#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oec s SER 1004N 0.00 -0.70 0.00 4.39 0.15 -1.26 -4.35 113.70 111.94 2oec s SER 1004Ca 0.00 1.24 0.24 0.00 0.70 0.00 0.00 55.95 58.13 2oec s SER 1004Cb 0.00 1.19 0.27 0.00 -1.71 0.00 0.00 66.02 65.77 2oec s SER 1004CO 0.00 -0.21 1.25 0.47 1.20 0.00 0.00 173.24 175.94 2oec n ASP 1005N 3.45 0.81 -4.38 5.45 8.00 0.36 -4.90 116.55 125.35 2oec n ASP 1005Ca -0.17 -0.64 -0.19 0.00 0.71 0.00 0.00 54.79 54.50 2oec n ASP 1005Cb 0.57 0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 42.05 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 -2.91 1.61 0.11 2.53 -7.23 -1.20 -5.04 120.40 108.28 2oec s VAL 1006Ca 0.12 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.12 2oec s VAL 1006Cb 0.17 -2.25 -0.22 0.00 0.56 0.00 0.00 36.38 34.64 2oec s VAL 1006CO 0.73 -0.44 1.25 0.15 -0.31 0.00 0.00 175.10 176.48 2oec h PHE 1007N 2.43 0.44 0.00 2.82 3.57 -1.94 -3.39 116.94 120.87 2oec h PHE 1007Ca -0.39 -0.28 -0.22 0.00 3.53 0.00 0.00 57.97 60.61 2oec h PHE 1007Cb 1.23 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 2oec h PHE 1007CO 0.69 1.15 -1.78 0.72 -2.23 0.00 0.00 178.31 176.85 2oec n HIS 1008N -3.60 0.00 0.28 0.41 8.25 -1.26 -4.73 115.22 114.57 2oec n HIS 1008Ca -0.06 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.57 2oec n HIS 1008Cb 0.92 -0.51 0.70 0.00 1.12 0.00 0.00 29.99 32.22 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 -0.30 0.00 1.56 2.41 3.38 -1.92 -3.44 115.31 117.00 2oec h LEU 1009Ca -0.34 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.39 2oec h LEU 1009Cb 1.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 2oec h LEU 1009CO -0.15 0.03 -0.30 0.61 0.09 0.00 0.00 178.44 178.72 2oec n GLY 1010N -0.05 0.07 3.56 0.83 0.00 -1.26 -4.69 105.19 103.65 2oec n GLY 1010Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.37 2.98 0.35 0.99 1.43 -1.26 -4.72 118.68 115.09 2oec s LEU 1011Ca 0.00 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 2oec s LEU 1011Cb 0.00 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2oec s LEU 1011CO 0.00 0.19 0.21 0.42 0.23 0.00 0.00 176.35 177.40 2oec s THR 1012N -1.16 3.03 0.32 5.49 -4.23 -1.26 -0.48 115.64 117.34 2oec s THR 1012Ca 0.20 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2oec s THR 1012Cb -0.11 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.91 2oec s THR 1012CO 0.12 -0.14 1.92 0.50 -0.54 0.00 0.00 174.62 176.48 2oec h LYS 1013N 1.41 0.79 -0.99 3.99 3.64 -1.96 -2.36 116.57 121.08 2oec h LYS 1013Ca -0.44 -0.10 0.15 0.00 -1.27 0.00 0.00 60.65 58.99 2oec h LYS 1013Cb 1.25 -0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 2oec h LYS 1013CO 0.62 0.62 0.61 -0.97 -2.27 0.00 0.00 179.45 178.07 2oec h ASN 1014N 0.79 0.85 -0.83 4.20 -1.24 -1.95 -1.73 115.58 115.67 2oec h ASN 1014Ca 0.19 0.07 0.12 0.00 0.71 0.00 0.00 56.30 57.40 2oec h ASN 1014Cb 0.11 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.01 2oec h ASN 1014CO -0.02 0.39 0.54 0.44 -1.29 0.00 0.00 177.43 177.48 2oec h ASP 1015N 0.88 0.61 1.33 1.15 3.32 -1.82 -1.85 116.42 120.03 2oec h ASP 1015Ca 0.53 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.61 2oec h ASP 1015Cb 0.67 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2oec h ASP 1015CO -0.32 0.33 0.00 -0.07 -1.72 0.00 0.00 179.24 177.46 2oec h LEU 1016N 0.65 0.00 -1.50 1.55 4.07 -1.41 -3.48 115.31 115.19 2oec h LEU 1016Ca 0.40 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.85 2oec h LEU 1016Cb 0.63 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.27 2oec h LEU 1016CO -0.16 0.00 -0.85 0.00 -1.08 0.00 0.00 178.44 176.35 2oec n GLN 1017N -2.74 -3.61 -0.75 1.13 6.02 -0.70 -1.31 117.38 115.42 2oec n GLN 1017Ca 0.03 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2oec n GLN 1017Cb 0.38 -4.88 0.00 0.00 1.02 0.00 0.00 30.24 26.76 2oec n GLN 1017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oec n GLY 1018N -1.73 0.75 3.76 1.08 0.00 -1.26 -4.67 105.19 103.12 2oec n GLY 1018Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2oec n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec s ALA 1019N -2.72 3.20 0.00 4.61 0.00 -0.43 -4.90 121.76 121.51 2oec s ALA 1019Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2oec s ALA 1019Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2oec s ALA 1019CO 0.00 -1.14 0.25 1.04 0.00 0.00 0.00 175.76 175.91 2oec n GLN 1020N -0.23 0.44 -4.79 0.00 6.02 -1.26 -4.19 117.38 113.36 2oec n GLN 1020Ca 0.05 -0.25 -0.26 0.00 -0.01 0.00 0.00 57.00 56.53 2oec n GLN 1020Cb 0.42 -0.71 -0.16 0.00 1.02 0.00 0.00 30.24 30.81 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 -0.27 1.87 -0.03 1.08 0.20 -1.26 -0.26 118.68 120.01 2oec s LEU 1021Ca 0.00 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.52 2oec s LEU 1021Cb 0.00 -0.95 -0.01 0.00 -0.43 0.00 0.00 46.19 44.80 2oec s LEU 1021CO 0.00 0.13 -0.18 0.00 -0.29 0.00 0.00 176.35 176.00 2oec s ALA 1022N 0.19 1.57 -0.13 5.97 0.00 -0.17 -1.43 121.76 127.76 2oec s ALA 1022Ca -0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 2oec s ALA 1022Cb -0.13 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 2oec s ALA 1022CO 0.03 0.34 0.38 0.42 0.00 0.00 0.00 175.76 176.93 2oec s ILE 1023N -0.23 5.24 -0.47 0.00 1.01 0.11 -0.92 121.20 125.94 2oec s ILE 1023Ca 0.02 0.74 0.03 0.00 0.00 0.00 0.00 60.65 61.44 2oec s ILE 1023Cb -0.09 -3.71 0.13 0.00 0.01 0.00 0.00 42.46 38.79 2oec s ILE 1023CO 0.01 0.38 0.22 0.68 0.00 0.00 0.00 174.94 176.23 2oec s VAL 1024N 0.39 2.10 0.87 2.92 -7.23 0.40 -1.68 120.40 118.16 2oec s VAL 1024Ca 0.21 -2.89 -0.12 0.00 -1.81 0.00 0.00 61.98 57.37 2oec s VAL 1024Cb -0.14 -2.48 0.11 0.00 0.56 0.00 0.00 36.38 34.43 2oec s VAL 1024CO 0.07 -0.80 1.13 -2.16 -0.31 0.00 0.00 175.10 173.03 2oec s PRO 1025N 0.12 1.52 -0.11 4.82 0.05 -1.23 -3.40 135.00 136.77 2oec s PRO 1025Ca 0.16 0.36 -0.07 0.00 0.05 0.00 0.00 61.00 61.50 2oec s PRO 1025Cb -0.24 -1.88 -0.27 0.00 0.05 0.00 0.00 34.50 32.16 2oec s PRO 1025CO -0.02 -1.95 0.42 0.78 0.05 0.00 0.00 177.00 176.28 2oec h GLY 1026N -1.32 0.32 -6.16 0.56 0.00 -1.83 -0.71 103.07 93.92 2oec h GLY 1026Ca -0.49 -0.81 -0.60 0.00 0.00 0.00 0.00 47.33 45.43 2oec h GLY 1026CO 0.62 0.71 0.34 -0.35 0.00 0.00 0.00 176.54 177.86 2oec s ASP 1027N -7.05 6.69 0.56 0.19 -1.08 -1.26 -1.44 116.67 113.28 2oec s ASP 1027Ca -0.21 0.80 0.27 0.00 -0.52 0.00 0.00 52.55 52.89 2oec s ASP 1027Cb 0.06 -2.39 1.49 0.00 -1.46 0.00 0.00 42.92 40.62 2oec s ASP 1027CO 0.78 -0.50 2.00 -0.65 0.52 0.00 0.00 175.17 177.33 2oec h PRO 1028N 7.89 0.00 -0.01 4.34 0.11 -1.90 -0.88 132.00 141.56 2oec h PRO 1028Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2oec h PRO 1028Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2oec h PRO 1028CO 0.84 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 179.00 2oec n GLU 1029N -4.06 1.19 0.00 1.05 1.02 -1.26 -3.06 120.64 115.52 2oec n GLU 1029Ca 0.07 -0.41 0.11 0.00 -0.02 0.00 0.00 57.16 56.91 2oec n GLU 1029Cb 0.54 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 2oec n GLU 1029CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2oec n ARG 1030N -0.55 0.97 0.13 3.49 5.12 -0.33 -4.53 116.66 120.97 2oec n ARG 1030Ca 0.20 -0.76 -0.14 0.00 -1.93 0.00 0.00 57.85 55.23 2oec n ARG 1030Cb 0.23 -1.47 -0.08 0.00 -1.16 0.00 0.00 32.46 29.98 2oec n ARG 1030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2oec h VAL 1031N 1.85 0.84 -0.49 1.55 2.07 -1.63 -2.08 116.25 118.35 2oec h VAL 1031Ca 0.00 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.38 2oec h VAL 1031Cb 0.69 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 2oec h VAL 1031CO 0.00 0.05 0.01 -0.33 0.02 0.00 0.00 177.57 177.32 2oec h GLU 1032N -0.40 0.12 -0.64 1.57 5.08 -1.80 0.17 114.58 118.68 2oec h GLU 1032Ca -0.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2oec h GLU 1032Cb 0.