n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2oec n GLU 1049N 14.00 1.54 -3.53 5.56 0.00 -1.26 -4.70 120.64 132.24 2oec n GLU 1049Ca 0.00 -0.70 -0.41 0.00 0.00 0.00 0.00 57.16 56.05 2oec n GLU 1049Cb 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 31.44 30.12 2oec n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2oec s PHE 1050N -1.69 3.51 -0.18 -1.84 0.08 0.05 -3.90 117.98 114.00 2oec s PHE 1050Ca 0.13 -2.14 -0.07 0.00 0.12 0.00 0.00 56.93 54.97 2oec s PHE 1050Cb 0.07 -3.51 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 2oec s PHE 1050CO 0.08 -0.95 0.05 0.99 -0.10 0.00 0.00 175.22 175.28 2oec s THR 1051N 0.61 4.60 0.04 0.64 2.01 -1.26 -1.27 115.64 121.01 2oec s THR 1051Ca 0.12 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.08 2oec s THR 1051Cb -0.20 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 2oec s THR 1051CO -0.04 0.45 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.24 2oec s SER 1052N 0.48 1.95 0.08 3.53 1.04 0.56 -1.75 113.70 119.58 2oec s SER 1052Ca 0.02 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.02 2oec s SER 1052Cb -0.13 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 2oec s SER 1052CO 0.01 0.09 -0.10 0.26 0.98 0.00 0.00 173.24 174.48 2oec s TRP 1053N -0.79 0.99 0.08 5.02 0.52 0.17 -0.75 118.94 124.18 2oec s TRP 1053Ca 0.04 -0.57 0.06 0.00 0.02 0.00 0.00 56.10 55.65 2oec s TRP 1053Cb -0.08 -0.56 -0.04 0.00 -1.15 0.00 0.00 33.47 31.65 2oec s TRP 1053CO 0.01 -0.01 -0.07 0.50 0.02 0.00 0.00 176.95 177.40 2oec s ARG 1054N -2.22 2.30 0.29 4.98 3.52 0.60 -1.28 118.95 127.14 2oec s ARG 1054Ca -0.01 -0.93 -0.13 0.00 -0.13 0.00 0.00 55.73 54.54 2oec s ARG 1054Cb -0.06 -2.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 2oec s ARG 1054CO 0.01 0.53 0.56 0.00 -0.81 0.00 0.00 175.30 175.59 2oec s ALA 1055N -1.19 -0.28 0.06 6.12 0.00 -0.43 0.21 121.76 126.24 2oec s ALA 1055Ca 0.21 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.35 2oec s ALA 1055Cb -0.11 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 2oec s ALA 1055CO 0.13 -0.89 -0.15 -1.21 0.00 0.00 0.00 175.76 173.64 2oec s GLU 1056N -3.55 2.09 -0.15 0.00 2.02 0.10 -0.13 118.70 119.08 2oec s GLU 1056Ca 0.21 -0.99 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 2oec s GLU 1056Cb -0.02 -2.23 0.05 0.00 0.10 0.00 0.00 34.13 32.03 2oec s GLU 1056CO 0.11 0.53 0.05 -1.17 0.02 0.00 0.00 175.26 174.80 2oec s LEU 1057N -1.68 0.72 -1.35 1.80 2.96 -0.05 -1.16 118.68 119.91 2oec s LEU 1057Ca 0.17 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 2oec s LEU 1057Cb -0.11 -0.42 0.05 0.00 0.50 0.00 0.00 46.19 46.22 2oec s LEU 1057CO 0.08 -0.30 0.50 0.47 -1.32 0.00 0.00 176.35 175.78 2oec n ASP 1058N 5.16 -4.46 0.00 3.68 8.00 -1.26 -1.95 116.55 125.73 2oec n ASP 1058Ca -0.07 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2oec n ASP 1058Cb 0.48 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 2oec n ASP 1058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oec n GLY 1059N -1.26 0.72 3.46 0.44 0.00 -1.26 -5.05 105.19 102.24 2oec n GLY 1059Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2oec n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oec s LYS 1060N -0.58 2.26 0.19 1.61 1.02 -0.82 -5.07 119.74 118.35 2oec s LYS 1060Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 2oec s LYS 1060Cb 0.00 -2.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.96 2oec s LYS 1060CO 0.00 0.58 1.35 0.00 -0.92 0.00 0.00 175.35 176.35 2oec s ALA 1061N -0.83 3.56 -0.00 5.17 0.00 -1.26 -0.87 121.76 127.52 2oec s ALA 1061Ca 0.13 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.26 2oec s ALA 1061Cb -0.11 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 2oec s ALA 1061CO 0.03 -0.58 -0.08 0.08 0.00 0.00 0.00 175.76 175.20 2oec s VAL 1062N 0.34 0.66 -0.09 0.00 1.01 0.82 -4.21 120.40 118.91 2oec s VAL 1062Ca 0.59 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 2oec s VAL 1062Cb -0.37 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2oec s VAL 1062CO 0.37 0.14 0.14 -0.63 0.00 0.00 0.00 175.10 175.12 2oec s ILE 1063N -0.29 5.45 -0.16 2.22 -1.09 -0.82 -1.32 121.20 125.20 2oec s ILE 1063Ca 0.02 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 2oec s ILE 1063Cb -0.04 -3.41 0.01 0.00 -1.58 0.00 0.00 42.46 37.44 2oec s ILE 1063CO -0.00 0.55 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.37 2oec s VAL 1064N -1.09 2.19 -0.06 2.92 1.01 -0.41 -0.21 120.40 124.75 2oec s VAL 1064Ca 0.18 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2oec s VAL 1064Cb -0.12 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.40 2oec s VAL 1064CO 0.07 0.54 0.12 0.00 0.00 0.00 0.00 175.10 175.83 2oec s SER 1066N 1.19 6.83 -0.02 0.00 1.04 -0.72 -3.59 113.70 118.44 2oec s SER 1066Ca -0.09 1.68 0.16 0.00 0.48 0.00 0.00 55.95 58.18 2oec s SER 1066Cb -0.12 -2.53 -0.22 0.00 0.10 0.00 0.00 66.02 63.24 2oec s SER 1066CO -0.05 -0.44 0.43 0.35 0.98 0.00 0.00 173.24 174.51 2oec n THR 1067N -0.87 0.00 -0.54 2.02 -2.24 -0.13 -4.42 114.28 108.09 2oec n THR 1067Ca 0.07 -0.30 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 2oec n THR 1067Cb 0.54 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 2oec n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oec n GLY 1068N 1.53 -2.13 3.61 3.38 0.00 -0.33 -3.30 105.19 107.96 2oec n GLY 1068Ca -0.01 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 2oec n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oec s ILE 1069N -2.36 4.14 0.00 -0.61 1.01 -1.26 -4.66 121.20 117.47 2oec s ILE 1069Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.88 2oec s ILE 1069Cb 0.00 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2oec s ILE 1069CO 0.00 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 174.84 2oec n GLY 1070N 4.62 3.18 0.33 6.18 0.00 -1.25 -4.83 105.19 113.42 2oec n GLY 1070Ca 0.14 -1.87 0.03 0.00 0.00 0.00 0.00 46.02 44.32 2oec n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oec h GLY 1071N 0.00 0.81 0.97 -0.02 0.00 -1.86 -1.80 103.07 101.18 2oec h GLY 1071Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2oec h GLY 1071CO 0.00 0.28 -0.09 -2.55 0.00 0.00 0.00 176.54 174.18 2oec h PRO 1072N 0.77 -0.25 0.00 4.80 0.11 -1.95 0.47 132.00 135.95 2oec h PRO 1072Ca 0.22 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.21 2oec h PRO 1072Cb -0.05 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 2oec h PRO 1072CO -0.05 -0.14 -0.66 0.66 -0.21 0.00 0.00 178.00 177.59 2oec h SER 1073N -0.29 0.00 -0.43 -2.05 4.64 -1.79 -2.38 113.55 111.25 2oec h SER 1073Ca -0.03 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2oec h SER 1073Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 2oec h SER 1073CO 0.04 0.66 0.23 0.74 -0.87 0.00 0.00 176.83 177.64 2oec h THR 1074N 0.00 1.00 -0.10 2.95 2.02 -1.22 -1.19 112.91 116.37 2oec h THR 1074Ca -0.01 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 2oec h THR 1074Cb 1.42 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2oec h THR 1074CO 0.09 0.08 -0.13 0.77 0.37 0.00 0.00 175.52 176.70 2oec h SER 1075N 0.46 0.14 -0.03 4.18 4.64 