#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 -0.68 0.00 3.14 0.15 -1.26 -4.63 113.70 110.41 2oec s SER 1004Ca 0.00 1.32 0.25 0.00 0.70 0.00 0.00 55.95 58.22 2oec s SER 1004Cb 0.00 1.34 0.43 0.00 -1.71 0.00 0.00 66.02 66.07 2oec s SER 1004CO 0.00 -0.23 1.36 0.47 1.20 0.00 0.00 173.24 176.04 2oec n ASP 1005N 2.72 1.17 -4.19 5.45 8.00 0.19 -4.93 116.55 124.97 2oec n ASP 1005Ca -0.14 -0.94 -0.18 0.00 0.71 0.00 0.00 54.79 54.24 2oec n ASP 1005Cb 0.55 0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 41.87 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 -2.63 1.15 0.23 2.53 -7.23 -1.22 -5.05 120.40 108.18 2oec s VAL 1006Ca 0.19 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2oec s VAL 1006Cb 0.18 -1.25 0.07 0.00 0.56 0.00 0.00 36.38 35.94 2oec s VAL 1006CO 0.60 -0.33 1.69 0.15 -0.31 0.00 0.00 175.10 176.90 2oec h PHE 1007N 3.95 0.86 0.00 2.82 3.57 -1.95 -3.34 116.94 122.85 2oec h PHE 1007Ca -0.40 -0.16 -0.28 0.00 3.53 0.00 0.00 57.97 60.65 2oec h PHE 1007Cb 1.19 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 2oec h PHE 1007CO 0.64 0.86 -2.03 0.72 -2.23 0.00 0.00 178.31 176.27 2oec n HIS 1008N -4.16 0.00 0.25 0.41 8.25 -1.26 -4.68 115.22 114.04 2oec n HIS 1008Ca 0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.62 2oec n HIS 1008Cb 0.37 -0.68 0.48 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.22 0.00 -0.98 2.41 4.07 -1.93 -3.45 115.31 115.22 2oec h LEU 1009Ca -0.43 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.21 2oec h LEU 1009Cb 1.55 0.00 0.12 0.00 1.08 0.00 0.00 40.66 43.42 2oec h LEU 1009CO -0.14 0.02 -0.58 0.61 -1.08 0.00 0.00 178.44 177.28 2oec n GLY 1010N 0.44 -0.29 3.43 0.83 0.00 -1.25 -4.65 105.19 103.69 2oec n GLY 1010Ca 0.02 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -6.21 2.56 0.34 0.99 1.43 -1.26 -4.82 118.68 111.71 2oec s LEU 1011Ca 0.43 -1.00 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2oec s LEU 1011Cb -0.19 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.99 2oec s LEU 1011CO 0.61 -0.01 -0.01 0.42 0.23 0.00 0.00 176.35 177.59 2oec s THR 1012N -2.52 2.58 0.26 5.49 -4.23 -1.26 0.56 115.64 116.51 2oec s THR 1012Ca 0.26 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2oec s THR 1012Cb -0.04 -2.76 0.13 0.00 1.34 0.00 0.00 72.50 71.17 2oec s THR 1012CO 0.12 -0.21 1.77 0.50 -0.54 0.00 0.00 174.62 176.26 2oec h LYS 1013N 1.86 0.86 -0.73 3.99 3.64 -1.96 -2.48 116.57 121.75 2oec h LYS 1013Ca -0.43 -0.21 0.09 0.00 -1.27 0.00 0.00 60.65 58.83 2oec h LYS 1013Cb 1.25 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 2oec h LYS 1013CO 0.67 0.82 0.38 -0.97 -2.27 0.00 0.00 179.45 178.07 2oec h ASN 1014N 0.81 0.51 -0.87 4.20 -1.24 -1.95 -2.04 115.58 115.01 2oec h ASN 1014Ca 0.17 0.05 0.23 0.00 0.71 0.00 0.00 56.30 57.46 2oec h ASN 1014Cb 0.39 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.36 2oec h ASN 1014CO 0.01 0.30 0.60 0.44 -1.29 0.00 0.00 177.43 177.49 2oec h ASP 1015N 0.65 0.15 1.31 1.15 3.32 -1.84 -2.18 116.42 118.99 2oec h ASP 1015Ca 0.35 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 2oec h ASP 1015Cb 0.34 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2oec h ASP 1015CO -0.25 0.06 -0.44 -0.07 -1.72 0.00 0.00 179.24 176.81 2oec h LEU 1016N 0.15 0.00 -1.06 1.55 4.07 -1.41 -3.48 115.31 115.13 2oec h LEU 1016Ca 0.43 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.99 2oec h LEU 1016Cb 1.45 0.00 0.11 0.00 1.08 0.00 0.00 40.66 43.30 2oec h LEU 1016CO -0.07 0.44 -0.72 0.00 -1.08 0.00 0.00 178.44 177.01 2oec n GLN 1017N -3.30 -7.17 -1.02 1.13 1.13 -0.82 -2.51 117.38 104.82 2oec n GLN 1017Ca 0.01 0.78 -0.01 0.00 -1.94 0.00 0.00 57.00 55.85 2oec n GLN 1017Cb 0.66 -5.78 -0.00 0.00 0.11 0.00 0.00 30.24 25.23 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 -1.79 0.48 3.77 1.08 0.00 -1.26 -4.63 105.19 102.84 2oec n GLY 1018Ca -0.05 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.97 3.44 0.00 4.61 0.00 -1.04 -4.82 121.76 121.97 2oec s ALA 1019Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2oec s ALA 1019Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2oec s ALA 1019CO 0.00 -0.75 0.33 1.04 0.00 0.00 0.00 175.76 176.38 2oec n GLN 1020N 0.55 -0.61 -4.51 0.00 6.02 -1.26 -4.29 117.38 113.29 2oec n GLN 1020Ca 0.01 -0.33 -0.22 0.00 -0.01 0.00 0.00 57.00 56.45 2oec n GLN 1020Cb 0.42 -0.83 -0.16 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.02 1.83 0.03 1.08 0.20 -1.26 -0.43 118.68 120.12 2oec s LEU 1021Ca 0.00 -0.23 0.06 0.00 0.69 0.00 0.00 54.13 54.65 2oec s LEU 1021Cb 0.00 -0.66 -0.02 0.00 -0.43 0.00 0.00 46.19 45.07 2oec s LEU 1021CO 0.00 0.09 -0.17 0.00 -0.29 0.00 0.00 176.35 175.98 2oec s ALA 1022N 0.13 1.45 -0.21 5.97 0.00 -0.30 -1.88 121.76 126.93 2oec s ALA 1022Ca -0.03 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 2oec s ALA 1022Cb -0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2oec s ALA 1022CO 0.01 0.31 0.13 0.42 0.00 0.00 0.00 175.76 176.63 2oec s ILE 1023N -0.75 5.32 -0.51 0.00 1.01 0.24 -1.08 121.20 125.43 2oec s ILE 1023Ca 0.05 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.89 2oec s ILE 1023Cb -0.08 -3.44 0.14 0.00 0.01 0.00 0.00 42.46 39.09 2oec s ILE 1023CO 0.01 0.42 0.29 0.68 0.00 0.00 0.00 174.94 176.34 2oec s VAL 1024N 0.53 2.11 0.82 2.92 -7.23 0.35 -1.91 120.40 118.00 2oec s VAL 1024Ca 0.07 -3.15 -0.12 0.00 -1.81 0.00 0.00 61.98 56.97 2oec s VAL 1024Cb -0.12 -2.46 0.09 0.00 0.56 0.00 0.00 36.38 34.45 2oec s VAL 1024CO -0.00 -0.88 1.15 -2.16 -0.31 0.00 0.00 175.10 172.90 2oec s PRO 1025N -0.20 1.85 -0.09 4.82 0.05 -1.23 -3.71 135.00 136.48 2oec s PRO 1025Ca 0.19 0.27 -0.21 0.00 0.05 0.00 0.00 61.00 61.30 2oec s PRO 1025Cb -0.21 -1.92 -0.28 0.00 0.05 0.00 0.00 34.50 32.13 2oec s PRO 1025CO -0.03 -1.70 0.71 0.78 0.05 0.00 0.00 177.00 176.81 2oec h GLY 1026N -1.14 0.24 -5.51 0.56 0.00 -1.83 -0.18 103.07 95.22 2oec h GLY 1026Ca -0.47 -0.62 -0.58 0.00 0.00 0.00 0.00 47.33 45.65 2oec h GLY 1026CO 0.64 0.55 0.71 -0.35 0.00 0.00 0.00 176.54 178.09 2oec s ASP 1027N -6.87 6.95 0.59 0.19 -1.08 -1.26 -1.06 116.67 114.13 2oec s ASP 1027Ca -0.18 1.14 0.28 0.00 -0.52 0.00 0.00 52.55 53.28 2oec s ASP 1027Cb 0.02 -2.51 1.55 0.00 -1.46 0.00 0.00 42.92 40.52 2oec s ASP 1027CO 0.77 -0.70 1.99 1.55 0.52 0.00 0.00 175.17 179.30 2oec h PRO 1028N 7.76 0.00 0.00 4.34 0.13 -1.89 -1.25 132.00 141.09 2oec h PRO 1028Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2oec h PRO 1028Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2oec h PRO 1028CO 0.97 0.00 -0.14 -1.91 -0.23 0.00 0.00 178.00 176.69 2oec n GLU 1029N -3.79 0.16 -0.02 0.86 2.13 -1.26 -3.23 120.64 115.49 2oec n GLU 1029Ca 0.05 0.11 0.13 0.00 0.66 0.00 0.00 57.16 58.11 2oec n GLU 1029Cb 0.51 -1.66 0.34 0.00 0.27 0.00 0.00 31.44 30.91 2oec n GLU 1029CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2oec n ARG 1030N -1.92 1.95 0.08 5.31 5.12 -0.47 -4.41 116.66 122.32 2oec n ARG 1030Ca 0.06 -1.39 -0.12 0.00 -1.93 0.00 0.00 57.85 54.46 2oec n ARG 1030Cb 0.39 -1.47 -0.08 0.00 -1.16 0.00 0.00 32.46 30.14 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 3.30 0.91 -0.75 1.55 2.07 -1.62 -2.40 116.25 119.31 2oec h VAL 1031Ca 0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2oec h VAL 1031Cb 0.70 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 2oec h VAL 1031CO 0.00 0.18 0.48 -0.08 0.02 0.00 0.00 177.57 178.17 2oec h GLU 1032N -0.70 0.99 -0.57 1.57 4.81 -1.80 0.03 114.58 118.91 2oec h GLU 1032Ca -0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2oec h GLU 1032Cb 0.49 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2oec h GLU 1032CO 0.04 0.67 0.31 0.87 -0.73 0.00 0.00 179.01 180.18 2oec h LYS 1033N 1.01 0.78 -0.12 1.92 1.57 -1.78 0.85 116.57 120.79 2oec h LYS 1033Ca 0.27 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2oec h LYS 1033Cb -0.09 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.06 2oec h LYS 1033CO -0.06 0.58 -0.29 0.82 -0.57 0.00 0.00 179.45 179.93 2oec h ILE 1034N 0.79 1.38 0.00 1.86 2.04 -0.90 -3.24 117.51 119.43 2oec h ILE 1034Ca 0.20 -1.58 -0.03 0.00 1.00 0.00 0.00 64.86 64.45 2oec h ILE 1034Cb 0.02 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2oec h ILE 1034CO -0.03 0.47 -0.16 0.00 0.00 0.00 0.00 178.15 178.42 2oec h ALA 1035N 0.52 1.50 0.00 1.87 0.00 -0.34 -2.30 119.26 120.51 2oec h ALA 