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2oec h GLU 1032CO 0.05 0.08 0.19 0.87 -1.00 0.00 0.00 179.01 179.20 2oec h LYS 1033N 0.13 0.99 -0.09 2.33 1.57 -1.78 0.35 116.57 120.07 2oec h LYS 1033Ca 0.25 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2oec h LYS 1033Cb 0.37 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2oec h LYS 1033CO -0.40 0.85 -0.05 0.82 -0.57 0.00 0.00 179.45 180.10 2oec h ILE 1034N 0.95 1.33 -0.90 1.86 2.04 -0.99 -3.06 117.51 118.75 2oec h ILE 1034Ca 0.21 -1.11 0.12 0.00 1.00 0.00 0.00 64.86 65.08 2oec h ILE 1034Cb 0.28 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.18 2oec h ILE 1034CO -0.01 0.31 0.58 0.00 0.00 0.00 0.00 178.15 179.03 2oec h ALA 1035N 0.61 1.72 0.00 1.87 0.00 -0.44 -1.36 119.26 121.66 2oec h ALA 1035Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2oec h ALA 1035Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2oec h ALA 1035CO 0.01 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2oec h ALA 1036N 1.58 1.00 0.00 0.00 0.00 -0.22 -0.49 119.26 121.13 2oec h ALA 1036Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2oec h ALA 1036Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2oec h ALA 1036CO -0.20 0.00 -0.15 1.28 0.00 0.00 0.00 179.25 180.18 2oec n LEU 1037N -2.37 0.40 -4.81 0.00 4.77 -0.51 -4.90 117.00 109.58 2oec n LEU 1037Ca -0.01 0.42 -0.28 0.00 -0.03 0.00 0.00 56.01 56.11 2oec n LEU 1037Cb 0.08 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 2oec n LEU 1037CO 0.13 -0.04 -0.10 -0.04 -1.33 0.00 0.00 177.39 176.01 2oec s MET 1038N -3.05 2.23 0.46 3.23 -1.94 -0.20 -5.12 119.30 114.92 2oec s MET 1038Ca 0.12 -2.07 -0.20 0.00 -1.71 0.00 0.00 55.69 51.83 2oec s MET 1038Cb 0.16 -1.91 -0.10 0.00 2.01 0.00 0.00 34.83 35.00 2oec s MET 1038CO 0.60 -0.39 0.97 -0.51 -0.01 0.00 0.00 175.02 175.68 2oec s ASP 1039N -4.05 6.77 -1.47 3.03 1.01 -0.25 -4.26 116.67 117.44 2oec s ASP 1039Ca 0.28 1.69 -0.04 0.00 0.71 0.00 0.00 52.55 55.20 2oec s ASP 1039Cb 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2oec s ASP 1039CO 0.17 -0.48 0.18 0.29 0.21 0.00 0.00 175.17 175.54 2oec n LYS 1040N -0.92 -1.45 -2.19 8.23 5.02 -1.26 -0.39 118.16 125.19 2oec n LYS 1040Ca 0.07 0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 2oec n LYS 1040Cb 0.54 -3.72 -0.03 0.00 -0.02 0.00 0.00 35.03 31.79 2oec n LYS 1040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2oec s PRO 1041N -7.16 4.33 0.01 1.97 0.04 -1.26 -4.47 135.00 128.46 2oec s PRO 1041Ca 0.06 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.15 2oec s PRO 1041Cb -0.03 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2oec s PRO 1041CO 0.97 -0.41 -0.03 0.08 0.04 0.00 0.00 177.00 177.65 2oec s VAL 1042N 1.06 0.16 0.39 -0.36 1.01 0.63 -5.00 120.40 118.30 2oec s VAL 1042Ca 0.64 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 2oec s VAL 1042Cb -0.36 -0.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.73 2oec s VAL 1042CO 0.30 -0.17 1.22 -0.75 0.00 0.00 0.00 175.10 175.71 2oec s LYS 1043N -0.62 4.06 -0.02 2.72 2.36 -1.26 -0.59 119.74 126.40 2oec s LYS 1043Ca -0.05 1.98 -0.07 0.00 -2.55 0.00 0.00 55.97 55.27 2oec s LYS 1043Cb -0.04 -2.75 -0.02 0.00 -1.05 0.00 0.00 37.83 33.96 2oec s LYS 1043CO -0.00 -0.36 -0.14 1.28 1.55 0.00 0.00 175.35 177.68 2oec n LEU 1044N 0.18 1.45 -3.47 5.43 4.77 0.22 -4.79 117.00 120.78 2oec n LEU 1044Ca 0.04 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 2oec n LEU 1044Cb 0.45 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2oec n LEU 1044CO 0.53 -0.55 0.56 0.00 -1.33 0.00 0.00 177.39 176.61 2oec s ALA 1045N -2.37 -1.73 -0.14 -1.18 0.00 -1.07 -5.00 121.76 110.26 2oec s ALA 1045Ca -0.12 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 2oec s ALA 1045Cb 0.02 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.76 2oec s ALA 1045CO 0.18 -0.70 0.08 0.45 0.00 0.00 0.00 175.76 175.76 2oec s SER 1046N -2.51 2.08 -0.02 0.00 0.15 -1.26 -0.83 113.70 111.32 2oec s SER 1046Ca 0.03 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2oec s SER 1046Cb -0.01 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 2oec s SER 1046CO -0.10 -0.32 0.02 -1.00 1.20 0.00 0.00 173.24 173.04 2oec s HIS 1047N 2.13 0.07 0.00 3.44 3.76 -0.32 -4.98 115.29 119.38 2oec s HIS 1047Ca 0.03 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 2oec s HIS 1047Cb -0.15 -0.20 0.00 0.00 1.11 0.00 0.00 32.58 33.34 2oec s HIS 1047CO -0.07 -0.07 0.00 0.54 -0.85 0.00 0.00 174.74 174.29 2oec n ARG 1048N 3.86 0.00 -0.17 1.40 5.12 -1.26 0.19 116.66 125.80 2oec n ARG 1048Ca -0.23 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.72 2oec n ARG 1048Cb 0.53 0.00 0.12 0.00 -1.16 0.00 0.00 32.46 31.94 2oec n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2oec n GLU 1049N 14.00 1.76 -3.52 5.56 0.00 -1.26 -4.74 120.64 132.44 2oec n GLU 1049Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 57.16 55.81 2oec n GLU 1049Cb 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 31.44 30.04 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 -1.65 3.52 -0.17 -1.84 0.08 0.13 -3.97 117.98 114.07 2oec s PHE 1050Ca 0.17 -2.13 -0.06 0.00 0.12 0.00 0.00 56.93 55.03 2oec s PHE 1050Cb 0.10 -3.53 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 2oec s PHE 1050CO 0.10 -0.95 0.03 0.99 -0.10 0.00 0.00 175.22 175.29 2oec s THR 1051N 0.58 4.54 -0.03 0.64 2.01 -1.26 -1.18 115.64 120.94 2oec s THR 1051Ca 0.13 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.05 2oec s THR 1051Cb -0.20 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 2oec s THR 1051CO -0.04 0.47 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.26 2oec s SER 1052N 0.36 1.96 0.15 3.53 1.04 -0.01 -1.34 113.70 119.39 2oec s SER 1052Ca 0.01 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.21 2oec s SER 1052Cb -0.13 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 2oec s SER 1052CO 0.01 0.17 -0.19 0.26 0.98 0.00 0.00 173.24 174.47 2oec s TRP 1053N -0.16 1.82 0.08 5.02 0.52 0.18 -0.61 118.94 125.80 2oec s TRP 1053Ca 0.01 -0.46 0.06 0.00 0.02 0.00 0.00 56.10 55.74 2oec s TRP 1053Cb -0.09 -0.93 -0.04 0.00 -1.15 0.00 0.00 33.47 31.27 2oec s TRP 1053CO 0.01 0.31 -0.09 0.50 0.02 0.00 0.00 176.95 177.70 2oec s ARG 1054N -2.62 2.25 0.00 4.98 3.52 0.24 -0.43 118.95 126.89 2oec s ARG 1054Ca 0.14 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 2oec s ARG 1054Cb -0.07 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 2oec s ARG 1054CO 0.06 0.53 0.00 0.00 -0.81 0.00 0.00 175.30 175.08 2oec n ALA 1055N 0.92 0.00 -3.10 6.12 0.00 0.75 -0.27 120.51 124.93 2oec n ALA 1055Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 2oec n ALA 1055Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 2oec n ALA 1055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2oec s GLU 1056N -0.91 0.05 -0.16 0.00 2.12 0.47 -0.94 118.70 119.32 2oec s GLU 1056Ca 0.00 0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.41 2oec s GLU 1056Cb 0.00 -0.03 0.05 0.00 0.26 0.00 0.00 34.13 34.42 2oec s GLU 1056CO 0.00 -0.04 0.03 -1.17 -0.54 0.00 0.00 175.26 173.54 2oec s LEU 1057N 0.26 0.92 -1.44 2.70 2.96 0.75 -1.09 118.68 123.74 2oec s LEU 1057Ca -0.02 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 2oec s LEU 1057Cb -0.03 -0.51 0.04 0.00 0.50 0.00 0.00 46.19 46.19 2oec s LEU 1057CO -0.01 -0.28 0.76 0.47 -1.32 0.00 0.00 176.35 175.97 2oec n ASP 1058N 5.10 -2.48 -0.20 3.68 8.00 -1.26 -1.10 116.55 128.30 2oec n ASP 1058Ca -0.08 -0.85 -0.03 0.00 0.71 0.00 0.00 54.79 54.54 2oec n ASP 1058Cb 0.48 -3.71 -0.01 0.00 -0.02 0.00 0.00 41.12 37.86 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 -1.68 0.57 3.22 0.44 0.00 -1.26 -5.02 105.19 101.46 2oec n GLY 1059Ca -0.15 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.41 2.39 0.08 1.61 1.02 -0.25 -5.10 119.74 118.08 2oec s LYS 1060Ca 0.00 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.86 2oec s LYS 1060Cb 0.00 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 2oec s LYS 1060CO 0.00 0.32 1.48 0.00 -0.92 0.00 0.00 175.35 176.23 2oec s ALA 1061N -0.05 3.64 0.05 5.17 0.00 -1.26 -0.18 121.76 129.13 2oec s ALA 1061Ca -0.05 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.09 2oec s ALA 1061Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 2oec s ALA 1061CO 0.04 -0.83 -0.21 0.08 0.00 0.00 0.00 175.76 174.84 2oec s VAL 1062N 1.80 1.70 -0.10 0.00 1.01 -0.12 -4.19 120.40 120.51 2oec s VAL 1062Ca 0.67 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2oec s VAL 1062Cb -0.37 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2oec s VAL 1062CO 0.30 0.18 -0.02 -0.63 0.00 0.00 0.00 175.10 174.93 2oec s ILE 1063N -0.84 4.07 -0.14 2.22 -1.09 -0.52 -0.18 121.20 124.73 2oec s ILE 1063Ca 0.08 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 2oec s ILE 1063Cb -0.09 -2.72 -0.00 0.00 -1.58 0.00 0.00 42.46 38.07 2oec s ILE 1063CO 0.02 0.58 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.45 2oec s VAL 1064N -0.57 2.58 -0.11 2.92 1.01 0.42 0.04 120.40 126.69 2oec s VAL 1064Ca 0.09 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2oec s VAL 1064Cb -0.12 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.25 2oec s VAL 1064CO 0.02 0.53 0.25 0.00 0.00 0.00 0.00 175.10 175.90 2oec s SER 1066N 1.42 6.13 -0.01 0.00 1.04 -0.45 -3.58 113.70 118.25 2oec s SER 1066Ca -0.08 1.70 0.12 0.00 0.48 0.00 0.00 55.95 58.18 2oec s SER 1066Cb -0.11 -2.52 -0.18 0.00 0.10 0.00 0.00 66.02 63.32 2oec s SER 1066CO -0.09 -0.93 0.32 0.35 0.98 0.00 0.00 173.24 173.87 2oec n THR 1067N -1.88 0.00 -0.14 2.02 -2.24 -0.27 -4.46 114.28 107.30 2oec n THR 1067Ca 0.08 -0.27 0.02 0.00 -2.27 0.00 0.00 64.05 61.61 2oec n THR 1067Cb 0.53 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.70 -1.43 3.68 3.38 0.00 -0.52 -3.16 105.19 108.84 2oec n GLY 1068Ca -0.01 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.26 4.83 0.00 -0.61 1.01 -1.26 -4.68 121.20 119.23 2oec s ILE 1069Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.50 2oec s ILE 1069Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2oec s ILE 1069CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2oec n GLY 1070N 3.23 1.76 0.25 6.18 0.00 -1.25 -4.73 105.19 110.64 2oec n GLY 1070Ca 0.07 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 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 0.87 0.38 -0.02 0.00 -1.86 -2.72 103.07 99.73 2oec h GLY 1071Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.91 2oec h GLY 1071CO 0.00 0.43 -0.32 -2.55 0.00 0.00 0.00 176.54 174.09 2oec h PRO 1072N 0.75 -0.50 -0.45 4.80 0.11 -1.94 0.35 132.00 135.12 2oec h PRO 1072Ca 0.19 0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.21 2oec h PRO 1072Cb 0.15 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2oec h PRO 1072CO -0.02 -0.33 -0.21 0.66 -0.21 0.00 0.00 178.00 177.89 2oec h SER 1073N -0.52 0.92 -0.70 -2.05 4.64 -1.80 -2.64 113.55 111.40 2oec h SER 1073Ca 0.04 -0.34 0.11 0.00 -0.47 0.00 0.00 61.79 61.13 2oec h SER 1073Cb 0.57 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 62.33 2oec h SER 1073CO -0.22 1.10 0.32 0.74 -0.87 0.00 0.00 176.83 177.89 2oec h THR 1074N 0.79 0.78 -0.07 2.95 2.02 -1.25 -1.18 112.91 116.95 2oec h THR 1074Ca 0.11 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2oec h THR 1074Cb 0.75 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2oec h THR 1074CO 0.06 0.10 -0.25 0.77 0.37 0.00 0.00 175.52 176.57 2oec h SER 1075N 0.52 0.11 -0.15 4.18 4.64 0.04 -1.01 113.55 121.88 2oec h SER 1075Ca 0.36 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.60 2oec h SER 1075Cb 0.44 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2oec h SER 1075CO -0.31 0.37 -0.12 0.40 -0.87 0.00 0.00 176.83 176.29 2oec h ILE 1076N 0.10 1.33 -0.17 0.95 2.04 -1.00 -2.10 117.51 118.68 2oec h ILE 1076Ca 0.02 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 2oec h ILE 1076Cb 0.51 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2oec h ILE 1076CO 0.04 0.37 0.08 0.00 0.00 0.00 0.00 178.15 178.63 2oec h ALA 1077N 0.63 0.22 -0.03 1.87 0.00 -0.80 -1.35 119.26 119.80 2oec h ALA 1077Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2oec h ALA 1077Cb 0.63 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2oec h ALA 1077CO 0.03 -0.22 0.01 0.28 0.00 0.00 0.00 179.25 179.35 2oec h VAL 1078N 0.13 1.17 -0.26 0.00 2.07 -1.29 -0.77 116.25 117.32 2oec h VAL 1078Ca 0.06 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2oec h VAL 1078Cb 0.13 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2oec h VAL 1078CO -0.01 0.14 -0.05 -0.08 0.02 0.00 0.00 177.57 177.60 2oec h GLU 1079N -0.16 0.02 -0.28 1.57 4.57 -1.34 0.13 114.58 119.09 2oec h GLU 1079Ca 0.01 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 2oec h GLU 1079Cb 0.22 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2oec h GLU 1079CO -0.00 0.01 -0.43 0.93 -1.18 0.00 0.00 179.01 178.34 2oec h GLU 1080N 0.02 0.71 -0.82 1.92 5.08 -1.19 0.21 114.58 120.51 2oec h GLU 1080Ca 0.12 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2oec h GLU 1080Cb 0.18 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2oec h GLU 1080CO -0.25 1.00 0.43 -0.07 -1.00 0.00 0.00 179.01 179.13 2oec h LEU 1081N 0.57 1.04 -0.73 1.33 3.38 -0.95 -1.06 115.31 118.88 2oec h LEU 1081Ca 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2oec h LEU 1081Cb 0.98 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2oec h LEU 1081CO 0.09 0.85 0.45 0.00 0.09 0.00 0.00 178.44 179.92 2oec h ALA 1082N 1.23 0.93 -0.47 1.53 0.00 -0.25 0.29 119.26 122.53 2oec h ALA 1082Ca 0.29 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2oec h ALA 1082Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2oec h ALA 1082CO -0.04 0.40 0.32 1.96 0.00 0.00 0.00 179.25 181.88 2oec h GLN 1083N 1.00 0.27 -0.00 0.00 4.20 -0.38 -1.10 115.11 119.10 2oec h GLN 1083Ca 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2oec h GLN 1083Cb -0.04 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2oec h GLN 1083CO -0.05 0.18 -0.12 1.28 -0.67 0.00 0.00 178.83 179.45 2oec n LEU 1084N -4.46 0.45 0.00 1.46 7.99 -0.01 -4.91 117.00 117.51 2oec n LEU 1084Ca 0.07 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 2oec n LEU 1084Cb 0.34 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 2oec n LEU 1084CO 0.35 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.92 2oec n GLY 1085N 1.29 1.08 3.74 -0.72 0.00 -0.42 -4.83 105.19 105.33 2oec n GLY 1085Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 2.51 0.00 -0.61 -1.09 -0.58 -4.60 121.20 114.83 2oec s ILE 1086Ca 0.00 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 2oec s ILE 1086Cb 0.00 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 2oec s ILE 1086CO 0.00 0.05 0.00 0.54 -1.23 0.00 0.00 174.94 174.30 2oec n ARG 1087N 2.90 4.54 -4.27 2.79 5.12 0.64 -4.22 116.66 124.16 2oec n ARG 1087Ca 0.10 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.78 2oec n ARG 1087Cb 0.39 -0.62 -0.17 0.00 -1.16 0.00 0.00 32.46 30.90 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 -1.22 0.94 -0.11 0.55 2.01 -0.47 -0.85 115.64 116.50 2oec s THR 1088Ca 0.00 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2oec s THR 1088Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2oec s THR 1088CO 0.00 0.33 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.68 2oec s PHE 1089N 1.07 2.44 -0.27 4.92 0.40 0.55 -1.00 117.98 126.08 2oec s PHE 1089Ca -0.08 -1.07 0.03 0.00 -0.60 0.00 0.00 56.93 55.22 2oec s PHE 1089Cb -0.14 -1.65 0.07 0.00 0.51 0.00 0.00 43.02 41.80 2oec s PHE 1089CO -0.01 -0.46 -0.07 -0.51 0.70 0.00 0.00 175.22 174.87 2oec s LEU 1090N 0.54 3.57 0.07 -0.37 1.43 -0.09 -1.09 118.68 122.74 2oec s LEU 1090Ca -0.15 -1.51 -0.29 0.00 -1.03 0.00 0.00 54.13 51.15 2oec s LEU 1090Cb -0.17 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2oec s LEU 1090CO 0.05 -0.23 0.95 -0.60 0.23 0.00 0.00 176.35 176.74 2oec s ARG 1091N 1.10 4.63 -0.05 1.70 3.52 -0.36 -0.46 118.95 129.03 2oec s ARG 1091Ca -0.05 1.40 0.05 0.00 -0.13 0.00 0.00 55.73 57.00 2oec s ARG 1091Cb -0.20 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 2oec s ARG 1091CO -0.06 0.13 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.84 2oec s ILE 1092N 0.34 2.36 0.31 4.11 1.10 -1.22 -1.95 121.20 126.26 2oec s ILE 1092Ca 0.48 -0.96 -0.15 0.00 -0.51 0.00 0.00 60.65 59.50 2oec s ILE 1092Cb -0.22 -1.88 0.02 0.00 0.15 0.00 0.00 42.46 40.53 2oec s ILE 1092CO 0.28 0.57 0.65 -0.83 -2.11 0.00 0.00 174.94 173.51 2oec s GLY 1093N -0.33 0.40 0.18 1.50 0.00 -0.90 -4.35 107.32 103.81 2oec s GLY 1093Ca 0.02 -0.73 0.06 0.00 0.00 0.00 0.00 44.72 44.06 2oec s GLY 1093CO 0.02 -0.40 0.14 -0.51 0.00 0.00 0.00 173.10 172.35 2oec s THR 1094N -3.37 4.42 0.17 0.90 -4.23 -1.26 -0.99 115.64 111.28 2oec s THR 1094Ca 0.18 -1.16 -0.22 0.00 -1.18 0.00 0.00 61.69 59.30 2oec s THR 1094Cb -0.04 -3.28 0.06 0.00 1.34 0.00 0.00 72.50 70.59 2oec s THR 1094CO 0.10 -0.15 0.61 0.28 -0.54 0.00 0.00 174.62 174.92 2oec s THR 1095N -1.82 0.00 -0.20 3.99 -1.32 -0.95 -4.86 115.64 110.48 2oec s THR 1095Ca 0.31 -0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 60.61 2oec s THR 