0.29 -0.49 113.55 122.73 2oec h SER 1075Ca 0.18 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 2oec h SER 1075Cb 0.06 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2oec h SER 1075CO -0.11 0.29 -0.09 0.40 -0.87 0.00 0.00 176.83 176.45 2oec h ILE 1076N 0.14 1.46 -0.73 0.95 2.04 -1.17 -2.47 117.51 117.74 2oec h ILE 1076Ca 0.03 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 2oec h ILE 1076Cb 0.32 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 2oec h ILE 1076CO 0.02 0.41 0.41 0.00 0.00 0.00 0.00 178.15 178.98 2oec h ALA 1077N 0.42 0.93 -0.29 1.87 0.00 -0.86 -1.62 119.26 119.70 2oec h ALA 1077Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2oec h ALA 1077Cb 0.71 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2oec h ALA 1077CO 0.02 0.43 -0.11 0.28 0.00 0.00 0.00 179.25 179.87 2oec h VAL 1078N 1.00 1.29 -0.38 0.00 2.07 -1.19 -2.10 116.25 116.94 2oec h VAL 1078Ca 0.26 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2oec h VAL 1078Cb 0.02 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2oec h VAL 1078CO -0.04 0.37 0.20 -0.08 0.02 0.00 0.00 177.57 178.04 2oec h GLU 1079N 0.33 0.54 -0.02 1.57 4.57 -1.26 -1.22 114.58 119.07 2oec h GLU 1079Ca 0.07 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 58.00 2oec h GLU 1079Cb 0.61 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2oec h GLU 1079CO 0.04 0.45 -0.79 0.93 -1.18 0.00 0.00 179.01 178.45 2oec h GLU 1080N 0.48 0.23 -0.42 1.92 5.08 -1.31 -1.45 114.58 119.11 2oec h GLU 1080Ca 0.13 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2oec h GLU 1080Cb 0.07 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2oec h GLU 1080CO -0.02 0.91 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.65 2oec h LEU 1081N 0.14 0.79 -0.62 1.33 3.38 -1.33 -1.75 115.31 117.26 2oec h LEU 1081Ca -0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2oec h LEU 1081Cb 1.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2oec h LEU 1081CO 0.12 0.96 0.24 0.00 0.09 0.00 0.00 178.44 179.85 2oec h ALA 1082N 1.10 0.81 -0.77 1.53 0.00 -0.91 -0.20 119.26 120.83 2oec h ALA 1082Ca 0.11 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2oec h ALA 1082Cb 0.67 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2oec h ALA 1082CO 0.05 0.43 0.50 1.96 0.00 0.00 0.00 179.25 182.19 2oec h GLN 1083N 0.87 0.65 0.00 0.00 4.20 -1.08 -0.95 115.11 118.79 2oec h GLN 1083Ca 0.21 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2oec h GLN 1083Cb 0.22 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2oec h GLN 1083CO -0.02 0.43 0.00 1.28 -0.67 0.00 0.00 178.83 179.86 2oec n LEU 1084N -4.50 0.49 0.00 1.46 4.77 -0.23 -4.88 117.00 114.10 2oec n LEU 1084Ca 0.13 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 2oec n LEU 1084Cb 0.35 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2oec n LEU 1084CO 0.32 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2oec n GLY 1085N 1.12 1.15 3.74 -0.72 0.00 -0.36 -4.77 105.19 105.35 2oec n GLY 1085Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2oec n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oec s ILE 1086N -1.41 2.90 0.00 -0.61 -1.09 -0.34 -4.64 121.20 116.02 2oec s ILE 1086Ca 0.00 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 2oec s ILE 1086Cb 0.00 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 2oec s ILE 1086CO 0.00 0.13 0.00 0.54 -1.23 0.00 0.00 174.94 174.38 2oec n ARG 1087N 2.28 4.26 -4.38 2.79 5.12 0.42 -4.13 116.66 123.03 2oec n ARG 1087Ca 0.06 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.77 2oec n ARG 1087Cb 0.41 -0.45 -0.16 0.00 -1.16 0.00 0.00 32.46 31.11 2oec n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2oec s THR 1088N -0.84 0.80 -0.10 0.55 2.01 -0.95 -1.27 115.64 115.85 2oec s THR 1088Ca 0.00 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.68 2oec s THR 1088Cb 0.00 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.79 2oec s THR 1088CO 0.00 0.26 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.70 2oec s PHE 1089N 0.45 1.74 -0.31 4.92 0.40 0.11 -1.20 117.98 124.09 2oec s PHE 1089Ca -0.07 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 2oec s PHE 1089Cb -0.11 -1.29 0.07 0.00 0.51 0.00 0.00 43.02 42.19 2oec s PHE 1089CO 0.01 -0.43 0.00 -0.51 0.70 0.00 0.00 175.22 174.99 2oec s LEU 1090N 1.04 4.06 0.08 -0.37 1.43 -0.37 -0.71 118.68 123.83 2oec s LEU 1090Ca -0.07 -1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 51.27 2oec s LEU 1090Cb -0.15 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 2oec s LEU 1090CO -0.01 -0.29 0.78 -0.60 0.23 0.00 0.00 176.35 176.46 2oec s ARG 1091N 1.16 4.53 -0.10 1.70 3.52 -0.45 -0.87 118.95 128.44 2oec s ARG 1091Ca -0.03 1.12 0.02 0.00 -0.13 0.00 0.00 55.73 56.71 2oec s ARG 1091Cb -0.20 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 2oec s ARG 1091CO -0.03 0.36 -0.14 -1.50 -0.81 0.00 0.00 175.30 173.18 2oec s ILE 1092N -0.37 1.41 0.23 4.11 -1.16 -1.25 -1.63 121.20 122.54 2oec s ILE 1092Ca 0.38 -0.60 0.05 0.00 -0.51 0.00 0.00 60.65 59.97 2oec s ILE 1092Cb -0.21 -1.30 -0.02 0.00 0.61 0.00 0.00 42.46 41.54 2oec s ILE 1092CO 0.24 0.42 0.17 0.61 -2.81 0.00 0.00 174.94 173.58 2oec n GLY 1093N 4.17 3.32 3.62 1.50 0.00 -0.62 -4.21 105.19 112.97 2oec n GLY 1093Ca -0.19 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 2oec n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oec s THR 1094N -2.85 2.37 0.06 2.61 -4.23 -1.26 -1.21 115.64 111.12 2oec s THR 1094Ca 0.24 -2.01 -0.23 0.00 -1.18 0.00 0.00 61.69 58.52 2oec s THR 1094Cb 0.01 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 71.09 2oec s THR 1094CO 0.17 -0.14 0.53 0.28 -0.54 0.00 0.00 174.62 174.92 2oec s THR 1095N -2.59 0.03 -0.29 3.99 -1.32 0.10 -4.79 115.64 110.76 2oec s THR 1095Ca 0.35 -0.22 -0.11 0.00 -1.21 0.00 0.00 61.69 60.50 2oec s THR 1095Cb 0.03 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 2oec s THR 1095CO 0.19 -0.12 0.19 -0.83 -2.21 0.00 0.00 174.62 171.84 2oec s GLY 1096N -2.04 1.93 0.44 6.08 0.00 -1.25 -1.78 107.32 110.70 2oec s GLY 1096Ca -0.05 -1.16 -0.22 0.00 0.00 0.00 0.00 44.72 43.30 2oec s GLY 1096CO -0.03 0.67 1.00 0.00 0.00 0.00 0.00 173.10 174.74 2oec s ALA 1097N 1.74 3.00 -0.08 3.20 0.00 0.34 -2.26 121.76 127.71 2oec s ALA 1097Ca 0.07 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.57 2oec s ALA 1097Cb -0.16 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2oec s ALA 1097CO 0.10 -0.08 0.92 0.44 0.00 0.00 0.00 175.76 177.15 2oec n ILE 1098N -0.58 0.80 -4.23 0.00 -5.35 -0.34 -0.69 119.36 108.97 2oec n ILE 1098Ca 0.07 -0.90 -0.34 0.00 -0.27 0.00 0.00 62.75 61.31 2oec n ILE 1098Cb 0.52 0.60 -0.10 0.00 -1.74 0.00 0.00 39.64 38.93 2oec n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2oec s GLN 1099N -0.82 3.60 0.33 6.28 -1.52 -1.24 -4.81 119.66 121.48 2oec s GLN 1099Ca 0.02 -0.41 0.03 0.00 -1.95 0.00 0.00 55.36 53.05 2oec s GLN 1099Cb 0.01 -3.01 0.62 0.00 -0.22 0.00 0.00 33.01 30.42 2oec s GLN 1099CO 0.01 0.39 1.92 -1.35 -0.25 0.00 0.00 175.29 176.02 2oec h PRO 1100N 6.23 0.88 0.00 2.91 0.11 -1.96 -2.16 132.00 138.01 2oec h PRO 