1035Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2oec h ALA 1035Cb 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2oec h ALA 1035CO 0.06 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2oec h ALA 1036N 1.84 1.00 0.00 0.00 0.00 -0.88 -2.23 119.26 118.99 2oec h ALA 1036Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2oec h ALA 1036Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2oec h ALA 1036CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2oec n LEU 1037N -2.53 0.14 -4.83 0.00 4.77 -0.86 -4.83 117.00 108.85 2oec n LEU 1037Ca 0.01 0.52 -0.27 0.00 -0.03 0.00 0.00 56.01 56.24 2oec n LEU 1037Cb 0.24 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2oec n LEU 1037CO 0.22 -0.10 -0.07 -0.04 -1.33 0.00 0.00 177.39 176.07 2oec s MET 1038N -3.03 2.25 0.41 3.23 -1.94 -0.84 -5.11 119.30 114.27 2oec s MET 1038Ca 0.12 -2.03 -0.23 0.00 -1.71 0.00 0.00 55.69 51.84 2oec s MET 1038Cb 0.16 -1.96 -0.10 0.00 2.01 0.00 0.00 34.83 34.93 2oec s MET 1038CO 0.48 -0.42 0.98 -0.51 -0.01 0.00 0.00 175.02 175.54 2oec s ASP 1039N -4.10 6.90 -1.24 3.03 1.01 0.39 -4.27 116.67 118.40 2oec s ASP 1039Ca 0.30 1.83 -0.18 0.00 0.71 0.00 0.00 52.55 55.21 2oec s ASP 1039Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2oec s ASP 1039CO 0.18 -0.38 0.64 0.29 0.21 0.00 0.00 175.17 176.11 2oec n LYS 1040N -0.31 -1.47 -2.34 8.23 5.02 -1.26 -0.17 118.16 125.86 2oec n LYS 1040Ca 0.06 0.34 -0.41 0.00 -2.02 0.00 0.00 58.31 56.28 2oec n LYS 1040Cb 0.52 -3.82 -0.03 0.00 -0.02 0.00 0.00 35.03 31.67 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 -6.52 4.48 -0.09 1.97 0.04 -1.26 -4.37 135.00 129.25 2oec s PRO 1041Ca 0.35 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 2oec s PRO 1041Cb -0.15 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2oec s PRO 1041CO 0.90 -0.10 0.22 0.54 0.04 0.00 0.00 177.00 178.61 2oec s VAL 1042N -0.16 -0.01 0.19 -0.36 0.11 -0.22 -5.01 120.40 114.94 2oec s VAL 1042Ca 0.53 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 2oec s VAL 1042Cb -0.34 -0.33 -0.09 0.00 -1.53 0.00 0.00 36.38 34.10 2oec s VAL 1042CO 0.38 0.01 1.40 -0.75 -3.33 0.00 0.00 175.10 172.81 2oec s LYS 1043N 0.37 4.32 0.00 1.54 2.36 -1.26 -1.19 119.74 125.87 2oec s LYS 1043Ca -0.02 2.17 0.00 0.00 -2.55 0.00 0.00 55.97 55.57 2oec s LYS 1043Cb -0.04 -3.17 0.00 0.00 -1.05 0.00 0.00 37.83 33.57 2oec s LYS 1043CO -0.02 -0.38 0.00 1.28 1.55 0.00 0.00 175.35 177.78 2oec n LEU 1044N 2.97 0.00 -4.12 5.43 4.77 0.02 -4.87 117.00 121.20 2oec n LEU 1044Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2oec n LEU 1044Cb 0.41 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 2oec n LEU 1044CO 0.59 -0.45 -0.04 0.00 -1.33 0.00 0.00 177.39 176.16 2oec s ALA 1045N -3.06 0.62 -0.29 -1.18 0.00 -1.01 -5.00 121.76 111.84 2oec s ALA 1045Ca 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.60 2oec s ALA 1045Cb 0.00 1.25 0.19 0.00 0.00 0.00 0.00 23.12 24.56 2oec s ALA 1045CO 0.00 -0.71 0.56 0.45 0.00 0.00 0.00 175.76 176.06 2oec s SER 1046N -3.12 -1.20 -0.02 0.00 0.15 -1.25 -1.11 113.70 107.15 2oec s SER 1046Ca 0.32 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2oec s SER 1046Cb 0.03 1.93 0.03 0.00 -1.71 0.00 0.00 66.02 66.30 2oec s SER 1046CO 0.12 -0.29 0.03 -1.00 1.20 0.00 0.00 173.24 173.30 2oec s HIS 1047N 2.79 0.09 0.00 3.44 3.76 -0.37 -4.98 115.29 120.02 2oec s HIS 1047Ca 0.14 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.16 2oec s HIS 1047Cb -0.13 -0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.29 2oec s HIS 1047CO -0.24 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.09 2oec n ARG 1048N 4.21 0.00 -0.29 1.40 1.74 -1.26 -0.36 116.66 122.09 2oec n ARG 1048Ca -0.27 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.90 2oec n ARG 1048Cb 0.50 0.00 0.26 0.00 -1.02 0.00 0.00 32.46 32.20 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 2.35 -3.44 5.56 0.00 -1.26 -4.82 120.64 133.04 2oec n GLU 1049Ca 0.00 -2.10 -0.44 0.00 0.00 0.00 0.00 57.16 54.62 2oec n GLU 1049Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 31.44 29.93 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 -1.23 3.46 -0.22 -1.84 0.08 0.51 -4.02 117.98 114.72 2oec s PHE 1050Ca 0.39 -1.81 -0.07 0.00 0.12 0.00 0.00 56.93 55.55 2oec s PHE 1050Cb 0.20 -3.64 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 2oec s PHE 1050CO 0.27 -0.99 0.07 0.99 -0.10 0.00 0.00 175.22 175.46 2oec s THR 1051N 0.98 4.56 -0.05 0.64 2.01 -1.26 -1.23 115.64 121.29 2oec s THR 1051Ca 0.09 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.05 2oec s THR 1051Cb -0.23 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 2oec s THR 1051CO -0.02 0.39 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.12 2oec s SER 1052N 1.04 2.87 0.08 3.53 1.04 -0.26 -1.49 113.70 120.50 2oec s SER 1052Ca 0.04 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 56.07 2oec s SER 1052Cb -0.14 -0.68 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 2oec s SER 1052CO 0.03 0.24 -0.19 0.26 0.98 0.00 0.00 173.24 174.56 2oec s TRP 1053N -0.23 1.66 0.19 5.02 0.52 0.86 -0.80 118.94 126.16 2oec s TRP 1053Ca -0.01 -0.41 0.06 0.00 0.02 0.00 0.00 56.10 55.76 2oec s TRP 1053Cb -0.12 -0.93 -0.04 0.00 -1.15 0.00 0.00 33.47 31.23 2oec s TRP 1053CO 0.02 0.15 0.11 0.50 0.02 0.00 0.00 176.95 177.76 2oec s ARG 1054N -1.69 2.77 0.17 4.98 3.52 -0.33 -0.31 118.95 128.06 2oec s ARG 1054Ca 0.05 -0.99 -0.06 0.00 -0.13 0.00 0.00 55.73 54.60 2oec s ARG 1054Cb -0.10 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.78 2oec s ARG 1054CO 0.03 0.45 0.33 0.00 -0.81 0.00 0.00 175.30 175.30 2oec n ALA 1055N -0.51 -0.68 -3.29 6.12 0.00 0.10 -1.05 120.51 121.20 2oec n ALA 1055Ca -0.08 -0.58 -0.22 0.00 0.00 0.00 0.00 53.44 52.55 2oec n ALA 1055Cb 0.56 0.47 -0.16 0.00 0.00 0.00 0.00 19.45 20.31 2oec n ALA 1055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2oec s GLU 1056N -2.09 1.23 -0.14 0.00 2.02 0.76 0.18 118.70 120.66 2oec s GLU 1056Ca 0.08 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 54.76 2oec s GLU 1056Cb -0.02 -1.09 0.02 0.00 0.10 0.00 0.00 34.13 33.14 2oec s GLU 1056CO 0.06 0.05 -0.15 -0.51 0.02 0.00 0.00 175.26 174.74 2oec s LEU 1057N 0.48 1.71 -1.63 1.80 1.43 0.30 -0.46 118.68 122.32 2oec s LEU 1057Ca -0.09 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 2oec s LEU 1057Cb -0.12 -1.17 0.12 0.00 0.03 0.00 0.00 46.19 45.04 2oec s LEU 1057CO 0.02 -0.03 0.74 0.47 0.23 0.00 0.00 176.35 177.77 2oec n ASP 1058N 4.61 -2.89 0.00 2.29 8.00 -1.26 -0.60 116.55 126.70 2oec n ASP 1058Ca -0.18 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.34 2oec n ASP 1058Cb 0.50 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 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 -1.56 1.12 3.56 0.44 0.00 -1.26 -5.02 105.19 102.46 2oec n GLY 1059Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.15 2.73 0.10 1.61 1.02 0.23 -5.08 119.74 120.19 2oec s LYS 1060Ca 0.00 -0.58 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 2oec s LYS 1060Cb 0.00 -2.55 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 2oec s LYS 1060CO 0.00 0.64 1.35 0.00 -0.92 0.00 0.00 175.35 176.42 2oec s ALA 1061N -0.75 3.55 -0.03 5.17 0.00 -1.26 -0.54 121.76 127.90 2oec s ALA 1061Ca 0.11 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.18 2oec s ALA 1061Cb -0.11 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2oec s ALA 1061CO 0.01 -0.59 -0.18 0.08 0.00 0.00 0.00 175.76 175.08 2oec s VAL 1062N 1.16 1.48 -0.05 0.00 1.01 0.13 -4.13 120.40 120.00 2oec s VAL 1062Ca 0.63 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2oec s VAL 1062Cb -0.35 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2oec s VAL 1062CO 0.30 0.42 0.22 -0.63 0.00 0.00 0.00 175.10 175.41 2oec s ILE 1063N -0.19 5.37 -0.12 2.22 -1.09 -0.79 0.01 121.20 126.61 2oec s ILE 1063Ca 0.01 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.65 2oec s ILE 1063Cb -0.10 -3.51 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2oec s ILE 1063CO 0.01 0.48 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.36 2oec s VAL 1064N -1.17 1.53 -0.11 2.92 1.01 0.58 -0.59 120.40 124.57 2oec s VAL 1064Ca 0.22 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2oec s VAL 1064Cb -0.13 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.88 2oec s VAL 1064CO 0.11 0.45 0.25 0.00 0.00 0.00 0.00 175.10 175.92 