#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxy s LYS 1002N 0.00 4.50 -0.15 1.64 2.36 -1.21 -4.92 119.74 121.96 2nxy s LYS 1002Ca 0.00 1.24 -0.03 0.00 -2.55 0.00 0.00 55.97 54.64 2nxy s LYS 1002Cb 0.00 -3.47 -0.02 0.00 -1.05 0.00 0.00 37.83 33.29 2nxy s LYS 1002CO 0.00 -0.05 -0.07 0.08 1.55 0.00 0.00 175.35 176.87 2nxy s VAL 1003N 1.07 3.59 -0.08 4.02 1.01 -1.26 0.38 120.40 129.13 2nxy s VAL 1003Ca 0.47 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2nxy s VAL 1003Cb -0.20 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2nxy s VAL 1003CO 0.24 0.50 -0.17 -0.69 0.00 0.00 0.00 175.10 174.97 2nxy s VAL 1004N 0.45 1.52 -0.16 2.92 1.01 0.46 -4.95 120.40 121.65 2nxy s VAL 1004Ca -0.06 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 2nxy s VAL 1004Cb -0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2nxy s VAL 1004CO 0.03 0.44 0.14 -0.76 0.00 0.00 0.00 175.10 174.95 2nxy s LEU 1005N 0.47 4.30 0.30 3.92 1.43 -1.26 -1.09 118.68 126.74 2nxy s LEU 1005Ca -0.15 0.36 0.11 0.00 -1.03 0.00 0.00 54.13 53.41 2nxy s LEU 1005Cb -0.16 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 2nxy s LEU 1005CO 0.05 0.30 -0.11 -0.83 0.23 0.00 0.00 176.35 175.99 2nxy s GLY 1006N -0.37 1.92 -0.09 -3.19 0.00 0.16 -4.93 107.32 100.81 2nxy s GLY 1006Ca 0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 44.72 42.93 2nxy s GLY 1006CO 0.01 -1.92 -0.01 0.54 0.00 0.00 0.00 173.10 171.72 2nxy s LYS 1007N -3.59 3.07 0.11 2.90 1.02 -1.26 -1.22 119.74 120.77 2nxy s LYS 1007Ca 0.31 -0.43 -0.31 0.00 0.02 0.00 0.00 55.97 55.56 2nxy s LYS 1007Cb -0.03 -2.80 -0.11 0.00 -0.52 0.00 0.00 37.83 34.37 2nxy s LYS 1007CO 0.17 0.64 1.85 1.17 -0.92 0.00 0.00 175.35 178.25 2nxy n LYS 1008N 2.35 2.77 -0.00 1.68 4.81 0.15 -1.56 118.16 128.36 2nxy n LYS 1008Ca -0.18 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 2nxy n LYS 1008Cb 0.53 -2.91 0.00 0.00 0.02 0.00 0.00 35.03 32.68 2nxy n LYS 1008CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nxy n GLY 1009N 4.25 0.73 1.29 3.14 0.00 0.08 -4.88 105.19 109.81 2nxy n GLY 1009Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 2nxy n GLY 1009CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nxy n ASP 1010N 0.00 0.46 -4.38 1.61 9.92 -0.60 -4.16 116.55 119.41 2nxy n ASP 1010Ca 0.00 -1.38 -0.32 0.00 -0.53 0.00 0.00 54.79 52.56 2nxy n ASP 1010Cb 0.00 -0.21 -0.15 0.00 -0.64 0.00 0.00 41.12 40.12 2nxy n ASP 1010CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2nxy s THR 1011N -0.83 2.56 0.10 -3.53 2.01 -1.26 -1.04 115.64 113.66 2nxy s THR 1011Ca 0.22 -0.90 0.10 0.00 0.31 0.00 0.00 61.69 61.41 2nxy s THR 1011Cb -0.01 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2nxy s THR 1011CO 0.14 0.58 -0.25 0.54 -0.69 0.00 0.00 174.62 174.95 2nxy s VAL 1012N -0.48 2.03 -0.20 3.82 0.11 0.19 -4.94 120.40 120.92 2nxy s VAL 1012Ca 0.06 -1.59 0.01 0.00 -2.93 0.00 0.00 61.98 57.53 2nxy s VAL 1012Cb -0.12 -1.80 0.02 0.00 -1.53 0.00 0.00 36.38 32.96 2nxy s VAL 1012CO 0.01 0.10 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.02 2nxy s GLU 1013N -1.81 2.89 -0.19 1.54 2.12 -1.26 -0.90 118.70 121.09 2nxy s GLU 1013Ca 0.11 -0.91 -0.13 0.00 0.36 0.00 0.00 54.97 54.41 2nxy s GLU 1013Cb -0.10 -2.69 -0.05 0.00 0.26 0.00 0.00 34.13 31.55 2nxy s GLU 1013CO 0.04 -0.28 0.24 -0.51 -0.54 0.00 0.00 175.26 174.21 2nxy s LEU 1014N 1.28 4.21 0.09 2.70 1.43 1.00 -4.95 118.68 124.44 2nxy s LEU 1014Ca 0.02 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 2nxy s LEU 1014Cb -0.15 -2.27 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 2nxy s LEU 1014CO -0.10 0.10 0.44 0.42 0.23 0.00 0.00 176.35 177.44 2nxy s THR 1015N 0.60 5.02 -0.08 5.49 -4.23 -1.26 -0.19 115.64 121.00 2nxy s THR 1015Ca 0.13 0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 2nxy s THR 1015Cb -0.13 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.08 2nxy s THR 1015CO 0.03 0.30 0.11 0.00 -0.54 0.00 0.00 174.62 174.51 2nxy s THR 1017N 2.22 1.93 0.62 0.00 2.01 -1.26 -0.38 115.64 120.77 2nxy s THR 1017Ca 0.04 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 2nxy s THR 1017Cb -0.13 -1.68 0.03 0.00 0.01 0.00 0.00 72.50 70.73 2nxy s THR 1017CO -0.05 0.53 0.92 0.00 -0.69 0.00 0.00 174.62 175.33 2nxy s ALA 1018N 0.39 3.32 -1.44 7.40 0.00 0.28 -4.99 121.76 126.72 2nxy s ALA 1018Ca -0.18 -0.83 0.29 0.00 0.00 0.00 0.00 51.96 51.24 2nxy s ALA 1018Cb -0.18 -2.54 1.47 0.00 0.00 0.00 0.00 23.12 21.87 2nxy s ALA 1018CO 0.08 -0.94 2.01 -1.13 0.00 0.00 0.00 175.76 175.78 2nxy n SER 1019N -2.65 0.00 -4.02 0.00 3.41 -1.26 -4.80 113.62 104.29 2nxy n SER 1019Ca 0.06 -0.14 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 2nxy n SER 1019Cb 0.59 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.14 2nxy n SER 1019CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2nxy s GLN 1020N -2.56 0.43 -1.30 4.33 2.00 -1.26 -5.08 119.66 116.23 2nxy s GLN 1020Ca 0.28 -0.75 -0.14 0.00 -2.00 0.00 0.00 55.36 52.75 2nxy s GLN 1020Cb 0.19 -0.02 0.12 0.00 0.80 0.00 0.00 33.01 34.11 2nxy s GLN 1020CO 0.44 -0.02 1.76 1.63 -0.50 0.00 0.00 175.29 178.59 2nxy n LYS 1021N 1.34 3.29 -3.61 1.67 5.02 -1.26 -4.09 118.16 120.50 2nxy n LYS 1021Ca -0.22 -3.40 -0.16 0.00 -2.02 0.00 0.00 58.31 52.51 2nxy n LYS 1021Cb 0.56 -3.19 -0.07 0.00 -0.02 0.00 0.00 35.03 32.31 2nxy n LYS 1021CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2nxy s LYS 1022N 2.35 0.87 -0.23 1.97 2.20 -1.14 -4.63 119.74 121.13 2nxy s LYS 1022Ca 0.46 0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 56.11 2nxy s LYS 1022Cb 0.05 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.77 2nxy s LYS 1022CO 0.01 -0.23 1.29 0.45 -0.36 0.00 0.00 175.35 176.52 2nxy s SER 1023N -0.78 6.79 0.43 1.43 0.15 -1.03 -3.73 113.70 116.96 2nxy s SER 1023Ca -0.08 1.45 0.03 0.00 0.70 0.00 0.00 55.95 58.04 2nxy s SER 1023Cb -0.02 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2nxy s SER 1023CO 0.06 -0.94 0.10 2.30 1.20 0.00 0.00 173.24 175.96 2nxy n ILE 1024N 5.82 0.00 -2.45 6.45 -5.35 -1.26 -5.00 119.36 117.57 2nxy n ILE 1024Ca 0.14 -2.32 -0.42 0.00 -0.27 0.00 0.00 62.75 59.88 2nxy n ILE 1024Cb 0.46 0.72 -0.03 0.00 -1.74 0.00 0.00 39.64 39.04 2nxy n ILE 1024CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2nxy