1100Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2oec h PRO 1100Cb 1.18 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2oec h PRO 1100CO 0.63 0.59 0.00 -2.39 -0.21 0.00 0.00 178.00 176.62 2oec n HIS 1101N -4.49 0.00 -3.33 0.65 1.44 -1.26 -4.66 115.22 103.56 2oec n HIS 1101Ca 0.13 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.46 2oec n HIS 1101Cb 0.23 -0.47 -0.07 0.00 0.12 0.00 0.00 29.99 29.81 2oec n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2oec s ILE 1102N -2.93 5.17 0.01 0.61 1.01 -0.81 -5.07 121.20 119.18 2oec s ILE 1102Ca 0.11 0.83 -0.04 0.00 0.00 0.00 0.00 60.65 61.56 2oec s ILE 1102Cb 0.14 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2oec s ILE 1102CO 0.37 0.25 0.22 0.20 0.00 0.00 0.00 174.94 175.97 2oec s ASN 1103N 0.96 6.41 0.20 3.58 0.01 -1.26 -4.89 114.94 119.96 2oec s ASN 1103Ca 0.22 0.41 -0.32 0.00 -0.71 0.00 0.00 52.86 52.46 2oec s ASN 1103Cb -0.15 -2.03 -0.13 0.00 0.41 0.00 0.00 41.25 39.36 2oec s ASN 1103CO 0.09 0.24 1.61 0.55 -1.51 0.00 0.00 177.10 178.08 2oec n VAL 1104N 0.89 0.24 0.00 1.60 3.14 -1.26 -0.63 118.33 122.31 2oec n VAL 1104Ca -0.10 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2oec n VAL 1104Cb 0.52 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 2oec n VAL 1104CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2oec n GLY 1105N 3.31 1.78 3.77 7.55 0.00 0.10 -5.01 105.19 116.69 2oec n GLY 1105Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2oec n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oec s ASP 1106N -1.52 3.77 -0.03 1.61 1.11 0.20 -4.76 116.67 117.05 2oec s ASP 1106Ca 0.00 1.19 0.07 0.00 0.18 0.00 0.00 52.55 53.99 2oec s ASP 1106Cb 0.00 -1.85 -0.02 0.00 1.07 0.00 0.00 42.92 42.13 2oec s ASP 1106CO 0.00 -2.41 -0.25 -0.69 1.18 0.00 0.00 175.17 173.00 2oec s VAL 1107N -3.15 1.99 -0.13 -1.27 1.01 -0.17 -1.56 120.40 117.13 2oec s VAL 1107Ca 0.63 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2oec s VAL 1107Cb -0.15 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2oec s VAL 1107CO 0.55 0.56 -0.16 -0.76 0.00 0.00 0.00 175.10 175.29 2oec s LEU 1108N -0.43 2.54 -0.20 3.92 1.43 0.04 -1.50 118.68 124.47 2oec s LEU 1108Ca 0.05 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2oec s LEU 1108Cb -0.11 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2oec s LEU 1108CO 0.01 0.15 0.00 -0.69 0.23 0.00 0.00 176.35 176.05 2oec s VAL 1109N 0.42 3.97 -0.25 -1.59 1.01 -0.02 -0.98 120.40 122.97 2oec s VAL 1109Ca -0.12 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 2oec s VAL 1109Cb -0.16 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2oec s VAL 1109CO 0.06 0.43 0.61 -0.89 0.00 0.00 0.00 175.10 175.30 2oec s THR 1110N 1.01 5.01 0.09 3.92 2.01 -0.63 -1.42 115.64 125.63 2oec s THR 1110Ca 0.02 1.09 0.07 0.00 0.31 0.00 0.00 61.69 63.17 2oec s THR 1110Cb -0.14 -3.91 -0.22 0.00 0.01 0.00 0.00 72.50 68.23 2oec s THR 1110CO 0.02 0.06 1.18 0.71 -0.69 0.00 0.00 174.62 175.89 2oec h THR 1111N 5.37 1.58 -1.85 -0.82 1.35 -1.47 -3.41 112.91 113.66 2oec h THR 1111Ca -0.28 -3.29 0.18 0.00 -0.55 0.00 0.00 66.41 62.47 2oec h THR 1111Cb 1.13 2.80 -0.18 0.00 -1.73 0.00 0.00 68.15 70.17 2oec h THR 1111CO 0.76 0.91 0.65 0.00 -0.25 0.00 0.00 175.52 177.59 2oec s ALA 1112N -2.69 -1.95 0.04 6.62 0.00 -1.25 -1.41 121.76 121.11 2oec s ALA 1112Ca -0.00 1.33 0.08 0.00 0.00 0.00 0.00 51.96 53.37 2oec s ALA 1112Cb 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2oec s ALA 1112CO 0.83 -0.62 -0.22 -1.12 0.00 0.00 0.00 175.76 174.63 2oec s SER 1113N -2.25 2.66 -0.05 0.00 0.01 0.17 -1.99 113.70 112.25 2oec s SER 1113Ca 0.07 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 2oec s SER 1113Cb -0.01 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 2oec s SER 1113CO -0.06 0.19 1.50 -0.69 0.41 0.00 0.00 173.24 174.59 2oec s VAL 1114N -0.79 3.70 -1.23 3.43 1.01 0.13 -4.38 120.40 122.27 2oec s VAL 1114Ca 0.09 0.96 -0.17 0.00 0.00 0.00 0.00 61.98 62.86 2oec s VAL 1114Cb -0.09 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.78 2oec s VAL 1114CO 0.02 -0.05 1.59 -0.13 0.00 0.00 0.00 175.10 176.52 2oec s ARG 1115N 3.30 3.98 -0.52 2.72 0.52 -1.26 -1.58 118.95 126.10 2oec s ARG 1115Ca 0.67 -2.14 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 2oec s ARG 1115Cb -0.31 -5.33 0.46 0.00 0.52 0.00 0.00 34.95 30.29 2oec s ARG 1115CO 0.26 -2.06 1.96 1.28 0.02 0.00 0.00 175.30 176.76 2oec n LEU 1116N 7.38 7.05 -4.65 2.53 4.77 0.17 -4.93 117.00 129.32 2oec n LEU 1116Ca 0.43 -3.83 -0.29 0.00 -0.03 0.00 0.00 56.01 52.28 2oec n LEU 1116Cb 0.45 -0.93 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 2oec n LEU 1116CO 0.70 1.27 -0.24 1.51 -1.33 0.00 0.00 177.39 179.30 2oec s ASP 1117N -1.26 3.55 -0.11 -1.43 -4.77 -1.20 -1.35 116.67 110.10 2oec s ASP 1117Ca 0.55 -1.63 0.09 0.00 -3.30 0.00 0.00 52.55 48.26 2oec s ASP 1117Cb 0.44 0.43 -0.13 0.00 -1.09 0.00 0.00 42.92 42.56 2oec s ASP 1117CO 0.03 -0.84 0.03 0.61 0.70 0.00 0.00 175.17 175.69 2oec n GLY 1118N -1.09 -0.53 0.26 2.12 0.00 -1.26 -4.69 105.19 100.00 2oec n GLY 1118Ca -0.13 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.72 2oec n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec h ALA 1119N 0.52 1.42 -0.82 4.61 0.00 -1.98 -2.64 119.26 120.37 2oec h ALA 1119Ca -0.30 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.44 2oec h ALA 1119Cb 1.67 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 2oec h ALA 1119CO 0.01 0.40 0.54 0.66 0.00 0.00 0.00 179.25 180.86 2oec h SER 1120N 0.40 0.88 0.23 0.00 4.64 -1.86 -0.28 113.55 117.55 2oec h SER 1120Ca 0.08 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2oec h SER 1120Cb 0.34 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2oec h SER 1120CO 0.01 0.61 0.00 -0.07 -0.87 0.00 0.00 176.83 176.51 2oec h LEU 1121N 1.02 0.00 0.00 5.97 3.38 -1.56 0.18 115.31 124.30 2oec h LEU 1121Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2oec h LEU 1121Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2oec h LEU 1121CO -0.09 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.85 2oec n HIS 1122N -2.75 0.00 0.00 1.13 8.25 -0.12 -3.81 115.22 117.92 2oec n HIS 1122Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2oec n HIS 1122Cb 0.11 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.90 2oec n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2oec n PHE 1123N -1.32 0.00 -3.60 4.41 3.72 -0.05 -5.08 117.46 115.54 2oec n PHE 1123Ca 0.12 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.36 2oec n PHE 1123Cb 0.24 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.71 2oec n PHE 1123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oec s ALA 1124N -1.96 -1.57 0.88 4.37 0.00 -0.59 -4.99 121.76 117.90 2oec s ALA 1124Ca 0.00 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 2oec s ALA 1124Cb 0.00 -0.37 0.12 0.00 0.00 0.00 0.00 23.12 22.87 2oec s ALA 1124CO 0.00 -0.33 1.11 -1.25 0.00 0.00 0.00 175.76 175.29 2oec s PRO 1125N -0.65 1.35 0.55 0.00 0.04 -1.26 -3.78 135.00 131.25 2oec s PRO 1125Ca -0.07 1.27 0.24 0.00 0.04 0.00 0.00 61.00 62.48 2oec s PRO 1125Cb -0.02 -1.79 1.47 0.00 0.04 0.00 0.00 34.50 34.20 2oec s PRO 1125CO 0.06 -2.31 2.10 1.98 0.04 0.00 0.00 177.00 178.87 2oec h MET 1126N -1.62 0.00 0.00 4.56 4.05 -1.95 -0.93 114.93 119.05 2oec h MET 1126Ca -0.45 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2oec h MET 1126Cb 1.26 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2oec h MET 1126CO 0.47 0.00 -0.01 0.93 0.23 0.00 0.00 176.91 178.54 2oec h GLU 1127N 0.00 0.00 -6.76 0.39 3.07 -2.03 -3.43 114.58 105.81 2oec h GLU 1127Ca 0.10 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.45 2oec h GLU 1127Cb 0.46 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2oec h GLU 1127CO -0.00 0.01 0.53 0.12 -1.40 0.00 0.00 179.01 178.26 2oec s PHE 1128N -4.87 3.46 -0.03 4.33 2.19 -0.35 -4.99 117.98 117.71 2oec s PHE 1128Ca -0.05 1.56 -0.29 0.00 0.33 0.00 0.00 56.93 58.48 2oec s PHE 1128Cb 0.16 -3.39 -0.03 0.00 -1.31 0.00 0.00 43.02 38.46 2oec s PHE 1128CO 0.62 -0.96 0.94 -1.25 1.83 0.00 0.00 175.22 176.40 2oec s PRO 1129N -1.00 4.51 -1.26 10.12 0.04 -1.26 -4.95 135.00 141.19 2oec s PRO 1129Ca 0.48 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 2oec s PRO 1129Cb -0.33 -3.48 -0.00 0.00 0.04 0.00 0.00 34.50 30.73 2oec s PRO 1129CO 0.41 -0.09 2.02 0.00 0.04 0.00 0.00 177.00 179.37 2oec n ALA 1130N 4.12 4.25 -2.67 8.56 0.00 -1.26 -4.74 120.51 128.77 2oec n ALA 1130Ca 0.05 -3.68 -0.34 0.00 0.00 0.00 0.00 53.44 49.47 2oec n ALA 1130Cb 0.51 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.29 2oec n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2oec s VAL 1131N 4.56 4.17 0.47 0.00 0.11 -1.26 -0.66 120.40 127.79 2oec s VAL 1131Ca 0.53 -0.46 -0.20 0.00 -2.93 0.00 0.00 61.98 58.92 2oec s VAL 1131Cb 0.10 -2.80 -0.09 0.00 -1.53 0.00 0.00 36.38 32.05 2oec s VAL 1131CO 0.02 0.48 0.99 0.00 -3.33 0.00 0.00 175.10 173.26 2oec s ALA 1132N -0.99 2.96 0.35 1.54 0.00 -0.50 -4.66 121.76 120.46 2oec s ALA 1132Ca 0.17 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 2oec s ALA 1132Cb -0.11 -3.19 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 2oec s ALA 1132CO 0.07 -0.12 1.49 0.34 0.00 0.00 0.00 175.76 177.53 2oec s ASP 1133N -2.22 6.39 0.15 0.00 -1.08 -0.27 -4.92 116.67 114.72 2oec s ASP 1133Ca 0.64 2.99 -0.13 0.00 -0.52 0.00 0.00 52.55 55.53 2oec s ASP 1133Cb -0.12 -2.66 0.02 0.00 -1.46 0.00 0.00 42.92 38.70 2oec s ASP 1133CO 0.19 -0.85 1.64 0.15 0.52 0.00 0.00 175.17 176.82 2oec h PHE 1134N 3.41 0.84 -0.42 -5.34 3.57 -1.95 -1.87 116.94 115.17 2oec h PHE 1134Ca -0.50 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 60.91 2oec h PHE 1134Cb 1.23 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2oec h PHE 1134CO 0.55 0.76 0.26 0.00 -2.23 0.00 0.00 178.31 177.65 2oec h ALA 1135N 0.98 0.54 -0.42 2.41 0.00 -1.95 -0.49 119.26 120.32 2oec h ALA 1135Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2oec h ALA 1135Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2oec h ALA 1135CO 0.01 -0.05 0.18 0.00 0.00 0.00 0.00 179.25 179.39 2oec h THR 1137N 0.54 1.20 -0.33 0.00 2.02 -1.13 -0.73 112.91 114.48 2oec h THR 1137Ca 0.14 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2oec h THR 1137Cb 0.16 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2oec h THR 1137CO -0.01 0.22 0.18 0.74 0.37 0.00 0.00 175.52 177.02 2oec h THR 1138N 0.83 1.02 -0.49 3.16 2.02 -0.88 -1.15 112.91 117.42 2oec h THR 1138Ca 0.21 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.31 2oec h THR 1138Cb 0.06 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 2oec h THR 1138CO -0.03 0.07 0.23 0.00 0.37 0.00 0.00 175.52 176.16 2oec h ALA 1139N 1.15 0.62 -0.51 6.16 0.00 -0.55 -1.01 119.26 125.12 2oec h ALA 1139Ca 0.13 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2oec h ALA 1139Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2oec h ALA 1139CO -0.07 -0.12 0.05 -0.07 0.00 0.00 0.00 179.25 179.03 2oec h LEU 1140N 0.46 0.84 -0.18 0.00 3.38 -0.87 -0.27 115.31 118.67 2oec h LEU 1140Ca 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2oec h LEU 1140Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2oec h LEU 1140CO -0.17 0.91 0.04 0.58 0.09 0.00 0.00 178.44 179.89 2oec h VAL 1141N 0.75 1.21 -0.49 1.22 2.07 -1.03 -0.61 116.25 119.37 2oec h VAL 1141Ca 0.15 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2oec h VAL 1141Cb 0.45 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2oec h VAL 1141CO 0.02 0.21 0.27 -0.33 0.02 0.00 0.00 177.57 177.76 2oec h GLU 1142N 0.10 0.68 -0.64 1.57 3.07 -1.12 -2.30 114.58 115.94 2oec h GLU 1142Ca 0.06 -0.08 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2oec h GLU 1142Cb 0.29 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 2oec h GLU 1142CO 0.00 0.53 0.43 0.00 -1.40 0.00 0.00 179.01 178.57 2oec h ALA 1143N 1.11 1.57 -0.51 3.43 0.00 -0.94 -1.01 119.26 122.91 2oec h ALA 1143Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2oec h ALA 1143Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2oec h ALA 1143CO -0.03 0.39 0.08 0.00 0.00 0.00 0.00 179.25 179.69 2oec h ALA 1144N 1.61 1.17 -0.26 0.00 0.00 -0.57 -1.77 119.26 119.43 2oec h ALA 1144Ca 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2oec h ALA 1144Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2oec h ALA 1144CO -0.06 0.55 -0.02 0.87 0.00 0.00 0.00 179.25 180.59 2oec h LYS 1145N 0.77 0.47 -0.95 0.00 1.57 -0.83 0.15 116.57 117.76 2oec h LYS 1145Ca 0.16 -0.16 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 2oec h LYS 1145Cb 0.36 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 2oec h LYS 1145CO 0.01 0.66 0.57 0.77 -0.57 0.00 0.00 179.45 180.88 2oec h SER 1146N 0.23 0.78 1.29 0.86 0.02 -0.93 -1.11 113.55 114.70 2oec h SER 1146Ca 0.07 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2oec h SER 1146Cb 0.46 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2oec h SER 1146CO 0.02 0.38 -0.73 0.40 -1.14 0.00 0.00 176.83 175.75 2oec h ILE 1147N 0.84 0.86 0.00 3.27 1.08 -1.25 -3.48 117.51 118.84 2oec h ILE 1147Ca 0.49 -2.28 0.00 0.00 -0.39 0.00 0.00 64.86 62.68 2oec h ILE 1147Cb 0.59 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 2oec h ILE 1147CO -0.31 0.49 0.00 0.61 -0.69 0.00 0.00 178.15 178.26 2oec n GLY 1148N 1.27 0.69 3.79 5.37 0.00 0.41 -5.06 105.19 111.67 2oec n GLY 1148Ca -0.01 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2oec n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec s ALA 1149N -2.00 2.67 -0.40 4.61 0.00 -0.45 -4.99 121.76 121.20 2oec s ALA 1149Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 2oec s ALA 1149Cb 0.00 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.89 2oec s ALA 1149CO 0.00 -0.93 1.05 0.99 0.00 0.00 0.00 175.76 176.87 2oec s THR 1150N -2.42 4.41 -0.05 0.00 2.01 -1.26 -4.76 115.64 113.56 2oec s THR 1150Ca 0.64 1.33 0.04 0.00 0.31 0.00 0.00 61.69 64.02 2oec s THR 1150Cb -0.17 -4.47 -0.02 0.00 0.01 0.00 0.00 72.50 67.85 2oec s THR 1150CO 0.38 -0.73 -0.18 -0.89 -0.69 0.00 0.00 174.62 172.51 2oec s THR 1151N 3.92 2.72 -0.02 -0.82 2.01 -1.26 -1.00 115.64 121.20 2oec s THR 1151Ca 0.44 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.67 