1095Cb -0.10 -1.13 -0.02 0.00 -1.51 0.00 0.00 72.50 69.75 2oec s THR 1095CO 0.23 -0.01 -0.03 -0.83 -2.21 0.00 0.00 174.62 171.77 2oec s GLY 1096N -2.77 1.65 0.43 6.08 0.00 -1.26 -2.91 107.32 108.54 2oec s GLY 1096Ca 0.02 -1.06 -0.23 0.00 0.00 0.00 0.00 44.72 43.46 2oec s GLY 1096CO -0.11 0.27 1.08 0.00 0.00 0.00 0.00 173.10 174.35 2oec s ALA 1097N 1.14 3.03 0.00 3.20 0.00 -0.27 -3.02 121.76 125.83 2oec s ALA 1097Ca 0.02 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2oec s ALA 1097Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2oec s ALA 1097CO 0.00 -0.34 0.56 0.44 0.00 0.00 0.00 175.76 176.42 2oec n ILE 1098N -0.30 0.21 -3.81 0.00 -5.35 -0.44 -0.53 119.36 109.14 2oec n ILE 1098Ca 0.06 -0.55 -0.35 0.00 -0.27 0.00 0.00 62.75 61.65 2oec n ILE 1098Cb 0.50 0.98 -0.05 0.00 -1.74 0.00 0.00 39.64 39.33 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 -0.21 3.53 0.39 6.28 -1.52 -1.23 -4.81 119.66 122.09 2oec s GLN 1099Ca 0.00 -0.14 0.18 0.00 -1.95 0.00 0.00 55.36 53.45 2oec s GLN 1099Cb 0.00 -3.10 0.77 0.00 -0.22 0.00 0.00 33.01 30.45 2oec s GLN 1099CO 0.00 0.68 1.79 -1.35 -0.25 0.00 0.00 175.29 176.15 2oec h PRO 1100N 4.11 0.00 -0.24 2.91 0.11 -1.96 -2.95 132.00 133.99 2oec h PRO 1100Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2oec h PRO 1100Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2oec h PRO 1100CO 0.65 0.36 0.00 -2.39 -0.21 0.00 0.00 178.00 176.41 2oec n HIS 1101N -3.65 0.31 -3.82 0.65 1.44 -1.26 -4.75 115.22 104.13 2oec n HIS 1101Ca -0.01 -0.15 -0.37 0.00 -2.01 0.00 0.00 57.72 55.18 2oec n HIS 1101Cb 0.46 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.44 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 -1.69 3.58 0.27 0.61 1.01 -1.11 -5.10 121.20 118.76 2oec s ILE 1102Ca 0.33 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 60.10 2oec s ILE 1102Cb 0.18 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2oec s ILE 1102CO 0.26 0.02 0.16 0.20 0.00 0.00 0.00 174.94 175.57 2oec s ASN 1103N 1.41 5.20 0.36 3.58 0.01 -1.26 -4.80 114.94 119.43 2oec s ASN 1103Ca 0.00 -0.41 -0.28 0.00 -0.71 0.00 0.00 52.86 51.45 2oec s ASN 1103Cb -0.18 -1.17 -0.11 0.00 0.41 0.00 0.00 41.25 40.20 2oec s ASN 1103CO 0.01 -0.09 1.49 1.33 -1.51 0.00 0.00 177.10 178.33 2oec n VAL 1104N -1.13 1.79 0.00 1.60 0.24 -1.26 -1.57 118.33 118.00 2oec n VAL 1104Ca -0.06 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2oec n VAL 1104Cb 0.59 -1.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 2oec n VAL 1104CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2oec n GLY 1105N 0.85 3.41 3.77 7.63 0.00 0.29 -4.97 105.19 116.17 2oec n GLY 1105Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.71 4.78 -0.10 1.61 1.01 -0.61 -4.70 116.67 117.96 2oec s ASP 1106Ca 0.00 1.92 0.03 0.00 0.71 0.00 0.00 52.55 55.20 2oec s ASP 1106Cb 0.00 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2oec s ASP 1106CO 0.00 -1.85 -0.20 -0.69 0.21 0.00 0.00 175.17 172.64 2oec s VAL 1107N -2.62 2.44 -0.16 -1.27 1.01 0.19 -0.72 120.40 119.27 2oec s VAL 1107Ca 0.64 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2oec s VAL 1107Cb -0.19 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2oec s VAL 1107CO 0.49 0.55 -0.00 -0.76 0.00 0.00 0.00 175.10 175.38 2oec s LEU 1108N 0.23 3.46 -0.18 3.92 1.43 0.21 -0.69 118.68 127.06 2oec s LEU 1108Ca -0.13 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2oec s LEU 1108Cb -0.16 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2oec s LEU 1108CO 0.07 0.17 -0.06 -0.69 0.23 0.00 0.00 176.35 176.08 2oec s VAL 1109N 0.35 3.53 -0.37 -1.59 1.01 0.12 -1.10 120.40 122.35 2oec s VAL 1109Ca -0.01 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2oec s VAL 1109Cb -0.13 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2oec s VAL 1109CO 0.02 0.47 0.49 -0.89 0.00 0.00 0.00 175.10 175.19 2oec s THR 1110N 0.82 5.03 0.16 3.92 2.01 -0.66 -1.67 115.64 125.25 2oec s THR 1110Ca -0.02 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2oec s THR 1110Cb -0.15 -3.99 -0.16 0.00 0.01 0.00 0.00 72.50 68.22 2oec s THR 1110CO 0.01 -0.29 1.36 0.71 -0.69 0.00 0.00 174.62 175.73 2oec h THR 1111N 5.66 1.47 -2.03 -0.82 1.35 -1.44 -3.40 112.91 113.69 2oec h THR 1111Ca -0.28 -2.56 0.16 0.00 -0.55 0.00 0.00 66.41 63.18 2oec h THR 1111Cb 1.12 2.44 -0.16 0.00 -1.73 0.00 0.00 68.15 69.82 2oec h THR 1111CO 0.78 0.75 0.59 0.00 -0.25 0.00 0.00 175.52 177.39 2oec s ALA 1112N -3.23 -1.90 0.05 6.62 0.00 -1.25 -0.74 121.76 121.31 2oec s ALA 1112Ca -0.04 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.16 2oec s ALA 1112Cb 0.10 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2oec s ALA 1112CO 0.84 -0.67 -0.22 -1.12 0.00 0.00 0.00 175.76 174.59 2oec s SER 1113N -2.41 2.63 0.01 0.00 0.01 -0.47 -1.86 113.70 111.61 2oec s SER 1113Ca 0.07 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 2oec s SER 1113Cb -0.01 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 2oec s SER 1113CO -0.07 0.17 1.49 -0.69 0.41 0.00 0.00 173.24 174.55 2oec s VAL 1114N -0.83 3.52 -1.23 3.43 1.01 0.79 -4.40 120.40 122.68 2oec s VAL 1114Ca 0.08 0.90 -0.16 0.00 0.00 0.00 0.00 61.98 62.81 2oec s VAL 1114Cb -0.09 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.83 2oec s VAL 1114CO 0.02 -0.01 1.56 -0.13 0.00 0.00 0.00 175.10 176.54 2oec s ARG 1115N 2.59 4.02 -0.68 2.72 0.52 -1.26 -1.89 118.95 124.97 2oec s ARG 1115Ca 0.67 -2.28 -0.02 0.00 -0.52 0.00 0.00 55.73 53.58 2oec s ARG 1115Cb -0.34 -5.27 0.43 0.00 0.52 0.00 0.00 34.95 30.29 2oec s ARG 1115CO 0.28 -1.99 2.04 1.28 0.02 0.00 0.00 175.30 176.93 2oec n LEU 1116N 6.92 7.65 -4.38 2.53 4.77 -0.56 -4.94 117.00 128.99 2oec n LEU 1116Ca 0.41 -4.32 -0.20 0.00 -0.03 0.00 0.00 56.01 51.88 2oec n LEU 1116Cb 0.44 -0.99 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 2oec n LEU 1116CO 0.68 1.50 -0.24 1.51 -1.33 0.00 0.00 177.39 179.52 2oec s ASP 1117N -1.66 1.81 -0.12 -1.43 -4.77 -1.24 -1.47 116.67 107.79 2oec s ASP 1117Ca 0.62 -1.47 0.16 0.00 -3.30 0.00 0.00 52.55 48.57 2oec s ASP 1117Cb 0.49 0.20 -0.23 0.00 -1.09 0.00 0.00 42.92 42.30 2oec s ASP 1117CO -0.06 -0.77 0.17 0.61 0.70 0.00 0.00 175.17 175.82 2oec n GLY 1118N -0.61 -0.82 0.19 2.12 0.00 -1.26 -4.61 105.19 100.20 2oec n GLY 1118Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 1.09 1.06 -0.37 4.61 0.00 -1.98 -2.71 119.26 120.96 2oec h ALA 1119Ca -0.30 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.20 2oec h ALA 1119Cb 1.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2oec h ALA 1119CO 0.02 0.62 0.25 0.66 0.00 0.00 0.00 179.25 180.80 2oec h SER 1120N 0.18 0.33 1.01 0.00 4.64 -1.85 -1.24 113.55 116.63 2oec h SER 1120Ca 0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2oec h SER 1120Cb 0.88 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2oec h SER 1120CO 0.07 0.23 0.00 -0.07 -0.87 0.00 0.00 176.83 176.19 2oec h LEU 1121N 0.39 0.00 0.00 5.97 3.38 -1.59 -1.29 115.31 122.17 2oec h LEU 1121Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2oec h LEU 1121Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2oec h LEU 1121CO -0.04 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.90 2oec n HIS 1122N -2.93 0.00 0.00 1.13 8.25 -0.47 -3.73 115.22 117.47 2oec n HIS 1122Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2oec n HIS 1122Cb 0.30 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.02 0.00 -3.55 4.41 3.72 -0.57 -5.09 117.46 115.36 2oec n PHE 1123Ca 0.22 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.46 2oec n PHE 1123Cb 0.11 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.84 -1.81 0.96 4.37 0.00 -0.71 -4.98 121.76 117.74 2oec s ALA 1124Ca 0.00 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 2oec s ALA 1124Cb 0.00 -0.32 0.17 0.00 0.00 0.00 0.00 23.12 22.97 2oec s ALA 1124CO 0.00 -0.35 1.11 -1.25 0.00 0.00 0.00 175.76 175.27 2oec s PRO 1125N -0.94 0.72 0.59 0.00 0.04 -1.26 -3.90 135.00 130.25 2oec s PRO 1125Ca -0.08 1.27 0.30 0.00 0.04 0.00 0.00 61.00 62.53 2oec s PRO 1125Cb -0.01 -1.71 1.80 0.00 0.04 0.00 0.00 34.50 34.62 2oec s PRO 1125CO 0.07 -2.74 2.23 1.98 0.04 0.00 0.00 177.00 178.58 2oec h MET 1126N -1.94 0.00 0.00 4.56 4.05 -1.94 -1.39 114.93 118.27 2oec h MET 1126Ca -0.48 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.94 2oec h MET 1126Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2oec h MET 1126CO 0.46 0.00 -0.02 1.05 0.23 0.00 0.00 176.91 178.63 2oec h GLU 1127N 0.00 0.00 -6.57 0.39 9.09 -2.03 -3.43 114.58 112.03 2oec h GLU 1127Ca 0.01 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.90 2oec h GLU 1127Cb 0.