2oec s SER 1066N 1.08 6.27 -0.03 0.00 1.04 -0.56 -3.54 113.70 117.96 2oec s SER 1066Ca -0.08 1.62 0.12 0.00 0.48 0.00 0.00 55.95 58.09 2oec s SER 1066Cb -0.09 -2.51 -0.18 0.00 0.10 0.00 0.00 66.02 63.34 2oec s SER 1066CO -0.07 -0.83 0.23 0.35 0.98 0.00 0.00 173.24 173.90 2oec n THR 1067N -1.96 0.13 -2.41 2.02 -2.24 -0.08 -4.43 114.28 105.32 2oec n THR 1067Ca 0.07 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 2oec n THR 1067Cb 0.54 0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.88 -2.08 3.64 3.38 0.00 -0.22 -3.50 105.19 108.29 2oec n GLY 1068Ca -0.05 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.50 4.98 0.00 -0.61 1.01 -1.26 -4.64 121.20 120.18 2oec s ILE 1069Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2oec s ILE 1069Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2oec s ILE 1069CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2oec n GLY 1070N 3.97 2.48 0.23 6.18 0.00 -1.26 -4.72 105.19 112.06 2oec n GLY 1070Ca -0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 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 0.80 0.66 -0.02 0.00 -1.85 -2.76 103.07 99.90 2oec h GLY 1071Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.10 2oec h GLY 1071CO 0.00 0.24 0.01 -2.55 0.00 0.00 0.00 176.54 174.24 2oec h PRO 1072N 0.71 0.08 -0.06 4.80 0.11 -1.94 0.45 132.00 136.15 2oec h PRO 1072Ca 0.22 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 2oec h PRO 1072Cb -0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 2oec h PRO 1072CO -0.08 0.05 -0.62 0.66 -0.21 0.00 0.00 178.00 177.80 2oec h SER 1073N 0.08 0.25 -0.63 -2.05 4.64 -1.81 -2.78 113.55 111.26 2oec h SER 1073Ca 0.11 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2oec h SER 1073Cb 0.13 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2oec h SER 1073CO -0.18 0.81 0.41 0.74 -0.87 0.00 0.00 176.83 177.75 2oec h THR 1074N 0.16 1.16 -0.35 2.95 2.02 -1.01 -2.28 112.91 115.57 2oec h THR 1074Ca -0.01 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 2oec h THR 1074Cb 1.14 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2oec h THR 1074CO 0.10 0.16 -0.05 0.77 0.37 0.00 0.00 175.52 176.87 2oec h SER 1075N 0.85 0.54 0.13 4.18 4.64 0.03 -0.80 113.55 123.12 2oec h SER 1075Ca 0.23 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2oec h SER 1075Cb -0.09 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2oec h SER 1075CO -0.05 0.65 -0.06 0.40 -0.87 0.00 0.00 176.83 176.90 2oec h ILE 1076N 0.54 1.00 -0.61 0.95 2.04 -1.25 -1.16 117.51 119.02 2oec h ILE 1076Ca 0.11 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2oec h ILE 1076Cb 0.42 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2oec h ILE 1076CO 0.02 0.12 0.36 0.00 0.00 0.00 0.00 178.15 178.65 2oec h ALA 1077N 0.44 0.78 -0.23 1.87 0.00 -1.22 -1.05 119.26 119.84 2oec h ALA 1077Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2oec h ALA 1077Cb 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2oec h ALA 1077CO 0.03 0.27 0.02 0.28 0.00 0.00 0.00 179.25 179.85 2oec h VAL 1078N 0.83 1.24 0.03 0.00 2.07 -1.18 -0.63 116.25 118.61 2oec h VAL 1078Ca 0.22 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.94 2oec h VAL 1078Cb -0.01 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2oec h VAL 1078CO -0.04 0.25 -0.10 -0.08 0.02 0.00 0.00 177.57 177.62 2oec h GLU 1079N 0.18 -0.18 -0.08 1.57 4.57 -1.07 -0.40 114.58 119.16 2oec h GLU 1079Ca 0.07 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 2oec h GLU 1079Cb 0.35 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2oec h GLU 1079CO 0.01 -0.12 -0.55 0.93 -1.18 0.00 0.00 179.01 178.09 2oec h GLU 1080N -0.19 0.23 -0.59 1.92 5.08 -1.16 -0.91 114.58 118.96 2oec h GLU 1080Ca 0.03 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 2oec h GLU 1080Cb 0.22 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2oec h GLU 1080CO -0.08 0.72 0.00 -0.07 -1.00 0.00 0.00 179.01 178.59 2oec h LEU 1081N 0.18 1.02 -1.08 1.33 3.38 -1.03 -2.38 115.31 116.73 2oec h LEU 1081Ca 0.00 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2oec h LEU 1081Cb 1.03 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2oec h LEU 1081CO 0.09 1.08 0.62 0.00 0.09 0.00 0.00 178.44 180.31 2oec h ALA 1082N 0.98 1.35 -0.75 1.53 0.00 -0.60 -0.63 119.26 121.15 2oec h ALA 1082Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2oec h ALA 1082Cb 0.55 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2oec h ALA 1082CO 0.03 0.58 0.34 1.96 0.00 0.00 0.00 179.25 182.16 2oec h GLN 1083N 1.24 1.08 -0.00 0.00 4.20 -0.99 -2.29 115.11 118.35 2oec h GLN 1083Ca 0.35 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2oec h GLN 1083Cb -0.09 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.50 2oec h GLN 1083CO -0.09 0.85 -0.05 1.28 -0.67 0.00 0.00 178.83 180.15 2oec n LEU 1084N -4.31 0.29 0.00 1.46 4.32 -0.68 -4.90 117.00 113.18 2oec n LEU 1084Ca 0.07 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2oec n LEU 1084Cb 0.15 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2oec n LEU 1084CO 0.39 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 2oec n GLY 1085N 1.22 1.02 3.76 -0.72 0.00 -0.51 -4.79 105.19 105.18 2oec n GLY 1085Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.81 3.04 0.00 -0.61 -1.09 -0.36 -4.52 121.20 115.85 2oec s ILE 1086Ca 0.00 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 2oec s ILE 1086Cb 0.00 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2oec s ILE 1086CO 0.00 0.20 0.00 0.54 -1.23 0.00 0.00 174.94 174.45 2oec n ARG 1087N 1.56 3.01 -4.66 2.79 5.12 0.43 -4.23 116.66 120.69 2oec n ARG 1087Ca 0.02 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.69 2oec n ARG 1087Cb 0.43 -0.63 -0.17 0.00 -1.16 0.00 0.00 32.46 30.93 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 -1.02 1.24 -0.09 0.55 2.01 -0.72 -0.82 115.64 116.78 2oec s THR 1088Ca 0.00 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2oec s THR 1088Cb 0.00 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.40 2oec s THR 1088CO 0.00 0.38 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.76 2oec s PHE 1089N 0.62 2.10 -0.27 4.92 0.40 0.19 -1.15 117.98 124.80 2oec s PHE 1089Ca -0.15 -0.85 0.03 0.00 -0.60 0.00 0.00 56.93 55.36 2oec s PHE 1089Cb -0.16 -1.45 0.06 0.00 0.51 0.00 0.00 43.02 41.99 2oec s PHE 1089CO 0.04 -0.38 -0.10 -0.51 0.70 0.00 0.00 175.22 174.98 2oec s LEU 1090N 0.53 3.54 -0.17 -0.37 1.43 -0.24 -1.16 118.68 122.23 2oec s LEU 1090Ca -0.16 -1.44 -0.24 0.00 -1.03 0.00 0.00 54.13 51.26 2oec s LEU 1090Cb -0.17 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2oec s LEU 1090CO 0.06 -0.20 0.79 -0.60 0.23 0.00 0.00 176.35 176.62 2oec s ARG 1091N 1.10 4.28 -0.10 1.70 3.52 -0.27 -0.49 118.95 128.68 2oec s ARG 1091Ca -0.08 0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 56.44 2oec s ARG 1091Cb -0.20 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 2oec s ARG 1091CO -0.05 -0.30 -0.05 -1.50 -0.81 0.00 0.00 175.30 172.59 2oec s ILE 1092N 2.07 3.87 0.31 4.11 2.07 -1.24 -1.18 121.20 131.20 2oec s ILE 1092Ca 0.36 -0.40 -0.05 0.00 -1.41 0.00 0.00 60.65 59.15 2oec s ILE 1092Cb -0.16 -2.63 -0.00 0.00 0.13 0.00 0.00 42.46 39.80 2oec s ILE 1092CO 0.12 0.56 0.46 -0.83 -1.91 0.00 0.00 174.94 173.34 2oec s GLY 1093N -0.41 1.23 0.31 1.50 0.00 -0.31 -4.23 107.32 105.41 2oec s GLY 1093Ca 0.06 -1.36 0.09 0.00 0.00 0.00 0.00 44.72 43.52 2oec s GLY 1093CO 0.02 -0.92 0.03 -0.51 0.00 0.00 0.00 173.10 171.72 2oec s THR 1094N -3.35 3.02 0.11 0.90 -4.23 -1.26 -0.64 115.64 110.18 2oec s THR 1094Ca 0.29 -1.89 -0.25 0.00 -1.18 0.00 0.00 61.69 58.65 2oec s THR 1094Cb 0.00 -2.84 0.07 0.00 1.34 0.00 0.00 72.50 71.07 2oec s THR 1094CO 0.17 -0.27 0.62 0.28 -0.54 0.00 0.00 174.62 174.88 2oec s THR 1095N -2.42 0.00 -0.21 3.99 -1.32 0.17 -4.79 115.64 111.06 2oec s THR 1095Ca 0.34 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.75 2oec s THR 1095Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2oec s THR 1095CO 0.20 0.00 0.06 -0.83 -2.21 0.00 0.00 174.62 171.85 2oec s GLY 1096N -2.35 1.83 0.27 6.08 0.00 -1.26 -1.73 107.32 110.17 2oec s GLY 1096Ca -0.02 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.59 2oec s GLY 1096CO -0.07 0.27 0.74 0.00 0.00 0.00 0.00 173.10 174.04 2oec s ALA 1097N 0.95 3.36 -0.79 3.20 0.00 -0.58 -2.80 121.76 125.09 2oec s ALA 1097Ca 0.04 0.13 0.08 