#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oec h ASP 1005N 0.00 0.71 -3.22 -3.46 3.32 -1.51 -3.46 116.42 108.80 2oec h ASP 1005Ca 0.00 -0.71 -0.64 0.00 0.02 0.00 0.00 57.03 55.69 2oec h ASP 1005Cb 0.00 -0.23 -0.10 0.00 0.22 0.00 0.00 39.33 39.22 2oec h ASP 1005CO 0.00 1.54 -0.62 0.68 -1.72 0.00 0.00 179.24 179.12 2oec s VAL 1006N -2.77 4.35 0.18 -1.35 -7.23 -1.13 -5.02 120.40 107.42 2oec s VAL 1006Ca -0.07 -0.86 -0.10 0.00 -1.81 0.00 0.00 61.98 59.14 2oec s VAL 1006Cb 0.06 -3.09 0.09 0.00 0.56 0.00 0.00 36.38 34.00 2oec s VAL 1006CO 0.92 0.11 1.71 0.15 -0.31 0.00 0.00 175.10 177.69 2oec h PHE 1007N 3.31 1.07 0.00 2.82 3.57 -1.93 -3.21 116.94 122.57 2oec h PHE 1007Ca -0.47 -0.11 -0.42 0.00 3.53 0.00 0.00 57.97 60.50 2oec h PHE 1007Cb 1.16 -0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 2oec h PHE 1007CO 0.61 0.87 -2.47 0.72 -2.23 0.00 0.00 178.31 175.81 2oec n HIS 1008N -4.33 0.07 0.16 0.41 8.25 -1.26 -4.57 115.22 113.94 2oec n HIS 1008Ca 0.04 0.02 0.02 0.00 -0.26 0.00 0.00 57.72 57.54 2oec n HIS 1008Cb 0.23 -1.01 0.21 0.00 1.12 0.00 0.00 29.99 30.54 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 -0.41 0.00 -0.94 2.41 3.38 -1.93 -3.43 115.31 114.39 2oec h LEU 1009Ca -0.62 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.11 2oec h LEU 1009Cb 1.78 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.62 2oec h LEU 1009CO -0.22 0.52 -0.41 0.61 0.09 0.00 0.00 178.44 179.03 2oec n GLY 1010N 0.47 0.06 3.39 0.83 0.00 -1.21 -4.65 105.19 104.07 2oec n GLY 1010Ca -0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.76 2.52 0.25 0.99 1.43 -1.26 -2.83 118.68 115.03 2oec s LEU 1011Ca 0.34 -0.97 0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2oec s LEU 1011Cb -0.15 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 2oec s LEU 1011CO 0.43 -0.04 -0.20 0.42 0.23 0.00 0.00 176.35 177.19 2oec s THR 1012N -2.45 2.38 0.35 5.49 -4.23 -1.26 -1.25 115.64 114.67 2oec s THR 1012Ca 0.23 -2.30 0.13 0.00 -1.18 0.00 0.00 61.69 58.56 2oec s THR 1012Cb -0.04 -2.23 0.34 0.00 1.34 0.00 0.00 72.50 71.91 2oec s THR 1012CO 0.10 -0.35 1.75 0.50 -0.54 0.00 0.00 174.62 176.08 2oec h LYS 1013N 2.51 0.51 -0.43 3.99 1.63 -1.95 -0.85 116.57 121.97 2oec h LYS 1013Ca -0.41 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 2oec h LYS 1013Cb 1.24 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 2oec h LYS 1013CO 0.57 0.34 0.08 -0.97 -3.45 0.00 0.00 179.45 176.02 2oec h ASN 1014N 0.52 0.61 0.13 4.20 -1.24 -1.95 -2.80 115.58 115.05 2oec h ASN 1014Ca 0.61 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.51 2oec h ASN 1014Cb 1.31 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 2oec h ASN 1014CO -0.38 0.62 -0.07 0.44 -1.29 0.00 0.00 177.43 176.74 2oec h ASP 1015N 0.64 0.00 1.32 1.15 3.32 -1.55 -2.80 116.42 118.50 2oec h ASP 1015Ca 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 2oec h ASP 1015Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2oec h ASP 1015CO 0.00 0.07 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.04 2oec h LEU 1016N 0.00 0.00 -1.43 1.55 4.07 -1.56 -3.47 115.31 114.47 2oec h LEU 1016Ca -0.00 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.63 2oec h LEU 1016Cb 0.16 0.00 0.15 0.00 1.08 0.00 0.00 40.66 42.05 2oec h LEU 1016CO 0.01 0.48 -0.70 0.00 -1.08 0.00 0.00 178.44 177.16 2oec n GLN 1017N -3.30 -6.60 -1.29 1.13 1.13 -1.06 -1.86 117.38 105.55 2oec n GLN 1017Ca 0.01 0.79 -0.10 0.00 -1.94 0.00 0.00 57.00 55.77 2oec n GLN 1017Cb 0.68 -5.66 -0.04 0.00 0.11 0.00 0.00 30.24 25.33 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 -1.36 1.01 3.76 1.08 0.00 -1.26 -4.58 105.19 103.84 2oec n GLY 1018Ca -0.19 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2oec n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oec n ALA 1019N 1.18 2.27 -0.01 4.61 0.00 -0.78 -4.88 120.51 122.90 2oec n ALA 1019Ca -0.10 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2oec n ALA 1019Cb 0.50 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2oec n ALA 1019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2oec n GLN 1020N 0.93 4.94 -4.51 0.00 6.02 -1.26 -4.32 117.38 119.18 2oec n GLN 1020Ca 0.04 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.70 2oec n GLN 1020Cb 0.38 -0.41 -0.12 0.00 1.02 0.00 0.00 30.24 31.11 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 -1.42 2.65 -0.02 1.08 0.20 -1.26 -0.72 118.68 119.18 2oec s LEU 1021Ca 0.00 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.36 2oec s LEU 1021Cb 0.00 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.24 2oec s LEU 1021CO 0.00 0.22 -0.05 0.00 -0.29 0.00 0.00 176.35 176.23 2oec s ALA 1022N -1.01 0.56 -0.26 5.97 0.00 0.30 -1.77 121.76 125.54 2oec s ALA 1022Ca 0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 2oec s ALA 1022Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2oec s ALA 1022CO 0.07 0.07 0.15 0.42 0.00 0.00 0.00 175.76 176.46 2oec s ILE 1023N 0.33 5.02 -0.61 0.00 1.01 -0.19 -0.45 121.20 126.30 2oec s ILE 1023Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.70 2oec s ILE 1023Cb -0.08 -3.37 0.15 0.00 0.01 0.00 0.00 42.46 39.18 2oec s ILE 1023CO -0.00 0.30 0.39 0.68 0.00 0.00 0.00 174.94 176.30 2oec s VAL 1024N 1.57 3.01 0.96 2.92 -7.23 -0.05 -1.74 120.40 119.84 2oec s VAL 1024Ca 0.07 -3.51 -0.13 0.00 -1.81 0.00 0.00 61.98 56.60 2oec s VAL 1024Cb -0.15 -3.01 0.17 0.00 0.56 0.00 0.00 36.38 33.94 2oec s VAL 1024CO 0.08 -0.88 1.13 -2.16 -0.31 0.00 0.00 175.10 172.95 2oec s PRO 1025N -0.59 0.73 -0.16 4.82 0.04 -1.24 -3.84 135.00 134.76 2oec s PRO 1025Ca 0.19 0.30 -0.09 0.00 0.04 0.00 0.00 61.00 61.44 2oec s PRO 1025Cb -0.19 -1.79 -0.23 0.00 0.04 0.00 0.00 34.50 32.33 2oec s PRO 1025CO -0.05 -2.48 0.25 0.41 0.04 0.00 0.00 177.00 175.17 2oec n GLY 1026N -1.84 -0.59 3.66 0.56 0.00 -1.26 -0.35 105.19 105.37 2oec n GLY 1026Ca 0.07 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2oec n GLY 1026CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oec s ASP 1027N -6.98 7.08 0.56 1.61 -1.08 -1.26 -1.31 116.67 115.28 2oec s ASP 1027Ca -0.25 1.45 0.26 0.00 -0.52 0.00 0.00 52.55 53.48 2oec s ASP 1027Cb 0.07 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.48 2oec s ASP 1027CO 0.71 -0.67 2.05 -0.65 0.52 0.00 0.00 175.17 177.13 2oec h PRO 1028N 7.57 0.00 0.00 4.34 0.11 -1.90 -1.23 132.00 140.90 2oec h PRO 1028Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2oec h PRO 1028Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2oec h PRO 1028CO 0.97 0.00 -0.06 0.39 -0.21 0.00 0.00 178.00 179.09 2oec n GLU 1029N -4.12 0.24 0.04 1.05 1.02 -1.26 -2.92 120.64 114.69 2oec n GLU 1029Ca 0.05 0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 2oec n GLU 1029Cb 0.43 -1.76 0.22 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.17 0.20 0.22 3.49 5.12 -0.47 -4.22 116.66 118.83 2oec n ARG 1030Ca 0.06 0.06 -0.15 0.00 -1.93 0.00 0.00 57.85 55.89 2oec n ARG 1030Cb 0.42 -1.63 -0.08 0.00 -1.16 0.00 0.00 32.46 30.01 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 0.00 0.64 -0.65 1.55 2.07 -1.53 -2.58 116.25 115.76 2oec h VAL 1031Ca 0.00 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 2oec h VAL 1031Cb 0.67 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 2oec h VAL 1031CO 0.00 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 177.36 2oec h GLU 1032N -0.49 0.01 0.43 1.57 4.81 -1.76 -1.80 114.58 117.35 2oec h GLU 1032Ca -0.05 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2oec h GLU 1032Cb 0.38 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2oec h GLU 1032CO 0.08 0.01 -0.21 0.87 -0.73 0.00 0.00 179.01 179.03 2oec h LYS 1033N 0.01 -0.55 -0.75 1.92 1.79 -1.74 -1.53 116.57 115.72 2oec h LYS 1033Ca 0.32 0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.96 2oec h LYS 1033Cb 0.49 0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.18 2oec h LYS 1033CO -0.66 -0.32 0.33 0.82 -1.08 0.00 0.00 179.45 178.53 2oec h ILE 1034N -0.66 0.71 0.00 1.86 2.04 -1.15 -1.17 117.51 119.14 2oec h ILE 1034Ca -0.06 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 2oec h ILE 1034Cb 0.49 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2oec h ILE 1034CO 0.10 0.09 -0.40 0.00 0.00 0.00 0.00 178.15 177.93 2oec h ALA 1035N 1.52 1.33 0.00 1.87 0.00 -1.14 -2.29 119.26 120.54 2oec h ALA 1035Ca 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2oec h ALA 