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 2oec h GLU 1127CO -0.00 0.02 0.55 0.12 0.05 0.00 0.00 179.01 179.75 2oec s PHE 1128N -3.72 3.46 0.10 2.06 2.19 -0.53 -4.98 117.98 116.55 2oec s PHE 1128Ca 0.01 1.38 -0.31 0.00 0.33 0.00 0.00 56.93 58.34 2oec s PHE 1128Cb 0.09 -3.41 -0.07 0.00 -1.31 0.00 0.00 43.02 38.33 2oec s PHE 1128CO 0.54 -1.17 1.30 -1.25 1.83 0.00 0.00 175.22 176.47 2oec s PRO 1129N 0.43 4.38 -1.40 10.12 0.04 -1.26 -4.94 135.00 142.36 2oec s PRO 1129Ca 0.55 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 63.38 2oec s PRO 1129Cb -0.31 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.00 2oec s PRO 1129CO 0.32 -0.34 2.07 0.00 0.04 0.00 0.00 177.00 179.09 2oec n ALA 1130N 3.86 5.02 -2.76 8.56 0.00 -1.26 -4.73 120.51 129.19 2oec n ALA 1130Ca 0.10 -3.91 -0.34 0.00 0.00 0.00 0.00 53.44 49.29 2oec n ALA 1130Cb 0.44 -3.51 -0.08 0.00 0.00 0.00 0.00 19.45 16.31 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 3.21 4.70 0.55 0.00 0.11 -1.26 -1.37 120.40 126.34 2oec s VAL 1131Ca 0.48 -0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 59.08 2oec s VAL 1131Cb 0.11 -3.08 -0.06 0.00 -1.53 0.00 0.00 36.38 31.82 2oec s VAL 1131CO -0.04 0.47 1.03 0.00 -3.33 0.00 0.00 175.10 173.23 2oec s ALA 1132N -1.08 2.86 0.33 1.54 0.00 0.09 -4.65 121.76 120.85 2oec s ALA 1132Ca 0.19 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.24 2oec s ALA 1132Cb -0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 2oec s ALA 1132CO 0.09 -0.53 1.21 0.34 0.00 0.00 0.00 175.76 176.88 2oec s ASP 1133N -2.69 6.89 0.18 0.00 -1.08 0.45 -4.95 116.67 115.47 2oec s ASP 1133Ca 0.63 2.49 -0.09 0.00 -0.52 0.00 0.00 52.55 55.06 2oec s ASP 1133Cb -0.14 -2.64 0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2oec s ASP 1133CO 0.31 -0.43 1.61 0.15 0.52 0.00 0.00 175.17 177.33 2oec h PHE 1134N 3.40 1.16 -0.30 -5.34 3.57 -1.96 -1.60 116.94 115.87 2oec h PHE 1134Ca -0.48 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 60.78 2oec h PHE 1134Cb 1.22 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2oec h PHE 1134CO 0.57 1.06 0.16 0.00 -2.23 0.00 0.00 178.31 177.87 2oec h ALA 1135N 0.95 0.38 -0.38 2.41 0.00 -1.96 -0.48 119.26 120.19 2oec h ALA 1135Ca 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2oec h ALA 1135Cb 0.66 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2oec h ALA 1135CO 0.05 -0.08 0.25 0.00 0.00 0.00 0.00 179.25 179.46 2oec h THR 1137N 0.51 1.12 -0.56 0.00 2.02 -1.11 -0.40 112.91 114.49 2oec h THR 1137Ca 0.14 -0.35 0.11 0.00 0.77 0.00 0.00 66.41 67.09 2oec h THR 1137Cb -0.05 0.98 -0.09 0.00 -1.74 0.00 0.00 68.15 67.25 2oec h THR 1137CO -0.04 0.12 0.04 0.74 0.37 0.00 0.00 175.52 176.75 2oec h THR 1138N 0.21 0.59 -0.71 3.16 2.02 -0.90 0.62 112.91 117.90 2oec h THR 1138Ca 0.07 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 2oec h THR 1138Cb 0.10 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2oec h THR 1138CO -0.01 0.03 0.25 0.00 0.37 0.00 0.00 175.52 176.15 2oec h ALA 1139N 1.48 0.93 -0.27 6.16 0.00 -0.49 0.22 119.26 127.29 2oec h ALA 1139Ca 0.29 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2oec h ALA 1139Cb 0.44 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2oec h ALA 1139CO -0.44 0.59 -0.28 -0.07 0.00 0.00 0.00 179.25 179.05 2oec h LEU 1140N 1.04 0.72 -0.17 0.00 3.38 -0.68 -1.50 115.31 118.09 2oec h LEU 1140Ca 0.23 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2oec h LEU 1140Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2oec h LEU 1140CO -0.01 1.05 0.07 0.58 0.09 0.00 0.00 178.44 180.21 2oec h VAL 1141N 0.40 1.16 -0.38 1.22 2.07 -0.74 -2.02 116.25 117.96 2oec h VAL 1141Ca 0.04 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 2oec h VAL 1141Cb 0.85 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2oec h VAL 1141CO 0.07 0.16 -0.15 -0.33 0.02 0.00 0.00 177.57 177.33 2oec h GLU 1142N 0.12 0.70 -0.38 1.57 5.08 -0.95 -1.38 114.58 119.34 2oec h GLU 1142Ca 0.06 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.05 2oec h GLU 1142Cb 0.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2oec h GLU 1142CO -0.00 0.82 -0.27 0.00 -1.00 0.00 0.00 179.01 178.55 2oec h ALA 1143N 1.20 0.81 -0.52 3.43 0.00 -1.24 0.11 119.26 123.05 2oec h ALA 1143Ca 0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2oec h ALA 1143Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2oec h ALA 1143CO 0.04 0.65 0.22 0.00 0.00 0.00 0.00 179.25 180.15 2oec h ALA 1144N 1.01 0.67 -0.60 0.00 0.00 -1.07 -1.35 119.26 117.93 2oec h ALA 1144Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2oec h ALA 1144Cb 0.80 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2oec h ALA 1144CO 0.07 0.27 0.10 0.87 0.00 0.00 0.00 179.25 180.56 2oec h LYS 1145N 0.69 0.96 -0.88 0.00 1.57 -1.05 -0.86 116.57 117.00 2oec h LYS 1145Ca 0.17 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2oec h LYS 1145Cb 0.18 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 2oec h LYS 1145CO -0.02 0.88 0.58 0.77 -0.57 0.00 0.00 179.45 181.09 2oec h SER 1146N 0.91 0.94 0.95 0.86 0.02 -0.62 -2.54 113.55 114.06 2oec h SER 1146Ca 0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2oec h SER 1146Cb 0.38 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2oec h SER 1146CO 0.01 0.64 -0.35 -0.38 -1.14 0.00 0.00 176.83 175.60 2oec n ILE 1147N -4.45 0.28 -0.62 3.27 2.08 -0.54 -4.93 119.36 114.45 2oec n ILE 1147Ca 0.12 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.26 2oec n ILE 1147Cb 0.12 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.79 2oec n ILE 1147CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2oec n GLY 1148N 1.39 0.66 3.77 7.39 0.00 -0.42 -5.04 105.19 112.94 2oec n GLY 1148Ca 0.05 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 3.08 -0.41 4.61 0.00 -0.65 -4.97 121.76 121.42 2oec s ALA 1149Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 2oec s ALA 1149Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2oec s ALA 1149CO 0.00 -0.58 1.31 0.99 0.00 0.00 0.00 175.76 177.48 2oec s THR 1150N -1.47 4.04 -0.04 0.00 2.01 -1.26 -4.69 115.64 114.22 2oec s THR 1150Ca 0.60 1.08 0.05 0.00 0.31 0.00 0.00 61.69 63.73 2oec s THR 1150Cb -0.30 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 2oec s THR 1150CO 0.37 -0.79 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.42 2oec s THR 1151N 4.96 2.57 -0.11 -0.82 2.01 -1.26 -0.64 115.64 122.35 2oec s THR 1151Ca 0.56 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2oec s THR 1151Cb -0.12 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.44 2oec s THR 1151CO 0.31 0.58 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.64 2oec s HIS 1152N -0.60 2.16 -0.19 4.92 3.76 0.13 -4.96 115.29 120.52 2oec s HIS 1152Ca 0.09 -0.99 -0.02 0.00 -0.15 0.00 0.00 55.06 53.98 2oec s HIS 1152Cb -0.11 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 2oec s HIS 1152CO 0.00 -0.48 -0.09 0.08 -0.85 0.00 0.00 174.74 173.40 2oec s VAL 1153N 0.81 3.07 -2.40 -0.90 1.01 -1.26 -0.70 120.40 120.03 2oec s VAL 1153Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2oec s VAL 1153Cb -0.16 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2oec s VAL 1153CO 0.01 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2oec n GLY 1154N 4.37 -0.58 3.83 4.51 0.00 -0.67 -4.94 105.19 111.71 2oec n GLY 1154Ca -0.19 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.37 4.63 -0.01 1.61 1.01 -1.26 -1.06 120.40 121.95 2oec s VAL 1155Ca 0.00 1.13 0.04 0.00 0.00 0.00 0.00 61.98 63.15 2oec s VAL 1155Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2oec s VAL 1155CO 0.00 0.08 -0.14 -0.89 0.00 0.00 0.00 175.10 174.16 2oec s THR 1156N -1.67 1.10 -0.20 3.92 2.01 -0.78 -1.26 115.64 118.77 2oec s THR 1156Ca 0.46 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 2oec s THR 1156Cb -0.14 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2oec s THR 1156CO 0.20 0.28 0.66 0.00 -0.69 0.00 0.00 174.62 175.07 2oec s ALA 1157N -0.37 3.55 -0.31 7.40 0.00 0.11 -0.15 121.76 131.99 2oec s ALA 1157Ca 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 