s GLN 1025N -3.60 4.42 0.09 6.28 0.74 -1.26 -4.95 119.66 121.38 2nxy s GLN 1025Ca 0.14 1.72 0.01 0.00 0.05 0.00 0.00 55.36 57.28 2nxy s GLN 1025Cb 0.01 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 2nxy s GLN 1025CO 0.10 -0.29 -0.06 -0.59 -0.55 0.00 0.00 175.29 173.89 2nxy s PHE 1026N 1.38 0.84 -0.16 1.67 -0.71 -1.26 -4.35 117.98 115.39 2nxy s PHE 1026Ca 0.58 -0.92 -0.15 0.00 -1.04 0.00 0.00 56.93 55.40 2nxy s PHE 1026Cb -0.28 -0.50 0.04 0.00 -1.21 0.00 0.00 43.02 41.08 2nxy s PHE 1026CO 0.27 -0.17 0.43 -1.58 -1.34 0.00 0.00 175.22 172.83 2nxy s HIS 1027N -3.60 -0.48 -0.15 3.49 2.46 -0.82 -2.65 115.29 113.54 2nxy s HIS 1027Ca 0.11 1.17 -0.06 0.00 0.47 0.00 0.00 55.06 56.74 2nxy s HIS 1027Cb 0.05 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.63 2nxy s HIS 1027CO -0.05 -0.23 0.05 -1.58 -2.47 0.00 0.00 174.74 170.45 2nxy s TRP 1028N 0.30 3.26 0.22 3.88 0.52 0.10 -0.53 118.94 126.68 2nxy s TRP 1028Ca -0.01 0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.29 2nxy s TRP 1028Cb -0.03 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.25 2nxy s TRP 1028CO -0.00 0.28 -0.06 0.15 0.02 0.00 0.00 176.95 177.33 2nxy s LYS 1029N -0.07 1.32 0.63 4.98 1.02 -0.05 -0.82 119.74 126.75 2nxy s LYS 1029Ca 0.06 -1.63 0.03 0.00 0.02 0.00 0.00 55.97 54.45 2nxy s LYS 1029Cb -0.12 -0.82 0.12 0.00 -0.52 0.00 0.00 37.83 36.48 2nxy s LYS 1029CO 0.01 0.02 0.87 0.27 -0.92 0.00 0.00 175.35 175.60 2nxy n ASN 1030N -0.40 1.55 0.25 2.83 0.23 -0.57 -0.59 115.26 118.57 2nxy n ASN 1030Ca -0.07 -2.22 0.17 0.00 -0.53 0.00 0.00 54.58 51.93 2nxy n ASN 1030Cb 0.62 -0.53 0.81 0.00 -2.08 0.00 0.00 39.78 38.61 2nxy n ASN 1030CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2nxy h SER 1031N -0.30 0.00 -0.56 0.53 4.64 -1.56 0.14 113.55 116.44 2nxy h SER 1031Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2nxy h SER 1031Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2nxy h SER 1031CO 0.35 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.90 2nxy n ASN 1032N -2.74 4.17 -0.51 4.97 3.02 -1.26 -4.92 115.26 117.99 2nxy n ASN 1032Ca -0.01 -2.39 -0.07 0.00 -0.03 0.00 0.00 54.58 52.09 2nxy n ASN 1032Cb 0.15 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 2nxy n ASN 1032CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nxy n GLN 1033N 0.94 -0.87 -2.54 3.52 1.13 0.04 -4.98 117.38 114.61 2nxy n GLN 1033Ca 0.22 0.64 -0.42 0.00 -1.94 0.00 0.00 57.00 55.50 2nxy n GLN 1033Cb 0.79 -4.53 -0.03 0.00 0.11 0.00 0.00 30.24 26.57 2nxy n GLN 1033CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2nxy s ILE 1034N -2.04 4.41 0.04 5.09 1.01 -1.26 -4.80 121.20 123.65 2nxy s ILE 1034Ca 0.00 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.07 2nxy s ILE 1034Cb 0.00 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 2nxy s ILE 1034CO 0.00 0.07 1.54 -0.54 0.00 0.00 0.00 174.94 176.01 2nxy s LYS 1035N 1.56 4.24 -0.20 2.79 1.02 -1.26 -1.51 119.74 126.37 2nxy s LYS 1035Ca 0.55 2.16 -0.16 0.00 0.02 0.00 0.00 55.97 58.54 2nxy s LYS 1035Cb -0.24 -3.59 -0.10 0.00 -0.52 0.00 0.00 37.83 33.38 2nxy s LYS 1035CO 0.25 -0.66 -0.15 -0.89 -0.92 0.00 0.00 175.35 172.98 2nxy n ILE 1036N 4.70 1.49 -3.59 2.17 2.08 -0.00 -3.63 119.36 122.57 2nxy n ILE 1036Ca 0.15 -0.01 -0.09 0.00 0.56 0.00 0.00 62.75 63.36 2nxy n ILE 1036Cb 0.42 -2.17 -0.05 0.00 -0.75 0.00 0.00 39.64 37.09 2nxy n ILE 1036CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2nxy s LEU 1037N -7.89 -0.31 0.00 1.39 0.20 -1.18 -1.01 118.68 109.88 2nxy s LEU 1037Ca -0.27 0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.91 2nxy s LEU 1037Cb 0.07 1.71 0.00 0.00 -0.43 0.00 0.00 46.19 47.54 2nxy s LEU 1037CO 0.43 -0.27 0.00 0.61 -0.29 0.00 0.00 176.35 176.83 2nxy n GLY 1038N 0.81 1.58 3.45 7.98 0.00 -0.70 0.02 105.19 118.32 2nxy n GLY 1038Ca -0.09 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 2nxy n GLY 1038CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nxy s ASN 1039N -0.69 3.49 -0.33 1.61 4.22 -1.08 -1.11 114.94 121.04 2nxy s ASN 1039Ca 0.00 -0.96 0.01 0.00 -2.14 0.00 0.00 52.86 49.77 2nxy s ASN 1039Cb 0.00 -0.28 0.10 0.00 1.28 0.00 0.00 41.25 42.36 2nxy s ASN 1039CO 0.00 0.06 0.10 -1.10 -2.04 0.00 0.00 177.10 174.12 2nxy s GLN 1040N -3.18 1.04 6.84 3.55 -1.52 0.87 -4.66 119.66 122.60 2nxy s GLN 1040Ca 0.26 -1.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.22 2nxy s GLN 1040Cb -0.06 -2.45 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 2nxy s GLN 1040CO 0.13 -0.99 0.00 0.41 -0.25 0.00 0.00 175.29 174.59 2nxy n GLY 1041N 4.51 2.58 1.16 3.09 0.00 -1.26 -2.04 105.19 113.22 2nxy n GLY 1041Ca 0.01 0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.40 2nxy n GLY 1041CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nxy n SER 1042N 10.68 3.69 -4.60 1.61 3.41 -1.26 -4.95 113.62 122.20 2nxy n SER 1042Ca 0.00 -2.01 -0.31 0.00 -0.26 0.00 0.00 58.87 56.28 2nxy n SER 1042Cb 0.00 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 2nxy n SER 1042CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2nxy s PHE 1043N -1.03 2.86 0.10 7.33 0.08 -0.87 -5.12 117.98 121.34 2nxy s PHE 1043Ca 0.42 -0.07 -0.21 0.00 0.12 0.00 0.00 56.93 57.19 2nxy s PHE 1043Cb 0.22 -1.55 -0.07 0.00 -0.57 0.00 0.00 43.02 41.05 2nxy s PHE 1043CO 0.28 0.40 0.64 -1.17 -0.10 0.00 0.00 175.22 175.27 2nxy s LEU 1044N -1.75 4.55 0.11 -0.37 2.96 -1.26 -0.09 118.68 122.83 2nxy s LEU 1044Ca 0.19 1.39 0.10 0.00 -0.22 0.00 0.00 54.13 55.60 2nxy s LEU 1044Cb -0.11 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 2nxy s LEU 1044CO 0.11 0.25 -0.24 0.42 -1.32 0.00 0.00 176.35 175.57 2nxy s THR 1045N -1.12 2.47 -0.02 3.68 -4.23 -0.27 -4.86 115.64 111.28 2nxy s THR 1045Ca 0.31 -1.