0.00 0.00 0.00 0.00 51.96 52.21 2oec s ALA 1097Cb -0.14 -2.82 0.19 0.00 0.00 0.00 0.00 23.12 20.36 2oec s ALA 1097CO 0.03 0.32 1.09 0.44 0.00 0.00 0.00 175.76 177.64 2oec n ILE 1098N 0.22 0.76 -4.24 0.00 -5.35 0.13 -1.88 119.36 109.00 2oec n ILE 1098Ca 0.01 -0.88 -0.34 0.00 -0.27 0.00 0.00 62.75 61.26 2oec n ILE 1098Cb 0.52 0.66 -0.10 0.00 -1.74 0.00 0.00 39.64 38.98 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 -0.93 3.54 0.20 6.28 -1.52 -1.24 -4.78 119.66 121.21 2oec s GLN 1099Ca 0.16 -0.41 -0.10 0.00 -1.95 0.00 0.00 55.36 53.06 2oec s GLN 1099Cb 0.09 -2.98 0.25 0.00 -0.22 0.00 0.00 33.01 30.15 2oec s GLN 1099CO 0.12 0.43 1.75 -1.35 -0.25 0.00 0.00 175.29 175.99 2oec h PRO 1100N 6.11 0.41 0.00 2.91 0.11 -1.92 -2.57 132.00 137.05 2oec h PRO 1100Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2oec h PRO 1100Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2oec h PRO 1100CO 0.62 0.27 0.00 -2.39 -0.21 0.00 0.00 178.00 176.30 2oec n HIS 1101N -4.97 0.00 -3.90 0.65 1.44 -1.26 -4.61 115.22 102.57 2oec n HIS 1101Ca 0.08 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.44 2oec n HIS 1101Cb 0.25 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.26 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 -2.00 4.93 0.17 0.61 1.01 -0.97 -5.10 121.20 119.84 2oec s ILE 1102Ca 0.26 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.97 2oec s ILE 1102Cb 0.12 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 2oec s ILE 1102CO 0.20 0.43 0.18 0.20 0.00 0.00 0.00 174.94 175.95 2oec s ASN 1103N 0.56 5.75 0.01 3.58 0.01 -1.26 -4.90 114.94 118.69 2oec s ASN 1103Ca 0.05 -0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.84 2oec s ASN 1103Cb -0.13 -1.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.89 2oec s ASN 1103CO 0.01 0.06 1.75 -0.69 -1.51 0.00 0.00 177.10 176.72 2oec s VAL 1104N -1.77 3.23 0.00 1.60 1.01 -1.26 -1.79 120.40 121.42 2oec s VAL 1104Ca 0.32 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2oec s VAL 1104Cb -0.10 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2oec s VAL 1104CO 0.25 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.93 2oec n GLY 1105N 4.22 1.49 3.64 4.51 0.00 0.24 -4.97 105.19 114.31 2oec n GLY 1105Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.53 2.42 -0.06 1.61 1.01 -0.74 -4.75 116.67 114.63 2oec s ASP 1106Ca 0.00 1.44 0.05 0.00 0.71 0.00 0.00 52.55 54.75 2oec s ASP 1106Cb 0.00 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 2oec s ASP 1106CO 0.00 -3.29 -0.22 -0.69 0.21 0.00 0.00 175.17 171.17 2oec s VAL 1107N -2.79 1.85 -0.15 -1.27 1.01 -0.75 -1.22 120.40 117.08 2oec s VAL 1107Ca 0.66 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2oec s VAL 1107Cb -0.20 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2oec s VAL 1107CO 0.59 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 175.39 2oec s LEU 1108N -0.02 3.10 -0.20 3.92 1.43 0.51 -1.49 118.68 125.94 2oec s LEU 1108Ca -0.06 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 2oec s LEU 1108Cb -0.14 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2oec s LEU 1108CO 0.04 0.17 -0.03 -0.69 0.23 0.00 0.00 176.35 176.07 2oec s VAL 1109N 0.36 3.65 -0.25 -1.59 1.01 -0.17 -0.98 120.40 122.43 2oec s VAL 1109Ca -0.06 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2oec s VAL 1109Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2oec s VAL 1109CO 0.04 0.44 0.63 -0.89 0.00 0.00 0.00 175.10 175.31 2oec s THR 1110N 1.07 4.99 0.06 3.92 2.01 -0.71 -1.72 115.64 125.26 2oec s THR 1110Ca 0.01 1.13 -0.10 0.00 0.31 0.00 0.00 61.69 63.04 2oec s THR 1110Cb -0.15 -3.93 -0.30 0.00 0.01 0.00 0.00 72.50 68.14 2oec s THR 1110CO 0.01 0.03 1.11 0.71 -0.69 0.00 0.00 174.62 175.78 2oec h THR 1111N 5.41 1.38 -2.28 -0.82 1.35 -1.11 -3.41 112.91 113.42 2oec h THR 1111Ca -0.27 -2.78 0.11 0.00 -0.55 0.00 0.00 66.41 62.93 2oec h THR 1111Cb 1.12 2.88 -0.15 0.00 -1.73 0.00 0.00 68.15 70.27 2oec h THR 1111CO 0.77 0.82 0.49 0.00 -0.25 0.00 0.00 175.52 177.36 2oec s ALA 1112N -2.76 -1.82 0.05 6.62 0.00 -1.25 -1.29 121.76 121.30 2oec s ALA 1112Ca -0.07 1.01 0.09 0.00 0.00 0.00 0.00 51.96 52.99 2oec s ALA 1112Cb 0.06 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2oec s ALA 1112CO 0.91 -0.69 -0.25 -1.12 0.00 0.00 0.00 175.76 174.61 2oec s SER 1113N -2.48 3.25 0.09 0.00 0.01 -0.43 -1.83 113.70 112.31 2oec s SER 1113Ca 0.05 -0.57 -0.31 0.00 1.31 0.00 0.00 55.95 56.43 2oec s SER 1113Cb -0.01 -0.33 -0.07 0.00 0.21 0.00 0.00 66.02 65.83 2oec s SER 1113CO -0.09 0.26 1.24 -0.69 0.41 0.00 0.00 173.24 174.37 2oec s VAL 1114N -0.82 3.79 -1.09 3.43 1.01 0.29 -4.39 120.40 122.62 2oec s VAL 1114Ca 0.12 1.32 -0.16 0.00 0.00 0.00 0.00 61.98 63.26 2oec s VAL 1114Cb -0.10 -3.84 0.15 0.00 0.00 0.00 0.00 36.38 32.59 2oec s VAL 1114CO 0.02 0.12 1.31 -0.13 0.00 0.00 0.00 175.10 176.42 2oec s ARG 1115N 0.85 3.88 -0.52 2.72 0.52 -1.26 -2.04 118.95 123.10 2oec s ARG 1115Ca 0.59 -2.23 0.02 0.00 -0.52 0.00 0.00 55.73 53.60 2oec s ARG 1115Cb -0.32 -5.01 0.58 0.00 0.52 0.00 0.00 34.95 30.73 2oec s ARG 1115CO 0.31 -1.78 1.94 1.28 0.02 0.00 0.00 175.30 177.07 2oec n LEU 1116N 6.06 6.97 0.00 2.53 4.77 -0.66 -4.93 117.00 131.74 2oec n LEU 1116Ca 0.31 -3.88 -0.16 0.00 -0.03 0.00 0.00 56.01 52.26 2oec n LEU 1116Cb 0.45 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 2oec n LEU 1116CO 0.57 1.22 -0.11 -0.90 -1.33 0.00 0.00 177.39 176.84 2oec n ASP 1117N -1.06 2.62 -0.01 -1.43 5.75 -1.21 -1.55 116.55 119.67 2oec n ASP 1117Ca 0.60 -2.07 -0.01 0.00 -0.01 0.00 0.00 54.79 53.30 2oec n ASP 1117Cb 1.28 0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 41.55 2oec n ASP 1117CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oec n GLY 1118N 2.02 -0.05 0.25 6.12 0.00 -1.26 -4.77 105.19 107.50 2oec n GLY 1118Ca -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.05 1.29 -0.26 4.61 0.00 -1.98 -2.33 119.26 120.64 2oec h ALA 1119Ca -0.03 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2oec h ALA 1119Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2oec h ALA 1119CO 0.00 0.47 0.17 0.66 0.00 0.00 0.00 179.25 180.55 2oec h SER 1120N 0.38 0.25 0.66 0.00 4.64 -1.86 0.41 113.55 118.04 2oec h SER 1120Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2oec h SER 1120Cb 0.49 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2oec h SER 1120CO 0.03 0.18 0.00 0.18 -0.87 0.00 0.00 176.83 176.35 2oec n LEU 1121N -4.50 0.26 -0.07 5.97 4.77 -0.88 -1.54 117.00 121.02 2oec n LEU 1121Ca 0.01 0.56 0.15 0.00 -0.03 0.00 0.00 56.01 56.70 2oec n LEU 1121Cb 0.11 -0.52 0.70 0.00 -2.33 0.00 0.00 43.42 41.38 2oec n LEU 1121CO 0.35 -0.33 0.95 1.41 -1.33 0.00 0.00 177.39 178.44 2oec n HIS 1122N -1.78 0.00 0.00 -1.77 8.25 0.13 -4.03 115.22 116.03 2oec n HIS 1122Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2oec n HIS 1122Cb 0.22 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.06 0.00 -3.64 4.41 3.72 -0.59 -5.09 117.46 115.21 2oec n PHE 1123Ca 0.15 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.41 2oec n PHE 1123Cb 0.25 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.98 -1.22 0.78 4.37 0.00 -0.70 -5.00 121.76 118.01 2oec s ALA 1124Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 2oec s ALA 1124Cb 0.00 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.33 2oec s ALA 1124CO 0.00 -0.37 1.13 -2.14 0.00 0.00 0.00 175.76 174.38 2oec s PRO 1125N -1.67 2.04 0.60 0.00 0.02 -1.26 -3.94 135.00 130.79 2oec s PRO 1125Ca -0.10 1.40 0.29 0.00 0.02 0.00 0.00 61.00 62.61 2oec s PRO 1125Cb -0.02 -1.86 1.64 0.00 0.02 0.00 0.00 34.50 34.28 2oec s PRO 1125CO 0.04 -1.84 2.04 1.98 -0.33 0.00 0.00 177.00 178.89 2oec h MET 1126N -0.96 0.00 0.00 5.54 4.05 -1.93 0.54 114.93 122.17 2oec h MET 1126Ca -0.45 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.95 2oec h MET 1126Cb 1.25 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2oec h MET 1126CO 0.49 0.00 -0.11 0.93 0.23 0.00 0.00 176.91 178.45 2oec h GLU 1127N 0.00 0.00 -6.79 0.39 3.07 -2.03 -3.43 114.58 105.79 2oec h GLU 1127Ca 0.11 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.44 2oec h GLU 1127Cb 0.66 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.62 2oec h GLU 1127CO -0.00 0.11 0.69 0.12 -1.40 0.00 0.00 179.01 178.52 2oec s PHE 1128N -4.60 3.08 0.04 4.33 2.19 0.18 -4.99 117.98 118.21 2oec s PHE 1128Ca -0.04 1.23 -0.30 0.00 0.33 0.00 0.00 56.93 58.15 2oec s PHE 1128Cb 0.15 -3.71 -0.04 0.00 -1.31 0.00 0.00 43.02 38.11 2oec s PHE 1128CO 0.64 -2.16 1.03 -1.25 1.83 0.00 0.00 175.22 175.31 2oec s PRO 1129N -0.92 4.55 -1.44 10.12 0.05 -1.26 -4.96 135.00 141.15 2oec s PRO 1129Ca 0.54 1.51 -0.14 0.00 0.05 0.00 0.00 61.00 62.97 2oec s PRO 1129Cb -0.40 -3.42 0.05 0.00 0.05 0.00 0.00 34.50 30.79 2oec s PRO 1129CO 0.46 -0.05 2.19 0.00 0.05 0.00 0.00 177.00 179.65 2oec n ALA 1130N 3.68 5.49 -2.83 8.56 0.00 -1.26 -4.69 120.51 129.46 2oec n ALA 1130Ca 0.06 -3.92 -0.36 0.00 0.00 0.00 0.00 53.44 49.22 2oec n ALA 1130Cb 0.50 -3.49 -0.07 0.00 0.00 0.00 0.00 19.45 16.39 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 2.96 5.15 0.59 0.00 0.11 -1.26 -1.31 120.40 126.63 2oec s VAL 1131Ca 0.46 0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 59.39 2oec s VAL 1131Cb 0.13 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.69 2oec s VAL 1131CO -0.08 0.57 1.03 0.00 -3.33 0.00 0.00 175.10 173.28 2oec s ALA 1132N -1.04 2.94 0.30 1.54 0.00 -0.41 -4.63 121.76 120.47 2oec s ALA 1132Ca 0.16 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 2oec s ALA 1132Cb -0.12 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 2oec s ALA 1132CO 0.06 -0.65 1.38 0.34 0.00 0.00 0.00 175.76 176.89 2oec s ASP 1133N -3.45 6.68 0.13 0.00 -1.08 0.30 -4.94 116.67 114.30 2oec s ASP 1133Ca 0.59 2.72 -0.15 0.00 -0.52 0.00 0.00 52.55 55.19 2oec s ASP 1133Cb -0.12 -2.64 -0.01 0.00 -1.46 0.00 0.00 42.92 38.68 2oec s ASP 1133CO 0.43 -0.64 1.61 0.15 0.52 0.00 0.00 175.17 177.24 2oec h PHE 1134N 3.98 0.71 -0.41 -5.34 3.57 -1.96 -1.55 116.94 115.94 2oec h PHE 1134Ca -0.48 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 60.91 2oec h PHE 1134Cb 1.22 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2oec h PHE 1134CO 0.57 0.69 0.22 0.00 -2.23 0.00 0.00 178.31 177.57 2oec h ALA 1135N 0.93 0.53 -0.07 2.41 0.00 -1.96 0.70 119.26 121.80 2oec h ALA 1135Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2oec h ALA 1135Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2oec h ALA 1135CO 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 2oec h THR 1137N 0.00 1.24 -0.07 0.00 2.02 -1.05 -1.27 112.91 113.77 2oec h THR 1137Ca 0.03 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 2oec h THR 1137Cb 0.05 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2oec h THR 1137CO -0.07 0.25 0.05 0.74 0.37 0.00 0.00 175.52 176.86 2oec h THR 1138N 1.17 1.05 -0.80 3.16 2.02 -0.57 -0.46 112.91 118.48 2oec h THR 1138Ca 0.31 -0.12 0.07 0.00 0.77 0.00 0.00 66.41 67.44 2oec h THR 1138Cb -0.05 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 2oec h THR 1138CO -0.06 0.04 0.47 0.00 0.37 0.00 0.00 175.52 176.34 2oec h ALA 1139N 0.99 1.11 -0.25 6.16 0.00 -0.80 0.51 119.26 126.98 2oec h ALA 1139Ca 0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2oec h ALA 1139Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2oec h ALA 1139CO -0.01 0.16 -0.09 -0.07 0.00 0.00 0.00 179.25 179.24 2oec h LEU 1140N 0.84 0.51 -0.45 0.00 3.38 -0.97 -0.37 115.31 118.24 2oec h LEU 1140Ca 0.36 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2oec h LEU 1140Cb 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2oec h LEU 1140CO -0.20 0.78 0.18 0.58 0.09 0.00 0.00 178.44 179.87 2oec h VAL 1141N 0.23 1.20 -0.35 1.22 2.07 -0.78 -1.22 116.25 118.62 2oec h VAL 1141Ca 0.06 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2oec h VAL 1141Cb 0.57 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2oec h VAL 1141CO 0.03 0.23 0.10 -0.08 0.02 0.00 0.00 177.57 177.87 2oec h GLU 1142N 0.58 0.55 -0.68 1.57 4.57 -0.85 -1.88 114.58 118.44 2oec h GLU 1142Ca 0.15 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2oec h GLU 1142Cb 0.19 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2oec h GLU 1142CO -0.01 0.59 0.32 0.00 -1.18 0.00 0.00 179.01 178.73 2oec h ALA 1143N 0.94 1.29 -0.64 2.92 0.00 -0.94 -0.92 119.26 121.91 2oec h ALA 1143Ca 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2oec h ALA 1143Cb 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2oec h ALA 1143CO -0.00 0.55 0.23 0.00 0.00 0.00 0.00 179.25 180.02 2oec h ALA 1144N 1.40 0.83 -0.21 0.00 0.00 -0.99 -2.88 119.26 117.41 2oec h ALA 1144Ca 0.23 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 2oec h ALA 1144Cb 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2oec h ALA 1144CO -0.03 0.48 -0.69 0.87 0.00 0.00 0.00 179.25 179.88 2oec h LYS 1145N 0.91 0.83 0.00 0.00 1.57 -0.75 -1.84 116.57 117.30 2oec h LYS 1145Ca 0.21 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2oec h LYS 1145Cb 0.25 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2oec h LYS 1145CO -0.01 1.24 0.00 -1.13 -0.57 0.00 0.00 179.45 178.97 2oec n SER 1146N -3.97 0.12 0.02 0.86 3.41 -0.40 -1.51 113.62 112.14 2oec n SER 1146Ca -0.06 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.17 2oec n SER 1146Cb 0.70 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 2oec n SER 1146CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2oec n ILE 1147N -1.63 0.30 -0.33 -1.33 5.41 -1.07 -4.99 119.36 115.72 2oec n ILE 1147Ca 0.03 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.24 2oec n ILE 1147Cb 0.18 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 2oec n ILE 1147CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2oec n GLY 1148N 1.28 0.71 3.76 7.39 0.00 -0.57 -5.05 105.19 112.70 2oec n GLY 1148Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2oec n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec n ALA 1149N -1.00 1.97 -2.60 4.61 0.00 -0.81 -4.94 120.51 117.73 2oec n ALA 1149Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 2oec n ALA 1149Cb 0.00 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.04 2oec n ALA 1149CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2oec s THR 1150N -1.21 4.31 -0.04 0.00 2.01 -1.26 -4.66 115.64 114.79 2oec s THR 1150Ca 0.63 1.24 0.05 0.00 0.31 0.00 0.00 61.69 63.92 2oec s THR 1150Cb -0.44 -4.54 -0.02 0.00 0.01 0.00 0.00 72.50 67.50 2oec s THR 1150CO 0.56 -0.88 -0.17 -0.89 -0.69 0.00 0.00 174.62 172.54 2oec s THR 1151N 4.19 2.80 -0.06 -0.82 2.01 -1.26 -1.81 115.64 120.69 2oec s THR 1151Ca 0.46 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.68 2oec s THR 1151Cb -0.08 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 2oec s THR 1151CO 0.28 0.59 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.57 2oec s HIS 1152N -0.70 2.51 -0.12 4.92 3.76 -0.55 -4.99 115.29 120.11 2oec s HIS 1152Ca 0.11 -0.63 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 2oec s HIS 1152Cb -0.10 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 31.97 2oec s HIS 1152CO 0.00 -0.16 -0.22 0.08 -0.85 0.00 0.00 174.74 173.59 2oec s VAL 1153N -0.20 2.03 -2.84 -0.90 1.01 -1.26 -1.00 120.40 117.24 2oec s VAL 1153Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2oec s VAL 1153Cb -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2oec s VAL 1153CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2oec n GLY 1154N 3.88 -0.59 3.83 4.51 0.00 -0.70 -4.93 105.19 111.18 2oec n GLY 1154Ca -0.20 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.64 4.78 -0.05 1.61 1.01 -1.26 -0.47 120.40 122.39 2oec s VAL 1155Ca 0.00 1.04 0.04 0.00 0.00 0.00 0.00 61.98 63.05 2oec s VAL 1155Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2oec s VAL 1155CO 0.00 0.38 -0.16 -0.89 0.00 0.00 0.00 175.10 174.43 2oec s THR 1156N -1.31 1.37 -0.22 3.92 2.01 -0.76 -1.22 115.64 119.43 2oec s THR 1156Ca 0.34 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 2oec s THR 1156Cb -0.17 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 2oec s THR 1156CO 0.19 0.40 0.91 0.00 -0.69 0.00 0.00 174.62 175.43 2oec s ALA 1157N 0.19 3.63 -0.34 7.40 0.00 -0.17 -0.55 121.76 131.92 2oec s ALA 1157Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 2oec s ALA 1157Cb -0.13 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.67 2oec s ALA 1157CO 0.03 -0.91 0.10 0.45 0.00 0.00 0.00 175.76 175.43 2oec s SER 1158N 1.25 5.26 -0.04 0.00 0.15 -0.86 -1.82 113.70 117.64 2oec s SER 1158Ca 0.39 -1.21 -0.00 0.00 0.70 0.00 0.00 55.95 55.83 2oec s SER 1158Cb -0.16 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 2oec s SER 1158CO 0.08 -0.33 0.01 -0.55 1.20 0.00 0.00 173.24 173.65 2oec s SER 1159N 