1035Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2oec h ALA 1035CO -0.37 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2oec n ALA 1036N -2.46 1.99 1.37 0.00 0.00 -0.46 -2.21 120.51 118.74 2oec n ALA 1036Ca -0.02 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.49 2oec n ALA 1036Cb 0.43 -1.34 0.68 0.00 0.00 0.00 0.00 19.45 19.22 2oec n ALA 1036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2oec n LEU 1037N -1.47 0.18 -4.69 0.00 4.77 -0.86 -4.87 117.00 110.05 2oec n LEU 1037Ca 0.06 0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.93 2oec n LEU 1037Cb 0.23 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 2oec n LEU 1037CO 0.19 0.03 -0.24 -0.04 -1.33 0.00 0.00 177.39 176.00 2oec s MET 1038N -2.59 2.11 0.35 3.23 -1.94 -0.94 -5.13 119.30 114.39 2oec s MET 1038Ca 0.27 -2.33 -0.25 0.00 -1.71 0.00 0.00 55.69 51.67 2oec s MET 1038Cb 0.20 -1.30 -0.10 0.00 2.01 0.00 0.00 34.83 35.64 2oec s MET 1038CO 0.48 -0.37 0.99 -0.51 -0.01 0.00 0.00 175.02 175.60 2oec s ASP 1039N -3.80 7.12 -1.30 3.03 1.01 -0.57 -4.24 116.67 117.92 2oec s ASP 1039Ca 0.12 1.91 -0.00 0.00 0.71 0.00 0.00 52.55 55.29 2oec s ASP 1039Cb 0.02 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2oec s ASP 1039CO 0.07 -0.23 0.74 0.29 0.21 0.00 0.00 175.17 176.25 2oec n LYS 1040N 0.30 -5.15 -1.86 8.23 4.76 -1.26 -0.02 118.16 123.16 2oec n LYS 1040Ca 0.03 0.65 -0.42 0.00 -2.87 0.00 0.00 58.31 55.70 2oec n LYS 1040Cb 0.50 -5.27 -0.02 0.00 -1.84 0.00 0.00 35.03 28.39 2oec n LYS 1040CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2oec s PRO 1041N -5.91 4.18 -0.05 1.97 0.02 -1.26 -4.46 135.00 129.48 2oec s PRO 1041Ca 0.02 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.49 2oec s PRO 1041Cb -0.01 -3.09 0.04 0.00 0.02 0.00 0.00 34.50 31.46 2oec s PRO 1041CO 0.80 -0.62 0.11 0.08 -0.33 0.00 0.00 177.00 177.04 2oec s VAL 1042N 0.64 -0.07 0.16 3.83 1.01 -0.29 -5.02 120.40 120.66 2oec s VAL 1042Ca 0.67 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 2oec s VAL 1042Cb -0.46 -0.19 -0.07 0.00 0.00 0.00 0.00 36.38 35.66 2oec s VAL 1042CO 0.38 0.09 1.10 -0.75 0.00 0.00 0.00 175.10 175.91 2oec s LYS 1043N 1.23 4.58 -0.22 2.72 2.20 -1.26 -0.58 119.74 128.41 2oec s LYS 1043Ca -0.08 1.70 -0.09 0.00 -0.36 0.00 0.00 55.97 57.14 2oec s LYS 1043Cb -0.12 -3.30 -0.10 0.00 -1.51 0.00 0.00 37.83 32.80 2oec s LYS 1043CO -0.05 0.05 -0.27 1.28 -0.36 0.00 0.00 175.35 176.00 2oec n LEU 1044N 2.60 1.85 -3.64 5.43 4.77 0.08 -4.89 117.00 123.20 2oec n LEU 1044Ca 0.03 0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 56.18 2oec n LEU 1044Cb 0.46 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2oec n LEU 1044CO 0.54 0.54 0.89 0.00 -1.33 0.00 0.00 177.39 178.02 2oec s ALA 1045N -2.41 -1.96 -0.27 -1.18 0.00 -1.02 -5.00 121.76 109.91 2oec s ALA 1045Ca -0.31 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 2oec s ALA 1045Cb 0.11 0.37 0.16 0.00 0.00 0.00 0.00 23.12 23.77 2oec s ALA 1045CO 0.41 -0.91 0.47 0.45 0.00 0.00 0.00 175.76 176.18 2oec s SER 1046N -2.75 -0.41 -0.03 0.00 0.15 -1.26 -0.74 113.70 108.67 2oec s SER 1046Ca 0.11 0.34 0.02 0.00 0.70 0.00 0.00 55.95 57.12 2oec s SER 1046Cb 0.01 1.52 0.01 0.00 -1.71 0.00 0.00 66.02 65.86 2oec s SER 1046CO -0.03 -0.30 -0.06 -1.00 1.20 0.00 0.00 173.24 173.06 2oec s HIS 1047N 2.67 0.69 0.00 3.44 3.76 0.02 -4.98 115.29 120.90 2oec s HIS 1047Ca 0.15 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 2oec s HIS 1047Cb -0.14 -0.55 0.00 0.00 1.11 0.00 0.00 32.58 32.99 2oec s HIS 1047CO -0.20 -0.11 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 2oec n ARG 1048N 3.57 0.00 -0.21 1.40 1.74 -1.26 -0.15 116.66 121.75 2oec n ARG 1048Ca -0.21 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.92 2oec n ARG 1048Cb 0.53 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 32.13 2oec n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2oec n GLU 1049N 14.00 1.94 -3.52 5.56 0.00 -1.26 -4.75 120.64 132.61 2oec n GLU 1049Ca 0.00 -1.25 -0.42 0.00 0.00 0.00 0.00 57.16 55.49 2oec n GLU 1049Cb 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 31.44 30.01 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 -1.59 3.41 -0.18 -1.84 0.08 0.78 -3.99 117.98 114.65 2oec s PHE 1050Ca 0.23 -1.80 -0.06 0.00 0.12 0.00 0.00 56.93 55.42 2oec s PHE 1050Cb 0.13 -3.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 2oec s PHE 1050CO 0.14 -1.00 0.02 0.99 -0.10 0.00 0.00 175.22 175.27 2oec s THR 1051N 1.37 4.27 -0.05 0.64 2.01 -1.26 -0.80 115.64 121.81 2oec s THR 1051Ca 0.06 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 61.89 2oec s THR 1051Cb -0.27 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 2oec s THR 1051CO -0.00 0.45 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.23 2oec s SER 1052N 0.63 2.61 0.11 3.53 1.04 0.09 -1.88 113.70 119.84 2oec s SER 1052Ca 0.01 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.08 2oec s SER 1052Cb -0.14 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.23 2oec s SER 1052CO 0.02 0.20 -0.19 0.26 0.98 0.00 0.00 173.24 174.51 2oec s TRP 1053N -0.07 1.72 0.12 5.02 0.52 0.98 -0.74 118.94 126.49 2oec s TRP 1053Ca -0.03 -0.44 0.06 0.00 0.02 0.00 0.00 56.10 55.70 2oec s TRP 1053Cb -0.13 -0.92 -0.04 0.00 -1.15 0.00 0.00 33.47 31.23 2oec s TRP 1053CO 0.03 0.22 0.01 0.50 0.02 0.00 0.00 176.95 177.72 2oec s ARG 1054N -2.14 2.51 0.35 4.98 3.52 0.25 -0.36 118.95 128.07 2oec s ARG 1054Ca 0.08 -0.93 -0.08 0.00 -0.13 0.00 0.00 55.73 54.67 2oec s ARG 1054Cb -0.09 -2.48 0.02 0.00 -1.56 0.00 0.00 34.95 30.84 2oec s ARG 1054CO 0.05 0.51 0.59 0.00 -0.81 0.00 0.00 175.30 175.63 2oec s ALA 1055N -1.47 0.14 -0.07 6.12 0.00 0.70 -1.14 121.76 126.04 2oec s ALA 1055Ca 0.26 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2oec s ALA 1055Cb -0.11 0.98 0.01 0.00 0.00 0.00 0.00 23.12 23.99 2oec s ALA 1055CO 0.19 -0.87 -0.15 -2.00 0.00 0.00 0.00 175.76 172.93 2oec s GLU 1056N -2.87 1.94 -0.19 0.00 2.12 0.97 0.04 118.70 120.71 2oec s GLU 1056Ca 0.24 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2oec s GLU 1056Cb -0.02 -1.58 0.04 0.00 0.26 0.00 0.00 34.13 32.83 2oec s GLU 1056CO 0.16 0.10 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.73 2oec s LEU 1057N 0.48 2.12 -1.54 2.70 2.96 0.50 -1.51 118.68 124.38 2oec s LEU 1057Ca -0.13 -0.86 -0.14 0.00 -0.22 0.00 0.00 54.13 52.78 2oec s LEU 1057Cb -0.15 -1.14 0.10 0.00 0.50 0.00 0.00 46.19 45.50 2oec s LEU 1057CO 0.04 -0.17 0.88 0.47 -1.32 0.00 0.00 176.35 176.26 2oec n ASP 1058N 4.74 -4.45 -0.14 3.68 8.00 -1.26 -0.84 116.55 126.27 2oec n ASP 1058Ca -0.14 -0.77 -0.02 0.00 0.71 0.00 0.00 54.79 54.58 2oec n ASP 1058Cb 0.47 -3.58 -0.01 0.00 -0.02 0.00 0.00 41.12 37.98 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 0.54 3.21 0.44 0.00 -1.26 -5.02 105.19 101.53 2oec n GLY 1059Ca 0.04 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.36 3.08 0.28 1.61 -0.14 -0.02 -5.09 119.74 118.11 2oec s LYS 1060Ca 0.00 -0.83 -0.30 0.00 -1.36 0.00 0.00 55.97 53.48 2oec s LYS 1060Cb 0.00 -2.45 -0.12 0.00 -1.68 0.00 0.00 37.83 33.57 2oec s LYS 1060CO 0.00 0.04 1.54 0.00 -0.76 0.00 0.00 175.35 176.17 2oec n ALA 1061N 3.93 2.16 -2.84 5.17 0.00 -1.26 -0.37 120.51 127.30 2oec n ALA 1061Ca -0.20 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 2oec n ALA 1061Cb 0.52 -2.41 -0.13 0.00 0.00 0.00 0.00 19.45 17.43 2oec n ALA 1061CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oec s VAL 1062N -0.06 0.40 0.02 0.00 1.01 0.11 -4.13 120.40 117.74 2oec s VAL 1062Ca 0.65 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2oec s VAL 1062Cb -0.54 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2oec s VAL 1062CO 0.49 -0.20 0.06 -0.63 0.00 0.00 0.00 175.10 174.82 2oec s ILE 1063N -0.86 4.51 -0.09 2.22 -1.09 -0.73 -0.22 121.20 124.95 2oec s ILE 1063Ca -0.06 -0.57 0.03 0.00 -2.23 0.00 0.00 60.65 57.83 2oec s ILE 1063Cb -0.07 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 2oec s ILE 1063CO -0.00 0.29 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.12 2oec s VAL 1064N -1.22 1.71 -0.16 2.92 1.01 0.52 -1.03 120.40 124.15 2oec s VAL 1064Ca 0.24 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2oec s VAL 1064Cb -0.12 -1.50 0.07 0.00 0.00 0.00 0.00 36.38 34.84 2oec s VAL 1064CO 0.15 0.48 0.34 0.00 0.00 0.00 0.00 175.10 176.08 2oec s SER 1066N 2.13 5.73 -0.05 0.00 1.04 -0.79 -3.68 113.70 118.09 2oec