2oec s THR 1151Cb -0.10 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2oec s THR 1151CO 0.23 0.58 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.50 2oec s HIS 1152N -0.50 2.18 -0.14 4.92 3.76 -0.56 -4.98 115.29 119.97 2oec s HIS 1152Ca 0.06 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 2oec s HIS 1152Cb -0.12 -1.40 0.02 0.00 1.11 0.00 0.00 32.58 32.19 2oec s HIS 1152CO 0.01 -0.03 -0.15 0.08 -0.85 0.00 0.00 174.74 173.80 2oec s VAL 1153N -0.58 1.57 -1.69 -0.90 1.01 -1.26 -0.84 120.40 117.72 2oec s VAL 1153Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2oec s VAL 1153Cb -0.09 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2oec s VAL 1153CO -0.01 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2oec n GLY 1154N 4.61 -0.69 3.80 4.51 0.00 -0.51 -4.92 105.19 111.98 2oec n GLY 1154Ca -0.18 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 2oec n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oec s VAL 1155N -3.92 4.86 -0.02 1.61 1.01 -1.26 -1.14 120.40 121.55 2oec s VAL 1155Ca 0.00 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.20 2oec s VAL 1155Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2oec s VAL 1155CO 0.00 0.51 -0.25 -0.89 0.00 0.00 0.00 175.10 174.47 2oec s THR 1156N -0.74 2.18 -0.34 3.92 2.01 -0.84 -0.92 115.64 120.92 2oec s THR 1156Ca 0.28 -1.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 2oec s THR 1156Cb -0.18 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.55 2oec s THR 1156CO 0.17 0.56 0.59 0.00 -0.69 0.00 0.00 174.62 175.25 2oec s ALA 1157N -0.64 3.49 -0.35 7.40 0.00 -0.05 0.17 121.76 131.77 2oec s ALA 1157Ca 0.10 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 2oec s ALA 1157Cb -0.10 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.96 2oec s ALA 1157CO -0.00 -1.21 0.14 0.45 0.00 0.00 0.00 175.76 175.14 2oec s SER 1158N 1.73 5.46 -0.02 0.00 0.15 -0.61 -1.22 113.70 119.19 2oec s SER 1158Ca 0.23 -1.07 0.04 0.00 0.70 0.00 0.00 55.95 55.84 2oec s SER 1158Cb -0.15 -1.93 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2oec s SER 1158CO 0.13 -0.34 -0.12 -0.55 1.20 0.00 0.00 173.24 173.56 2oec s SER 1159N 1.46 4.22 0.17 5.45 0.15 0.05 -0.66 113.70 124.53 2oec s SER 1159Ca -0.00 -0.20 0.21 0.00 0.70 0.00 0.00 55.95 56.66 2oec s SER 1159Cb -0.19 -0.90 0.87 0.00 -1.71 0.00 0.00 66.02 64.09 2oec s SER 1159CO 0.04 0.32 1.65 0.47 1.20 0.00 0.00 173.24 176.92 2oec n ASP 1160N 1.97 0.46 -4.32 5.45 9.92 -0.46 -4.32 116.55 125.25 2oec n ASP 1160Ca -0.17 0.60 -0.23 0.00 -0.53 0.00 0.00 54.79 54.46 2oec n ASP 1160Cb 0.52 -0.70 -0.12 0.00 -0.64 0.00 0.00 41.12 40.18 2oec n ASP 1160CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2oec s THR 1161N -3.19 1.83 -0.19 -3.53 -4.23 -1.26 -5.01 115.64 100.06 2oec s THR 1161Ca 0.06 -1.78 0.16 0.00 -1.18 0.00 0.00 61.69 58.95 2oec s THR 1161Cb 0.10 -1.76 0.08 0.00 1.34 0.00 0.00 72.50 72.26 2oec s THR 1161CO 0.38 -0.19 1.42 0.15 -0.54 0.00 0.00 174.62 175.84 2oec h PHE 1162N 3.59 0.00 0.00 3.99 3.04 -1.98 -3.38 116.94 122.20 2oec h PHE 1162Ca -0.44 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.51 2oec h PHE 1162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2oec h PHE 1162CO 0.65 0.45 0.00 0.66 -2.02 0.00 0.00 178.31 178.05 2oec n TYR 1163N -3.19 0.00 0.18 0.41 4.02 -1.26 -4.40 117.16 112.92 2oec n TYR 1163Ca 0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.93 2oec n TYR 1163Cb 0.72 0.00 0.34 0.00 -0.02 0.00 0.00 39.34 40.38 2oec n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2oec h PRO 1164N 0.00 0.00 0.00 -0.72 0.13 -1.87 0.54 132.00 130.08 2oec h PRO 1164Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2oec h PRO 1164Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2oec h PRO 1164CO 0.00 0.40 -0.08 0.78 -0.23 0.00 0.00 178.00 178.87 2oec h GLY 1165N 1.29 0.00 -3.02 1.56 0.00 -1.87 -1.69 103.07 99.35 2oec h GLY 1165Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.05 2oec h GLY 1165CO 0.05 0.00 0.25 -1.06 0.00 0.00 0.00 176.54 175.78 2oec n GLN 1166N -3.21 2.58 -4.18 4.80 6.02 -1.03 -4.93 117.38 117.43 2oec n GLN 1166Ca 0.00 -3.07 -0.39 0.00 -0.01 0.00 0.00 57.00 53.53 2oec n GLN 1166Cb 0.35 -2.04 -0.04 0.00 1.02 0.00 0.00 30.24 29.54 2oec n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2oec n GLU 1167N -0.82 -0.67 -3.48 -1.09 2.13 -0.64 -4.95 120.64 111.12 2oec n GLU 1167Ca 0.42 0.09 -0.37 0.00 0.66 0.00 0.00 57.16 57.96 2oec n GLU 1167Cb 1.31 -3.09 -0.06 0.00 0.27 0.00 0.00 31.44 29.87 2oec n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2oec s ARG 1168N -7.38 4.11 -0.01 5.31 0.52 0.15 -4.98 118.95 116.67 2oec s ARG 1168Ca 0.25 0.29 0.12 0.00 -0.52 0.00 0.00 55.73 55.88 2oec s ARG 1168Cb -0.14 -3.34 -0.17 0.00 0.52 0.00 0.00 34.95 31.82 2oec s ARG 1168CO 0.98 0.41 0.37 0.66 0.02 0.00 0.00 175.30 177.75 2oec n TYR 1169N 2.87 0.00 -1.59 -0.53 4.02 -1.26 -4.39 117.16 116.28 2oec n TYR 1169Ca -0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 2oec n TYR 1169Cb 0.52 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.65 2oec n TYR 1169CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2oec n ASP 1170N -1.68 3.47 -4.02 7.72 2.03 -1.26 -4.03 116.55 118.78 2oec n ASP 1170Ca -0.00 -2.79 -0.19 0.00 0.52 0.00 0.00 54.79 52.33 2oec n ASP 1170Cb 0.27 -1.49 -0.09 0.00 -0.72 0.00 0.00 41.12 39.09 2oec n ASP 1170CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2oec s THR 1171N 3.95 0.35 0.17 5.18 -4.23 -1.26 -5.00 115.64 114.81 2oec s THR 1171Ca 0.51 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.87 2oec s THR 1171Cb 0.13 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.54 2oec s THR 1171CO -0.01 0.00 1.71 0.22 -0.54 0.00 0.00 174.62 176.00 2oec h TYR 1172N 2.22 0.07 0.00 3.99 3.20 -1.99 -2.90 116.97 121.56 2oec h TYR 1172Ca -0.34 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 61.30 2oec h TYR 1172Cb 1.25 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 2oec h TYR 1172CO 0.98 -0.04 -1.47 0.66 -1.64 0.00 0.00 178.16 176.65 2oec h SER 1173N 0.17 0.00 -0.47 -2.11 4.64 -1.97 -3.47 113.55 110.34 2oec h SER 1173Ca 0.21 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.33 2oec h SER 1173Cb 0.29 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.30 2oec h SER 1173CO -0.31 0.98 -0.18 0.61 -0.87 0.00 0.00 176.83 177.06 2oec n GLY 1174N 1.48 1.03 3.70 -0.77 0.00 -1.10 -4.98 105.19 104.56 2oec n GLY 1174Ca -0.11 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2oec n GLY 1174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2oec s ARG 1175N -2.68 3.02 -0.12 1.61 3.52 -1.26 -4.91 118.95 118.13 2oec s ARG 1175Ca 0.00 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 2oec s ARG 1175Cb 0.00 -2.82 0.02 0.00 -1.56 0.00 0.00 34.95 30.58 2oec s ARG 1175CO 0.00 0.71 -0.14 0.08 -0.81 0.00 0.00 175.30 175.14 2oec s VAL 1176N -0.90 1.46 0.68 7.11 1.01 -1.26 -4.90 120.40 123.59 2oec s VAL 1176Ca 0.14 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 2oec s VAL 1176Cb -0.11 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2oec s VAL 1176CO 0.03 0.44 1.07 