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 2nxy s THR 1045Cb -0.21 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 2nxy s THR 1045CO 0.21 0.14 -0.19 -0.54 -0.54 0.00 0.00 174.62 173.70 2nxy s LYS 1046N -1.96 1.69 0.72 3.99 1.02 -1.26 -1.72 119.74 122.22 2nxy s LYS 1046Ca 0.15 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 2nxy s LYS 1046Cb -0.10 -1.58 0.12 0.00 -0.52 0.00 0.00 37.83 35.75 2nxy s LYS 1046CO 0.07 0.38 1.00 0.20 -0.92 0.00 0.00 175.35 176.08 2nxy s GLY 1047N -0.32 1.76 0.00 -3.33 0.00 -0.18 -4.93 107.32 100.31 2nxy s GLY 1047Ca 0.04 -1.62 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 2nxy s GLY 1047CO 0.00 -1.07 2.51 -1.55 0.00 0.00 0.00 173.10 172.99 2nxy n PRO 1048N -2.87 1.32 -3.35 2.90 -0.04 -1.24 -4.68 135.00 127.04 2nxy n PRO 1048Ca 0.14 -0.43 -0.19 0.00 -0.04 0.00 0.00 63.50 62.98 2nxy n PRO 1048Cb 0.60 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2nxy n PRO 1048CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2nxy s SER 1049N 2.05 5.91 0.08 3.54 1.04 -1.25 -4.99 113.70 120.08 2nxy s SER 1049Ca 0.29 -0.17 0.19 0.00 0.48 0.00 0.00 55.95 56.74 2nxy s SER 1049Cb 0.14 -1.18 0.78 0.00 0.10 0.00 0.00 66.02 65.86 2nxy s SER 1049CO 0.00 -0.51 1.59 0.29 0.98 0.00 0.00 173.24 175.59 2nxy n LYS 1050N -1.72 0.06 0.00 4.02 5.02 -1.26 -2.18 118.16 122.10 2nxy n LYS 1050Ca 0.01 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 2nxy n LYS 1050Cb 0.58 -1.61 0.38 0.00 -0.02 0.00 0.00 35.03 34.36 2nxy n LYS 1050CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2nxy n LEU 1051N -1.73 1.02 -0.39 -0.35 4.32 -1.26 -4.69 117.00 113.92 2nxy n LEU 1051Ca 0.04 -0.26 -0.06 0.00 -0.02 0.00 0.00 56.01 55.71 2nxy n LEU 1051Cb 0.21 -0.12 -0.02 0.00 -1.62 0.00 0.00 43.42 41.87 2nxy n LEU 1051CO 0.17 0.19 0.54 -1.13 -1.22 0.00 0.00 177.39 175.94 2nxy h ASN 1052N 1.20 -1.74 0.14 -1.43 -0.73 -1.71 0.10 115.58 111.41 2nxy h ASN 1052Ca 0.00 0.32 0.00 0.00 1.87 0.00 0.00 56.30 58.49 2nxy h ASN 1052Cb 0.51 0.84 0.00 0.00 0.27 0.00 0.00 38.32 39.93 2nxy h ASN 1052CO 0.00 -0.27 -0.02 -0.90 -0.37 0.00 0.00 177.43 175.88 2nxy n ASP 1053N -5.38 0.25 -0.20 1.15 3.85 -1.26 -3.06 116.55 111.90 2nxy n ASP 1053Ca 0.06 -0.86 0.02 0.00 -0.71 0.00 0.00 54.79 53.31 2nxy n ASP 1053Cb 0.34 -0.06 0.04 0.00 -1.35 0.00 0.00 41.12 40.09 2nxy n ASP 1053CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2nxy n ARG 1054N -0.90 1.74 -4.53 0.11 1.74 0.26 -5.02 116.66 110.06 2nxy n ARG 1054Ca 0.20 -1.35 -0.34 0.00 -0.77 0.00 0.00 57.85 55.59 2nxy n ARG 1054Cb 0.19 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.43 2nxy n ARG 1054CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nxy s ALA 1055N -0.76 3.06 0.26 7.54 0.00 -0.63 -1.29 121.76 129.93 2nxy s ALA 1055Ca 0.07 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 2nxy s ALA 1055Cb 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2nxy s ALA 1055CO 0.05 0.51 0.51 0.34 0.00 0.00 0.00 175.76 177.18 2nxy s ASP 1056N -0.62 -0.05 0.00 0.00 -1.08 -0.03 -4.98 116.67 109.91 2nxy s ASP 1056Ca 0.10 -0.94 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 2nxy s ASP 1056Cb -0.12 0.61 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 2nxy s ASP 1056CO 0.02 -1.19 0.00 -0.24 0.52 0.00 0.00 175.17 174.28 2nxy n SER 1057N -0.49 1.66 -3.77 -0.34 2.88 -1.26 -0.28 113.62 112.02 2nxy n SER 1057Ca -0.02 -0.73 -0.30 0.00 -1.33 0.00 0.00 58.87 56.49 2nxy n SER 1057Cb 0.61 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.94 2nxy n SER 1057CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2nxy s ARG 1058N -1.18 1.16 0.54 -1.46 3.52 -1.26 -4.90 118.95 115.36 2nxy s ARG 1058Ca 0.00 -1.72 0.32 0.00 -0.13 0.00 0.00 55.73 54.20 2nxy s ARG 1058Cb 0.00 -2.38 1.42 0.00 -1.56 0.00 0.00 34.95 32.44 2nxy s ARG 1058CO 0.00 -1.08 2.02 0.07 -0.81 0.00 0.00 175.30 175.50 2nxy h ARG 1059N 7.27 0.00 0.00 5.12 0.11 -1.97 -2.07 114.38 122.84 2nxy h ARG 1059Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2nxy h ARG 1059Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 2nxy h ARG 1059CO 0.49 0.07 0.00 -1.13 0.10 0.00 0.00 179.97 179.50 2nxy n SER 1060N -3.24 0.00 -0.00 0.08 3.41 -1.26 -2.26 113.62 110.35 2nxy n SER 1060Ca -0.00 0.05 0.06 0.00 -0.26 0.00 0.00 58.87 58.72 2nxy n SER 1060Cb 0.29 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 2nxy n SER 1060CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nxy n LEU 1061N -1.27 0.50 -0.35 1.04 4.77 -0.78 -4.62 117.00 116.29 2nxy n LEU 1061Ca 0.07 -0.42 0.01 0.00 -0.03 0.00 0.00 56.01 55.64 2nxy n LEU 1061Cb 0.12 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.36 2nxy n LEU 1061CO 0.11 0.12 1.24 -0.50 -1.33 0.00 0.00 177.39 177.04 2nxy h TRP 1062N 0.00 1.12 0.00 -1.77 6.55 -1.42 0.03 115.95 120.46 2nxy h TRP 1062Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2nxy h TRP 1062Cb 0.34 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 28.28 2nxy h TRP 1062CO 0.00 0.60 0.00 -0.25 -1.05 0.00 0.00 178.44 177.74 2nxy n ASP 1063N -4.53 0.37 -1.14 -3.49 8.00 -1.26 -0.87 116.55 113.61 2nxy n ASP 1063Ca 0.14 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.36 2nxy n ASP 1063Cb 0.15 -0.69 0.25 0.00 -0.02 0.00 0.00 41.12 40.81 2nxy n ASP 1063CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nxy n GLN 1064N -1.94 2.58 -1.67 -1.24 1.13 -0.03 -2.89 117.38 113.32 2nxy n GLN 1064Ca 0.01 -2.38 -0.04 0.00 -1.94 0.00 0.00 57.00 52.65 2nxy n GLN 1064Cb 0.12 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 28.97 2nxy n GLN 1064CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nxy n GLY 1065N 1.40 0.41 3.27 1.08 0.00 -0.05 -4.44 105.19 106.84 2nxy n GLY 1065Ca 0.20 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 2nxy n GLY 1065CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nxy s ASN 1066N -2.88 3.53 -0.50 1.61 -0.87 -1.02 -0.56 114.94 114.25 2nxy s ASN 1066Ca 0.00 -0.48 0.07 0.00 -1.57 0.00 0.00 52.86 50.88 2nxy s ASN 1066Cb 0.00 -1.52 0.24 0.00 -0.02 0.00 0.00 41.25 39.95 2nxy s ASN 1066CO 0.00 0.12 0.58 0.49 -2.57 0.00 0.00 177.10 175.73 2nxy n PHE 1067N 3.78 1.18 -2.38 2.20 3.01 0.48 -3.24 117.46 122.50 2nxy n PHE 1067Ca -0.19 -3.79 -0.34 0.00 1.01 0.00 0.00 57.45 54.14 2nxy n PHE 1067Cb 0.52 -0.39 -0.02 0.00 -0.01 0.00 0.00 39.48 39.59 2nxy n PHE 1067CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2nxy s PRO 1068N -1.55 3.57 -0.40 -1.08 0.04 -1.26 -4.01 135.00 130.31 2nxy s PRO 1068Ca 0.36 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 2nxy s PRO 1068Cb 0.14 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.65 2nxy s PRO 1068CO -0.09 -0.64 0.29 -1.17 0.04 0.00 0.00 177.00 175.43 2nxy s LEU 1069N -3.70 5.02 -0.22 -3.56 