s SER 1066Ca -0.03 2.15 0.17 0.00 0.48 0.00 0.00 55.95 58.72 2oec s SER 1066Cb -0.11 -2.58 -0.26 0.00 0.10 0.00 0.00 66.02 63.17 2oec s SER 1066CO -0.11 -1.21 0.33 0.35 0.98 0.00 0.00 173.24 173.58 2oec n THR 1067N -1.34 0.22 -0.17 2.02 -2.24 0.53 -4.51 114.28 108.80 2oec n THR 1067Ca 0.11 -0.47 0.02 0.00 -2.27 0.00 0.00 64.05 61.45 2oec n THR 1067Cb 0.51 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.58 -1.48 3.67 3.38 0.00 -0.43 -3.38 105.19 108.53 2oec n GLY 1068Ca -0.08 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.35 4.78 0.00 -0.61 1.01 -1.26 -4.69 121.20 119.09 2oec s ILE 1069Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 60.65 62.57 2oec s ILE 1069Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2oec s ILE 1069CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.51 2oec n GLY 1070N 3.26 2.28 0.16 6.18 0.00 -1.24 -4.72 105.19 111.11 2oec n GLY 1070Ca 0.08 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 0.50 0.28 -0.02 0.00 -1.85 -2.61 103.07 99.37 2oec h GLY 1071Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.15 2oec h GLY 1071CO 0.00 0.21 -0.30 -2.55 0.00 0.00 0.00 176.54 173.90 2oec h PRO 1072N 0.44 -0.41 0.00 4.80 0.11 -1.94 0.33 132.00 135.33 2oec h PRO 1072Ca 0.12 0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 2oec h PRO 1072Cb 0.02 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2oec h PRO 1072CO -0.02 -0.27 -0.44 0.66 -0.21 0.00 0.00 178.00 177.71 2oec h SER 1073N -0.42 0.00 -0.45 -2.05 4.64 -1.81 -2.45 113.55 111.01 2oec h SER 1073Ca 0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 2oec h SER 1073Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 2oec h SER 1073CO -0.29 0.44 0.15 0.74 -0.87 0.00 0.00 176.83 177.00 2oec h THR 1074N 0.00 1.22 0.00 2.95 2.02 -1.01 -2.33 112.91 115.76 2oec h THR 1074Ca -0.00 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 2oec h THR 1074Cb 0.96 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2oec h THR 1074CO 0.06 0.26 -0.31 0.77 0.37 0.00 0.00 175.52 176.66 2oec h SER 1075N 0.58 0.00 0.00 4.18 4.64 0.09 -0.91 113.55 122.13 2oec h SER 1075Ca 0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2oec h SER 1075Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2oec h SER 1075CO -0.01 0.31 -0.00 0.40 -0.87 0.00 0.00 176.83 176.67 2oec h ILE 1076N 0.00 1.33 -0.25 0.95 2.04 -1.35 -2.49 117.51 117.74 2oec h ILE 1076Ca -0.00 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 64.92 2oec h ILE 1076Cb 0.56 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2oec h ILE 1076CO 0.04 0.25 0.10 0.00 0.00 0.00 0.00 178.15 178.54 2oec h ALA 1077N 0.59 0.29 -0.09 1.87 0.00 -0.80 -1.69 119.26 119.43 2oec h ALA 1077Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2oec h ALA 1077Cb 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2oec h ALA 1077CO 0.00 -0.31 0.02 0.28 0.00 0.00 0.00 179.25 179.25 2oec h VAL 1078N 0.23 1.19 -0.21 0.00 2.07 -1.29 -2.00 116.25 116.23 2oec h VAL 1078Ca 0.11 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2oec h VAL 1078Cb 0.06 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2oec h VAL 1078CO -0.09 0.16 -0.09 -0.08 0.02 0.00 0.00 177.57 177.49 2oec h GLU 1079N -0.06 -0.05 0.00 1.57 4.57 -1.22 0.12 114.58 119.50 2oec h GLU 1079Ca 0.03 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 2oec h GLU 1079Cb 0.23 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2oec h GLU 1079CO -0.00 -0.03 -0.44 0.93 -1.18 0.00 0.00 179.01 178.28 2oec h GLU 1080N -0.05 0.00 -0.16 1.92 5.08 -1.31 -0.45 114.58 119.61 2oec h GLU 1080Ca 0.11 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 2oec h GLU 1080Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2oec h GLU 1080CO -0.25 0.44 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.41 2oec h LEU 1081N 0.00 0.85 -1.03 1.33 3.38 -0.93 -2.61 115.31 116.30 2oec h LEU 1081Ca -0.00 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 2oec h LEU 1081Cb 0.94 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2oec h LEU 1081CO 0.06 1.32 -0.06 0.00 0.09 0.00 0.00 178.44 179.85 2oec h ALA 1082N 0.67 1.20 0.00 1.53 0.00 -0.44 -0.63 119.26 121.59 2oec h ALA 1082Ca -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2oec h ALA 1082Cb 1.34 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2oec h ALA 1082CO 0.15 0.52 -0.09 1.96 0.00 0.00 0.00 179.25 181.79 2oec h GLN 1083N 0.59 0.00 -0.01 0.00 4.20 -1.02 -2.11 115.11 116.75 2oec h GLN 1083Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2oec h GLN 1083Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2oec h GLN 1083CO 0.02 0.09 -0.14 1.28 -0.67 0.00 0.00 178.83 179.41 2oec n LEU 1084N -4.32 1.46 0.00 1.46 4.32 -0.51 -4.94 117.00 114.47 2oec n LEU 1084Ca -0.03 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.50 2oec n LEU 1084Cb 0.17 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 2oec n LEU 1084CO 0.34 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 2oec n GLY 1085N 1.27 1.07 3.72 -0.72 0.00 -0.73 -4.81 105.19 104.99 2oec n GLY 1085Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 3.19 -0.01 -0.61 -1.09 -0.36 -4.62 121.20 115.71 2oec s ILE 1086Ca 0.00 0.89 0.02 0.00 -2.23 0.00 0.00 60.65 59.33 2oec s ILE 1086Cb 0.00 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 2oec s ILE 1086CO 0.00 0.08 0.05 0.54 -1.23 0.00 0.00 174.94 174.39 2oec n ARG 1087N 3.62 0.78 -5.18 2.79 5.12 0.10 -4.10 116.66 119.79 2oec n ARG 1087Ca 0.10 -0.02 -0.31 0.00 -1.93 0.00 0.00 57.85 55.70 2oec n ARG 1087Cb 0.42 -1.00 -0.17 0.00 -1.16 0.00 0.00 32.46 30.56 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 -2.04 1.94 -0.09 0.55 2.01 -1.00 -0.75 115.64 116.27 2oec s THR 1088Ca -0.01 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.01 2oec s THR 1088Cb 0.01 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.89 2oec s THR 1088CO 0.09 0.54 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.10 2oec s PHE 1089N 0.01 1.40 -0.25 4.92 0.40 0.11 -0.54 117.98 124.03 2oec s PHE 1089Ca -0.08 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 2oec s PHE 1089Cb -0.15 -1.11 0.04 0.00 0.51 0.00 0.00 43.02 42.32 2oec s PHE 1089CO 0.05 -0.38 -0.10 -0.51 0.70 0.00 0.00 175.22 174.97 2oec s LEU 1090N 1.19 3.22 -0.02 -0.37 1.43 0.41 -1.32 118.68 123.22 2oec s LEU 1090Ca -0.05 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.72 2oec s LEU 1090Cb -0.14 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2oec s LEU 1090CO -0.02 -0.15 0.57 -0.60 0.23 0.00 0.00 176.35 176.37 2oec s ARG 1091N 1.20 4.29 -0.08 1.70 3.52 -0.56 -0.87 118.95 128.16 2oec s ARG 1091Ca -0.04 0.67 0.04 0.00 -0.13 0.00 0.00 55.73 56.28 2oec s ARG 1091Cb -0.18 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.86 2oec s ARG 1091CO -0.06 0.36 -0.21 -1.50 -0.81 0.00 0.00 175.30 173.08 2oec s ILE 1092N -0.13 1.81 0.00 4.11 -1.16 -1.25 -1.14 121.20 123.44 2oec s ILE 1092Ca 0.30 -0.90 0.00 0.00 -0.51 0.00 0.00 60.65 59.54 2oec s ILE 1092Cb -0.18 -1.57 0.00 0.00 0.61 0.00 0.00 42.46 41.33 2oec s ILE 1092CO 0.16 0.51 0.00 0.61 -2.81 0.00 0.00 174.94 173.41 2oec n GLY 1093N 3.39 2.83 3.49 1.50 0.00 -0.85 -4.28 105.19 111.28 2oec n GLY 1093Ca -0.19 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2oec n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oec s THR 1094N -2.60 2.76 0.04 2.61 -4.23 -1.26 -1.59 115.64 111.37 2oec s THR 1094Ca 0.00 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 2oec s THR 1094Cb 0.00 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.55 2oec s THR 1094CO 0.00 -0.01 0.25 0.28 -0.54 0.00 0.00 174.62 174.59 2oec s THR 1095N -1.42 0.09 -0.37 3.99 -1.32 -0.59 -4.88 115.64 111.14 2oec s THR 1095Ca 0.20 -0.76 -0.13 0.00 -1.21 0.00 0.00 61.69 59.79 2oec s THR 1095Cb -0.09 -0.88 -0.00 0.00 -1.51 0.00 0.00 72.50 70.02 2oec s THR 1095CO 0.11 -0.42 0.26 -0.83 -2.21 0.00 0.00 174.62 171.53 2oec s GLY 1096N -1.98 1.97 0.64 6.08 0.00 -1.25 -0.63 107.32 112.15 2oec s GLY 1096Ca -0.06 -1.52 -0.17 0.00 0.00 0.00 0.00 44.72 42.96 2oec s GLY 1096CO -0.03 0.83 1.20 0.00 0.00 0.00 0.00 173.10 175.10 2oec s ALA 1097N 1.69 2.42 0.00 3.20 0.00 -0.13 -2.88 121.76 126.06 2oec s ALA 1097Ca 0.05 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2oec s ALA 1097Cb -0.18 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2oec s ALA 1097CO 0.10 -1.38 0.48 0.44 0.00 0.00 