2oec s ALA 1157Cb -0.06 -3.02 0.05 0.00 0.00 0.00 0.00 23.12 20.09 2oec s ALA 1157CO -0.00 -0.59 0.02 0.45 0.00 0.00 0.00 175.76 175.64 2oec s SER 1158N 1.22 4.98 -0.07 0.00 0.15 -0.79 -1.06 113.70 118.13 2oec s SER 1158Ca 0.30 -1.22 0.01 0.00 0.70 0.00 0.00 55.95 55.74 2oec s SER 1158Cb -0.16 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.37 2oec s SER 1158CO 0.10 -0.27 -0.08 -0.55 1.20 0.00 0.00 173.24 173.64 2oec s SER 1159N 1.30 4.53 0.03 5.45 0.15 0.22 -1.50 113.70 123.89 2oec s SER 1159Ca -0.04 -0.06 0.17 0.00 0.70 0.00 0.00 55.95 56.72 2oec s SER 1159Cb -0.20 -1.15 0.74 0.00 -1.71 0.00 0.00 66.02 63.71 2oec s SER 1159CO -0.00 0.35 1.55 0.47 1.20 0.00 0.00 173.24 176.81 2oec n ASP 1160N 2.31 0.09 -4.29 5.45 8.00 -0.54 -4.38 116.55 123.18 2oec n ASP 1160Ca -0.18 0.52 -0.20 0.00 0.71 0.00 0.00 54.79 55.64 2oec n ASP 1160Cb 0.53 -0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 40.98 2oec n ASP 1160CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2oec s THR 1161N -3.04 1.60 -0.19 -3.53 -4.23 -1.26 -5.01 115.64 99.97 2oec s THR 1161Ca 0.08 -1.85 0.18 0.00 -1.18 0.00 0.00 61.69 58.92 2oec s THR 1161Cb 0.11 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.23 2oec s THR 1161CO 0.32 -0.38 1.12 0.15 -0.54 0.00 0.00 174.62 175.29 2oec h PHE 1162N 3.33 0.00 0.00 3.99 3.04 -1.97 -3.39 116.94 121.94 2oec h PHE 1162Ca -0.41 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.54 2oec h PHE 1162Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2oec h PHE 1162CO 0.67 0.36 0.00 0.66 -2.02 0.00 0.00 178.31 177.97 2oec n TYR 1163N -2.95 0.00 -0.25 0.41 4.02 -1.26 -4.46 117.16 112.67 2oec n TYR 1163Ca -0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.79 2oec n TYR 1163Cb 0.71 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.07 2oec n TYR 1163CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2oec h PRO 1164N 0.00 1.09 0.00 -0.72 0.11 -1.87 -0.39 132.00 130.22 2oec h PRO 1164Ca 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2oec h PRO 1164Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2oec h PRO 1164CO 0.00 0.94 0.00 0.78 -0.21 0.00 0.00 178.00 179.51 2oec h GLY 1165N 1.03 0.00 -2.09 -0.55 0.00 -1.88 0.26 103.07 99.84 2oec h GLY 1165Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2oec h GLY 1165CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 2oec n GLN 1166N -2.62 3.37 -3.91 4.80 6.02 -0.90 -4.93 117.38 119.20 2oec n GLN 1166Ca -0.00 -2.76 -0.26 0.00 -0.01 0.00 0.00 57.00 53.97 2oec n GLN 1166Cb 0.17 -1.82 -0.01 0.00 1.02 0.00 0.00 30.24 29.60 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 0.12 -3.22 -3.43 -1.09 2.13 0.93 -4.91 120.64 111.16 2oec n GLU 1167Ca 0.21 0.42 -0.38 0.00 0.66 0.00 0.00 57.16 58.07 2oec n GLU 1167Cb 0.86 -4.52 -0.06 0.00 0.27 0.00 0.00 31.44 27.98 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 -6.47 4.03 -0.00 5.31 0.52 -0.20 -4.99 118.95 117.15 2oec s ARG 1168Ca 0.04 0.48 0.08 0.00 -0.52 0.00 0.00 55.73 55.81 2oec s ARG 1168Cb -0.02 -3.25 -0.10 0.00 0.52 0.00 0.00 34.95 32.10 2oec s ARG 1168CO 0.88 0.61 0.27 0.66 0.02 0.00 0.00 175.30 177.74 2oec n TYR 1169N 2.06 0.00 -1.91 -0.53 4.02 -1.26 -4.45 117.16 115.09 2oec n TYR 1169Ca -0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.35 2oec n TYR 1169Cb 0.52 -0.06 -0.01 0.00 -0.02 0.00 0.00 39.34 39.77 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 -1.38 3.91 -4.11 7.72 2.03 -1.26 -4.11 116.55 119.35 2oec n ASP 1170Ca 0.00 -2.83 -0.11 0.00 0.52 0.00 0.00 54.79 52.38 2oec n ASP 1170Cb 0.15 -1.61 -0.08 0.00 -0.72 0.00 0.00 41.12 38.86 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 4.39 0.00 0.19 5.18 -4.23 -1.26 -5.02 115.64 114.89 2oec s THR 1171Ca 0.52 -1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 59.17 2oec s THR 1171Cb 0.10 -2.36 0.14 0.00 1.34 0.00 0.00 72.50 71.73 2oec s THR 1171CO 0.01 -0.01 1.68 0.22 -0.54 0.00 0.00 174.62 175.98 2oec h TYR 1172N 2.47 -0.01 0.02 3.99 3.20 -1.99 -2.60 116.97 122.05 2oec h TYR 1172Ca -0.32 0.04 -0.25 0.00 3.14 0.00 0.00 58.73 61.35 2oec h TYR 1172Cb 1.25 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 2oec h TYR 1172CO 0.37 -0.11 -1.25 0.66 -1.64 0.00 0.00 178.16 176.19 2oec h SER 1173N 0.13 0.07 -0.18 -2.11 4.64 -1.97 -3.47 113.55 110.65 2oec h SER 1173Ca 0.27 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 2oec h SER 1173Cb 0.41 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2oec h SER 1173CO -0.43 1.07 -0.07 0.61 -0.87 0.00 0.00 176.83 177.14 2oec n GLY 1174N 1.45 0.60 3.29 -0.77 0.00 -0.98 -5.01 105.19 103.76 2oec n GLY 1174Ca -0.07 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 2oec n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2oec s ARG 1175N -1.70 1.14 -0.05 1.61 1.70 -1.26 -4.92 118.95 115.46 2oec s ARG 1175Ca 0.00 -1.19 0.05 0.00 -0.47 0.00 0.00 55.73 54.12 2oec s ARG 1175Cb 0.00 -1.36 -0.01 0.00 -0.57 0.00 0.00 34.95 33.02 2oec s ARG 1175CO 0.00 0.31 -0.20 0.14 -1.08 0.00 0.00 175.30 174.46 2oec s VAL 1176N -1.32 1.69 0.51 4.99 -7.23 -1.26 -4.93 120.40 112.85 2oec s VAL 1176Ca 0.08 -0.86 -0.22 0.00 -1.81 0.00 0.00 61.98 59.17 2oec s VAL 1176Cb -0.09 -1.44 -0.07 0.00 0.56 0.00 0.00 36.38 35.34 2oec s VAL 1176CO 0.05 0.48 1.12 0.55 -0.31 0.00 0.00 175.10 176.98 2oec n VAL 1177N 3.07 3.18 -0.26 1.32 3.14 -1.26 -4.56 118.33 122.95 2oec n VAL 1177Ca -0.18 -0.50 -0.02 0.00 -2.96 0.00 0.00 64.34 60.69 2oec n VAL 1177Cb 0.53 -1.34 0.01 0.00 -1.06 0.00 0.00 33.84 31.98 2oec n VAL 1177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2oec n ARG 1178N -0.51 -0.18 0.04 1.45 0.63 -1.26 -0.47 116.66 116.37 2oec n ARG 1178Ca 0.10 1.04 0.17 0.00 -0.92 0.00 0.00 57.85 58.24 2oec n ARG 1178Cb 0.43 -1.54 0.67 0.00 0.45 0.00 0.00 32.46 32.47 2oec n ARG 1178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2oec h ARG 1179N 0.00 0.03 -0.02 -0.14 2.43 -2.02 -1.89 114.38 112.77 2oec h ARG 1179Ca 0.22 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2oec h ARG 1179Cb 0.39 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2oec h ARG 1179CO -0.66 0.02 -0.33 1.19 -1.51 0.00 0.00 179.97 178.67 2oec n PHE 1180N -4.42 0.00 -1.77 2.20 3.72 0.38 -4.75 117.46 112.81 2oec n PHE 1180Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 2oec n PHE 1180Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 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 4.15 -1.75 -1.08 1.02 -0.71 -2.28 119.74 116.83 2oec s LYS 1181Ca 0.20 2.52 0.00 0.00 0.02 0.00 0.00 55.97 58.71 2oec s LYS 1181Cb 0.18 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2oec s LYS 1181CO 0.48 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 2oec n GLY 1182N 4.18 0.73 0.11 -3.33 0.00 -1.26 -4.89 105.19 100.73 2oec n GLY 1182Ca 0.17 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 0.38 -0.13 1.61 4.64 -1.75 -3.26 113.55 115.04 2oec h SER 1183Ca -0.40 -0.49 0.02 0.00 -0.47 0.00 0.00 61.79 60.45 2oec h SER 1183Cb 1.25 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2oec h SER 1183CO 0.53 1.40 -0.02 -0.03 -0.87 0.00 0.00 176.83 177.84 2oec h MET 1184N 0.07 0.01 -0.10 4.77 -1.53 -1.90 -0.26 114.93 115.98 2oec h MET 1184Ca -0.21 -0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.06 2oec h MET 1184Cb 2.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 33.04 2oec h MET 1184CO 0.17 0.01 0.07 1.49 0.14 0.00 0.00 176.91 178.79 2oec h GLU 1185N 0.01 0.10 -0.05 0.39 4.81 -1.98 -0.13 114.58 117.75 2oec h GLU 1185Ca 0.06 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2oec h GLU 1185Cb 0.09 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2oec h GLU 1185CO -0.12 0.07 -0.08 1.49 -0.73 0.00 0.00 179.01 179.64 2oec h GLU 1186N 0.11 0.13 -0.84 1.92 4.81 -1.39 -1.60 114.58 117.72 2oec h GLU 1186Ca 0.04 -0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2oec h GLU 1186Cb 0.04 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 2oec h GLU 1186CO -0.01 0.65 0.47 -1.49 -0.73 0.00 0.00 179.01 177.90 2oec h TRP 1187N -0.37 0.84 -0.30 0.92 -0.00 -0.51 -0.89 115.95 115.65 2oec h TRP 1187Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.92 2oec h TRP 1187Cb 0.64 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.54 2oec h TRP 1187CO 0.11 0.29 0.17 0.37 -0.00 0.00 0.00 178.44 179.38 2oec h GLN 1188N 0.73 0.41 0.00 0.49 4.15 -0.97 -1.08 115.11 118.84 2oec h GLN 1188Ca 0.43 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.81 2oec h GLN 1188Cb 0.49 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2oec h GLN 1188CO -0.29 0.34 0.00 0.00 -1.93 0.00 0.00 178.83 176.94 2oec h ALA 1189N 1.05 1.00 -0.01 3.38 0.00 -0.66 -1.83 119.26 122.19 2oec h ALA 1189Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2oec h ALA 1189Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2oec h ALA 1189CO -0.02 0.00 -0.36 -1.33 0.00 0.00 0.00 179.25 177.55 2oec n MET 1190N -2.39 0.60 -0.44 0.00 2.81 -0.40 -4.94 117.12 112.37 2oec n MET 1190Ca 0.02 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 2oec n MET 1190Cb 0.23 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 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 1.39 0.76 3.71 3.03 0.00 -0.69 -5.04 105.19 108.36 2oec n GLY 1191Ca 0.10 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 3.44 0.04 1.61 1.01 -0.48 -4.69 120.40 119.32 2oec s VAL 1192Ca 0.00 1.