0.20 0.73 -4.34 118.68 112.82 2nxy s LEU 1069Ca 0.69 -0.85 -0.07 0.00 0.69 0.00 0.00 54.13 54.60 2nxy s LEU 1069Cb -0.19 -2.15 -0.03 0.00 -0.43 0.00 0.00 46.19 43.38 2nxy s LEU 1069CO 0.24 -0.42 0.06 -0.63 -0.29 0.00 0.00 176.35 175.31 2nxy s ILE 1070N 1.68 4.49 -0.17 6.68 1.01 0.61 -0.00 121.20 135.50 2nxy s ILE 1070Ca 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2nxy s ILE 1070Cb -0.19 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2nxy s ILE 1070CO 0.10 0.39 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 2nxy s ILE 1071N 1.07 1.96 0.43 2.92 1.01 -0.08 -0.85 121.20 127.66 2nxy s ILE 1071Ca 0.04 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.89 2nxy s ILE 1071Cb -0.14 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.56 2nxy s ILE 1071CO 0.03 0.52 0.56 -1.59 0.00 0.00 0.00 174.94 174.47 2nxy s LYS 1072N 1.29 2.77 -1.15 2.79 -2.85 -0.41 -0.64 119.74 121.54 2nxy s LYS 1072Ca 0.04 -1.30 -0.31 0.00 -1.00 0.00 0.00 55.97 53.40 2nxy s LYS 1072Cb -0.13 -2.71 0.04 0.00 -2.06 0.00 0.00 37.83 32.97 2nxy s LYS 1072CO -0.12 -0.29 0.59 -1.71 0.10 0.00 0.00 175.35 173.92 2nxy n ASN 1073N -1.84 -3.49 -4.69 0.03 5.15 -0.75 -4.78 115.26 104.88 2nxy n ASN 1073Ca 0.08 -1.22 -0.42 0.00 -0.60 0.00 0.00 54.58 52.42 2nxy n ASN 1073Cb 0.59 -1.47 -0.00 0.00 -0.53 0.00 0.00 39.78 38.38 2nxy n ASN 1073CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2nxy n LEU 1074N -4.78 3.62 -4.46 1.20 4.77 -0.21 -4.58 117.00 112.55 2nxy n LEU 1074Ca -0.11 1.17 -0.28 0.00 -0.03 0.00 0.00 56.01 56.76 2nxy n LEU 1074Cb 0.53 -1.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.02 2nxy n LEU 1074CO 0.70 -0.60 -0.51 -0.54 -1.33 0.00 0.00 177.39 175.12 2nxy s LYS 1075N -1.98 1.66 0.27 3.23 1.02 -1.26 -0.74 119.74 121.94 2nxy s LYS 1075Ca 0.57 -1.36 -0.00 0.00 0.02 0.00 0.00 55.97 55.20 2nxy s LYS 1075Cb -0.55 -1.98 0.55 0.00 -0.52 0.00 0.00 37.83 35.32 2nxy s LYS 1075CO 0.61 0.44 1.78 0.82 -0.92 0.00 0.00 175.35 178.07 2nxy h ILE 1076N 3.34 0.76 0.00 2.17 5.03 -1.96 -0.37 117.51 126.48 2nxy h ILE 1076Ca -0.48 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.02 2nxy h ILE 1076Cb 1.19 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.99 2nxy h ILE 1076CO 0.47 0.13 0.00 -1.84 -0.68 0.00 0.00 178.15 176.22 2nxy n GLU 1077N -4.82 0.13 0.15 2.37 0.00 -1.26 -1.42 120.64 115.79 2nxy n GLU 1077Ca 0.18 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.65 2nxy n GLU 1077Cb 0.43 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 30.88 2nxy n GLU 1077CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2nxy h ASP 1078N 0.00 0.00 -2.25 -1.84 3.32 -1.47 -3.44 116.42 110.74 2nxy h ASP 1078Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2nxy h ASP 1078Cb 0.19 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.76 2nxy h ASP 1078CO 0.00 0.00 1.19 -1.20 -1.72 0.00 0.00 179.24 177.51 2nxy n SER 1079N -2.37 3.94 -3.57 6.45 7.64 -0.50 -4.89 113.62 120.31 2nxy n SER 1079Ca 0.02 0.93 -0.01 0.00 1.01 0.00 0.00 58.87 60.82 2nxy n SER 1079Cb 0.26 -1.48 0.01 0.00 -1.01 0.00 0.00 64.21 61.99 2nxy n SER 1079CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2nxy s ASP 1080N 4.30 -0.05 -0.19 6.43 -1.08 -0.97 -5.00 116.67 120.11 2nxy s ASP 1080Ca 0.90 -0.44 -0.13 0.00 -0.52 0.00 0.00 52.55 52.37 2nxy s ASP 1080Cb -0.52 0.38 -0.05 0.00 -1.46 0.00 0.00 42.92 41.27 2nxy s ASP 1080CO 0.45 -0.73 0.26 -0.89 0.52 0.00 0.00 175.17 174.78 2nxy s THR 1081N -2.45 5.32 -0.05 1.71 2.01 -1.26 -0.71 115.64 120.20 2nxy s THR 1081Ca 0.19 0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.68 2nxy s THR 1081Cb -0.01 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2nxy s THR 1081CO 0.02 0.37 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.85 2nxy s TYR 1082N 0.66 2.65 -0.10 4.92 1.51 0.28 -1.32 117.35 125.95 2nxy s TYR 1082Ca 0.14 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2nxy s TYR 1082Cb -0.13 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 2nxy s TYR 1082CO 0.03 0.11 -0.22 0.42 -1.11 0.00 0.00 175.55 174.79 2nxy s ILE 1083N -0.61 1.92 -0.24 2.71 1.09 0.25 -0.76 121.20 125.55 2nxy s ILE 1083Ca 0.09 -0.93 -0.08 0.00 -1.10 0.00 0.00 60.65 58.63 2nxy s ILE 1083Cb -0.11 -1.68 -0.04 0.00 -1.06 0.00 0.00 42.46 39.58 2nxy s ILE 1083CO 0.01 0.53 0.09 0.00 -0.10 0.00 0.00 174.94 175.47 2nxy s GLU 1085N 1.42 3.34 -0.19 0.00 2.02 0.31 -1.00 118.70 124.60 2nxy s GLU 1085Ca 0.06 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 2nxy s GLU 1085Cb -0.15 -3.51 0.05 0.00 0.10 0.00 0.00 34.13 30.62 2nxy s GLU 1085CO 0.05 -0.39 0.49 0.54 0.02 0.00 0.00 175.26 175.96 2nxy s VAL 1086N 1.60 -0.00 -1.45 2.63 0.11 -0.61 -1.95 120.40 120.73 2nxy s VAL 1086Ca 0.04 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.02 2nxy s VAL 1086Cb -0.17 -0.69 0.05 0.00 -1.53 0.00 0.00 36.38 34.05 2nxy s VAL 1086CO 0.05 0.01 0.94 -0.62 -3.33 0.00 0.00 175.10 172.15 2nxy n GLU 1087N 3.16 -5.71 -3.18 1.54 1.02 -1.26 -1.45 120.64 114.76 2nxy n GLU 1087Ca -0.16 0.64 -0.21 0.00 -0.02 0.00 0.00 57.16 57.41 2nxy n GLU 1087Cb 0.56 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.52 2nxy n GLU 1087CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2nxy n ASP 1088N -2.92 -4.07 -4.29 1.62 4.64 -1.26 -4.95 116.55 105.33 2nxy n ASP 1088Ca -0.05 -0.29 -0.15 0.00 -1.38 0.00 0.00 54.79 52.92 2nxy n ASP 1088Cb 0.57 -3.36 -0.10 0.00 -1.04 0.00 0.00 41.12 37.18 2nxy n ASP 1088CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 2nxy s GLN 1089N -5.82 1.26 -0.07 -0.67 -0.21 -0.53 -5.16 119.66 108.45 2nxy s GLN 1089Ca 0.33 -1.64 -0.01 0.00 0.02 0.00 0.00 55.36 54.06 2nxy s GLN 1089Cb -0.17 -0.35 0.03 0.00 1.00 0.00 0.00 33.01 33.52 2nxy s GLN 1089CO 0.40 -0.17 -0.02 0.15 -2.12 0.00 0.00 175.29 173.53 2nxy s LYS 1090N -3.94 0.81 -0.25 2.91 1.02 -1.26 -1.57 119.74 117.47 2nxy s LYS 1090Ca 0.29 0.01 -0.09 0.00 0.02 0.00 0.00 55.97 56.20 2nxy s LYS 1090Cb 0.07 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 2nxy s LYS 1090CO 0.08 -0.26 0.12 -1.21 -0.92 0.00 0.00 175.35 173.16 2nxy s GLU 1091N 1.75 3.86 -0.16 1.68 2.02 -0.17 -4.93 118.70 122.75 2nxy s GLU 1091Ca 0.02 -0.37 -0.05 0.00 0.02 0.00 0.00 54.97 54.59 2nxy s GLU 1091Cb -0.13 