0.00 175.76 175.40 2oec n ILE 1098N -2.00 0.22 -3.71 0.00 -5.35 0.04 -1.06 119.36 107.50 2oec n ILE 1098Ca 0.13 -0.40 -0.35 0.00 -0.27 0.00 0.00 62.75 61.86 2oec n ILE 1098Cb 0.50 1.15 -0.08 0.00 -1.74 0.00 0.00 39.64 39.46 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 -0.22 4.17 0.47 6.28 -1.52 -1.23 -4.82 119.66 122.78 2oec s GLN 1099Ca 0.00 -0.22 0.21 0.00 -1.95 0.00 0.00 55.36 53.40 2oec s GLN 1099Cb 0.00 -3.45 1.21 0.00 -0.22 0.00 0.00 33.01 30.55 2oec s GLN 1099CO 0.00 0.25 1.92 -1.00 -0.25 0.00 0.00 175.29 176.20 2oec h PRO 1100N 6.85 0.25 -0.00 2.91 0.13 -1.94 -1.73 132.00 138.47 2oec h PRO 1100Ca -0.40 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2oec h PRO 1100Cb 1.15 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2oec h PRO 1100CO 0.74 0.16 -0.02 -2.39 -0.23 0.00 0.00 178.00 176.26 2oec n HIS 1101N -4.43 0.00 -3.47 1.56 1.44 -1.26 -4.66 115.22 104.40 2oec n HIS 1101Ca 0.15 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.43 2oec n HIS 1101Cb 0.65 -0.13 -0.09 0.00 0.12 0.00 0.00 29.99 30.54 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 -2.29 4.97 0.25 0.61 1.01 -0.65 -5.07 121.20 120.04 2oec s ILE 1102Ca 0.37 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.77 2oec s ILE 1102Cb 0.21 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 2oec s ILE 1102CO 0.42 -0.46 0.84 0.20 0.00 0.00 0.00 174.94 175.93 2oec s ASN 1103N 2.18 7.28 0.15 3.58 0.02 -1.26 -4.87 114.94 122.02 2oec s ASN 1103Ca 0.04 1.67 -0.33 0.00 -1.02 0.00 0.00 52.86 53.22 2oec s ASN 1103Cb -0.22 -2.51 -0.12 0.00 0.02 0.00 0.00 41.25 38.41 2oec s ASN 1103CO 0.07 0.04 1.72 0.55 0.02 0.00 0.00 177.10 179.50 2oec n VAL 1104N 0.90 0.15 0.00 1.60 3.14 -1.26 -1.16 118.33 121.70 2oec n VAL 1104Ca -0.01 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2oec n VAL 1104Cb 0.50 -1.88 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 2oec n VAL 1104CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2oec n GLY 1105N 3.91 0.74 3.85 7.55 0.00 -0.23 -4.99 105.19 116.02 2oec n GLY 1105Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.86 5.30 -0.14 1.61 1.01 -0.31 -4.77 116.67 117.51 2oec s ASP 1106Ca 0.00 1.30 0.00 0.00 0.71 0.00 0.00 52.55 54.57 2oec s ASP 1106Cb 0.00 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 2oec s ASP 1106CO 0.00 -1.45 -0.14 -0.69 0.21 0.00 0.00 175.17 173.10 2oec s VAL 1107N -3.22 2.87 -0.18 -1.27 1.01 -0.66 -1.03 120.40 117.91 2oec s VAL 1107Ca 0.58 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2oec s VAL 1107Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2oec s VAL 1107CO 0.53 0.52 -0.03 -0.76 0.00 0.00 0.00 175.10 175.36 2oec s LEU 1108N 0.54 3.19 -0.18 3.92 1.43 0.16 -0.52 118.68 127.22 2oec s LEU 1108Ca -0.09 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2oec s LEU 1108Cb -0.16 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2oec s LEU 1108CO 0.04 0.11 -0.00 -0.69 0.23 0.00 0.00 176.35 176.04 2oec s VAL 1109N 0.69 4.10 -0.32 -1.59 1.01 0.15 -1.52 120.40 122.92 2oec s VAL 1109Ca -0.02 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 2oec s VAL 1109Cb -0.14 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2oec s VAL 1109CO 0.02 0.46 0.29 -0.89 0.00 0.00 0.00 175.10 174.99 2oec s THR 1110N 0.61 5.23 -0.04 3.92 2.01 -0.96 -1.95 115.64 124.47 2oec s THR 1110Ca -0.01 0.03 0.12 0.00 0.31 0.00 0.00 61.69 62.14 2oec s THR 1110Cb -0.14 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 2oec s THR 1110CO 0.02 0.02 1.30 0.71 -0.69 0.00 0.00 174.62 175.98 2oec h THR 1111N 5.48 1.19 -1.79 -0.82 1.35 -1.52 -3.41 112.91 113.39 2oec h THR 1111Ca -0.31 -2.73 0.19 0.00 -0.55 0.00 0.00 66.41 63.01 2oec h THR 1111Cb 1.16 2.57 -0.18 0.00 -1.73 0.00 0.00 68.15 69.98 2oec h THR 1111CO 0.64 0.68 0.68 0.00 -0.25 0.00 0.00 175.52 177.27 2oec s ALA 1112N -2.84 -1.97 0.04 6.62 0.00 -1.25 -0.66 121.76 121.70 2oec s ALA 1112Ca 0.02 1.37 0.07 0.00 0.00 0.00 0.00 51.96 53.43 2oec s ALA 1112Cb 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2oec s ALA 1112CO 0.78 -0.62 -0.21 -1.12 0.00 0.00 0.00 175.76 174.59 2oec s SER 1113N -2.25 2.55 0.01 0.00 0.01 -0.49 -1.83 113.70 111.70 2oec s SER 1113Ca 0.07 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 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 -0.06 0.18 1.42 -0.69 0.41 0.00 0.00 173.24 174.50 2oec s VAL 1114N -0.77 3.62 -1.23 3.43 1.01 0.12 -4.42 120.40 122.16 2oec s VAL 1114Ca 0.08 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.93 2oec s VAL 1114Cb -0.09 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.77 2oec s VAL 1114CO 0.02 0.00 1.52 -0.13 0.00 0.00 0.00 175.10 176.51 2oec s ARG 1115N 2.34 4.04 -0.37 2.72 0.52 -1.26 -1.24 118.95 125.71 2oec s ARG 1115Ca 0.65 -2.37 0.04 0.00 -0.52 0.00 0.00 55.73 53.53 2oec s ARG 1115Cb -0.32 -5.21 0.58 0.00 0.52 0.00 0.00 34.95 30.51 2oec s ARG 1115CO 0.27 -1.92 1.77 1.28 0.02 0.00 0.00 175.30 176.71 2oec n LEU 1116N 6.56 6.10 0.00 2.53 4.77 -0.07 -4.91 117.00 131.97 2oec n LEU 1116Ca 0.40 -3.24 -0.26 0.00 -0.03 0.00 0.00 56.01 52.88 2oec n LEU 1116Cb 0.44 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2oec n LEU 1116CO 0.67 0.94 -0.11 -0.90 -1.33 0.00 0.00 177.39 176.65 2oec n ASP 1117N -0.80 2.95 -0.02 -1.43 5.75 -1.19 -2.10 116.55 119.72 2oec n ASP 1117Ca 0.49 -2.79 -0.01 0.00 -0.01 0.00 0.00 54.79 52.47 2oec n ASP 1117Cb 1.47 0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 41.71 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 -0.31 -0.22 0.22 6.12 0.00 -1.26 -4.75 105.19 104.99 2oec n GLY 1118Ca -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 0.30 1.22 -0.43 4.61 0.00 -1.98 -2.62 119.26 120.35 2oec h ALA 1119Ca -0.08 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2oec h ALA 1119Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2oec h ALA 1119CO 0.00 0.51 0.28 0.66 0.00 0.00 0.00 179.25 180.71 2oec h SER 1120N 0.29 0.44 0.71 0.00 4.64 -1.85 -0.09 113.55 117.68 2oec h SER 1120Ca 0.04 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2oec h SER 1120Cb 0.64 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2oec h SER 1120CO 0.05 0.31 0.00 -0.07 -0.87 0.00 0.00 176.83 176.24 2oec h LEU 1121N 0.51 0.00 0.00 5.97 3.38 -1.57 -0.91 115.31 122.70 2oec h LEU 1121Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2oec h LEU 1121Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 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 -2.75 0.00 -0.01 1.13 8.25 -0.05 -3.98 115.22 117.81 2oec n HIS 1122Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 2oec n HIS 1122Cb 0.23 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.17 0.00 -3.71 4.41 3.72 -0.44 -5.09 117.46 115.18 2oec n PHE 1123Ca 0.18 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.44 2oec n PHE 1123Cb 0.18 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.03 -0.97 0.88 4.37 0.00 -0.64 -5.01 121.76 118.36 2oec s ALA 1124Ca -0.02 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 2oec s ALA 1124Cb 0.00 0.10 0.12 0.00 0.00 0.00 0.00 23.12 23.35 2oec s ALA 1124CO 0.04 -0.30 1.11 -1.25 0.00 0.00 0.00 175.76 175.35 2oec s PRO 1125N -1.47 1.31 0.57 0.00 0.04 -1.26 -3.84 135.00 130.36 2oec s PRO 1125Ca -0.12 1.21 0.28 0.00 0.04 0.00 0.00 61.00 62.41 2oec s PRO 1125Cb -0.04 -1.79 1.51 0.00 0.04 0.00 0.00 34.50 34.22 2oec s PRO 1125CO 0.04 -2.32 1.99 1.98 0.04 0.00 0.00 177.00 178.73 2oec h MET 1126N -1.62 0.00 0.00 4.56 4.05 -1.93 -0.88 114.93 119.10 2oec h MET 1126Ca -0.46 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.93 2oec h MET 1126Cb 1.26 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2oec h MET 1126CO 0.48 0.00 -0.12 0.93 0.23 0.00 0.00 176.91 178.43 2oec h GLU 1127N 0.00 0.00 -6.65 0.39 3.07 -2.03 -3.43 114.58 105.93 2oec h GLU 1127Ca 0.19 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.53 2oec h GLU 1127Cb 0.94 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.87 2oec h GLU 1127CO -0.00 0.12 0.57 0.12 -1.40 0.00 0.00 179.01 178.42 2oec s PHE 1128N -4.58 3.42 0.04 4.33 2.19 -0.34 -4.98 117.98 118.05 2oec s PHE 1128Ca -0.04 1.39 -0.30 0.00 0.33 0.00 0.00 56.93 58.31 2oec s PHE 1128Cb 0.15 -3.44 -0.05 0.00 -1.31 0.00 0.00 43.02 38.37 2oec s PHE 1128CO 0.65 -1.27 1.10 -1.25 1.83 0.00 0.00 175.22 176.28 2oec s PRO 1129N -0.09 4.50 -1.43 10.12 0.04 -1.26 -4.94 135.00 141.94 2oec s PRO 