0.55 0.00 0.00 0.00 175.10 177.19 2oec n VAL 1177N 4.47 3.64 -0.34 2.92 3.14 -1.26 -4.57 118.33 126.34 2oec n VAL 1177Ca -0.18 -0.43 0.02 0.00 -2.96 0.00 0.00 64.34 60.79 2oec n VAL 1177Cb 0.51 -1.23 0.09 0.00 -1.06 0.00 0.00 33.84 32.15 2oec n VAL 1177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2oec h ARG 1178N 0.11 -0.01 -0.59 1.45 2.43 -2.00 -0.12 114.38 115.64 2oec h ARG 1178Ca -0.49 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.84 2oec h ARG 1178Cb 1.34 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 2oec h ARG 1178CO 0.49 -0.01 0.42 -0.09 -1.51 0.00 0.00 179.97 179.27 2oec h ARG 1179N -0.02 0.12 -0.02 0.20 2.43 -2.02 -2.00 114.38 113.08 2oec h ARG 1179Ca 0.40 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2oec h ARG 1179Cb 0.64 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2oec h ARG 1179CO -0.94 0.08 -0.39 1.19 -1.51 0.00 0.00 179.97 178.39 2oec n PHE 1180N -4.41 0.00 -1.97 2.20 3.72 -0.09 -4.72 117.46 112.20 2oec n PHE 1180Ca 0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 2oec n PHE 1180Cb 0.58 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 2oec n PHE 1180CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2oec s LYS 1181N -2.26 4.18 -0.24 -1.08 1.02 -0.75 -2.24 119.74 118.37 2oec s LYS 1181Ca 0.18 2.25 0.00 0.00 0.02 0.00 0.00 55.97 58.41 2oec s LYS 1181Cb 0.17 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 2oec s LYS 1181CO 0.50 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 2oec n GLY 1182N 4.14 0.55 0.16 -3.33 0.00 -1.26 -4.94 105.19 100.52 2oec n GLY 1182Ca 0.17 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 2oec n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2oec h SER 1183N 0.00 0.66 -0.79 1.61 4.64 -1.73 -3.16 113.55 114.78 2oec h SER 1183Ca -0.05 -0.58 -0.03 0.00 -0.47 0.00 0.00 61.79 60.67 2oec h SER 1183Cb 0.28 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2oec h SER 1183CO 0.07 1.39 0.38 -0.03 -0.87 0.00 0.00 176.83 177.77 2oec h MET 1184N 0.24 1.15 -0.59 4.77 -1.53 -1.92 -0.43 114.93 116.63 2oec h MET 1184Ca -0.12 -0.17 -0.04 0.00 -3.44 0.00 0.00 59.70 55.92 2oec h MET 1184Cb 1.75 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 32.56 2oec h MET 1184CO 0.20 0.89 0.19 1.49 0.14 0.00 0.00 176.91 179.81 2oec h GLU 1185N 1.14 0.88 0.02 0.39 4.81 -1.97 0.13 114.58 119.97 2oec h GLU 1185Ca 0.27 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2oec h GLU 1185Cb 0.12 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2oec h GLU 1185CO -0.03 0.75 -0.01 1.49 -0.73 0.00 0.00 179.01 180.48 2oec h GLU 1186N 0.86 -0.03 -0.74 1.92 4.81 -1.31 -1.08 114.58 119.00 2oec h GLU 1186Ca 0.20 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 2oec h GLU 1186Cb 0.24 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 2oec h GLU 1186CO -0.01 0.37 0.40 -1.49 -0.73 0.00 0.00 179.01 177.55 2oec h TRP 1187N -0.43 0.73 -0.28 0.92 -0.00 -1.01 0.18 115.95 116.05 2oec h TRP 1187Ca -0.00 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 2oec h TRP 1187Cb 0.41 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.33 2oec h TRP 1187CO 0.06 0.30 0.10 1.96 -0.00 0.00 0.00 178.44 180.85 2oec h GLN 1188N 0.69 0.21 0.00 0.49 4.20 -0.91 -1.15 115.11 118.65 2oec h GLN 1188Ca 0.36 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 2oec h GLN 1188Cb 0.32 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2oec h GLN 1188CO -0.24 0.14 -0.11 0.00 -0.67 0.00 0.00 178.83 177.95 2oec h ALA 1189N 1.18 1.52 -0.07 3.87 0.00 -0.21 -1.77 119.26 123.78 2oec h ALA 1189Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2oec h ALA 1189Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2oec h ALA 1189CO -0.13 0.14 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 2oec n MET 1190N -3.98 1.55 -0.65 0.00 2.81 -0.04 -4.92 117.12 111.90 2oec n MET 1190Ca -0.02 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 2oec n MET 1190Cb 0.20 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2oec n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oec n GLY 1191N 1.10 0.72 3.77 3.03 0.00 -0.67 -5.03 105.19 108.12 2oec n GLY 1191Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2oec n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oec s VAL 1192N -2.41 2.19 -0.06 1.61 1.01 -0.51 -4.69 120.40 117.54 2oec s VAL 1192Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2oec s VAL 1192Cb 0.00 -3.11 -0.28 0.00 0.00 0.00 0.00 36.38 32.99 2oec s VAL 1192CO 0.00 0.04 0.62 0.24 0.00 0.00 0.00 175.10 176.00 2oec h MET 1193N 3.56 0.28 -2.35 2.72 0.00 -1.35 -3.42 114.93 114.37 2oec h MET 1193Ca -0.49 -0.47 0.16 0.00 0.00 0.00 0.00 59.70 58.90 2oec h MET 1193Cb 1.23 0.18 -0.09 0.00 0.00 0.00 0.00 31.60 32.92 2oec h MET 1193CO 0.68 1.15 0.48 0.54 0.00 0.00 0.00 176.91 179.76 2oec s ASN 1194N -7.01 -0.21 -0.03 1.22 4.22 -1.26 -1.20 114.94 110.67 2oec s ASN 1194Ca -0.15 -0.34 0.01 0.00 -2.14 0.00 0.00 52.86 50.24 2oec s ASN 1194Cb 0.06 0.48 -0.03 0.00 1.28 0.00 0.00 41.25 43.04 2oec s ASN 1194CO 0.82 -0.87 -0.04 -0.31 -2.04 0.00 0.00 177.10 174.67 2oec s TYR 1195N -3.28 2.99 0.01 1.54 2.02 -0.96 -0.87 117.35 118.82 2oec s TYR 1195Ca 0.11 0.05 -0.00 0.00 -0.37 0.00 0.00 57.07 56.85 2oec s TYR 1195Cb -0.01 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2oec s TYR 1195CO 0.00 0.40 0.02 -0.85 -1.57 0.00 0.00 175.55 173.56 2oec n GLU 1196N 1.77 0.04 0.00 -0.62 -0.00 -0.36 -3.80 120.64 117.67 2oec n GLU 1196Ca -0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 57.16 56.90 2oec n GLU 1196Cb 0.53 0.10 0.00 0.00 -0.00 0.00 0.00 31.44 32.07 2oec n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2oec n MET 1197N -0.02 1.07 0.00 3.44 2.81 -1.26 -0.77 117.12 122.38 2oec n MET 1197Ca -0.00 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 2oec n MET 1197Cb 0.02 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 2oec n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2oec n GLU 1198N -0.19 2.74 -0.09 0.03 4.71 -1.26 -3.67 120.64 122.90 2oec n GLU 1198Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 2oec n GLU 1198Cb 0.34 -0.76 0.04 0.00 -1.01 0.00 0.00 31.44 30.05 2oec n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2oec h SER 1199N 0.00 0.86 -0.61 1.62 4.64 -1.94 -2.06 113.55 116.06 2oec h SER 1199Ca 0.00 -0.36 0.07 0.00 -0.47 0.00 0.00 61.79 61.03 2oec h SER 1199Cb 0.08 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 61.87 2oec h SER 1199CO 0.00 1.10 0.29 0.00 -0.87 0.00 0.00 176.83 177.35 2oec h ALA 1200N 0.95 0.80 0.29 5.18 0.00 -1.87 0.21 119.26 124.81 2oec h ALA 1200Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2oec h ALA 1200Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2oec h ALA 1200CO 0.08 -0.08 -0.14 1.15 0.00 0.00 0.00 179.25 180.26 2oec h THR 1201N 0.53 0.74 -0.22 0.00 2.02 -1.88 -1.92 112.91 112.19 2oec h THR 1201Ca 0.29 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 66.98 2oec h THR 1201Cb 0.25 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 2oec h THR 1201CO -0.22 0.11 -0.14 0.25 0.37 0.00 0.00 175.52 175.89 2oec h LEU 1202N -0.68 -0.45 -0.49 2.58 5.85 -1.12 -1.43 115.31 119.56 2oec h LEU 1202Ca -0.04 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 2oec h LEU 1202Cb 0.47 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2oec h LEU 1202CO 0.06 -0.18 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.71 2oec h LEU 1203N -0.13 1.03 -0.17 2.25 3.38 -0.64 -2.32 115.31 118.72 2oec h LEU 1203Ca 0.12 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2oec h LEU 1203Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2oec h LEU 1203CO -0.30 1.20 -0.01 0.74 0.09 0.00 0.00 178.44 180.15 2oec h THR 1204N 0.87 1.27 -0.34 0.22 2.02 -1.18 -0.99 112.91 114.77 2oec h THR 1204Ca 0.11 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 2oec h THR 1204Cb 0.79 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2oec h THR 1204CO 0.07 0.27 -0.15 0.00 0.37 0.00 0.00 175.52 176.08 2oec h MET 1205N 0.04 0.60 -0.02 6.66 -0.00 -1.25 -1.91 114.93 119.05 2oec h MET 1205Ca 0.05 -0.19 -0.06 0.00 -0.00 0.00 0.00 59.70 59.49 2oec h MET 1205Cb 0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 2oec h MET 1205CO 0.01 0.73 -0.22 0.00 -0.00 0.00 0.00 176.91 177.42 2oec h ALA 1207N 0.31 1.00 -0.39 0.00 0.00 -1.11 -0.17 119.26 118.90 2oec h ALA 1207Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2oec h ALA 1207Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2oec h ALA 1207CO 0.05 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 2oec n SER 1208N -2.94 3.12 -0.33 0.00 3.41 -0.73 -4.46 113.62 111.70 2oec n SER 1208Ca -0.01 -2.07 0.01 0.00 -0.26 0.00 0.00 58.87 56.55 2oec n SER 1208Cb 0.19 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2oec n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oec n GLN 1209N 0.59 0.24 -1.81 4.33 6.02 -0.83 -5.01 117.38 120.91 2oec n GLN 1209Ca 0.14 -1.09 -0.10 0.00 -0.01 0.00 0.00 57.00 55.94 2oec n GLN 1209Cb 0.48 -0.63 -0.02 0.00 1.02 0.00 0.00 30.24 31.10 2oec n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oec n GLY 1210N -0.17 0.44 3.72 1.08 0.00 -0.97 -5.00 105.19 104.29 2oec n GLY 1210Ca 0.02 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 2oec n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oec s LEU 1211N -2.52 3.52 -0.12 0.99 1.43 -0.14 -5.05 118.68 116.80 2oec s LEU 1211Ca 0.00 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.72 2oec s LEU 1211Cb 0.00 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2oec s LEU 1211CO 0.00 0.06 0.13 -0.13 0.23 0.00 0.00 176.35 176.64 2oec s ARG 1212N -3.15 3.44 -0.05 1.70 0.52 -0.39 -3.96 118.95 117.05 2oec s ARG 1212Ca 0.30 -0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 55.25 2oec s ARG 1212Cb -0.09 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.22 2oec s ARG 1212CO 0.21 0.76 0.25 0.00 0.02 0.00 0.00 175.30 176.54 2oec s ALA 1213N -0.97 -0.62 0.09 2.13 0.00 -1.26 0.07 121.76 121.20 2oec s ALA 1213Ca 0.15 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.53 2oec s ALA 1213Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2oec s ALA 1213CO 0.04 -0.18 -0.05 0.20 0.00 0.00 0.00 175.76 175.76 2oec s GLY 1214N -0.65 0.69 -0.05 0.00 0.00 0.11 -1.11 107.32 106.30 2oec s GLY 1214Ca -0.08 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 2oec s GLY 1214CO 0.02 -1.42 0.03 -0.29 0.00 0.00 0.00 173.10 171.44 2oec s MET 1215N -3.86 0.21 0.01 2.90 1.75 -1.26 -1.34 119.30 117.71 2oec s MET 1215Ca 0.11 0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.83 2oec s MET 1215Cb 0.06 -0.66 -0.01 0.00 2.84 0.00 0.00 34.83 37.06 2oec s MET 1215CO -0.06 -0.29 -0.12 0.54 -0.65 0.00 0.00 175.02 174.44 2oec s VAL 1216N 1.91 0.98 0.03 10.11 0.11 -0.65 -1.60 120.40 131.30 2oec s VAL 1216Ca 0.03 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.34 2oec s VAL 1216Cb -0.12 -0.85 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2oec s VAL 1216CO -0.04 0.15 0.07 0.00 -3.33 0.00 0.00 175.10 171.95 2oec s ALA 1217N -0.51 -0.00 -0.16 1.54 0.00 -0.15 -1.59 121.76 120.89 2oec s ALA 1217Ca 0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 2oec s ALA 1217Cb -0.06 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2oec s ALA 1217CO 0.00 -0.29 0.06 0.20 0.00 0.00 0.00 175.76 175.73 2oec s GLY 1218N -2.06 1.92 -0.58 0.00 0.00 -0.35 -0.78 107.32 105.48 2oec s GLY 1218Ca -0.06 -0.74 -0.27 0.00 0.00 0.00 0.00 44.72 43.65 2oec s GLY 1218CO -0.04 -0.08 1.12 0.14 0.00 0.00 0.00 173.10 174.24 2oec s VAL 1219N 0.04 4.12 -1.49 1.40 1.01 -0.60 -0.73 120.40 124.16 2oec s VAL 1219Ca 0.05 0.70 0.23 0.00 0.00 0.00 0.00 61.98 62.97 2oec s VAL 1219Cb -0.12 -4.68 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 2oec s VAL 1219CO 0.01 -1.29 1.17 2.30 0.00 0.00 0.00 175.10 177.29 2oec n ILE 1220N 6.52 0.00 -3.52 2.22 -5.35 -0.73 0.03 119.36 118.52 2oec n ILE 1220Ca 0.06 -0.11 -0.16 0.00 -0.27 0.00 0.00 62.75 62.27 2oec n ILE 1220Cb 0.49 0.85 -0.06 0.00 -1.74 0.00 0.00 39.64 39.18 2oec n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2oec s VAL 1221N -2.73 0.00 -0.22 7.28 0.11 -1.22 -4.64 120.40 118.98 2oec s VAL 1221Ca 0.15 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2oec s VAL 1221Cb 0.18 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.05 2oec s VAL 1221CO 0.68 0.00 -0.12 0.21 -3.33 0.00 0.00 175.10 172.54 2oec s ASN 1222N -1.27 3.87 0.56 3.54 3.84 -1.26 -0.50 114.94 123.71 2oec s ASN 1222Ca -0.09 -0.76 0.30 0.00 0.21 0.00 0.00 52.86 52.52 2oec s ASN 1222Cb -0.00 -1.59 1.65 0.00 -0.55 0.00 0.00 41.25 40.75 2oec s ASN 1222CO 0.07 -0.07 2.15 0.03 -2.79 0.00 0.00 177.10 176.50 2oec h ARG 1223N 7.98 0.00 0.00 0.43 2.47 -1.24 -2.01 114.38 122.01 2oec h ARG 1223Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 2oec h ARG 1223Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2oec h ARG 1223CO 0.59 0.07 -0.34 0.25 0.56 0.00 0.00 179.97 181.10 2oec n THR 1224N -3.64 0.47 -4.08 2.04 -2.24 -1.26 -4.91 114.28 100.66 2oec n THR 1224Ca -0.02 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 2oec n THR 1224Cb 0.18 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 2oec n THR 1224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2oec s GLN 1225N -3.14 2.83 -0.02 -0.78 -0.21 -0.76 -5.06 119.66 112.53 2oec s GLN 1225Ca 0.08 -0.78 -0.20 0.00 0.02 0.00 0.00 55.36 54.48 2oec s GLN 1225Cb 0.13 -2.66 -0.12 0.00 1.00 0.00 0.00 33.01 31.36 2oec s GLN 1225CO 0.66 0.53 0.85 1.96 -2.12 0.00 0.00 175.29 177.17 2oec h GLN 1226N 3.00 -0.66 -6.57 2.91 4.20 -1.91 -3.46 115.11 112.62 2oec h GLN 1226Ca -0.47 0.04 -0.53 0.00 0.06 0.00 0.00 58.65 57.76 2oec h GLN 1226Cb 1.18 0.15 0.02 0.00 0.30 0.00 0.00 27.48 29.13 2oec h GLN 1226CO 0.64 -0.41 0.69 -1.21 -0.67 0.00 0.00 178.83 177.86 2oec s GLU 1227N -3.90 4.35 -0.24 1.46 2.02 -1.26 -5.01 118.70 116.13 2oec s GLU 1227Ca -0.11 2.04 -0.03 0.00 0.02 0.00 0.00 54.97 56.89 2oec s GLU 1227Cb 0.01 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 31.00 2oec s GLU 1227CO 0.33 -0.37 -0.05 0.42 0.02 0.00 0.00 175.26 175.62 2oec s ILE 1228N 0.84 3.18 0.61 -1.63 1.01 -1.26 -4.84 121.20 119.10 2oec s ILE 1228Ca 0.62 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 