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 2nxy s GLU 1091CO -0.05 -0.08 0.01 -2.00 0.02 0.00 0.00 175.26 173.17 2nxy s GLU 1092N 1.39 3.78 -0.04 1.61 2.12 -1.26 -0.51 118.70 125.79 2nxy s GLU 1092Ca 0.06 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 54.97 2nxy s GLU 1092Cb -0.15 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.22 2nxy s GLU 1092CO 0.06 0.29 0.00 0.54 -0.54 0.00 0.00 175.26 175.61 2nxy s VAL 1093N 0.28 0.22 -0.24 3.70 0.11 0.06 -3.35 120.40 121.17 2nxy s VAL 1093Ca 0.00 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 58.98 2nxy s VAL 1093Cb -0.13 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 2nxy s VAL 1093CO 0.02 0.18 0.49 -1.58 -3.33 0.00 0.00 175.10 170.87 2nxy s GLN 1094N 1.28 4.10 -0.21 1.54 0.74 0.16 -0.56 119.66 126.71 2nxy s GLN 1094Ca -0.06 0.30 -0.09 0.00 0.05 0.00 0.00 55.36 55.57 2nxy s GLN 1094Cb -0.13 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.31 2nxy s GLN 1094CO -0.02 -0.28 0.10 -1.17 -0.55 0.00 0.00 175.29 173.37 2nxy s LEU 1095N 2.06 3.91 -0.18 3.68 2.96 0.11 -0.40 118.68 130.83 2nxy s LEU 1095Ca 0.21 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2nxy s LEU 1095Cb -0.16 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.53 2nxy s LEU 1095CO 0.09 0.12 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.31 2nxy s LEU 1096N 0.69 2.28 -0.21 -0.68 2.01 -0.25 -2.30 118.68 120.22 2nxy s LEU 1096Ca 0.05 -0.58 -0.07 0.00 0.01 0.00 0.00 54.13 53.54 2nxy s LEU 1096Cb -0.13 -1.52 -0.03 0.00 0.01 0.00 0.00 46.19 44.52 2nxy s LEU 1096CO 0.01 0.02 0.05 -0.69 1.01 0.00 0.00 176.35 176.76 2nxy s VAL 1097N 1.17 4.48 0.15 -1.59 1.01 -1.26 0.38 120.40 124.73 2nxy s VAL 1097Ca 0.02 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 61.97 2nxy s VAL 1097Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2nxy s VAL 1097CO -0.08 0.41 -0.25 -0.36 0.00 0.00 0.00 175.10 174.82 2nxy s PHE 1098N 0.90 2.26 0.02 5.22 0.08 -0.36 -4.16 117.98 121.94 2nxy s PHE 1098Ca 0.03 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.73 2nxy s PHE 1098Cb -0.14 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.11 2nxy s PHE 1098CO 0.02 0.38 -0.08 0.20 -0.10 0.00 0.00 175.22 175.64 2nxy s GLY 1099N -2.25 0.45 -0.06 4.36 0.00 -0.47 0.30 107.32 109.65 2nxy s GLY 1099Ca 0.16 -0.51 -0.00 0.00 0.00 0.00 0.00 44.72 44.36 2nxy s GLY 1099CO 0.07 -0.50 -0.02 -2.27 0.00 0.00 0.00 173.10 170.39 2nxy s LEU 1100N -0.73 0.92 0.01 0.66 0.20 -1.26 0.11 118.68 118.60 2nxy s LEU 1100Ca -0.01 -0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.73 2nxy s LEU 1100Cb -0.06 -0.45 -0.01 0.00 -0.43 0.00 0.00 46.19 45.24 2nxy s LEU 1100CO 0.00 -0.13 -0.10 0.42 -0.29 0.00 0.00 176.35 176.25 2nxy s THR 1101N 1.52 0.75 0.60 3.68 -4.23 -0.87 -4.97 115.64 112.12 2nxy s THR 1101Ca -0.02 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 59.70 2nxy s THR 1101Cb -0.13 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 2nxy s THR 1101CO -0.03 0.03 1.03 0.00 -0.54 0.00 0.00 174.62 175.10 2nxy s ALA 1102N -0.58 2.97 0.36 3.99 0.00 -1.26 -0.95 121.76 126.28 2nxy s ALA 1102Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2nxy s ALA 1102Cb -0.06 -3.13 0.67 0.00 0.00 0.00 0.00 23.12 20.60 2nxy s ALA 1102CO 0.00 -0.66 1.98 -2.95 0.00 0.00 0.00 175.76 174.13 2nxy h ASN 1103N 0.08 0.61 -4.48 0.00 -1.07 -1.21 -3.44 115.58 106.07 2nxy h ASN 1103Ca -0.45 -0.04 -0.28 0.00 0.07 0.00 0.00 56.30 55.59 2nxy h ASN 1103Cb 1.20 -0.15 -0.17 0.00 -2.07 0.00 0.00 38.32 37.12 2nxy h ASN 1103CO 0.60 0.50 -0.72 -0.94 0.07 0.00 0.00 177.43 176.95 2nxy s SER 1104N -6.60 1.29 0.00 6.14 1.04 -1.26 -5.02 113.70 109.29 2nxy s SER 1104Ca -0.09 -0.84 0.19 0.00 0.48 0.00 0.00 55.95 55.69 2nxy s SER 1104Cb 0.17 0.04 0.29 0.00 0.10 0.00 0.00 66.02 66.62 2nxy s SER 1104CO 0.76 -0.32 1.23 0.47 0.98 0.00 0.00 173.24 176.36 2nxy n ASP 1105N 0.47 2.98 -4.94 7.02 8.00 -1.26 -4.98 116.55 123.84 2nxy n ASP 1105Ca -0.16 -1.88 -0.24 0.00 0.71 0.00 0.00 54.79 53.22 2nxy n ASP 1105Cb 0.58 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 2nxy n ASP 1105CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2nxy s THR 1106N -1.39 5.08 0.34 -3.53 -4.23 -1.26 -5.05 115.64 105.60 2nxy s THR 1106Ca 0.29 -0.36 -0.29 0.00 -1.18 0.00 0.00 61.69 60.15 2nxy s THR 1106Cb 0.18 -3.86 -0.11 0.00 1.34 0.00 0.00 72.50 70.06 2nxy s THR 1106CO 0.25 -0.58 1.37 -1.00 -0.54 0.00 0.00 174.62 174.12 2nxy s HIS 1107N -2.35 2.90 0.26 3.99 3.76 -1.26 -4.83 115.29 117.75 2nxy s HIS 1107Ca 0.41 1.32 0.06 0.00 -0.15 0.00 0.00 55.06 56.71 2nxy s HIS 1107Cb -0.10 -3.80 -0.03 0.00 1.11 0.00 0.00 32.58 29.76 2nxy s HIS 1107CO 0.37 -2.26 0.26 -0.51 -0.85 0.00 0.00 174.74 171.75 2nxy s LEU 1108N -1.84 3.94 0.10 0.89 1.43 0.59 -4.97 118.68 118.82 2nxy s LEU 1108Ca 0.50 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2nxy s LEU 1108Cb -0.42 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 2nxy s LEU 1108CO 0.56 -0.09 0.22 -0.76 0.23 0.00 0.00 176.35 176.51 2nxy s LEU 1109N -3.91 4.25 0.30 1.79 1.02 -1.26 -0.95 118.68 119.93 2nxy s LEU 1109Ca 0.34 0.17 -0.30 0.00 0.02 0.00 0.00 54.13 54.37 2nxy s LEU 1109Cb -0.08 -2.85 -0.12 0.00 0.02 0.00 0.00 46.19 43.16 2nxy s LEU 1109CO 0.26 0.12 1.47 0.00 0.02 0.00 0.00 176.35 178.22 2nxy n GLN 1110N -0.04 2.41 0.00 1.70 6.02 -1.26 -1.58 117.38 124.63 2nxy n GLN 1110Ca -0.06 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 2nxy n GLN 1110Cb 0.52 -2.55 0.00 0.00 1.02 0.00 0.00 30.24 29.23 2nxy n GLN 1110CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nxy n GLY 1111N 1.57 2.03 3.90 1.08 0.00 0.37 -4.92 105.19 109.22 2nxy n GLY 1111Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2nxy n GLY 1111CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nxy s GLN 1112N -0.59 3.29 0.34 1.61 -0.21 -0.62 -4.40 119.66 119.08 2nxy s GLN 1112Ca 0.00 0.28 -0.06 0.00 0.02 0.00 0.00 55.36 55.60 2nxy s GLN 1112Cb 0.00 -2.25 -0.05 0.00 1.00 0.00 0.00 33.01 31.71 2nxy s GLN 1112CO 0.00 -0.52 0.63 -1.12 -2.12 0.00 0.00 175.29 172.16 2nxy s SER 1113N -4.21 6.44 -0.07 5.90 0.01 -1.22 -0.63 113.70 119.92 2nxy s SER 1113Ca 0.52 0.82 0.03 0.00 1.31 0.00 0.00 55.95 58.63 2nxy s SER 1113Cb -0.11 