1.42 5.21 0.00 5.45 0.15 -0.11 -1.66 113.70 124.17 2oec s SER 1159Ca -0.02 0.08 0.21 0.00 0.70 0.00 0.00 55.95 56.92 2oec s SER 1159Cb -0.20 -1.42 1.01 0.00 -1.71 0.00 0.00 66.02 63.70 2oec s SER 1159CO 0.02 0.33 1.69 0.47 1.20 0.00 0.00 173.24 176.95 2oec n ASP 1160N 1.74 0.00 -4.21 5.45 9.92 -0.59 -4.37 116.55 124.49 2oec n ASP 1160Ca -0.16 0.20 -0.15 0.00 -0.53 0.00 0.00 54.79 54.15 2oec n ASP 1160Cb 0.53 -0.38 -0.11 0.00 -0.64 0.00 0.00 41.12 40.53 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 -2.75 1.09 -0.08 -3.53 -4.23 -1.26 -5.02 115.64 99.85 2oec s THR 1161Ca 0.16 -1.80 0.14 0.00 -1.18 0.00 0.00 61.69 59.01 2oec s THR 1161Cb 0.14 -1.57 -0.16 0.00 1.34 0.00 0.00 72.50 72.26 2oec s THR 1161CO 0.35 -0.60 0.85 0.15 -0.54 0.00 0.00 174.62 174.83 2oec h PHE 1162N 3.27 0.00 0.00 3.99 3.04 -1.97 -3.40 116.94 121.87 2oec h PHE 1162Ca -0.37 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.58 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 0.64 0.75 0.00 0.66 -2.02 0.00 0.00 178.31 178.34 2oec n TYR 1163N -3.00 0.00 -0.06 0.41 4.02 -1.26 -4.44 117.16 112.82 2oec n TYR 1163Ca -0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.67 2oec n TYR 1163Cb 0.91 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 40.24 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 0.76 0.00 -0.72 0.11 -1.87 0.13 132.00 130.42 2oec h PRO 1164Ca 0.00 -0.42 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2oec h PRO 1164Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2oec h PRO 1164CO 0.00 1.05 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 2oec n GLY 1165N 0.14 -1.17 0.75 -0.55 0.00 -1.26 -0.72 105.19 102.38 2oec n GLY 1165Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.15 2oec n GLY 1165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oec n GLN 1166N -2.14 2.91 -3.87 1.61 6.02 -1.02 -4.92 117.38 115.96 2oec n GLN 1166Ca 0.02 -2.42 -0.26 0.00 -0.01 0.00 0.00 57.00 54.33 2oec n GLN 1166Cb 0.19 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 0.02 -4.44 -2.99 -1.09 2.13 0.10 -4.92 120.64 109.45 2oec n GLU 1167Ca 0.16 0.53 -0.40 0.00 0.66 0.00 0.00 57.16 58.11 2oec n GLU 1167Cb 0.64 -5.06 -0.05 0.00 0.27 0.00 0.00 31.44 27.25 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 -6.38 4.47 -0.00 5.31 0.52 -0.00 -4.96 118.95 117.90 2oec s ARG 1168Ca 0.23 1.02 0.14 0.00 -0.52 0.00 0.00 55.73 56.61 2oec s ARG 1168Cb -0.12 -3.39 -0.16 0.00 0.52 0.00 0.00 34.95 31.80 2oec s ARG 1168CO 0.85 0.21 0.59 0.66 0.02 0.00 0.00 175.30 177.63 2oec n TYR 1169N 3.12 0.00 -1.86 -0.53 4.02 -1.26 -4.51 117.16 116.13 2oec n TYR 1169Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 2oec n TYR 1169Cb 0.51 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.40 4.11 -3.71 7.72 4.64 -1.26 -4.09 116.55 122.55 2oec n ASP 1170Ca 0.02 -2.89 -0.19 0.00 -1.38 0.00 0.00 54.79 50.36 2oec n ASP 1170Cb 0.24 -1.63 -0.09 0.00 -1.04 0.00 0.00 41.12 38.60 2oec n ASP 1170CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 2oec s THR 1171N 2.79 0.15 0.22 5.18 -4.23 -1.26 -5.01 115.64 113.48 2oec s THR 1171Ca 0.46 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 2oec s THR 1171Cb 0.13 -2.48 0.18 0.00 1.34 0.00 0.00 72.50 71.67 2oec s THR 1171CO -0.07 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 175.95 2oec h TYR 1172N 2.17 0.36 0.00 3.99 3.20 -1.99 -3.01 116.97 121.69 2oec h TYR 1172Ca -0.30 0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.33 2oec h TYR 1172Cb 1.24 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 2oec h TYR 1172CO 1.35 0.03 -1.70 -1.13 -1.64 0.00 0.00 178.16 175.07 2oec n SER 1173N -5.05 0.83 -0.28 -2.11 3.41 -1.26 -4.95 113.62 104.20 2oec n SER 1173Ca 0.11 0.39 -0.04 0.00 -0.26 0.00 0.00 58.87 59.07 2oec n SER 1173Cb 0.35 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 2oec n SER 1173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oec n GLY 1174N 1.54 0.57 3.51 5.00 0.00 -1.14 -5.00 105.19 109.67 2oec n GLY 1174Ca -0.17 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.67 2.43 -0.04 1.61 3.52 -1.26 -4.92 118.95 118.61 2oec s ARG 1175Ca 0.00 -0.76 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 2oec s ARG 1175Cb 0.00 -2.38 -0.00 0.00 -1.56 0.00 0.00 34.95 31.01 2oec s ARG 1175CO 0.00 0.60 -0.17 0.14 -0.81 0.00 0.00 175.30 175.07 2oec s VAL 1176N -0.84 1.38 0.52 7.11 -7.23 -1.26 -4.92 120.40 115.15 2oec s VAL 1176Ca 0.14 -0.69 -0.21 0.00 -1.81 0.00 0.00 61.98 59.40 2oec s VAL 1176Cb -0.11 -1.19 -0.08 0.00 0.56 0.00 0.00 36.38 35.57 2oec s VAL 1176CO 0.03 0.40 0.97 0.55 -0.31 0.00 0.00 175.10 176.75 2oec n VAL 1177N 3.14 3.04 -0.27 1.32 3.14 -1.26 -4.53 118.33 122.91 2oec n VAL 1177Ca -0.18 -0.50 -0.02 0.00 -2.96 0.00 0.00 64.34 60.68 2oec n VAL 1177Cb 0.53 -1.16 0.01 0.00 -1.06 0.00 0.00 33.84 32.16 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 -0.44 -0.19 -0.28 1.45 0.63 -1.26 -0.45 116.66 116.12 2oec n ARG 1178Ca 0.11 1.07 0.19 0.00 -0.92 0.00 0.00 57.85 58.30 2oec n ARG 1178Cb 0.44 -1.58 0.47 0.00 0.45 0.00 0.00 32.46 32.24 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 0.46 -0.01 -0.14 2.43 -2.02 -2.30 114.38 112.80 2oec h ARG 1179Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2oec h ARG 1179Cb 0.39 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2oec h ARG 1179CO -0.68 0.31 -0.69 1.19 -1.51 0.00 0.00 179.97 178.59 2oec n PHE 1180N -4.58 0.00 -1.69 2.20 3.72 0.40 -4.72 117.46 112.79 2oec n PHE 1180Ca 0.21 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.18 2oec n PHE 1180Cb 0.71 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.19 2oec n PHE 1180CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2oec n LYS 1181N -0.84 2.68 -1.03 -1.08 5.02 -0.87 -2.15 118.16 119.90 2oec n LYS 1181Ca 0.07 0.97 -0.01 0.00 -2.02 0.00 0.00 58.31 57.32 2oec n LYS 1181Cb 0.39 -2.84 -0.00 0.00 -0.02 0.00 0.00 35.03 32.55 2oec n LYS 1181CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oec n GLY 1182N 4.07 0.31 0.17 0.72 0.00 -1.26 -4.89 105.19 104.31 2oec n GLY 1182Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.49 -0.46 1.61 4.64 -1.72 -3.08 113.55 115.02 2oec h SER 1183Ca -0.02 -0.35 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 2oec h SER 1183Cb 0.59 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2oec h SER 1183CO 0.03 1.12 0.11 -0.03 -0.87 0.00 0.00 176.83 177.19 2oec h MET 1184N 0.25 0.74 -0.21 4.77 -1.53 -1.90 -0.32 114.93 116.73 2oec h MET 1184Ca -0.05 -0.18 -0.02 0.00 -3.44 0.00 0.00 59.70 56.01 2oec h MET 1184Cb 1.42 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 32.36 2oec h MET 1184CO 0.14 0.74 0.05 1.49 0.14 0.00 0.00 176.91 179.46 2oec h GLU 1185N 0.62 0.30 -0.22 0.39 4.81 -1.97 -0.35 114.58 118.16 2oec h GLU 1185Ca 0.15 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 2oec h GLU 1185Cb 0.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2oec h GLU 1185CO 0.00 0.29 -0.49 1.49 -0.73 0.00 0.00 179.01 179.56 2oec h GLU 1186N 0.30 0.72 -0.76 1.92 4.81 -1.28 -2.03 114.58 118.26 2oec h GLU 1186Ca 0.07 -0.48 -0.06 0.00 -0.13 0.00 0.00 59.36 58.76 2oec h GLU 1186Cb 0.13 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2oec h GLU 1186CO -0.00 1.10 0.24 -1.49 -0.73 0.00 0.00 179.01 178.13 2oec h TRP 1187N 0.43 1.22 -0.40 0.92 -0.00 -0.52 -1.94 115.95 115.65 2oec h TRP 1187Ca -0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 58.89 58.77 2oec h TRP 1187Cb 1.11 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.89 2oec h TRP 1187CO 0.09 0.95 0.24 1.96 -0.00 0.00 0.00 178.44 181.68 2oec h GLN 1188N 1.13 0.54 0.00 0.49 4.20 -1.05 -0.61 115.11 119.81 2oec h GLN 1188Ca 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2oec h GLN 1188Cb 0.31 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2oec h GLN 1188CO -0.01 0.41 -0.19 0.00 -0.67 0.00 0.00 178.83 178.37 2oec h ALA 1189N 1.11 1.21 -0.01 3.87 0.00 -1.22 -1.82 119.26 122.39 2oec h ALA 1189Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2oec h ALA 1189Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2oec h ALA 1189CO -0.03 0.24 0.00 -1.33 0.00 0.00 0.00 179.25 178.13 2oec n MET 1190N -3.62 1.36 -0.64 0.00 2.81 -0.74 -4.92 117.12 111.37 2oec n MET 1190Ca -0.01 -0.53 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 2oec n MET 1190Cb 0.32 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.09 