#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxn s THR 1003N 0.00 3.58 0.26 1.39 -1.32 -0.97 -0.64 115.64 117.94 1lxn s THR 1003Ca 0.00 -0.53 -0.16 0.00 -1.21 0.00 0.00 61.69 59.80 1lxn s THR 1003Cb 0.00 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1lxn s THR 1003CO 0.00 0.60 0.57 0.00 -2.21 0.00 0.00 174.62 173.58 1lxn s ALA 1004N -0.80 -0.59 -0.03 11.08 0.00 -0.15 0.15 121.76 131.43 1lxn s ALA 1004Ca 0.12 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1lxn s ALA 1004Cb -0.11 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1lxn s ALA 1004CO 0.01 -0.92 -0.06 -2.00 0.00 0.00 0.00 175.76 172.79 1lxn s GLU 1005N -3.96 0.79 -0.08 0.00 2.12 -0.31 0.51 118.70 117.77 1lxn s GLU 1005Ca 0.18 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.36 1lxn s GLU 1005Cb -0.03 -0.77 0.01 0.00 0.26 0.00 0.00 34.13 33.60 1lxn s GLU 1005CO 0.08 0.02 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.47 1lxn s LEU 1006N 0.46 1.89 -0.11 2.70 2.96 0.88 -1.31 118.68 126.15 1lxn s LEU 1006Ca -0.06 -0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1lxn s LEU 1006Cb -0.10 -1.14 0.02 0.00 0.50 0.00 0.00 46.19 45.47 1lxn s LEU 1006CO 0.00 0.11 -0.08 0.42 -1.32 0.00 0.00 176.35 175.48 1lxn s THR 1007N 0.46 1.08 -0.26 3.68 -4.23 -0.08 -0.99 115.64 115.30 1lxn s THR 1007Ca -0.16 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1lxn s THR 1007Cb -0.17 -1.08 0.02 0.00 1.34 0.00 0.00 72.50 72.61 1lxn s THR 1007CO 0.06 0.38 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.81 1lxn s VAL 1008N 1.65 3.22 -0.24 2.29 1.01 -1.26 -0.07 120.40 127.00 1lxn s VAL 1008Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1lxn s VAL 1008Cb -0.13 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1lxn s VAL 1008CO -0.08 0.18 -0.11 -0.63 0.00 0.00 0.00 175.10 174.46 1lxn s ILE 1009N 1.39 1.95 0.24 2.22 1.01 0.61 -4.80 121.20 123.82 1lxn s ILE 1009Ca 0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 60.65 58.97 1lxn s ILE 1009Cb -0.17 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 40.16 1lxn s ILE 1009CO -0.02 0.04 1.12 -2.16 0.00 0.00 0.00 174.94 173.91 1lxn s PRO 1010N 1.22 4.61 0.11 2.79 0.04 -1.26 -0.29 135.00 142.21 1lxn s PRO 1010Ca -0.06 1.80 0.08 0.00 0.04 0.00 0.00 61.00 62.86 1lxn s PRO 1010Cb -0.19 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1lxn s PRO 1010CO -0.06 0.13 -0.12 -0.51 0.04 0.00 0.00 177.00 176.48 1lxn s LEU 1011N -1.04 2.96 -1.17 -3.56 1.43 0.14 -4.64 118.68 112.81 1lxn s LEU 1011Ca 0.47 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1lxn s LEU 1011Cb -0.32 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1lxn s LEU 1011CO 0.39 0.18 0.04 0.61 0.23 0.00 0.00 176.35 177.80 1lxn n GLY 1012N 0.72 -0.19 0.00 -3.19 0.00 -1.26 -4.26 105.19 97.00 1lxn n GLY 1012Ca -0.14 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.74 1lxn n GLY 1012CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lxn n THR 1013N -4.02 0.01 -3.40 2.61 -2.24 -1.26 -4.91 114.28 101.07 1lxn n THR 1013Ca -0.16 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.39 1lxn n THR 1013Cb 0.62 -0.51 0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1lxn n THR 1013CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lxn s SER 1015N -3.06 -0.55 0.00 0.00 0.15 -1.26 -5.04 113.70 103.94 1lxn s SER 1015Ca 0.48 0.91 0.30 0.00 0.70 0.00 0.00 55.95 58.35 1lxn s SER 1015Cb -0.22 1.16 1.52 0.00 -1.71 0.00 0.00 66.02 66.77 1lxn s SER 1015CO 0.60 -0.15 2.02 0.35 1.20 0.00 0.00 173.24 177.26 1lxn n THR 1016N 3.47 0.00 -3.40 6.45 -2.24 -1.26 -4.65 114.28 112.65 1lxn n THR 1016Ca -0.17 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1lxn n THR 1016Cb 0.57 -0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.49 1lxn n THR 1016CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1lxn s SER 1017N -2.22 6.15 0.00 3.42 0.01 -1.26 -4.93 113.70 114.87 1lxn s SER 1017Ca 0.38 -0.71 0.15 0.00 1.31 0.00 0.00 55.95 57.08 1lxn s SER 1017Cb 0.21 -2.19 0.29 0.00 0.21 0.00 0.00 66.02 64.54 1lxn s SER 1017CO 0.41 -0.48 1.19 0.18 0.41 0.00 0.00 173.24 174.94 1lxn n LEU 1018N 5.37 2.83 -0.27 2.44 4.77 -1.26 -4.74 117.00 126.14 1lxn n LEU 1018Ca -0.09 -1.58 0.07 0.00 -0.03 0.00 0.00 56.01 54.37 1lxn n LEU 1018Cb 0.48 -0.18 0.21 0.00 -2.33 0.00 0.00 43.42 41.60 1lxn n LEU 1018CO 0.43 0.64 1.02 0.28 -1.33 0.00 0.00 177.39 178.43 1lxn h SER 1019N 2.81 0.28 0.08 -1.43 0.02 -1.99 -1.50 113.55 111.81 1lxn h SER 1019Ca 0.00 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1lxn h SER 1019Cb 0.73 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1lxn h SER 1019CO 0.00 0.08 -0.24 0.28 -1.14 0.00 0.00 176.83 175.81 1lxn h SER 1020N 0.43 0.27 -0.14 3.07 0.02 -1.99 0.53 113.55 115.74 1lxn h SER 1020Ca 0.45 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.23 1lxn h SER 1020Cb 0.73 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1lxn h SER 1020CO -0.44 0.51 -0.26 1.88 -1.14 0.00 0.00 176.83 177.38 1lxn h TYR 1021N 0.25 0.54 -0.69 3.45 0.05 -1.69 -2.01 116.97 116.87 1lxn h TYR 1021Ca 0.04 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 58.58 1lxn h TYR 1021Cb 0.56 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 1lxn h TYR 1021CO 0.01 0.89 0.24 0.28 -1.05 0.00 0.00 178.16 178.52 1lxn h VAL 1022N 0.03 1.25 -0.72 -2.88 2.07 -1.09 -1.93 116.25 112.99 1lxn h VAL 1022Ca 0.01 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1lxn h VAL 1022Cb 0.85 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1lxn h VAL 1022CO 0.06 0.33 0.45 0.00 0.02 0.00 0.00 177.57 178.42 1lxn h ALA 1023N 1.11 0.94 -0.88 1.67 0.00 -0.87 -0.30 119.26 120.93 1lxn h ALA 1023Ca 0.22 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1lxn h ALA 1023Cb 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1lxn h ALA 1023CO -0.01 0.22 0.58 0.00 0.00 0.00 0.00 179.25 180.04 1lxn h ALA 1024N 1.31 1.41 -0.40 0.00 0.00 -0.84 0.11 119.26 120.86 1lxn h ALA 1024Ca 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1lxn h ALA 1024Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1lxn h ALA 1024CO -0.11 0.52 0.07 0.00 0.00 0.00 0.00 179.25 179.73 1lxn h ALA 1025N 1.47 0.53 -0.35 0.00 0.00 -0.41 -2.83 119.26 117.68 1lxn h ALA 1025Ca 0.34 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1lxn h ALA 1025Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1lxn h ALA 1025CO -0.09 0.24 -0.21 0.28 0.00 0.00 0.00 179.25 179.47 1lxn h VAL 1026N 0.51 1.26 -0.47 0.00 2.07 -0.41 -2.52 116.25 116.70 1lxn h VAL 1026Ca 0.12 