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 63.95 2nxy s SER 1113CO 0.48 -0.29 -0.14 -0.22 0.41 0.00 0.00 173.24 173.48 2nxy s LEU 1114N -3.78 1.70 -0.11 2.44 2.96 -0.63 -4.95 118.68 116.32 2nxy s LEU 1114Ca 0.46 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2nxy s LEU 1114Cb -0.10 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.70 2nxy s LEU 1114CO 0.32 0.05 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.33 2nxy s THR 1115N 0.61 1.67 -0.12 3.68 2.01 -1.26 -0.43 115.64 121.80 2nxy s THR 1115Ca -0.15 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 2nxy s THR 1115Cb -0.16 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 2nxy s THR 1115CO 0.04 0.47 0.01 -0.76 -0.69 0.00 0.00 174.62 173.70 2nxy s LEU 1116N 0.83 3.57 -0.18 4.42 1.43 0.17 -0.55 118.68 128.38 2nxy s LEU 1116Ca -0.09 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2nxy s LEU 1116Cb -0.16 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.23 2nxy s LEU 1116CO 0.00 0.29 -0.18 -0.89 0.23 0.00 0.00 176.35 175.81 2nxy s THR 1117N -0.36 2.28 -0.22 5.49 2.01 -0.13 -0.94 115.64 123.78 2nxy s THR 1117Ca 0.07 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 60.96 2nxy s THR 1117Cb -0.12 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 2nxy s THR 1117CO 0.02 0.52 0.80 -0.22 -0.69 0.00 0.00 174.62 175.05 2nxy s LEU 1118N 1.27 4.11 -0.16 4.42 2.96 0.28 -2.05 118.68 129.51 2nxy s LEU 1118Ca 0.04 1.04 -0.17 0.00 -0.22 0.00 0.00 54.13 54.82 2nxy s LEU 1118Cb -0.13 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2nxy s LEU 1118CO -0.10 -0.45 0.46 -0.70 -1.32 0.00 0.00 176.35 174.23 2nxy s GLU 1119N 2.52 4.27 0.04 1.98 2.12 0.30 -4.88 118.70 125.05 2nxy s GLU 1119Ca 0.35 0.36 -0.03 0.00 0.36 0.00 0.00 54.97 56.02 2nxy s GLU 1119Cb -0.16 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 2nxy s GLU 1119CO 0.09 0.05 0.02 -1.54 -0.54 0.00 0.00 175.26 173.35 2nxy s SER 1120N 0.81 0.30 0.67 -1.70 1.04 -1.26 -1.37 113.70 112.19 2nxy s SER 1120Ca 0.23 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2nxy s SER 1120Cb -0.15 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 2nxy s SER 1120CO 0.09 -0.49 1.05 -2.16 0.98 0.00 0.00 173.24 172.71 2nxy s PRO 1121N -2.78 3.12 0.46 4.02 0.04 -1.26 -5.01 135.00 133.59 2nxy s PRO 1121Ca -0.04 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 61.70 2nxy s PRO 1121Cb -0.00 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2nxy s PRO 1121CO -0.06 -0.95 1.44 -2.14 0.04 0.00 0.00 177.00 175.33 2nxy s PRO 1122N -4.93 3.64 0.00 0.56 0.02 -1.26 -3.20 135.00 129.83 2nxy s PRO 1122Ca 0.58 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.05 2nxy s PRO 1122Cb -0.14 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.75 2nxy s PRO 1122CO 0.52 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2nxy n GLY 1123N 0.57 1.70 3.92 0.52 0.00 -1.26 -5.04 105.19 105.60 2nxy n GLY 1123Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2nxy n GLY 1123CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nxy s SER 1124N -2.38 6.38 -0.35 1.61 1.04 -1.19 -5.07 113.70 113.72 2nxy s SER 1124Ca 0.00 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.76 2nxy s SER 1124Cb 0.00 -1.98 0.14 0.00 0.10 0.00 0.00 66.02 64.28 2nxy s SER 1124CO 0.00 0.08 0.24 -0.55 0.98 0.00 0.00 173.24 173.99 2nxy s SER 1125N -2.80 2.63 0.59 7.02 0.15 -1.26 -4.96 113.70 115.07 2nxy s SER 1125Ca 0.37 -2.07 -0.09 0.00 0.70 0.00 0.00 55.95 54.86 2nxy s SER 1125Cb -0.12 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 2nxy s SER 1125CO 0.28 -0.30 0.95 -2.16 1.20 0.00 0.00 173.24 173.21 2nxy s PRO 1126N 1.14 3.36 -0.10 5.44 0.04 -1.26 -4.92 135.00 138.70 2nxy s PRO 1126Ca 0.18 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 2nxy s PRO 1126Cb -0.22 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2nxy s PRO 1126CO 0.00 -0.56 -0.02 -1.12 0.04 0.00 0.00 177.00 175.35 2nxy s SER 1127N -4.21 5.06 -0.06 6.66 0.01 -0.09 -4.73 113.70 116.34 2nxy s SER 1127Ca 0.53 0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.90 2nxy s SER 1127Cb -0.11 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.60 2nxy s SER 1127CO 0.50 0.32 -0.22 -0.69 0.41 0.00 0.00 173.24 173.56 2nxy s VAL 1128N -0.55 2.31 -0.05 3.43 1.01 -0.75 0.48 120.40 126.30 2nxy s VAL 1128Ca 0.09 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2nxy s VAL 1128Cb -0.12 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2nxy s VAL 1128CO 0.02 0.57 -0.10 -1.58 0.00 0.00 0.00 175.10 174.01 2nxy s GLN 1129N -0.21 1.29 0.04 2.72 0.74 -0.49 -1.58 119.66 122.18 2nxy s GLN 1129Ca -0.02 -0.32 0.05 0.00 0.05 0.00 0.00 55.36 55.12 2nxy s GLN 1129Cb -0.13 -1.14 -0.02 0.00 1.10 0.00 0.00 33.01 32.82 2nxy s GLN 1129CO 0.03 0.04 -0.14 0.00 -0.55 0.00 0.00 175.29 174.67 2nxy s ARG 1131N -1.17 0.83 0.63 0.00 3.52 -0.32 -1.64 118.95 120.79 2nxy s ARG 1131Ca 0.01 -0.12 -0.05 0.00 -0.13 0.00 0.00 55.73 55.44 2nxy s ARG 1131Cb -0.08 -0.82 0.03 0.00 -1.56 0.00 0.00 34.95 32.52 2nxy s ARG 1131CO 0.01 -0.06 0.93 -1.54 -0.81 0.00 0.00 175.30 173.83 2nxy s SER 1132N 0.82 5.23 0.44 -2.12 1.04 -0.68 -1.26 113.70 117.18 2nxy s SER 1132Ca -0.11 0.50 0.21 0.00 0.48 0.00 0.00 55.95 57.03 2nxy s SER 1132Cb -0.14 -1.35 1.18 0.00 0.10 0.00 0.00 66.02 65.81 2nxy s SER 1132CO 0.00 -1.29 1.84 -0.65 0.98 0.00 0.00 173.24 174.12 2nxy h PRO 1133N -0.31 0.31 0.00 4.02 0.11 -1.80 -0.30 132.00 134.04 2nxy h PRO 1133Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2nxy h PRO 1133Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2nxy h PRO 1133CO 0.59 0.20 -0.10 2.89 -0.21 0.00 0.00 178.00 181.37 2nxy n ARG 1134N -4.48 0.01 0.00 1.05 1.85 -1.21 -4.91 116.66 108.98 2nxy n ARG 1134Ca 0.21 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 57.07 2nxy n ARG 1134Cb 0.81 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 2nxy n ARG 1134CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2nxy n GLY 1135N 1.49 0.68 3.66 2.89 0.00 -0.12 -5.06 105.19 108.73 2nxy n GLY 1135Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2nxy n GLY 1135CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nxy s LYS 1136N -0.83 4.13 -0.13 1.61 2.47 -1.26 -4.74 119.74 120.99 2nxy s