0.67 3.74 3.03 0.00 -0.69 -5.03 105.19 108.01 2oec n GLY 1191Ca 0.21 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 2.95 0.05 1.61 1.01 -0.31 -4.67 120.40 119.04 2oec s VAL 1192Ca 0.00 0.79 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 2oec s VAL 1192Cb 0.00 -3.50 -0.31 0.00 0.00 0.00 0.00 36.38 32.57 2oec s VAL 1192CO 0.00 0.12 1.08 0.24 0.00 0.00 0.00 175.10 176.54 2oec h MET 1193N 5.23 0.61 -2.42 2.72 0.00 -1.49 -3.41 114.93 116.16 2oec h MET 1193Ca -0.45 -0.85 0.14 0.00 0.00 0.00 0.00 59.70 58.54 2oec h MET 1193Cb 1.22 0.29 -0.10 0.00 0.00 0.00 0.00 31.60 33.01 2oec h MET 1193CO 0.78 1.39 0.45 0.54 0.00 0.00 0.00 176.91 180.07 2oec s ASN 1194N -7.45 -0.26 -0.01 1.22 4.22 -1.26 -0.69 114.94 110.72 2oec s ASN 1194Ca -0.10 -0.29 -0.00 0.00 -2.14 0.00 0.00 52.86 50.33 2oec s ASN 1194Cb 0.05 0.49 -0.04 0.00 1.28 0.00 0.00 41.25 43.03 2oec s ASN 1194CO 0.93 -0.87 0.06 -0.31 -2.04 0.00 0.00 177.10 174.88 2oec s TYR 1195N -3.33 3.25 0.00 1.54 2.02 -1.12 -1.00 117.35 118.70 2oec s TYR 1195Ca 0.10 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 2oec s TYR 1195Cb -0.02 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2oec s TYR 1195CO -0.01 0.53 0.00 -0.85 -1.57 0.00 0.00 175.55 173.65 2oec n GLU 1196N 1.24 0.00 0.00 -0.62 -0.00 -0.76 -3.98 120.64 116.52 2oec n GLU 1196Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.03 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 0.29 0.00 3.44 2.81 -1.26 -0.93 117.12 121.47 2oec n MET 1197Ca 0.00 -0.57 0.00 0.00 -1.81 0.00 0.00 57.70 55.32 2oec n MET 1197Cb 0.00 -0.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 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 -0.10 2.14 -0.04 0.03 4.71 -1.26 -3.54 120.64 122.57 2oec n GLU 1198Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 2oec n GLU 1198Cb 0.21 -0.88 0.19 0.00 -1.01 0.00 0.00 31.44 29.95 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 0.61 -0.50 1.62 4.64 -1.94 -1.93 113.55 116.05 2oec h SER 1199Ca 0.00 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 2oec h SER 1199Cb 0.34 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 2oec h SER 1199CO 0.00 0.76 0.25 0.00 -0.87 0.00 0.00 176.83 176.97 2oec h ALA 1200N 1.30 0.63 0.22 5.18 0.00 -1.87 0.25 119.26 124.96 2oec h ALA 1200Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2oec h ALA 1200Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2oec h ALA 1200CO 0.03 -0.09 -0.10 1.15 0.00 0.00 0.00 179.25 180.24 2oec h THR 1201N 0.50 0.86 -0.10 0.00 2.02 -1.87 -2.13 112.91 112.19 2oec h THR 1201Ca 0.22 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.88 2oec h THR 1201Cb 0.12 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 2oec h THR 1201CO -0.15 0.12 -0.36 0.25 0.37 0.00 0.00 175.52 175.75 2oec h LEU 1202N -0.58 -1.12 -0.36 2.58 5.85 -1.12 -1.66 115.31 118.90 2oec h LEU 1202Ca -0.03 0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2oec h LEU 1202Cb 0.43 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2oec h LEU 1202CO 0.05 -0.40 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.37 2oec h LEU 1203N -0.46 0.89 0.19 2.25 3.38 -0.57 -2.18 115.31 118.80 2oec h LEU 1203Ca 0.08 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2oec h LEU 1203Cb 0.59 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2oec h LEU 1203CO -0.35 1.16 -0.09 0.74 0.09 0.00 0.00 178.44 179.99 2oec h THR 1204N 0.64 0.89 -0.10 0.22 2.02 -1.35 0.28 112.91 115.50 2oec h THR 1204Ca 0.06 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2oec h THR 1204Cb 0.90 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 2oec h THR 1204CO 0.08 0.09 0.00 0.00 0.37 0.00 0.00 175.52 176.07 2oec h MET 1205N -0.44 0.14 0.00 6.66 -0.00 -1.31 -1.35 114.93 118.62 2oec h MET 1205Ca -0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2oec h MET 1205Cb 0.34 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.91 2oec h MET 1205CO 0.04 0.15 -0.07 0.00 -0.00 0.00 0.00 176.91 177.04 2oec h ALA 1207N -0.05 1.21 -0.41 0.00 0.00 -0.75 -1.26 119.26 117.99 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 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2oec h ALA 1207CO -0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 2oec n SER 1208N -3.39 3.28 -0.26 0.00 3.41 -0.53 -4.40 113.62 111.74 2oec n SER 1208Ca -0.03 -1.94 0.03 0.00 -0.26 0.00 0.00 58.87 56.68 2oec n SER 1208Cb 0.08 -0.27 0.05 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.21 0.68 -2.84 4.33 6.02 -0.57 -5.00 117.38 121.22 2oec n GLN 1209Ca 0.17 -1.52 -0.17 0.00 -0.01 0.00 0.00 57.00 55.47 2oec n GLN 1209Cb 0.53 -0.88 0.03 0.00 1.02 0.00 0.00 30.24 30.94 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 -0.53 -0.22 3.52 1.08 0.00 -1.06 -5.02 105.19 102.96 2oec n GLY 1210Ca 0.05 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.15 2.83 -0.02 0.99 1.43 -0.66 -5.05 118.68 113.05 2oec s LEU 1211Ca 0.23 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 2oec s LEU 1211Cb -0.10 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 2oec s LEU 1211CO 0.29 0.19 0.41 -0.13 0.23 0.00 0.00 176.35 177.33 2oec s ARG 1212N -2.10 3.98 -0.03 1.70 0.52 -0.00 -3.93 118.95 119.10 2oec s ARG 1212Ca 0.19 0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 55.76 2oec s ARG 1212Cb -0.11 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.11 2oec s ARG 1212CO 0.11 0.61 0.10 0.00 0.02 0.00 0.00 175.30 176.14 2oec s ALA 1213N -0.80 -0.24 0.14 2.13 0.00 -1.26 -0.64 121.76 121.10 2oec s ALA 1213Ca 0.23 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.41 2oec s ALA 1213Cb -0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2oec s ALA 1213CO 0.12 -0.08 -0.05 0.20 0.00 0.00 0.00 175.76 175.95 2oec s GLY 1214N -0.22 1.05 -0.10 0.00 0.00 -0.31 -0.54 107.32 107.20 2oec s GLY 1214Ca -0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 44.72 43.16 2oec s GLY 1214CO 0.00 -1.53 0.19 -0.29 0.00 0.00 0.00 173.10 171.47 2oec s MET 1215N -3.83 0.07 0.05 2.90 1.75 -1.26 -1.12 119.30 117.86 2oec s MET 1215Ca 0.18 0.60 0.03 0.00 -1.25 0.00 0.00 55.69 55.26 2oec s MET 1215Cb 0.05 -0.20 -0.02 0.00 2.84 0.00 0.00 34.83 37.49 2oec s MET 1215CO 0.00 -0.29 -0.10 0.54 -0.65 0.00 0.00 175.02 174.52 2oec s VAL 1216N 2.24 0.79 -0.05 10.11 0.11 -0.33 -1.73 120.40 131.53 2oec s VAL 1216Ca 0.02 -1.11 -0.17 0.00 -2.93 0.00 0.00 61.98 57.78 2oec s VAL 1216Cb -0.12 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 2oec s VAL 1216CO -0.07 -0.27 0.39 0.00 -3.33 0.00 0.00 175.10 171.83 2oec s ALA 1217N -1.23 -0.99 -0.14 1.54 0.00 -0.15 -1.16 121.76 119.63 2oec s ALA 1217Ca -0.06 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.44 2oec s ALA 1217Cb -0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2oec s ALA 1217CO 0.01 -0.26 0.29 0.20 0.00 0.00 0.00 175.76 176.00 2oec s GLY 1218N -0.96 2.24 -0.45 0.00 0.00 0.18 -0.36 107.32 107.96 2oec s GLY 1218Ca -0.10 -0.44 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 2oec s GLY 1218CO 0.04 0.33 1.17 0.14 0.00 0.00 0.00 173.10 174.79 2oec s VAL 1219N 0.17 4.19 -0.77 1.40 1.01 -0.36 -0.66 120.40 125.38 2oec s VAL 1219Ca 0.17 1.23 0.07 0.00 0.00 0.00 0.00 61.98 63.45 2oec s VAL 1219Cb -0.13 -4.53 0.10 0.00 0.00 0.00 0.00 36.38 31.82 2oec s VAL 1219CO 0.05 -0.93 0.87 2.30 0.00 0.00 0.00 175.10 177.39 2oec n ILE 1220N 6.79 0.34 -3.43 2.22 -6.64 -0.70 0.83 119.36 118.77 2oec n ILE 1220Ca 0.13 -0.67 -0.12 0.00 -1.77 0.00 0.00 62.75 60.32 2oec n ILE 1220Cb 0.49 0.93 -0.02 0.00 -1.44 0.00 0.00 39.64 39.59 2oec n ILE 1220CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 2oec s VAL 1221N -0.72 0.00 -0.16 7.28 0.11 -1.23 -4.77 120.40 120.91 2oec s VAL 1221Ca 0.10 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2oec s VAL 1221Cb 0.06 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.99 2oec s VAL 1221CO 0.09 0.00 0.18 0.21 -3.33 0.00 0.00 175.10 172.25 2oec s ASN 1222N -2.67 1.34 0.21 3.54 3.84 -1.26 -1.53 114.94 118.40 2oec s ASN 1222Ca 0.01 -0.11 -0.10 0.00 0.21 0.00 0.00 52.86 52.86 2oec s ASN 1222Cb -0.01 0.26 0.30 0.00 -0.55 0.00 0.00 41.25 41.25 2oec s ASN 1222CO -0.12 -0.31 1.67 0.03 -2.79 0.00 0.00 177.10 175.59 2oec h ARG 1223N 8.34 0.14 0.00 0.43 2.47 -1.72 -2.42 114.38 121.62 2oec h ARG 1223Ca -0.16 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2oec h ARG 