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.78 2oec s VAL 1192Cb 0.00 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 2oec s VAL 1192CO 0.00 0.06 1.33 0.24 0.00 0.00 0.00 175.10 176.73 2oec h MET 1193N 7.02 0.38 -2.96 2.72 0.00 -1.51 -3.40 114.93 117.18 2oec h MET 1193Ca -0.41 -0.21 0.07 0.00 0.00 0.00 0.00 59.70 59.14 2oec h MET 1193Cb 1.20 0.01 -0.05 0.00 0.00 0.00 0.00 31.60 32.77 2oec h MET 1193CO 0.87 0.78 0.25 0.54 0.00 0.00 0.00 176.91 179.35 2oec s ASN 1194N -6.19 -0.23 -0.11 1.22 4.22 -1.26 -1.32 114.94 111.26 2oec s ASN 1194Ca -0.14 -0.65 -0.02 0.00 -2.14 0.00 0.00 52.86 49.91 2oec s ASN 1194Cb 0.05 0.73 -0.03 0.00 1.28 0.00 0.00 41.25 43.28 2oec s ASN 1194CO 0.76 -1.36 -0.03 -0.31 -2.04 0.00 0.00 177.10 174.12 2oec s TYR 1195N -3.72 3.04 0.00 1.54 2.02 -1.17 0.04 117.35 119.11 2oec s TYR 1195Ca 0.12 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 2oec s TYR 1195Cb -0.06 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 2oec s TYR 1195CO 0.07 0.21 0.00 -0.85 -1.57 0.00 0.00 175.55 173.41 2oec n GLU 1196N 2.79 0.00 0.00 -0.62 -0.00 -0.22 -3.97 120.64 118.62 2oec n GLU 1196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2oec n GLU 1196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 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 0.00 1.01 0.00 3.44 2.81 -1.26 -0.61 117.12 122.51 2oec n MET 1197Ca 0.00 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.07 2oec n MET 1197Cb 0.00 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 -0.18 2.04 -0.11 0.03 4.71 -1.26 -3.41 120.64 122.46 2oec n GLU 1198Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 2oec n GLU 1198Cb 0.38 -0.71 0.23 0.00 -1.01 0.00 0.00 31.44 30.34 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 0.72 -0.38 1.62 4.64 -1.95 -0.79 113.55 117.42 2oec h SER 1199Ca 0.00 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2oec h SER 1199Cb 0.33 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 2oec h SER 1199CO 0.00 0.67 0.14 0.00 -0.87 0.00 0.00 176.83 176.77 2oec h ALA 1200N 1.43 0.44 0.11 5.18 0.00 -1.87 0.24 119.26 124.79 2oec h ALA 1200Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2oec h ALA 1200Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2oec h ALA 1200CO -0.01 -0.25 -0.05 1.15 0.00 0.00 0.00 179.25 180.09 2oec h THR 1201N 0.30 1.06 -0.33 0.00 2.02 -1.79 -2.17 112.91 112.00 2oec h THR 1201Ca 0.17 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.70 2oec h THR 1201Cb 0.14 1.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2oec h THR 1201CO -0.17 0.17 0.01 0.25 0.37 0.00 0.00 175.52 176.15 2oec h LEU 1202N -0.48 -0.11 -0.20 2.58 5.85 -0.96 -1.53 115.31 120.46 2oec h LEU 1202Ca -0.02 0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.56 2oec h LEU 1202Cb 0.39 0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.55 2oec h LEU 1202CO 0.02 -0.02 -0.77 -0.07 -0.34 0.00 0.00 178.44 177.27 2oec h LEU 1203N 0.11 0.88 -0.10 2.25 3.38 -0.59 -2.61 115.31 118.63 2oec h LEU 1203Ca 0.16 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2oec h LEU 1203Cb 0.21 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2oec h LEU 1203CO -0.26 1.36 -0.02 0.74 0.09 0.00 0.00 178.44 180.36 2oec h THR 1204N 0.50 1.28 -0.06 0.22 2.02 -1.28 0.16 112.91 115.75 2oec h THR 1204Ca -0.05 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.17 2oec h THR 1204Cb 1.39 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 2oec h THR 1204CO 0.15 0.26 -0.21 0.00 0.37 0.00 0.00 175.52 176.09 2oec h MET 1205N -0.12 0.10 0.04 6.66 -0.00 -1.35 -1.73 114.93 118.54 2oec h MET 1205Ca 0.03 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.70 59.60 2oec h MET 1205Cb 0.41 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 32.01 2oec h MET 1205CO 0.01 0.31 -0.42 0.00 -0.00 0.00 0.00 176.91 176.81 2oec h ALA 1207N 0.16 1.25 -0.67 0.00 0.00 -0.83 -1.15 119.26 118.02 2oec h ALA 1207Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2oec h ALA 1207Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2oec h ALA 1207CO 0.08 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 2oec n SER 1208N -3.58 3.97 -0.93 0.00 3.41 -0.66 -4.42 113.62 111.40 2oec n SER 1208Ca -0.02 -2.08 0.02 0.00 -0.26 0.00 0.00 58.87 56.53 2oec n SER 1208Cb 0.23 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 63.72 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 1.40 0.03 -2.16 4.33 6.02 -0.81 -5.00 117.38 121.19 2oec n GLN 1209Ca 0.23 -1.47 -0.16 0.00 -0.01 0.00 0.00 57.00 55.59 2oec n GLN 1209Cb 0.65 -0.30 -0.02 0.00 1.02 0.00 0.00 30.24 31.58 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 0.19 0.05 3.57 1.08 0.00 -1.13 -5.00 105.19 103.94 2oec n GLY 1210Ca 0.03 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.47 3.04 -0.04 0.99 1.43 -0.50 -5.06 118.68 114.07 2oec s LEU 1211Ca 0.00 -0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2oec s LEU 1211Cb 0.00 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 2oec s LEU 1211CO 0.00 0.22 0.41 -0.13 0.23 0.00 0.00 176.35 177.08 2oec s ARG 1212N -1.88 4.02 -0.01 1.70 0.52 -0.03 -3.97 118.95 119.30 2oec s ARG 1212Ca 0.19 0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 55.72 2oec s ARG 1212Cb -0.11 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.09 2oec s ARG 1212CO 0.11 0.55 0.14 0.00 0.02 0.00 0.00 175.30 176.13 2oec s ALA 1213N -0.63 -0.34 0.17 2.13 0.00 -1.26 -0.33 121.76 121.50 2oec s ALA 1213Ca 0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 2oec s ALA 1213Cb -0.16 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2oec s ALA 1213CO 0.12 -0.18 0.22 0.20 0.00 0.00 0.00 175.76 176.11 2oec s GLY 1214N -1.09 0.81 -0.06 0.00 0.00 -0.25 -0.41 107.32 106.32 2oec s GLY 1214Ca -0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 2oec s GLY 1214CO 0.01 -1.06 0.15 -0.29 0.00 0.00 0.00 173.10 171.91 2oec s MET 1215N -4.03 0.14 0.07 2.90 1.75 -1.26 -1.23 119.30 117.64 2oec s MET 1215Ca 0.24 0.28 0.05 0.00 -1.25 0.00 0.00 55.69 55.01 2oec s MET 1215Cb 0.05 -0.02 -0.03 0.00 2.84 0.00 0.00 34.83 37.67 2oec s MET 1215CO 0.04 -0.08 -0.15 0.54 -0.65 0.00 0.00 175.02 174.72 2oec s VAL 1216N 0.53 1.18 0.08 10.11 0.11 -0.82 -1.65 120.40 129.93 2oec s VAL 1216Ca -0.04 -1.27 -0.16 0.00 -2.93 0.00 0.00 61.98 57.58 2oec s VAL 1216Cb -0.05 -1.11 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2oec s VAL 1216CO -0.02 -0.16 0.39 0.00 -3.33 0.00 0.00 175.10 171.97 2oec s ALA 1217N -1.18 -0.91 -0.15 1.54 0.00 -0.26 -2.12 121.76 118.69 2oec s ALA 1217Ca -0.00 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 2oec s ALA 1217Cb -0.10 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2oec s ALA 1217CO 0.02 -0.53 0.06 0.20 0.00 0.00 0.00 175.76 175.51 2oec s GLY 1218N -2.37 1.93 -0.35 0.00 0.00 -0.16 -0.62 107.32 105.74 2oec s GLY 1218Ca -0.01 -0.74 -0.27 0.00 0.00 0.00 0.00 44.72 43.69 2oec s GLY 1218CO -0.07 -0.18 1.01 0.14 0.00 0.00 0.00 173.10 174.00 2oec s VAL 1219N -0.18 4.52 -1.17 1.40 1.01 0.10 -2.24 120.40 123.85 2oec s VAL 1219Ca 0.07 1.44 0.11 0.00 0.00 0.00 0.00 61.98 63.60 2oec s VAL 1219Cb -0.12 -4.39 0.04 0.00 0.00 0.00 0.00 36.38 31.91 2oec s VAL 1219CO 0.01 -0.54 0.75 2.30 0.00 0.00 0.00 175.10 177.62 2oec n ILE 1220N 5.99 0.00 -3.61 2.22 -5.35 -1.15 0.10 119.36 117.57 2oec n ILE 1220Ca 0.10 -0.44 -0.15 0.00 -0.27 0.00 0.00 62.75 61.98 2oec n ILE 1220Cb 0.48 1.17 -0.07 0.00 -1.74 0.00 0.00 39.64 39.48 2oec n ILE 1220CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2oec s VAL 1221N -1.19 0.00 -0.20 7.28 1.01 -1.25 -4.88 120.40 121.17 2oec s VAL 1221Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2oec s VAL 1221Cb 0.09 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.54 2oec s VAL 1221CO 0.21 -0.01 -0.17 0.21 0.00 0.00 0.00 175.10 175.34 2oec s ASN 1222N -0.19 3.48 0.32 3.32 3.84 -1.26 -1.12 114.94 123.33 2oec s ASN 1222Ca -0.04 -0.74 0.02 0.00 0.21 0.00 0.00 52.86 52.31 2oec s ASN 1222Cb -0.03 -1.52 0.55 0.00 -0.55 0.00 0.00 41.25 39.69 2oec s ASN 1222CO 0.04 -0.03 1.91 0.03 -2.79 0.00 0.00 177.10 176.25 2oec h ARG 1223N 7.94 0.74 0.00 0.43 2.47 -1.12 -2.59 114.38 122.25 2oec h ARG 1223Ca -0.41 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.17 2oec h ARG 1223Cb 1.13 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2oec h ARG 1223CO 0.61 0.62 -0.14 1.79 0.56 0.00 0.00 179.97 183.41 2oec h THR 1224N 0.74 0.90 0.00 2.04 1.35 -1.87 -3.51 112.91 112.55 2oec h THR 1224Ca 0.18 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2oec h THR 1224Cb 0.16 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2oec h THR 1224CO -0.02 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.39 2oec n GLN 1225N -4.09 0.00 -4.51 4.72 10.64 -0.98 -5.16 117.38 118.01 2oec n GLN 1225Ca -0.02 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.84 2oec n GLN 1225Cb 0.22 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.54 2oec n GLN 1225CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2oec s ASN 1230N -0.01 4.26 0.15 2.61 4.22 -1.26 -5.03 114.94 119.88 2oec s ASN 1230Ca 0.00 -1.52 -0.17 0.00 -2.14 0.00 0.00 52.86 49.03 2oec s ASN 1230Cb 0.00 0.43 0.02 0.00 1.28 0.00 0.00 41.25 42.98 2oec s ASN 1230CO 0.00 -0.90 1.78 0.00 -2.04 0.00 0.00 177.10 175.95 2oec h ALA 1231N 1.21 0.42 -0.26 3.54 0.00 -1.98 -0.42 119.26 121.76 2oec h ALA 1231Ca -0.42 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2oec h ALA 1231Cb 1.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2oec h ALA 1231CO 0.70 -0.18 -0.18 1.49 0.00 0.00 0.00 179.25 181.08 2oec h GLU 1232N 0.37 0.46 0.00 0.00 4.57 -2.04 0.65 114.58 118.59 2oec h GLU 1232Ca 0.14 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2oec h GLU 1232Cb 0.03 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2oec h GLU 1232CO -0.08 0.63 -0.15 1.79 -1.18 0.00 0.00 179.01 180.02 2oec h THR 1233N 0.42 0.00 -0.20 0.32 1.35 -1.94 -2.06 112.91 110.81 2oec h THR 1233Ca 0.07 -0.97 -0.10 0.00 -0.55 0.00 0.00 66.41 64.86 2oec h THR 1233Cb 0.56 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2oec h THR 1233CO 0.04 0.00 -0.25 0.24 -0.25 0.00 0.00 175.52 175.30 2oec h MET 1234N 0.00 0.52 -0.45 4.72 2.86 -0.05 -2.64 114.93 119.89 2oec h MET 1234Ca 0.00 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2oec h MET 1234Cb 0.99 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 2oec h MET 1234CO 0.00 0.88 0.22 0.87 1.06 0.00 0.00 176.91 179.95 2oec h LYS 1235N 0.18 0.65 0.00 1.72 1.57 -0.87 -2.37 116.57 117.45 2oec h LYS 1235Ca 0.02 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2oec h LYS 1235Cb 0.82 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 2oec h LYS 1235CO 0.06 0.55 -0.16 0.37 -0.57 0.00 0.00 179.45 179.70 2oec h GLN 1236N 0.59 0.00 0.04 3.15 5.75 -1.40 -2.14 115.11 121.10 2oec h GLN 1236Ca 0.16 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2oec h GLN 1236Cb 0.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.66 2oec h GLN 1236CO -0.02 0.16 -0.02 1.15 -2.65 0.00 0.00 178.83 177.45 2oec h THR 1237N 0.00 1.37 -0.77 2.39 2.02 -1.22 -3.18 112.91 113.51 2oec h THR 1237Ca -0.00 -1.64 0.10 0.00 0.77 0.00 0.00 66.41 65.64 2oec h THR 1237Cb 0.52 2.41 -0.08 0.00 -1.74 0.00 0.00 68.15 69.27 2oec h THR 1237CO 0.02 0.40 0.40 -0.08 0.37 0.00 0.00 175.52 176.63 2oec h GLU 1238N -0.82 0.64 -0.03 6.66 4.81 -1.22 0.11 114.58 124.74 2oec h GLU 1238Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2oec h GLU 1238Cb 0.69 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2oec h GLU 1238CO 0.01 0.42 0.01 0.66 -0.73 0.00 0.00 179.01 179.38 2oec h SER 1239N 0.66 0.03 0.12 1.04 4.64 -1.49 0.19 113.55 118.74 2oec h SER 1239Ca 0.39 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.47 2oec h SER 1239Cb 0.42 -0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 2oec h SER 1239CO -0.28 0.03 -0.98 0.45 -0.87 0.00 0.00 176.83 175.18 2oec h HIS 1240N 0.04 0.75 -0.08 4.77 3.86 -0.82 -1.22 115.15 122.45 2oec h HIS 1240Ca 0.01 -0.50 -0.06 0.00 -1.16 0.00 0.00 60.37 58.67 2oec h HIS 1240Cb 0.01 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2oec h HIS 1240CO 0.00 1.36 -0.20 0.00 0.86 0.00 0.00 177.93 179.94 2oec h ALA 1241N 0.20 1.51 -0.31 2.45 0.00 -0.85 0.04 119.26 122.29 2oec h ALA 1241Ca -0.16 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2oec h ALA 1241Cb 1.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2oec h ALA 1241CO 0.19 0.36 -0.19 0.28 0.00 0.00 0.00 179.25 179.88 2oec h VAL 1242N 0.13 1.29 -0.89 0.00 2.07 -0.63 -1.83 116.25 116.40 2oec h VAL 1242Ca 0.02 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.24 2oec h VAL 1242Cb 0.44 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2oec h VAL 1242CO 0.03 0.42 0.59 0.11 0.02 0.00 0.00 177.57 178.74 2oec h LYS 1243N 0.44 1.16 -0.24 1.57 1.57 -0.79 -2.36 116.57 117.93 2oec h LYS 1243Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2oec h LYS 1243Cb 0.73 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2oec h LYS 1243CO 0.05 0.77 0.12 0.82 -0.57 0.00 0.00 179.45 180.64 2oec h ILE 1244N 1.19 1.13 -0.44 1.86 2.04 -0.72 -1.18 117.51 121.39 2oec h ILE 1244Ca 0.33 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 2oec h ILE 1244Cb -0.12 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2oec h ILE 1244CO -0.08 0.13 -0.13 1.62 0.00 0.00 0.00 178.15 179.70 2oec h VAL 1245N 0.26 1.26 -0.45 1.67 3.04 -1.13 -0.21 116.25 120.69 2oec h VAL 1245Ca 0.08 -1.21 -0.06 0.00 -1.01 0.00 0.00 66.70 64.51 2oec h VAL 1245Cb 0.10 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.42 2oec h VAL 1245CO -0.01 0.41 0.04 0.58 -1.01 0.00 0.00 177.57 177.58 2oec h VAL 1246N 0.72 1.25 -0.35 1.51 2.07 -1.30 -0.04 116.25 120.12 2oec h VAL 1246Ca 0.12 -0.97 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 2oec h VAL 1246Cb 0.62 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2oec h VAL 1246CO 0.04 0.34 -0.25 -0.33 0.02 0.00 0.00 177.57 177.39 2oec h GLU 1247N 0.62 0.69 -0.66 1.57 4.39 -0.95 -2.67 114.58 117.57 2oec h GLU 1247Ca 0.13 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 2oec h GLU 1247Cb 0.44 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 2oec h GLU 1247CO 0.02 0.87 0.08 0.00 -1.16 0.00 0.00 179.01 178.82 2oec h ALA 1248N 1.12 0.88 -0.94 3.43 0.00 -0.88 -2.69 119.26 120.19 2oec h ALA 1248Ca 0.08 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.83 2oec h ALA 1248Cb 0.74 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 2oec h ALA 1248CO 0.06 0.67 0.57 0.00 0.00 0.00 0.00 179.25 180.54 2oec h ALA 1249N 1.03 1.40 -0.96 0.00 0.00 -0.74 -1.63 119.26 118.38 2oec h ALA 1249Ca 0.20 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2oec h ALA 1249Cb 0.48 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2oec h ALA 1249CO 0.02 0.14 0.62 0.00 0.00 0.00 0.00 179.25 180.03 2oec h ARG 1250N 0.89 1.04 -0.00 0.00 3.08 -1.15 -1.53 114.38 116.71 2oec h ARG 1250Ca 0.47 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2oec h ARG 1250Cb 0.50 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2oec h ARG 1250CO -0.28 0.69 -0.01 0.54 -1.07 0.00 0.00 179.97 179.84 2oec n ARG 1251N -4.51 0.54 -0.00 0.04 1.74 -0.62 -3.32 116.66 110.52 2oec n ARG 1251Ca 0.15 -0.02 0.06 0.00 -0.77 0.00 0.00 57.85 57.27 2oec n ARG 1251Cb 0.23 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.21 0.55 0.00 0.55 4.77 -0.60 -5.04 117.00 116.01 2oec n LEU 1252Ca 0.16 -0.48 0.07 0.00 -0.03 0.00 0.00 56.01 55.73 2oec n LEU 1252Cb 0.22 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.72 2oec n LEU 1252CO 0.22 0.14 0.62 0.18 -1.33 0.00 0.00 177.39 177.22