LYS 1136Ca 0.00 2.61 -0.03 0.00 -1.56 0.00 0.00 55.97 56.99 2nxy s LYS 1136Cb 0.00 -4.17 -0.03 0.00 -1.46 0.00 0.00 37.83 32.17 2nxy s LYS 1136CO 0.00 -0.97 -0.02 -0.80 0.16 0.00 0.00 175.35 173.72 2nxy s ASN 1137N 4.50 4.97 -0.01 1.43 0.02 -1.26 -1.68 114.94 122.91 2nxy s ASN 1137Ca 0.89 -0.03 0.01 0.00 -1.02 0.00 0.00 52.86 52.70 2nxy s ASN 1137Cb -0.43 -1.67 0.00 0.00 0.02 0.00 0.00 41.25 39.17 2nxy s ASN 1137CO 0.42 0.23 -0.04 -0.51 0.02 0.00 0.00 177.10 177.23 2nxy s ILE 1138N -0.03 0.32 0.12 0.60 -1.16 -0.65 -5.01 121.20 115.39 2nxy s ILE 1138Ca 0.02 -0.14 0.07 0.00 -0.51 0.00 0.00 60.65 60.09 2nxy s ILE 1138Cb -0.13 -0.30 -0.04 0.00 0.61 0.00 0.00 42.46 42.61 2nxy s ILE 1138CO 0.02 0.11 -0.17 -1.10 -2.81 0.00 0.00 174.94 171.00 2nxy s GLN 1139N 0.11 1.07 0.00 3.50 -0.21 -1.26 -1.14 119.66 121.74 2nxy s GLN 1139Ca -0.01 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.16 2nxy s GLN 1139Cb -0.04 -1.10 0.00 0.00 1.00 0.00 0.00 33.01 32.87 2nxy s GLN 1139CO -0.00 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.81 2nxy n GLY 1140N 0.72 0.75 0.00 3.09 0.00 -0.62 -4.94 105.19 104.19 2nxy n GLY 1140Ca -0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2nxy n GLY 1140CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxy n GLY 1141N 0.00 0.03 0.16 -0.02 0.00 -1.26 -1.80 105.19 102.30 2nxy n GLY 1141Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2nxy n GLY 1141CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2nxy h LYS 1142N 0.00 0.57 -5.17 1.61 1.63 -1.90 -3.40 116.57 109.91 2nxy h LYS 1142Ca 0.00 -0.77 -0.59 0.00 -0.85 0.00 0.00 60.65 58.45 2nxy h LYS 1142Cb 0.00 0.25 -0.32 0.00 -0.60 0.00 0.00 32.23 31.56 2nxy h LYS 1142CO 0.00 1.34 -0.84 -0.08 -3.45 0.00 0.00 179.45 176.42 2nxy s THR 1143N -2.97 1.55 -0.12 1.00 -1.32 -1.26 -0.56 115.64 111.96 2nxy s THR 1143Ca -0.08 -0.75 0.02 0.00 -1.21 0.00 0.00 61.69 59.66 2nxy s THR 1143Cb 0.06 -1.35 0.01 0.00 -1.51 0.00 0.00 72.50 69.72 2nxy s THR 1143CO 0.92 0.44 -0.17 -0.76 -2.21 0.00 0.00 174.62 172.85 2nxy s LEU 1144N 0.26 1.83 -0.08 9.08 1.02 -0.11 -4.77 118.68 125.90 2nxy s LEU 1144Ca -0.10 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.58 2nxy s LEU 1144Cb -0.14 -1.20 0.02 0.00 0.02 0.00 0.00 46.19 44.89 2nxy s LEU 1144CO 0.04 0.03 -0.10 -0.55 0.02 0.00 0.00 176.35 175.79 2nxy s SER 1145N 0.99 1.85 -0.18 2.29 0.15 -1.26 0.45 113.70 117.99 2nxy s SER 1145Ca -0.06 -0.28 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 2nxy s SER 1145Cb -0.15 -0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 2nxy s SER 1145CO -0.03 -0.03 0.33 -0.69 1.20 0.00 0.00 173.24 174.02 2nxy s VAL 1146N 1.07 5.27 0.04 4.45 1.01 0.43 -4.98 120.40 127.69 2nxy s VAL 1146Ca -0.07 0.60 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 2nxy s VAL 1146Cb -0.14 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 2nxy s VAL 1146CO -0.01 0.33 1.45 -1.28 0.00 0.00 0.00 175.10 175.59 2nxy h SER 1147N 7.00 0.20 -3.27 3.32 0.87 -1.90 -1.67 113.55 118.10 2nxy h SER 1147Ca -0.39 -0.34 -0.42 0.00 -1.23 0.00 0.00 61.79 59.41 2nxy h SER 1147Cb 1.16 -0.05 -0.38 0.00 -0.44 0.00 0.00 62.40 62.69 2nxy h SER 1147CO 0.73 0.49 -0.76 -1.10 -0.53 0.00 0.00 176.83 175.66 2nxy s GLN 1148N -4.86 0.43 0.29 2.24 -0.21 -1.26 -3.38 119.66 112.90 2nxy s GLN 1148Ca -0.14 0.18 -0.29 0.00 0.02 0.00 0.00 55.36 55.13 2nxy s GLN 1148Cb 0.05 -0.85 -0.09 0.00 1.00 0.00 0.00 33.01 33.12 2nxy s GLN 1148CO 0.71 -0.31 1.04 -0.51 -2.12 0.00 0.00 175.29 174.10 2nxy s LEU 1149N 2.02 4.50 0.16 2.90 1.02 0.20 -4.81 118.68 124.67 2nxy s LEU 1149Ca 0.05 2.12 0.03 0.00 0.02 0.00 0.00 54.13 56.35 2nxy s LEU 1149Cb -0.12 -3.73 -0.04 0.00 0.02 0.00 0.00 46.19 42.32 2nxy s LEU 1149CO -0.05 -0.11 0.27 -1.61 0.02 0.00 0.00 176.35 174.87 2nxy s GLU 1150N -1.58 3.37 0.29 1.70 0.41 -1.26 -0.48 118.70 121.15 2nxy s GLU 1150Ca 0.46 -0.65 0.04 0.00 -0.41 0.00 0.00 54.97 54.42 2nxy s GLU 1150Cb -0.28 -2.92 0.70 0.00 -1.78 0.00 0.00 34.13 29.85 2nxy s GLU 1150CO 0.36 0.51 1.77 1.25 -0.49 0.00 0.00 175.26 178.65 2nxy h LEU 1151N 2.12 0.71 0.00 1.80 5.85 -1.92 0.62 115.31 124.49 2nxy h LEU 1151Ca -0.49 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2nxy h LEU 1151Cb 1.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2nxy h LEU 1151CO 0.67 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 179.02 2nxy n GLN 1152N -4.80 0.13 0.00 1.25 3.00 -1.26 -2.00 117.38 113.70 2nxy n GLN 1152Ca 0.22 0.20 0.13 0.00 -0.01 0.00 0.00 57.00 57.54 2nxy n GLN 1152Cb 0.55 -1.50 0.50 0.00 0.00 0.00 0.00 30.24 29.79 2nxy n GLN 1152CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2nxy n ASP 1153N -1.30 0.37 -4.71 1.08 8.00 0.21 -3.32 116.55 116.88 2nxy n ASP 1153Ca 0.05 -0.19 -0.42 0.00 0.71 0.00 0.00 54.79 54.93 2nxy n ASP 1153Cb 0.08 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2nxy n ASP 1153CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2nxy s SER 1154N -2.78 6.85 0.00 -2.24 0.15 -0.85 -4.53 113.70 110.30 2nxy s SER 1154Ca 0.19 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.12 2nxy s SER 1154Cb 0.19 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2nxy s SER 1154CO 0.56 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2nxy n GLY 1155N 3.49 0.76 3.60 9.45 0.00 0.93 -4.82 105.19 118.60 2nxy n GLY 1155Ca 0.11 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 2nxy n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxy s THR 1156N -2.80 5.00 0.19 2.61 2.01 -1.26 -0.01 115.64 121.38 2nxy s THR 1156Ca 0.00 0.82 -0.13 0.00 0.31 0.00 0.00 61.69 62.69 2nxy s THR 1156Cb 0.00 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 2nxy s THR 1156CO 0.00 -0.06 0.57 0.26 -0.69 0.00 0.00 174.62 174.69 2nxy s TRP 1157N 2.47 3.52 -0.21 4.92 0.52 0.78 -4.01 118.94 126.95 2nxy s TRP 1157Ca 0.23 1.01 0.02 0.00 0.02 0.00 0.00 56.10 57.37 2nxy s TRP 1157Cb -0.15 -2.34 0.04 0.00 -1.15 0.00 0.00 33.47 29.86 2nxy s TRP 1157CO 0.11 0.34 -0.15 0.99 0.02 0.00 0.00 176.95 178.27 2nxy s THR 1158N -1.63 1.97 -0.12 2.01 2.01 -0.39 -1.19 115.64 118.30 2nxy s THR 1158Ca 0.43 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2nxy s THR 1158Cb -0.13 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 