1129Ca 0.54 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 2oec s PRO 1129Cb -0.33 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 30.85 2oec s PRO 1129CO 0.36 -0.15 2.20 0.00 0.04 0.00 0.00 177.00 179.45 2oec n ALA 1130N 3.86 5.41 -2.79 8.56 0.00 -1.26 -4.72 120.51 129.56 2oec n ALA 1130Ca 0.07 -3.86 -0.35 0.00 0.00 0.00 0.00 53.44 49.30 2oec n ALA 1130Cb 0.48 -3.55 -0.07 0.00 0.00 0.00 0.00 19.45 16.32 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 3.30 4.93 0.47 0.00 0.11 -1.26 -1.40 120.40 126.55 2oec s VAL 1131Ca 0.48 -0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 59.22 2oec s VAL 1131Cb 0.14 -3.16 -0.09 0.00 -1.53 0.00 0.00 36.38 31.74 2oec s VAL 1131CO -0.08 0.54 1.00 0.00 -3.33 0.00 0.00 175.10 173.23 2oec s ALA 1132N -1.03 2.94 0.42 1.54 0.00 0.17 -4.66 121.76 121.13 2oec s ALA 1132Ca 0.17 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.38 2oec s ALA 1132Cb -0.12 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2oec s ALA 1132CO 0.06 -0.15 1.37 0.34 0.00 0.00 0.00 175.76 177.39 2oec s ASP 1133N -2.11 6.13 0.03 0.00 -1.08 0.49 -4.92 116.67 115.21 2oec s ASP 1133Ca 0.65 2.81 -0.23 0.00 -0.52 0.00 0.00 52.55 55.26 2oec s ASP 1133Cb -0.13 -2.65 -0.16 0.00 -1.46 0.00 0.00 42.92 38.52 2oec s ASP 1133CO 0.18 -0.99 1.42 0.15 0.52 0.00 0.00 175.17 176.45 2oec h PHE 1134N 2.57 0.15 -0.46 -5.34 3.57 -1.96 -1.67 116.94 113.81 2oec h PHE 1134Ca -0.50 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.03 2oec h PHE 1134Cb 1.25 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 2oec h PHE 1134CO 0.52 0.45 0.13 0.00 -2.23 0.00 0.00 178.31 177.18 2oec h ALA 1135N 0.68 0.54 -0.39 2.41 0.00 -1.96 0.71 119.26 121.24 2oec h ALA 1135Ca 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2oec h ALA 1135Cb 0.40 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2oec h ALA 1135CO 0.01 -0.27 0.21 0.00 0.00 0.00 0.00 179.25 179.20 2oec h THR 1137N 0.50 1.26 -0.23 0.00 2.02 -1.00 -1.45 112.91 114.02 2oec h THR 1137Ca 0.14 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 2oec h THR 1137Cb 0.07 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2oec h THR 1137CO -0.02 0.39 0.13 0.74 0.37 0.00 0.00 175.52 177.12 2oec h THR 1138N 0.95 1.11 -0.57 3.16 2.02 -0.58 -1.04 112.91 117.97 2oec h THR 1138Ca 0.18 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2oec h THR 1138Cb 0.47 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2oec h THR 1138CO 0.02 0.11 0.36 0.00 0.37 0.00 0.00 175.52 176.38 2oec h ALA 1139N 1.01 0.74 -0.08 6.16 0.00 -0.82 -0.01 119.26 126.25 2oec h ALA 1139Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2oec h ALA 1139Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2oec h ALA 1139CO -0.01 0.10 0.05 -0.07 0.00 0.00 0.00 179.25 179.32 2oec h LEU 1140N 0.72 0.10 -0.37 0.00 3.38 -1.12 0.21 115.31 118.23 2oec h LEU 1140Ca 0.22 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2oec h LEU 1140Cb -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2oec h LEU 1140CO -0.08 0.12 0.20 0.58 0.09 0.00 0.00 178.44 179.35 2oec h VAL 1141N 0.06 1.00 0.00 1.22 2.07 -0.93 -0.92 116.25 118.76 2oec h VAL 1141Ca 0.03 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2oec h VAL 1141Cb 0.04 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2oec h VAL 1141CO -0.01 0.07 -0.35 -0.33 0.02 0.00 0.00 177.57 176.97 2oec h GLU 1142N 0.41 0.00 -0.02 1.57 5.08 -0.86 -2.06 114.58 118.70 2oec h GLU 1142Ca 0.15 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2oec h GLU 1142Cb 0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2oec h GLU 1142CO -0.09 0.35 -0.33 0.00 -1.00 0.00 0.00 179.01 177.94 2oec h ALA 1143N 1.65 0.06 -0.50 3.43 0.00 -0.56 -1.80 119.26 121.53 2oec h ALA 1143Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2oec h ALA 1143Cb 0.77 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2oec h ALA 1143CO 0.05 0.15 0.28 0.00 0.00 0.00 0.00 179.25 179.73 2oec h ALA 1144N 0.31 1.55 -0.09 0.00 0.00 -1.08 -1.74 119.26 118.21 2oec h ALA 1144Ca -0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2oec h ALA 1144Cb 1.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2oec h ALA 1144CO 0.07 0.38 -0.26 -0.22 0.00 0.00 0.00 179.25 179.22 2oec h LYS 1145N 0.70 0.34 0.00 0.00 3.64 -1.41 0.35 116.57 120.19 2oec h LYS 1145Ca 0.18 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2oec h LYS 1145Cb 0.01 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2oec h LYS 1145CO -0.03 0.86 0.00 -1.13 -2.27 0.00 0.00 179.45 176.88 2oec n SER 1146N -4.47 0.47 -0.56 4.20 3.41 -0.68 -0.93 113.62 115.07 2oec n SER 1146Ca -0.08 0.65 0.06 0.00 -0.26 0.00 0.00 58.87 59.25 2oec n SER 1146Cb 0.46 -0.74 0.09 0.00 -0.26 0.00 0.00 64.21 63.75 2oec n SER 1146CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oec n ILE 1147N -2.06 0.28 -1.68 -1.33 3.06 -0.68 -4.99 119.36 111.96 2oec n ILE 1147Ca 0.01 -0.64 -0.07 0.00 -2.50 0.00 0.00 62.75 59.55 2oec n ILE 1147Cb 0.14 1.04 -0.02 0.00 0.54 0.00 0.00 39.64 41.34 2oec n ILE 1147CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2oec n GLY 1148N 0.68 0.49 3.73 4.50 0.00 -0.10 -5.01 105.19 109.48 2oec n GLY 1148Ca 0.09 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.31 3.27 -0.40 4.61 0.00 0.11 -4.98 121.76 122.06 2oec s ALA 1149Ca 0.00 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 2oec s ALA 1149Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2oec s ALA 1149CO 0.00 -0.04 1.90 0.99 0.00 0.00 0.00 175.76 178.62 2oec s THR 1150N 0.17 3.37 -0.11 0.00 2.01 -1.26 -4.56 115.64 115.25 2oec s THR 1150Ca 0.45 0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.75 2oec s THR 1150Cb -0.22 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2oec s THR 1150CO 0.27 -0.46 0.04 -0.89 -0.69 0.00 0.00 174.62 172.89 2oec s THR 1151N 8.02 4.62 -0.10 -0.82 2.01 -1.26 -1.66 115.64 126.45 2oec s THR 1151Ca 0.80 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.70 2oec s THR 1151Cb -0.20 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 2oec s THR 1151CO 0.30 0.58 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.62 2oec s HIS 1152N -0.68 2.66 -0.22 4.92 3.76 0.32 -4.97 115.29 121.08 2oec s HIS 1152Ca 0.11 -0.78 0.02 0.00 -0.15 0.00 0.00 55.06 54.26 2oec s HIS 1152Cb -0.12 -1.74 0.04 0.00 1.11 0.00 0.00 32.58 31.87 2oec s HIS 1152CO 0.02 -0.27 -0.15 0.08 -0.85 0.00 0.00 174.74 173.58 2oec s VAL 1153N 0.20 2.05 0.00 -0.90 1.01 -1.26 -0.67 120.40 120.83 2oec s VAL 1153Ca -0.12 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2oec s VAL 1153Cb -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2oec s VAL 1153CO 0.06 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2oec n GLY 1154N 4.55 1.03 3.85 4.51 0.00 -0.82 -4.96 105.19 113.35 2oec n GLY 1154Ca -0.17 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.51 5.12 -0.05 1.61 1.01 -1.26 -1.23 120.40 125.09 2oec s VAL 1155Ca 0.00 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.73 2oec s VAL 1155Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2oec s VAL 1155CO 0.00 0.55 -0.23 -0.89 0.00 0.00 0.00 175.10 174.53 2oec s THR 1156N -1.11 1.90 -0.33 3.92 2.01 -0.76 -0.90 115.64 120.38 2oec s THR 1156Ca 0.23 -0.99 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 2oec s THR 1156Cb -0.16 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.75 2oec s THR 1156CO 0.12 0.53 0.76 0.00 -0.69 0.00 0.00 174.62 175.34 2oec s ALA 1157N -0.22 3.49 -0.30 7.40 0.00 -0.25 0.13 121.76 132.00 2oec s ALA 1157Ca -0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 2oec s ALA 1157Cb -0.12 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2oec s ALA 1157CO 0.02 -1.28 0.13 0.45 0.00 0.00 0.00 175.76 175.08 2oec s SER 1158N 1.70 5.40 0.02 0.00 0.15 -0.37 -1.90 113.70 118.71 2oec s SER 1158Ca 0.31 -0.54 0.06 0.00 0.70 0.00 0.00 55.95 56.47 2oec s SER 1158Cb -0.14 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 2oec s SER 1158CO 0.14 -0.18 -0.14 -0.55 1.20 0.00 0.00 173.24 173.71 2oec s SER 1159N 1.58 4.08 0.18 5.45 0.15 0.72 -0.90 113.70 124.96 2oec s SER 1159Ca 0.04 -0.32 0.25 0.00 0.70 0.00 0.00 55.95 56.62 2oec s SER 1159Cb -0.17 -0.78 0.91 0.00 -1.71 0.00 0.00 66.02 64.27 2oec s SER 1159CO 0.05 0.27 1.77 0.47 1.20 0.00 0.00 173.24 176.99 2oec n ASP 1160N 1.59 0.61 -4.36 5.45 8.00 -0.89 -4.29 116.55 122.67 2oec n ASP 1160Ca -0.16 0.58 -0.21 0.00 0.71 0.00 0.00 54.79 55.72 2oec n ASP 1160Cb 0.52 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.78 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 -3.13 1.90 -0.01 -3.53 -4.23 -1.26 -5.01 115.64 100.37 2oec s THR 1161Ca 0.09 -2.12 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 2oec s THR 1161Cb 0.12 -2.00 -0.24 0.00 1.34 0.00 0.00 72.50 71.72 2oec s THR 1161CO 0.52 -0.44 0.80 0.15 -0.54 0.00 0.00 174.62 175.11 2oec h PHE 1162N 2.81 0.16 0.00 3.99 3.04 -1.97 -3.39 116.94 121.58 2oec h PHE 1162Ca -0.40 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.43 2oec h PHE 1162Cb 1.22 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.72 2oec h PHE 1162CO 0.72 1.17 0.00 0.66 -2.02 0.00 0.00 178.31 178.84 2oec n TYR 1163N -3.25 0.00 -0.27 0.41 4.02 -1.26 -4.25 117.16 112.56 2oec n TYR 1163Ca -0.15 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.69 2oec n TYR 1163Cb 1.03 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 40.41 2oec n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2oec h PRO 1164N 0.00 1.04 0.00 -0.72 0.13 -1.88 0.92 132.00 131.48 2oec h PRO 1164Ca 0.00 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2oec h PRO 1164Cb 0.00 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 30.93 2oec h PRO 1164CO 0.00 0.77 -0.01 0.78 -0.23 0.00 0.00 178.00 179.32 2oec h GLY 1165N 1.03 0.00 -2.24 1.56 0.00 -1.85 0.17 103.07 101.74 2oec h GLY 1165Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2oec h GLY 1165CO -0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.44 2oec n GLN 1166N -3.13 3.57 -3.88 4.80 6.02 -0.95 -4.96 117.38 118.85 2oec n GLN 1166Ca -0.02 -2.95 -0.33 0.00 -0.01 0.00 0.00 57.00 53.70 2oec n GLN 1166Cb 0.16 -1.98 0.01 0.00 1.02 0.00 0.00 30.24 29.45 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 -0.13 -1.65 -3.66 -1.09 2.13 0.59 -4.93 120.64 111.90 2oec n GLU 1167Ca 0.23 0.34 -0.36 0.00 0.66 0.00 0.00 57.16 58.04 2oec n GLU 1167Cb 0.99 -3.90 -0.08 0.00 0.27 0.00 0.00 31.44 28.73 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 -6.54 4.20 -0.00 5.31 0.52 0.28 -4.98 118.95 117.74 2oec s ARG 1168Ca 0.30 -0.13 0.16 0.00 -0.52 0.00 0.00 55.73 55.54 2oec s ARG 1168Cb -0.13 -3.43 -0.18 0.00 0.52 0.00 0.00 34.95 31.73 2oec s ARG 1168CO 0.90 0.26 0.64 0.66 0.02 0.00 0.00 175.30 177.78 2oec n TYR 1169N 3.62 0.00 -1.52 -0.53 4.02 -1.26 -4.36 117.16 117.13 2oec n TYR 1169Ca -0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.34 2oec n TYR 1169Cb 0.52 -0.03 -0.01 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 -1.42 6.04 -4.01 7.72 -0.08 -1.26 -4.17 116.55 119.37 2oec n ASP 1170Ca 0.02 -2.71 -0.21 0.00 -1.51 0.00 0.00 54.79 50.39 2oec n ASP 1170Cb 0.26 -1.60 -0.09 0.00 2.34 0.00 0.00 41.12 42.03 2oec n ASP 1170CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2oec s THR 1171N 2.78 0.43 0.20 5.18 -4.23 -1.26 -5.01 115.64 113.73 2oec s THR 1171Ca 0.57 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 2oec s THR 1171Cb 0.16 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.64 2oec s THR 1171CO -0.07 0.00 1.74 0.22 -0.54 0.00 0.00 174.62 175.97 2oec h TYR 1172N 2.09 0.36 0.10 3.99 3.20 -1.99 -3.15 116.97 121.57 2oec h TYR 1172Ca -0.34 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.23 2oec h TYR 1172Cb 1.25 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 2oec h TYR 1172CO 1.17 0.10 -1.77 0.66 -1.64 0.00 0.00 178.16 176.68 2oec h SER 1173N 0.39 0.32 0.00 -2.11 4.64 -1.96 -3.48 113.55 111.35 2oec h SER 1173Ca 0.28 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2oec h SER 1173Cb 0.33 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2oec h SER 1173CO -0.29 1.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.81 2oec n GLY 1174N 1.78 0.51 3.45 -0.77 0.00 -1.19 -5.01 105.19 103.96 2oec n GLY 1174Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.37 1.96 -0.00 1.61 1.70 -1.26 -4.90 118.95 117.68 2oec s ARG 1175Ca 0.00 -1.05 0.06 0.00 -0.47 0.00 0.00 55.73 54.27 2oec s ARG 1175Cb 0.00 -2.14 -0.03 0.00 -0.57 0.00 0.00 34.95 32.21 2oec s ARG 1175CO 0.00 0.52 -0.19 0.14 -1.08 0.00 0.00 175.30 174.69 2oec s VAL 1176N -0.97 2.69 0.62 4.99 -7.23 -1.26 -4.96 120.40 114.29 2oec s VAL 1176Ca 0.15 -1.02 -0.19 0.00 -1.81 0.00 0.00 61.98 59.11 2oec s VAL 1176Cb -0.10 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 2oec s VAL 1176CO 0.06 0.48 1.27 0.55 -0.31 0.00 0.00 175.10 177.15 2oec n VAL 1177N 2.01 4.59 -0.38 1.32 3.14 -1.26 -4.62 118.33 123.14 2oec n VAL 1177Ca -0.16 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 60.67 2oec n VAL 1177Cb 0.52 -1.49 -0.01 0.00 -1.06 0.00 0.00 33.84 31.80 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 -1.61 -0.29 -0.19 1.45 0.63 -1.26 -0.65 116.66 114.74 2oec n ARG 1178Ca 0.15 1.46 0.24 0.00 -0.92 0.00 0.00 57.85 58.77 2oec n ARG 1178Cb 0.47 -2.15 0.63 0.00 0.45 0.00 0.00 32.46 31.86 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 0.16 -0.02 -0.14 2.43 -2.02 -1.08 114.38 113.71 2oec h ARG 1179Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2oec h ARG 1179Cb 0.51 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2oec h ARG 1179CO -0.93 0.11 -0.37 1.19 -1.51 0.00 0.00 179.97 178.46 2oec n PHE 1180N -4.38 0.00 -1.96 2.20 3.72 0.17 -4.73 117.46 112.48 2oec n PHE 1180Ca 0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 2oec n PHE 1180Cb 0.82 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.33 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 -2.22 4.19 -0.06 -1.08 1.02 -0.41 -2.49 119.74 118.70 2oec s LYS 1181Ca 0.18 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.44 2oec s LYS 1181Cb 0.17 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2oec s LYS 1181CO 0.48 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 2oec n GLY 1182N 4.08 0.48 0.09 -3.33 0.00 -1.26 -4.94 105.19 100.30 2oec n GLY 1182Ca 0.17 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 0.22 -0.19 1.61 4.64 -1.77 -3.22 113.55 114.83 2oec h SER 1183Ca -0.01 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2oec h SER 1183Cb 0.08 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2oec h SER 1183CO 0.02 1.21 0.09 -0.03 -0.87 0.00 0.00 176.83 177.24 2oec h MET 1184N 0.04 0.28 -0.33 4.77 -1.53 -1.92 -0.65 114.93 115.60 2oec h MET 1184Ca -0.12 -0.04 -0.04 0.00 -3.44 0.00 0.00 59.70 56.05 2oec h MET 1184Cb 1.91 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 32.89 2oec h MET 1184CO 0.16 0.32 0.02 0.93 0.14 0.00 0.00 176.91 178.48 2oec h GLU 1185N 0.18 0.49 0.44 0.39 5.08 -1.98 0.10 114.58 119.28 2oec h GLU 1185Ca 0.07 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2oec h GLU 1185Cb 0.13 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2oec h GLU 1185CO -0.01 0.51 -0.21 0.93 -1.00 0.00 0.00 179.01 179.22 2oec h GLU 1186N 0.48 -0.57 -0.95 2.33 5.08 -1.47 0.62 114.58 120.10 2oec h GLU 1186Ca 0.11 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2oec h GLU 1186Cb 0.28 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 2oec h GLU 1186CO 0.01 -0.38 0.59 -1.49 -1.00 0.00 0.00 179.01 176.74 2oec h TRP 1187N -0.60 1.09 -0.33 4.33 -0.00 -0.77 -1.03 115.95 118.64 2oec h TRP 1187Ca -0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.85 2oec h TRP 1187Cb 0.46 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 29.26 2oec h TRP 1187CO -0.04 0.50 0.15 1.96 -0.00 0.00 0.00 178.44 181.00 2oec h GLN 1188N 1.01 0.48 0.00 0.49 4.20 -0.72 -0.95 115.11 119.62 2oec h GLN 1188Ca 0.44 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 59.06 2oec h GLN 1188Cb 0.31 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2oec h GLN 1188CO -0.22 0.46 -0.05 0.00 -0.67 0.00 0.00 178.83 178.35 2oec h ALA 1189N 1.00 1.11 -0.01 3.87 0.00 -0.24 -1.69 119.26 123.30 2oec h ALA 1189Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2oec h ALA 1189Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2oec h ALA 1189CO -0.01 0.06 -0.25 -1.33 0.00 0.00 0.00 179.25 177.72 2oec n MET 1190N -3.31 0.87 -0.55 0.00 2.81 -0.45 -4.94 117.12 111.57 2oec n MET 1190Ca -0.01 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 2oec n MET 1190Cb 0.20 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 1.33 0.72 3.75 3.03 0.00 -0.64 -5.03 105.19 108.37 2oec n GLY 1191Ca 0.12 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 2.14 0.02 1.61 1.01 -0.46 -4.61 