1223Cb 1.14 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2oec h ARG 1223CO 0.24 0.09 0.00 0.25 0.56 0.00 0.00 179.97 181.11 2oec n THR 1224N -5.25 0.14 -3.54 2.04 -2.24 -1.26 -4.81 114.28 99.36 2oec n THR 1224Ca 0.09 0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.70 2oec n THR 1224Cb 0.35 -0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.59 3.24 -0.01 -0.78 -0.21 -0.91 -4.94 119.66 113.45 2oec s GLN 1225Ca 0.25 -0.81 0.15 0.00 0.02 0.00 0.00 55.36 54.97 2oec s GLN 1225Cb 0.18 -2.79 -0.20 0.00 1.00 0.00 0.00 33.01 31.20 2oec s GLN 1225CO 0.41 0.13 0.51 1.04 -2.12 0.00 0.00 175.29 175.26 2oec n GLN 1226N -1.65 1.31 0.00 2.91 6.02 -1.26 -4.95 117.38 119.76 2oec n GLN 1226Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2oec n GLN 1226Cb 0.58 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.55 2oec n GLN 1226CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2oec n GLU 1227N -1.66 2.45 0.05 -1.09 0.00 -1.26 -5.09 120.64 114.04 2oec n GLU 1227Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2oec n GLU 1227Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.75 2oec n GLU 1227CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2oec n ILE 1228N -0.04 0.63 -0.01 3.84 -0.00 -1.26 -5.04 119.36 117.47 2oec n ILE 1228Ca 0.00 0.21 -0.03 0.00 -0.00 0.00 0.00 62.75 62.93 2oec n ILE 1228Cb 0.00 -1.12 -0.01 0.00 -0.00 0.00 0.00 39.64 38.51 2oec n ILE 1228CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2oec n PRO 1229N -3.19 0.17 -3.95 0.38 -0.05 -1.26 -4.70 135.00 122.41 2oec n PRO 1229Ca 0.00 0.07 -0.11 0.00 -0.05 0.00 0.00 63.50 63.41 2oec n PRO 1229Cb 0.00 -0.73 -0.02 0.00 -0.05 0.00 0.00 33.50 32.71 2oec n PRO 1229CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 2oec s ASN 1230N -5.55 0.27 0.04 3.54 4.22 -1.26 -5.09 114.94 111.11 2oec s ASN 1230Ca -0.09 -1.16 -0.16 0.00 -2.14 0.00 0.00 52.86 49.30 2oec s ASN 1230Cb 0.01 0.72 -0.30 0.00 1.28 0.00 0.00 41.25 42.97 2oec s ASN 1230CO 0.14 -1.41 1.07 0.00 -2.04 0.00 0.00 177.10 174.86 2oec h ALA 1231N 2.09 -0.03 -0.05 3.54 0.00 -2.00 -3.27 119.26 119.53 2oec h ALA 1231Ca -0.28 -0.77 -0.11 0.00 0.00 0.00 0.00 54.91 53.75 2oec h ALA 1231Cb 1.25 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2oec h ALA 1231CO 0.37 0.65 -0.45 1.49 0.00 0.00 0.00 179.25 181.30 2oec h GLU 1232N 0.19 0.12 0.05 0.00 4.57 -1.99 -1.16 114.58 116.37 2oec h GLU 1232Ca -0.19 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 57.69 2oec h GLU 1232Cb 1.90 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.49 2oec h GLU 1232CO 0.23 0.56 -1.03 1.79 -1.18 0.00 0.00 179.01 179.37 2oec h THR 1233N 0.10 1.46 -0.71 0.32 1.35 -1.99 -1.10 112.91 112.34 2oec h THR 1233Ca 0.01 -2.72 -0.05 0.00 -0.55 0.00 0.00 66.41 63.10 2oec h THR 1233Cb 0.84 2.62 -0.03 0.00 -1.73 0.00 0.00 68.15 69.85 2oec h THR 1233CO 0.06 0.80 0.27 0.24 -0.25 0.00 0.00 175.52 176.64 2oec h MET 1234N 0.15 1.07 -0.41 4.72 2.86 -1.54 0.25 114.93 122.02 2oec h MET 1234Ca -0.09 -0.20 -0.14 0.00 -2.06 0.00 0.00 59.70 57.21 2oec h MET 1234Cb 1.70 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 2oec h MET 1234CO 0.17 0.90 -0.29 0.87 1.06 0.00 0.00 176.91 179.62 2oec h LYS 1235N 1.02 0.92 0.11 1.72 1.57 -1.23 -2.30 116.57 118.38 2oec h LYS 1235Ca 0.23 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2oec h LYS 1235Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2oec h LYS 1235CO -0.02 1.10 -0.05 0.37 -0.57 0.00 0.00 179.45 180.28 2oec h GLN 1236N 0.74 -0.14 -0.91 3.15 5.75 -0.91 -2.65 115.11 120.14 2oec h GLN 1236Ca 0.08 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.65 2oec h GLN 1236Cb 0.87 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.39 2oec h GLN 1236CO 0.08 0.05 0.57 1.15 -2.65 0.00 0.00 178.83 178.03 2oec h THR 1237N -0.30 1.07 -0.33 2.39 2.02 -0.57 -2.12 112.91 115.07 2oec h THR 1237Ca -0.01 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.86 2oec h THR 1237Cb 0.25 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 2oec h THR 1237CO 0.02 0.19 0.01 -0.08 0.37 0.00 0.00 175.52 176.04 2oec h GLU 1238N 1.06 0.11 0.00 6.66 4.81 -1.25 -0.87 114.58 125.09 2oec h GLU 1238Ca 0.39 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 2oec h GLU 1238Cb 0.14 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2oec h GLU 1238CO -0.16 0.07 -0.23 0.66 -0.73 0.00 0.00 179.01 178.62 2oec h SER 1239N 0.11 0.00 0.44 1.04 4.64 -1.09 -1.24 113.55 117.45 2oec h SER 1239Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 2oec h SER 1239Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2oec h SER 1239CO -0.25 0.23 -0.36 0.45 -0.87 0.00 0.00 176.83 176.03 2oec h HIS 1240N 0.00 -0.97 -0.98 4.77 3.86 -0.55 0.80 115.15 122.09 2oec h HIS 1240Ca -0.00 0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.41 2oec h HIS 1240Cb 0.44 0.37 -0.09 0.00 1.06 0.00 0.00 27.41 29.18 2oec h HIS 1240CO 0.00 -0.50 0.62 0.00 0.86 0.00 0.00 177.93 178.91 2oec h ALA 1241N -1.25 1.89 -0.26 2.45 0.00 -1.00 0.69 119.26 121.78 2oec h ALA 1241Ca -0.06 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2oec h ALA 1241Cb 0.65 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2oec h ALA 1241CO 0.00 -0.24 -0.34 0.28 0.00 0.00 0.00 179.25 178.95 2oec h VAL 1242N 0.62 1.31 -0.73 0.00 2.07 -1.00 -0.02 116.25 118.49 2oec h VAL 1242Ca 0.55 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.59 2oec h VAL 1242Cb 1.04 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2oec h VAL 1242CO -0.31 0.49 0.44 0.11 0.02 0.00 0.00 177.57 178.32 2oec h LYS 1243N 0.42 0.80 -0.34 1.57 1.57 0.28 -2.68 116.57 118.18 2oec h LYS 1243Ca 0.03 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2oec h LYS 1243Cb 0.93 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2oec h LYS 1243CO 0.08 0.53 0.16 0.82 -0.57 0.00 0.00 179.45 180.46 2oec h ILE 1244N 0.82 1.17 -0.19 1.86 2.04 -0.53 -2.16 117.51 120.51 2oec h ILE 1244Ca 0.32 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2oec h ILE 1244Cb 0.13 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2oec h ILE 1244CO -0.16 0.18 -0.29 1.62 0.00 0.00 0.00 178.15 179.51 2oec h VAL 1245N 0.42 1.27 -0.20 1.67 3.04 -0.85 -0.97 116.25 120.63 2oec h VAL 1245Ca 0.12 -1.28 -0.09 0.00 -1.01 0.00 0.00 66.70 64.43 2oec h VAL 1245Cb 0.14 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2oec h VAL 1245CO -0.01 0.40 -0.24 0.58 -1.01 0.00 0.00 177.57 177.28 2oec h VAL 1246N 0.33 1.33 -0.59 1.51 2.07 -1.39 -0.42 116.25 119.10 2oec h VAL 1246Ca 0.05 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 2oec h VAL 1246Cb 0.67 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2oec h VAL 1246CO 0.05 0.44 0.19 -0.33 0.02 0.00 0.00 177.57 177.93 2oec h GLU 1247N 0.18 0.88 -0.22 1.57 4.39 -1.26 -1.68 114.58 118.45 2oec h GLU 1247Ca 0.03 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2oec h GLU 1247Cb 0.81 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2oec h GLU 1247CO 0.06 0.75 0.08 0.00 -1.16 0.00 0.00 179.01 178.74 2oec h ALA 1248N 1.35 0.28 -0.53 3.43 0.00 -1.08 -2.64 119.26 120.07 2oec h ALA 1248Ca 0.19 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2oec h ALA 1248Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2oec h ALA 1248CO -0.01 -0.11 0.36 0.00 0.00 0.00 0.00 179.25 179.49 2oec h ALA 1249N 0.91 2.06 -0.67 0.00 0.00 -0.72 -0.69 119.26 120.16 2oec h ALA 1249Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2oec h ALA 1249Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2oec h ALA 1249CO -0.00 -0.18 0.25 -0.09 0.00 0.00 0.00 179.25 179.23 2oec h ARG 1250N 0.33 0.99 0.00 0.00 2.43 -0.94 -2.25 114.38 114.95 2oec h ARG 1250Ca 0.25 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2oec h ARG 1250Cb 0.53 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2oec h ARG 1250CO -0.06 0.82 0.00 0.54 -1.51 0.00 0.00 179.97 179.76 2oec n ARG 1251N -4.29 0.07 0.00 0.20 1.74 -0.28 -3.57 116.66 110.52 2oec n ARG 1251Ca 0.06 0.15 0.06 0.00 -0.77 0.00 0.00 57.85 57.35 2oec n ARG 1251Cb 0.18 -1.59 0.04 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.71 1.85 0.00 0.55 4.77 -0.86 -5.06 117.00 116.54 2oec n LEU 1252Ca 0.05 -0.93 0.12 0.00 -0.03 0.00 0.00 56.01 55.23 2oec n LEU 1252Cb 0.30 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.13 2oec n LEU 1252CO 0.23 0.35 0.92 0.18 -1.33 0.00 0.00 177.39 177.74