2nxy s THR 1158CO 0.20 0.27 -0.19 0.00 -0.69 0.00 0.00 174.62 174.20 2nxy s THR 1160N 0.45 4.18 -0.21 0.00 2.01 0.15 -0.52 115.64 121.70 2nxy s THR 1160Ca -0.14 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 2nxy s THR 1160Cb -0.17 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2nxy s THR 1160CO 0.06 0.44 0.11 -0.69 -0.69 0.00 0.00 174.62 173.85 2nxy s VAL 1161N 0.78 5.04 -0.21 3.82 1.01 -0.40 -1.40 120.40 129.04 2nxy s VAL 1161Ca 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 2nxy s VAL 1161Cb -0.14 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2nxy s VAL 1161CO 0.02 0.40 0.01 -0.22 0.00 0.00 0.00 175.10 175.31 2nxy s LEU 1162N 0.74 3.26 -0.14 3.92 0.20 0.18 -1.93 118.68 124.91 2nxy s LEU 1162Ca 0.06 -0.22 -0.07 0.00 0.69 0.00 0.00 54.13 54.58 2nxy s LEU 1162Cb -0.13 -1.84 0.06 0.00 -0.43 0.00 0.00 46.19 43.85 2nxy s LEU 1162CO 0.02 0.04 0.34 -1.58 -0.29 0.00 0.00 176.35 174.87 2nxy s GLN 1163N 1.16 0.30 -1.46 1.98 2.00 0.39 -0.91 119.66 123.13 2nxy s GLN 1163Ca 0.03 0.69 -0.09 0.00 -2.00 0.00 0.00 55.36 53.99 2nxy s GLN 1163Cb -0.14 -0.05 0.05 0.00 0.80 0.00 0.00 33.01 33.67 2nxy s GLN 1163CO 0.01 -0.17 0.88 0.09 -0.50 0.00 0.00 175.29 175.60 2nxy n ASN 1164N 4.33 -3.49 0.00 6.67 4.13 -1.26 -0.63 115.26 125.01 2nxy n ASN 1164Ca -0.23 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.23 2nxy n ASN 1164Cb 0.54 -3.92 0.00 0.00 -1.54 0.00 0.00 39.78 34.86 2nxy n ASN 1164CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2nxy n GLN 1165N -4.55 0.00 -3.59 3.52 1.13 -1.26 -4.96 117.38 107.67 2nxy n GLN 1165Ca -0.08 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.72 2nxy n GLN 1165Cb 0.58 -2.16 -0.02 0.00 0.11 0.00 0.00 30.24 28.75 2nxy n GLN 1165CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2nxy s LYS 1166N 0.00 3.51 0.04 -1.09 -0.14 0.20 -5.11 119.74 117.15 2nxy s LYS 1166Ca 0.00 -0.35 0.01 0.00 -1.36 0.00 0.00 55.97 54.27 2nxy s LYS 1166Cb 0.00 -2.77 -0.03 0.00 -1.68 0.00 0.00 37.83 33.36 2nxy s LYS 1166CO 0.00 0.31 -0.05 -1.59 -0.76 0.00 0.00 175.35 173.25 2nxy s LYS 1167N -3.73 0.48 0.05 1.68 -2.85 -1.26 -0.46 119.74 113.65 2nxy s LYS 1167Ca 0.39 -0.79 0.04 0.00 -1.00 0.00 0.00 55.97 54.60 2nxy s LYS 1167Cb -0.10 -0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.56 2nxy s LYS 1167CO 0.31 -0.01 -0.11 0.54 0.10 0.00 0.00 175.35 176.19 2nxy s VAL 1168N -1.82 0.80 -0.10 1.79 0.11 -0.81 -4.97 120.40 115.40 2nxy s VAL 1168Ca -0.09 -1.14 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 2nxy s VAL 1168Cb -0.07 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2nxy s VAL 1168CO -0.01 -0.28 -0.17 -0.70 -3.33 0.00 0.00 175.10 170.61 2nxy s GLU 1169N -1.57 3.05 -0.08 1.54 2.12 -1.26 -1.27 118.70 121.23 2nxy s GLU 1169Ca -0.06 -0.75 0.03 0.00 0.36 0.00 0.00 54.97 54.55 2nxy s GLU 1169Cb -0.10 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 2nxy s GLU 1169CO 0.01 0.31 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.83 2nxy s PHE 1170N 0.07 2.70 -0.18 5.30 0.08 0.33 -4.98 117.98 121.29 2nxy s PHE 1170Ca -0.07 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 2nxy s PHE 1170Cb -0.15 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2nxy s PHE 1170CO 0.05 -0.04 -0.09 0.15 -0.10 0.00 0.00 175.22 175.19 2nxy s LYS 1171N -0.20 3.36 -0.11 0.44 1.02 -1.26 -0.67 119.74 122.32 2nxy s LYS 1171Ca -0.00 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.34 2nxy s LYS 1171Cb -0.13 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 2nxy s LYS 1171CO 0.03 -0.04 -0.13 0.42 -0.92 0.00 0.00 175.35 174.72 2nxy s ILE 1172N 1.02 1.34 -0.17 2.17 1.01 -0.34 -4.96 121.20 121.27 2nxy s ILE 1172Ca -0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 2nxy s ILE 1172Cb -0.15 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 2nxy s ILE 1172CO -0.01 0.41 0.67 -1.81 0.00 0.00 0.00 174.94 174.21 2nxy s ASP 1173N 1.20 6.78 -0.07 3.58 1.01 -1.26 -0.15 116.67 127.76 2nxy s ASP 1173Ca -0.03 0.95 0.05 0.00 0.71 0.00 0.00 52.55 54.22 2nxy s ASP 1173Cb -0.14 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 2nxy s ASP 1173CO -0.04 -0.27 -0.22 -0.63 0.21 0.00 0.00 175.17 174.22 2nxy s ILE 1174N 1.79 2.36 -0.22 0.77 -1.09 0.99 -4.98 121.20 120.81 2nxy s ILE 1174Ca 0.32 -0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 57.73 2nxy s ILE 1174Cb -0.16 -1.89 -0.02 0.00 -1.58 0.00 0.00 42.46 38.80 2nxy s ILE 1174CO 0.12 0.57 0.02 -0.69 -1.23 0.00 0.00 174.94 173.72 2nxy s VAL 1175N -0.13 3.96 -0.16 2.92 1.01 -1.26 -0.05 120.40 126.70 2nxy s VAL 1175Ca -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2nxy s VAL 1175Cb -0.14 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2nxy s VAL 1175CO 0.04 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.73 2nxy s VAL 1176N 1.29 2.97 0.21 2.92 1.01 -1.26 -0.30 120.40 127.24 2nxy s VAL 1176Ca 0.04 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 2nxy s VAL 1176Cb -0.15 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 2nxy s VAL 1176CO 0.01 0.50 0.91 -0.76 0.00 0.00 0.00 175.10 175.76 2nxy s LEU 1177N 0.74 4.62 0.53 3.92 1.43 -0.12 -4.81 118.68 124.98 2nxy s LEU 1177Ca -0.05 1.86 -0.06 0.00 -1.03 0.00 0.00 54.13 54.85 2nxy s LEU 1177Cb -0.15 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2nxy s LEU 1177CO 0.01 0.15 0.85 0.00 0.23 0.00 0.00 176.35 177.59 2nxy s ALA 1178N -1.03 3.33 0.09 4.21 0.00 -1.26 -4.26 121.76 122.84 2nxy s ALA 1178Ca 0.40 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 2nxy s ALA 1178Cb -0.25 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.21 2nxy s ALA 1178CO 0.30 -0.51 0.26 -0.59 0.00 0.00 0.00 175.76 175.23 2nxy s PHE 1179N -2.87 0.01 -0.27 0.00 -0.12 -1.26 -5.10 117.98 108.38 2nxy s PHE 1179Ca 0.50 -0.36 -0.15 0.00 -0.05 0.00 0.00 56.93 56.88 2nxy s PHE 1179Cb -0.10 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 2nxy s PHE 1179CO 0.46 -0.58 0.36 -1.14 -0.05 0.00 0.00 175.22 174.28 2nxy s GLN 1180N -3.58 4.02 0.00 1.99 -0.44 -1.26 -5.24 119.66 115.14 2nxy s GLN 1180Ca 0.02 0.02 0.24 0.00 -2.50 0.00 0.00 55.36 53.15 2nxy s GLN 1180Cb 0.03 -3.65 0.29 0.00 -1.64 0.00 0.00 33.01 28.04 2nxy s GLN 1180CO -0.10 -0.27 1.32 0.36 0.50 0.00 0.00 175.29 177.10