120.40 118.11 2oec s VAL 1192Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 2oec s VAL 1192Cb 0.00 -3.08 -0.32 0.00 0.00 0.00 0.00 36.38 32.98 2oec s VAL 1192CO 0.00 0.02 0.95 0.24 0.00 0.00 0.00 175.10 176.31 2oec h MET 1193N 4.64 0.42 -2.42 2.72 0.00 -1.35 -3.41 114.93 115.53 2oec h MET 1193Ca -0.47 -0.72 0.16 0.00 0.00 0.00 0.00 59.70 58.67 2oec h MET 1193Cb 1.22 0.27 -0.07 0.00 0.00 0.00 0.00 31.60 33.02 2oec h MET 1193CO 0.77 1.33 0.48 0.54 0.00 0.00 0.00 176.91 180.03 2oec s ASN 1194N -7.36 -0.15 0.01 1.22 4.22 -1.26 -0.78 114.94 110.84 2oec s ASN 1194Ca -0.09 -0.48 0.03 0.00 -2.14 0.00 0.00 52.86 50.19 2oec s ASN 1194Cb 0.05 0.52 -0.03 0.00 1.28 0.00 0.00 41.25 43.06 2oec s ASN 1194CO 0.91 -0.97 -0.06 -0.31 -2.04 0.00 0.00 177.10 174.63 2oec s TYR 1195N -3.15 2.90 0.11 1.54 2.02 -1.14 -1.09 117.35 118.54 2oec s TYR 1195Ca 0.13 -0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.76 2oec s TYR 1195Cb -0.02 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 2oec s TYR 1195CO 0.03 0.39 0.21 -0.85 -1.57 0.00 0.00 175.55 173.76 2oec n GLU 1196N 1.43 0.30 -0.07 -0.62 -0.00 -0.80 -3.87 120.64 117.02 2oec n GLU 1196Ca -0.15 -0.68 0.01 0.00 -0.00 0.00 0.00 57.16 56.34 2oec n GLU 1196Cb 0.52 0.80 0.02 0.00 -0.00 0.00 0.00 31.44 32.78 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 -0.16 1.32 0.00 3.44 2.81 -1.26 -0.20 117.12 123.07 2oec n MET 1197Ca -0.02 -1.21 0.00 0.00 -1.81 0.00 0.00 57.70 54.66 2oec n MET 1197Cb 0.17 -0.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 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 -0.37 1.74 -0.21 0.03 4.71 -1.26 -3.37 120.64 121.91 2oec n GLU 1198Ca 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.15 2oec n GLU 1198Cb 0.44 -0.70 0.19 0.00 -1.01 0.00 0.00 31.44 30.36 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 0.89 -0.06 1.62 4.64 -1.95 -1.77 113.55 116.92 2oec h SER 1199Ca 0.00 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.26 2oec h SER 1199Cb 0.38 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 2oec h SER 1199CO 0.00 0.75 -0.12 0.00 -0.87 0.00 0.00 176.83 176.59 2oec h ALA 1200N 1.39 -0.08 -0.37 5.18 0.00 -1.88 0.49 119.26 123.99 2oec h ALA 1200Ca 0.24 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2oec h ALA 1200Cb 0.08 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2oec h ALA 1200CO -0.03 -0.59 0.18 1.15 0.00 0.00 0.00 179.25 179.95 2oec h THR 1201N -0.17 0.97 0.86 0.00 2.02 -1.84 -1.92 112.91 112.84 2oec h THR 1201Ca 0.06 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 2oec h THR 1201Cb 0.26 0.57 0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2oec h THR 1201CO -0.16 0.07 -0.42 0.25 0.37 0.00 0.00 175.52 175.63 2oec h LEU 1202N 0.36 -0.98 -0.63 2.58 5.85 -0.80 -1.52 115.31 120.17 2oec h LEU 1202Ca 0.16 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2oec h LEU 1202Cb 0.07 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2oec h LEU 1202CO -0.12 -0.70 0.35 -0.07 -0.34 0.00 0.00 178.44 177.56 2oec h LEU 1203N -1.17 0.52 0.10 2.25 3.38 -0.08 -1.93 115.31 118.38 2oec h LEU 1203Ca -0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2oec h LEU 1203Cb 0.89 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2oec h LEU 1203CO 0.20 0.34 -0.05 0.74 0.09 0.00 0.00 178.44 179.76 2oec h THR 1204N 0.65 1.02 0.00 0.22 2.02 -1.37 0.91 112.91 116.37 2oec h THR 1204Ca 0.28 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2oec h THR 1204Cb 0.16 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2oec h THR 1204CO -0.17 0.11 -0.07 0.00 0.37 0.00 0.00 175.52 175.77 2oec h MET 1205N -0.35 0.00 0.00 6.66 -0.00 -1.16 -1.88 114.93 118.20 2oec h MET 1205Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.56 2oec h MET 1205Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.87 2oec h MET 1205CO 0.02 0.07 -0.75 0.00 -0.00 0.00 0.00 176.91 176.25 2oec h ALA 1207N -0.41 1.25 -0.62 0.00 0.00 -0.70 -1.09 119.26 117.69 2oec h ALA 1207Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2oec h ALA 1207Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2oec h ALA 1207CO -0.12 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 2oec n SER 1208N -3.45 3.68 -0.12 0.00 3.41 -0.72 -4.38 113.62 112.04 2oec n SER 1208Ca -0.03 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 2oec n SER 1208Cb 0.09 -0.42 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 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 1.29 0.40 -2.26 4.33 6.02 -0.50 -5.01 117.38 121.65 2oec n GLN 1209Ca 0.21 -0.82 -0.06 0.00 -0.01 0.00 0.00 57.00 56.32 2oec n GLN 1209Cb 0.58 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 31.24 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 -0.12 0.24 3.41 1.08 0.00 -0.99 -5.03 105.19 103.78 2oec n GLY 1210Ca 0.01 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.82 2.42 -0.10 0.99 1.43 -0.69 -5.04 118.68 115.87 2oec s LEU 1211Ca 0.04 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 2oec s LEU 1211Cb -0.02 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 2oec s LEU 1211CO 0.04 0.20 0.27 -0.13 0.23 0.00 0.00 176.35 176.96 2oec s ARG 1212N -1.90 3.84 -0.06 1.70 0.52 0.07 -3.84 118.95 119.28 2oec s ARG 1212Ca 0.15 0.10 -0.06 0.00 -0.52 0.00 0.00 55.73 55.40 2oec s ARG 1212Cb -0.10 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.11 2oec s ARG 1212CO 0.06 0.59 0.17 0.00 0.02 0.00 0.00 175.30 176.14 2oec s ALA 1213N -0.59 -0.41 0.23 2.13 0.00 -1.26 0.06 121.76 121.92 2oec s ALA 1213Ca 0.18 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.59 2oec s ALA 1213Cb -0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 2oec s ALA 1213CO 0.07 -0.09 0.02 0.20 0.00 0.00 0.00 175.76 175.95 2oec s GLY 1214N -0.06 1.56 -0.08 0.00 0.00 -0.43 -0.38 107.32 107.92 2oec s GLY 1214Ca -0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 44.72 42.88 2oec s GLY 1214CO 0.00 -1.64 0.20 -0.29 0.00 0.00 0.00 173.10 171.38 2oec s MET 1215N -3.90 0.19 0.09 2.90 1.75 -1.26 -1.49 119.30 117.58 2oec s MET 1215Ca 0.30 0.38 0.07 0.00 -1.25 0.00 0.00 55.69 55.19 2oec s MET 1215Cb 0.06 -0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.67 2oec s MET 1215CO 0.09 -0.10 -0.19 0.54 -0.65 0.00 0.00 175.02 174.71 2oec s VAL 1216N 0.71 1.58 -0.01 10.11 0.11 -0.29 -2.25 120.40 130.35 2oec s VAL 1216Ca -0.05 -1.48 -0.11 0.00 -2.93 0.00 0.00 61.98 57.41 2oec s VAL 1216Cb -0.06 -1.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 2oec s VAL 1216CO -0.04 -0.09 0.23 0.00 -3.33 0.00 0.00 175.10 171.87 2oec s ALA 1217N -1.17 -0.56 -0.12 1.54 0.00 -0.58 -2.00 121.76 118.88 2oec s ALA 1217Ca 0.05 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 2oec s ALA 1217Cb -0.10 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2oec s ALA 1217CO 0.04 -0.23 0.13 0.20 0.00 0.00 0.00 175.76 175.90 2oec s GLY 1218N -1.31 2.15 -0.13 0.00 0.00 -0.62 -0.67 107.32 106.74 2oec s GLY 1218Ca -0.14 -0.65 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 2oec s GLY 1218CO 0.03 -0.39 1.11 0.14 0.00 0.00 0.00 173.10 173.99 2oec s VAL 1219N -1.03 4.52 -0.21 1.40 1.01 -0.20 -1.55 120.40 124.36 2oec s VAL 1219Ca 0.15 1.82 0.09 0.00 0.00 0.00 0.00 61.98 64.04 2oec s VAL 1219Cb -0.12 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.90 2oec s VAL 1219CO 0.04 -0.06 -0.07 2.30 0.00 0.00 0.00 175.10 177.31 2oec n ILE 1220N 4.88 1.30 -4.25 2.22 -5.35 0.20 -1.06 119.36 117.29 2oec n ILE 1220Ca 0.11 -0.64 -0.14 0.00 -0.27 0.00 0.00 62.75 61.81 2oec n ILE 1220Cb 0.47 -0.93 -0.10 0.00 -1.74 0.00 0.00 39.64 37.34 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 -2.45 0.74 -0.11 7.28 1.01 -1.21 -4.62 120.40 121.03 2oec s VAL 1221Ca -0.20 -1.99 -0.03 0.00 0.00 0.00 0.00 61.98 59.76 2oec s VAL 1221Cb 0.07 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.36 2oec s VAL 1221CO 0.64 -0.47 0.04 0.21 0.00 0.00 0.00 175.10 175.53 2oec s ASN 1222N -3.19 1.95 0.00 3.32 3.84 -1.26 -0.96 114.94 118.64 2oec s ASN 1222Ca 0.24 -0.33 0.01 0.00 0.21 0.00 0.00 52.86 52.99 2oec s ASN 1222Cb 0.06 -0.36 0.05 0.00 -0.55 0.00 0.00 41.25 40.44 2oec s ASN 1222CO 0.04 -0.27 0.48 0.54 -2.79 0.00 0.00 177.10 175.10 2oec n ARG 1223N 5.19 0.43 0.00 0.43 5.12 -0.22 -2.01 116.66 125.60 2oec n ARG 1223Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 2oec n ARG 1223Cb 0.49 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 