2oec s ILE 1228Cb -0.36 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2oec s ILE 1228CO 0.32 0.31 1.19 -2.84 0.00 0.00 0.00 174.94 173.93 2oec s PRO 1229N 1.42 2.89 1.04 2.79 0.02 -1.26 -5.03 135.00 136.87 2oec s PRO 1229Ca 0.03 1.75 -0.17 0.00 0.02 0.00 0.00 61.00 62.63 2oec s PRO 1229Cb -0.15 -1.93 0.22 0.00 0.02 0.00 0.00 34.50 32.66 2oec s PRO 1229CO -0.04 -1.25 1.24 0.54 -0.33 0.00 0.00 177.00 177.16 2oec s ASN 1230N -1.77 2.40 0.61 2.53 4.22 -1.26 -4.85 114.94 116.82 2oec s ASN 1230Ca 0.75 0.43 0.34 0.00 -2.14 0.00 0.00 52.86 52.25 2oec s ASN 1230Cb -0.28 -0.58 1.96 0.00 1.28 0.00 0.00 41.25 43.63 2oec s ASN 1230CO 0.35 -3.19 2.27 0.00 -2.04 0.00 0.00 177.10 174.49 2oec h ALA 1231N -1.95 1.34 0.19 3.54 0.00 -1.98 -2.69 119.26 117.71 2oec h ALA 1231Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2oec h ALA 1231Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2oec h ALA 1231CO 0.38 0.02 -0.09 1.49 0.00 0.00 0.00 179.25 181.05 2oec h GLU 1232N 0.00 -0.25 0.00 0.00 4.81 -1.99 0.13 114.58 117.28 2oec h GLU 1232Ca -0.00 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2oec h GLU 1232Cb 0.04 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2oec h GLU 1232CO 0.00 0.12 -0.47 1.79 -0.73 0.00 0.00 179.01 179.72 2oec h THR 1233N -0.68 1.24 -0.13 0.32 1.35 -1.92 -2.21 112.91 110.88 2oec h THR 1233Ca -0.03 -1.66 -0.03 0.00 -0.55 0.00 0.00 66.41 64.14 2oec h THR 1233Cb 0.48 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2oec h THR 1233CO 0.04 0.46 -0.03 0.24 -0.25 0.00 0.00 175.52 175.98 2oec h MET 1234N 0.00 0.26 -0.38 4.72 2.86 -1.41 -0.28 114.93 120.70 2oec h MET 1234Ca -0.00 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2oec h MET 1234Cb 0.88 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 2oec h MET 1234CO 0.06 0.55 0.25 -0.22 1.06 0.00 0.00 176.91 178.61 2oec h LYS 1235N -0.05 0.48 -0.46 1.72 3.64 -0.70 0.78 116.57 121.99 2oec h LYS 1235Ca 0.03 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2oec h LYS 1235Cb 0.46 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2oec h LYS 1235CO 0.01 0.32 -0.12 0.37 -2.27 0.00 0.00 179.45 177.76 2oec h GLN 1236N 0.50 0.89 -0.03 1.90 4.15 -1.12 -2.11 115.11 119.28 2oec h GLN 1236Ca 0.14 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 2oec h GLN 1236Cb -0.04 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 2oec h GLN 1236CO -0.03 0.99 0.01 1.15 -1.93 0.00 0.00 178.83 179.02 2oec h THR 1237N 0.72 1.14 -0.91 2.39 2.02 0.10 -2.98 112.91 115.40 2oec h THR 1237Ca 0.11 -0.42 0.14 0.00 0.77 0.00 0.00 66.41 67.01 2oec h THR 1237Cb 0.67 1.37 -0.09 0.00 -1.74 0.00 0.00 68.15 68.36 2oec h THR 1237CO 0.05 0.11 0.53 -0.08 0.37 0.00 0.00 175.52 176.50 2oec h GLU 1238N -0.12 0.75 -0.73 6.66 4.81 -0.83 -1.68 114.58 123.44 2oec h GLU 1238Ca 0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2oec h GLU 1238Cb 0.18 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2oec h GLU 1238CO -0.00 0.50 0.39 0.77 -0.73 0.00 0.00 179.01 179.94 2oec h SER 1239N 0.78 0.92 -0.09 1.04 0.02 -1.25 -1.11 113.55 113.85 2oec h SER 1239Ca 0.48 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2oec h SER 1239Cb 0.60 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2oec h SER 1239CO -0.32 0.76 0.05 0.45 -1.14 0.00 0.00 176.83 176.63 2oec h HIS 1240N 1.00 0.12 -0.85 3.45 3.86 -1.17 0.32 115.15 121.89 2oec h HIS 1240Ca 0.25 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2oec h HIS 1240Cb 0.05 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 2oec h HIS 1240CO 0.00 0.12 0.53 0.00 0.86 0.00 0.00 177.93 179.44 2oec h ALA 1241N 0.99 1.08 -0.44 2.45 0.00 -1.32 -1.07 119.26 120.95 2oec h ALA 1241Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2oec h ALA 1241Cb 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2oec h ALA 1241CO -0.01 0.53 0.12 0.28 0.00 0.00 0.00 179.25 180.16 2oec h VAL 1242N 1.16 1.23 -0.93 0.00 2.07 -0.97 -0.57 116.25 118.24 2oec h VAL 1242Ca 0.31 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 67.11 2oec h VAL 1242Cb -0.08 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2oec h VAL 1242CO -0.06 0.28 0.60 0.11 0.02 0.00 0.00 177.57 178.52 2oec h LYS 1243N 0.57 1.02 -0.15 1.57 1.57 -0.62 -2.37 116.57 118.16 2oec h LYS 1243Ca 0.14 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 2oec h LYS 1243Cb 0.30 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2oec h LYS 1243CO -0.00 0.67 -0.62 0.82 -0.57 0.00 0.00 179.45 179.75 2oec h ILE 1244N 1.05 1.33 -0.16 1.86 2.04 -0.68 -1.69 117.51 121.26 2oec h ILE 1244Ca 0.41 -1.91 -0.16 0.00 1.00 0.00 0.00 64.86 64.20 2oec h ILE 1244Cb 0.22 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2oec h ILE 1244CO -0.16 0.59 -0.56 1.62 0.00 0.00 0.00 178.15 179.64 2oec h VAL 1245N 0.40 1.33 -0.07 1.67 3.04 -0.81 -0.45 116.25 121.37 2oec h VAL 1245Ca -0.01 -1.83 -0.03 0.00 -1.01 0.00 0.00 66.70 63.82 2oec h VAL 1245Cb 1.18 1.82 -0.00 0.00 -2.01 0.00 0.00 31.29 32.28 2oec h VAL 1245CO 0.12 0.56 -0.08 0.58 -1.01 0.00 0.00 177.57 177.74 2oec h VAL 1246N 0.37 1.38 -0.88 1.51 2.07 -1.40 -0.78 116.25 118.52 2oec h VAL 1246Ca 0.00 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.29 2oec h VAL 1246Cb 1.09 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 2oec h VAL 1246CO 0.10 0.35 0.57 -0.08 0.02 0.00 0.00 177.57 178.53 2oec h GLU 1247N -0.26 1.07 -0.64 1.57 4.57 -1.31 -2.12 114.58 117.46 2oec h GLU 1247Ca 0.01 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2oec h GLU 1247Cb 0.60 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 2oec h GLU 1247CO 0.02 0.71 0.24 0.00 -1.18 0.00 0.00 179.01 178.80 2oec h ALA 1248N 1.36 1.21 -0.83 2.92 0.00 -0.99 -2.81 119.26 120.12 2oec h ALA 1248Ca 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2oec h ALA 1248Cb -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2oec h ALA 1248CO -0.11 0.57 0.48 0.00 0.00 0.00 0.00 179.25 180.19 2oec h ALA 1249N 1.33 1.06 -0.99 0.00 0.00 -0.49 -2.53 119.26 117.63 2oec h ALA 1249Ca 0.22 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.23 2oec h ALA 1249Cb 0.21 -0.33 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 2oec h ALA 1249CO -0.02 0.53 0.62 0.00 0.00 0.00 0.00 179.25 180.39 2oec h ARG 1250N 1.14 0.61 0.00 0.00 3.08 -1.17 0.02 114.38 118.06 2oec h ARG 1250Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2oec h ARG 1250Cb -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2oec h ARG 1250CO -0.05 0.40 0.00 0.54 -1.07 0.00 0.00 179.97 179.79 2oec n ARG 1251N -4.69 0.29 -0.15 0.04 1.74 -0.96 -3.30 116.66 109.63 2oec n ARG 1251Ca 0.23 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.38 2oec n ARG 1251Cb 0.65 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.73 2oec n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2oec n LEU 1252N -1.35 2.77 -0.42 0.55 4.77 -0.01 -5.04 117.00 118.26 2oec n LEU 1252Ca 0.12 -1.85 0.14 0.00 -0.03 0.00 0.00 56.01 54.39 2oec n LEU 1252Cb 0.26 -0.19 0.57 0.00 -2.33 0.00 0.00 43.42 41.73 2oec n LEU 1252CO 0.23 0.67 0.90 0.18 -1.33 0.00 0.00 177.39 178.05