30.76 2oec n ARG 1223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2oec n THR 1224N -0.53 0.00 -4.04 0.55 -2.24 -1.26 -5.03 114.28 101.73 2oec n THR 1224Ca 0.01 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 2oec n THR 1224Cb 0.00 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.77 2.94 -0.11 -0.78 -0.21 -0.85 -5.00 119.66 114.88 2oec s GLN 1225Ca 0.00 -1.07 0.14 0.00 0.02 0.00 0.00 55.36 54.45 2oec s GLN 1225Cb 0.00 -2.58 -0.20 0.00 1.00 0.00 0.00 33.01 31.23 2oec s GLN 1225CO 0.00 0.34 0.12 1.04 -2.12 0.00 0.00 175.29 174.68 2oec n GLN 1226N -1.24 1.32 -2.16 2.91 6.02 -1.26 -4.82 117.38 118.15 2oec n GLN 1226Ca -0.07 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 2oec n GLN 1226Cb 0.58 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 2oec n GLN 1226CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2oec s GLU 1227N -2.54 4.29 0.34 -1.09 -6.30 -1.26 -4.99 118.70 107.14 2oec s GLU 1227Ca -0.07 2.06 -0.28 0.00 -2.50 0.00 0.00 54.97 54.18 2oec s GLU 1227Cb 0.06 -3.43 -0.09 0.00 0.00 0.00 0.00 34.13 30.66 2oec s GLU 1227CO 0.61 -0.53 1.19 0.42 0.02 0.00 0.00 175.26 176.97 2oec s ILE 1228N 1.85 3.14 0.69 -3.70 1.09 -1.26 -4.92 121.20 118.08 2oec s ILE 1228Ca 0.65 1.08 -0.15 0.00 -1.10 0.00 0.00 60.65 61.13 2oec s ILE 1228Cb -0.35 -3.66 0.02 0.00 -1.06 0.00 0.00 42.46 37.41 2oec s ILE 1228CO 0.29 0.21 1.16 -2.84 -0.10 0.00 0.00 174.94 173.65 2oec s PRO 1229N -1.84 2.49 0.16 2.79 0.02 -1.26 -4.93 135.00 132.42 2oec s PRO 1229Ca 0.50 1.57 -0.31 0.00 0.02 0.00 0.00 61.00 62.79 2oec s PRO 1229Cb -0.34 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.20 2oec s PRO 1229CO 0.44 -1.53 1.34 1.21 -0.33 0.00 0.00 177.00 178.13 2oec s ASN 1230N -2.30 6.87 0.37 2.53 3.84 -1.26 -4.89 114.94 120.10 2oec s ASN 1230Ca 0.71 2.36 0.25 0.00 0.21 0.00 0.00 52.86 56.39 2oec s ASN 1230Cb -0.25 -2.60 1.36 0.00 -0.55 0.00 0.00 41.25 39.21 2oec s ASN 1230CO 0.43 -0.58 1.78 0.00 -2.79 0.00 0.00 177.10 175.94 2oec h ALA 1231N 6.00 1.00 0.01 1.71 0.00 -2.02 -2.18 119.26 123.78 2oec h ALA 1231Ca -0.44 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.11 2oec h ALA 1231Cb 1.21 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2oec h ALA 1231CO 0.81 0.00 -2.30 -1.91 0.00 0.00 0.00 179.25 175.85 2oec n GLU 1232N -2.39 0.68 -0.24 0.00 4.07 -1.26 -4.10 120.64 117.40 2oec n GLU 1232Ca -0.01 0.09 -0.08 0.00 -0.06 0.00 0.00 57.16 57.09 2oec n GLU 1232Cb 0.05 -1.57 0.04 0.00 -0.06 0.00 0.00 31.44 29.91 2oec n GLU 1232CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2oec h THR 1233N 0.00 1.26 -0.89 6.31 1.35 -1.79 -2.58 112.91 116.57 2oec h THR 1233Ca -0.52 -1.04 0.04 0.00 -0.55 0.00 0.00 66.41 64.35 2oec h THR 1233Cb 2.12 0.63 -0.05 0.00 -1.73 0.00 0.00 68.15 69.11 2oec h THR 1233CO 0.01 0.39 0.59 0.24 -0.25 0.00 0.00 175.52 176.50 2oec h MET 1234N 1.04 1.05 -0.05 4.72 2.86 -1.70 -0.75 114.93 122.11 2oec h MET 1234Ca 0.21 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2oec h MET 1234Cb 0.44 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2oec h MET 1234CO 0.01 0.70 -0.01 0.87 1.06 0.00 0.00 176.91 179.54 2oec h LYS 1235N 1.09 0.10 -0.89 1.72 1.57 -1.63 -1.50 116.57 117.02 2oec h LYS 1235Ca 0.36 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 2oec h LYS 1235Cb 0.08 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2oec h LYS 1235CO -0.12 0.42 0.51 0.37 -0.57 0.00 0.00 179.45 180.06 2oec h GLN 1236N -0.23 1.23 -0.24 3.15 5.75 -1.32 -2.28 115.11 121.18 2oec h GLN 1236Ca 0.01 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2oec h GLN 1236Cb 0.38 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2oec h GLN 1236CO 0.00 0.88 0.14 1.15 -2.65 0.00 0.00 178.83 178.35 2oec h THR 1237N 1.24 1.10 0.08 2.39 2.02 -1.02 0.13 112.91 118.84 2oec h THR 1237Ca 0.32 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2oec h THR 1237Cb -0.00 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2oec h THR 1237CO -0.05 0.10 -0.06 -0.08 0.37 0.00 0.00 175.52 175.80 2oec h GLU 1238N 0.28 -0.14 0.00 6.66 4.81 -1.10 0.20 114.58 125.30 2oec h GLU 1238Ca 0.08 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2oec h GLU 1238Cb 0.04 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2oec h GLU 1238CO -0.01 -0.09 -0.05 0.66 -0.73 0.00 0.00 179.01 178.78 2oec h SER 1239N -0.14 0.00 -0.03 1.04 4.64 -1.30 0.39 113.55 118.16 2oec h SER 1239Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2oec h SER 1239Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2oec h SER 1239CO -0.01 0.05 -0.36 -0.74 -0.87 0.00 0.00 176.83 174.91 2oec h HIS 1240N 0.00 0.41 -0.53 4.77 2.76 0.62 0.17 115.15 123.35 2oec h HIS 1240Ca -0.00 -0.20 -0.04 0.00 -2.20 0.00 0.00 60.37 57.93 2oec h HIS 1240Cb 0.15 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 2oec h HIS 1240CO 0.00 0.98 0.17 0.00 -1.30 0.00 0.00 177.93 177.78 2oec h ALA 1241N 0.34 1.30 -0.19 5.26 0.00 -0.24 -1.62 119.26 124.10 2oec h ALA 1241Ca -0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2oec h ALA 1241Cb 1.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2oec h ALA 1241CO 0.07 0.51 -0.42 0.28 0.00 0.00 0.00 179.25 179.68 2oec h VAL 1242N 0.77 1.31 -0.67 0.00 2.07 -0.89 -1.43 116.25 117.41 2oec h VAL 1242Ca 0.18 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.03 2oec h VAL 1242Cb 0.22 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2oec h VAL 1242CO -0.01 0.49 0.11 0.11 0.02 0.00 0.00 177.57 178.29 2oec h LYS 1243N 0.38 1.11 -0.27 1.57 1.57 -0.54 -2.53 116.57 117.86 2oec h LYS 1243Ca 0.03 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2oec h LYS 1243Cb 0.90 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2oec h LYS 1243CO 0.08 1.01 0.08 0.82 -0.57 0.00 0.00 179.45 180.87 2oec h ILE 1244N 1.03 1.20 -0.59 1.86 2.04 -0.99 -1.82 117.51 120.24 2oec h ILE 1244Ca 0.20 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 2oec h ILE 1244Cb 0.44 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2oec h ILE 1244CO 0.01 0.21 0.09 1.62 0.00 0.00 0.00 178.15 180.08 2oec h VAL 1245N 0.28 1.25 -0.51 1.67 3.04 -1.22 -0.03 116.25 120.74 2oec h VAL 1245Ca 0.09 -0.98 -0.10 0.00 -1.01 0.00 0.00 66.70 64.70 2oec h VAL 1245Cb 0.25 0.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.22 2oec h VAL 1245CO -0.00 0.36 -0.06 0.58 -1.01 0.00 0.00 177.57 177.44 2oec h VAL 1246N 0.91 1.27 -0.67 1.51 2.07 -1.41 -1.28 116.25 118.65 2oec h VAL 1246Ca 0.18 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 2oec h VAL 1246Cb 0.41 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2oec h VAL 1246CO 0.01 0.41 0.18 -0.33 0.02 0.00 0.00 177.57 177.86 2oec h GLU 1247N 0.79 1.04 -0.53 1.57 4.39 -1.03 -2.93 114.58 117.88 2oec h GLU 1247Ca 0.14 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2oec h GLU 1247Cb 0.60 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2oec h GLU 1247CO 0.04 0.91 0.24 0.00 -1.16 0.00 0.00 179.01 179.04 2oec h ALA 1248N 1.19 0.69 -0.64 3.43 0.00 -0.76 -2.82 119.26 120.34 2oec h ALA 1248Ca 0.21 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2oec h ALA 1248Cb 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2oec h ALA 1248CO -0.00 0.28 0.42 0.00 0.00 0.00 0.00 179.25 179.95 2oec h ALA 1249N 1.08 1.81 -0.99 0.00 0.00 -1.06 -1.50 119.26 118.60 2oec h ALA 1249Ca 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2oec h ALA 1249Cb 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2oec h ALA 1249CO -0.02 0.08 0.65 0.00 0.00 0.00 0.00 179.25 179.96 2oec h ARG 1250N 0.61 1.31 0.00 0.00 3.08 -1.37 -0.74 114.38 117.27 2oec h ARG 1250Ca 0.28 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2oec h ARG 1250Cb 0.32 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2oec h ARG 1250CO -0.09 0.88 0.00 0.00 -1.07 0.00 0.00 179.97 179.69 2oec h ARG 1251N 1.35 0.00 -0.02 0.04 3.08 -1.30 -3.06 114.38 114.47 2oec h ARG 1251Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2oec h ARG 1251Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2oec h ARG 1251CO -0.08 0.00 -0.06 1.28 -1.07 0.00 0.00 179.97 180.04 2oec n LEU 1252N -2.87 2.38 0.00 3.04 4.77 -0.35 -5.09 117.00 118.89 2oec n LEU 1252Ca 0.00 -0.96 0.09 0.00 -0.03 0.00 0.00 56.01 55.12 2oec n LEU 1252Cb 0.25 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 41.90 2oec n LEU 1252CO 0.24 0.42 0.76 0.18 -1.33 0.00 0.00 177.39 177.66