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1lxn h VAL 1026Cb 0.36 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1lxn h VAL 1026CO 0.01 0.42 0.31 -0.33 0.02 0.00 0.00 177.57 178.00 1lxn h GLU 1027N 0.58 0.59 -0.22 1.57 4.39 -0.65 0.15 114.58 120.99 1lxn h GLU 1027Ca 0.09 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1lxn h GLU 1027Cb 0.67 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1lxn h GLU 1027CO 0.05 0.39 -0.25 0.00 -1.16 0.00 0.00 179.01 178.04 1lxn h ALA 1028N 1.71 1.17 -0.32 3.43 0.00 -1.21 0.75 119.26 124.79 1lxn h ALA 1028Ca 0.18 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1lxn h ALA 1028Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1lxn h ALA 1028CO -0.04 0.53 -0.37 -0.07 0.00 0.00 0.00 179.25 179.30 1lxn h LEU 1029N 0.36 0.78 -0.78 0.00 3.38 -0.65 -2.91 115.31 115.48 1lxn h LEU 1029Ca 0.05 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1lxn h LEU 1029Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1lxn h LEU 1029CO 0.05 1.06 -0.13 0.11 0.09 0.00 0.00 178.44 179.62 1lxn h LYS 1030N 0.61 0.78 0.13 1.13 1.57 -0.09 -3.04 116.57 117.66 1lxn h LYS 1030Ca 0.06 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1lxn h LYS 1030Cb 0.91 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1lxn h LYS 1030CO 0.08 0.87 -0.25 0.87 -0.57 0.00 0.00 179.45 180.46 1lxn h LYS 1031N 0.70 -0.44 -7.44 3.15 1.57 -0.69 -3.39 116.57 110.03 1lxn h LYS 1031Ca 0.11 0.03 -0.43 0.00 -1.87 0.00 0.00 60.65 58.50 1lxn h LYS 1031Cb 0.62 0.10 0.18 0.00 0.08 0.00 0.00 32.23 33.21 1lxn h LYS 1031CO 0.04 -0.29 0.18 -0.51 -0.57 0.00 0.00 179.45 178.30 1lxn s LEU 1032N -10.28 1.10 -0.82 2.94 2.01 -1.14 -4.93 118.68 107.56 1lxn s LEU 1032Ca -0.15 0.70 0.02 0.00 0.01 0.00 0.00 54.13 54.70 1lxn s LEU 1032Cb 0.08 -2.56 0.28 0.00 0.01 0.00 0.00 46.19 44.00 1lxn s LEU 1032CO 0.65 -3.75 1.10 0.59 1.01 0.00 0.00 176.35 175.95 1lxn n ASN 1033N -4.52 5.02 -4.84 2.29 3.02 -1.26 -4.85 115.26 110.11 1lxn n ASN 1033Ca 0.12 -3.46 -0.38 0.00 -0.03 0.00 0.00 54.58 50.83 1lxn n ASN 1033Cb 0.59 -0.92 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 1lxn n ASN 1033CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lxn s VAL 1034N -2.82 5.08 -0.27 2.41 1.01 -1.20 -5.05 120.40 119.56 1lxn s VAL 1034Ca 0.37 0.74 -0.27 0.00 0.00 0.00 0.00 61.98 62.82 1lxn s VAL 1034Cb 0.12 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1lxn s VAL 1034CO 0.02 0.55 0.96 -0.13 0.00 0.00 0.00 175.10 176.50 1lxn s ARG 1035N -1.18 4.15 0.12 2.72 0.52 -1.25 -4.83 118.95 119.20 1lxn s ARG 1035Ca 0.24 1.07 0.02 0.00 -0.52 0.00 0.00 55.73 56.54 1lxn s ARG 1035Cb -0.16 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 1lxn s ARG 1035CO 0.13 -0.67 -0.05 1.52 0.02 0.00 0.00 175.30 176.25 1lxn s TYR 1036N 3.18 0.98 -0.18 -0.53 -0.85 -1.26 -1.78 117.35 116.91 1lxn s TYR 1036Ca 0.40 -0.94 -0.04 0.00 -0.52 0.00 0.00 57.07 55.97 1lxn s TYR 1036Cb -0.14 -0.56 0.08 0.00 0.38 0.00 0.00 41.96 41.72 1lxn s TYR 1036CO 0.09 -0.16 0.23 -2.00 -1.52 0.00 0.00 175.55 172.19 1lxn s GLU 1037N -3.85 0.17 -0.13 -3.49 2.12 0.29 -4.96 118.70 108.84 1lxn s GLU 1037Ca 0.15 0.37 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 1lxn s GLU 1037Cb 0.05 -0.84 -0.02 0.00 0.26 0.00 0.00 34.13 33.58 1lxn s GLU 1037CO -0.02 -0.54 1.30 0.42 -0.54 0.00 0.00 175.26 175.87 1lxn s ILE 1038N 2.35 4.18 0.34 -3.70 1.01 -1.26 -0.01 121.20 124.12 1lxn s ILE 1038Ca 0.06 1.45 0.09 0.00 0.00 0.00 0.00 60.65 62.25 1lxn s ILE 1038Cb -0.15 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1lxn s ILE 1038CO -0.11 -0.10 0.01 -0.94 0.00 0.00 0.00 174.94 173.80 1lxn s SER 1039N 2.03 4.16 0.00 3.58 1.04 -1.26 -4.95 113.70 118.30 1lxn s SER 1039Ca 0.57 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1lxn s SER 1039Cb -0.24 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.36 1lxn s SER 1039CO 0.18 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1lxn n GLY 1040N -0.96 0.00 3.49 7.32 0.00 -1.26 -4.63 105.19 109.15 1lxn n GLY 1040Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1lxn n GLY 1040CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lxn s GLY 1042N 0.40 1.52 -0.22 -0.02 0.00 -1.26 -5.26 107.32 102.48 1lxn s GLY 1042Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.21 1lxn s GLY 1042CO 0.00 0.40 0.27 -1.59 0.00 0.00 0.00 173.10 172.18 1lxn s THR 1043N -2.54 5.29 0.14 0.90 2.01 -0.16 -4.70 115.64 116.58 1lxn s THR 1043Ca 0.68 0.43 -0.25 0.00 0.31 0.00 0.00 61.69 62.87 1lxn s THR 1043Cb -0.21 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1lxn s THR 1043CO 0.62 0.31 0.75 -0.76 -0.69 0.00 0.00 174.62 174.85 1lxn s LEU 1044N 1.10 4.57 0.10 4.42 1.43 0.99 -0.08 118.68 131.20 1lxn s LEU 1044Ca 0.13 1.58 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 1lxn s LEU 1044Cb -0.14 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 1lxn s LEU 1044CO 0.06 0.20 -0.15 -0.76 0.23 0.00 0.00 176.35 175.92 1lxn s LEU 1045N -1.02 2.34 -0.09 1.79 1.43 0.18 -0.55 118.68 122.77 1lxn s LEU 1045Ca 0.35 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1lxn s LEU 1045Cb -0.22 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.44 1lxn s LEU 1045CO 0.25 -0.09 -0.11 -1.61 0.23 0.00 0.00 176.35 175.01 1lxn s GLU 1046N -2.18 1.75 0.07 1.70 2.02 -0.73 -0.97 118.70 120.35 1lxn s GLU 1046Ca 0.04 -0.40 0.05 0.00 0.02 0.00 0.00 54.97 54.68 1lxn s GLU 1046Cb -0.08 -1.54 -0.03 0.00 0.10 0.00 0.00 34.13 32.58 1lxn s GLU 1046CO 0.03 -0.07 -0.14 0.00 0.02 0.00 0.00 175.26 175.10 1lxn s ALA 1047N 1.01 1.19 0.18 5.21 0.00 0.19 -3.82 121.76 125.71 1lxn s ALA 1047Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1lxn s ALA 1047Cb -0.15 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.94 1lxn s ALA 1047CO -0.01 0.16 1.43 0.93 0.00 0.00 0.00 175.76 178.27 1lxn h GLU 1048N 4.23 0.32 -3.32 0.00 4.39 -1.97 0.11 114.58 118.35 1lxn h GLU 1048Ca -0.41 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 58.99 1lxn h GLU 1048Cb 1.19 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.85 1lxn h GLU 1048CO 0.41 0.95 0.08 0.16 -1.16 0.00 0.00 179.01 179.45 1lxn s ASP 1049N -6.96 -0.06 0.22 1.42 3.84 -1.26 -4.69 116.67 109.18 1lxn s ASP 1049Ca -0.05 -0.88 -0.08 0.00 -0.00 0.00 0.00 52.55 51.54 1lxn s ASP 1049Cb 0.10 0.70 0.18 0.00 -1.38 0.00 0.00 42.92 42.52 1lxn s ASP 1049CO 0.83 -1.33 1.83 -0.07 -0.00 0.00 0.00 175.17 176.43 1lxn h LEU 1050N 2.10 1.08 -0.75 2.11 -0.00 -2.00 -2.89 115.31 114.96 1lxn h LEU 1050Ca -0.24 -0.12 0.04 0.00 -0.00 0.00 0.00 57.88 57.55 1lxn h LEU 1050Cb 1.25 -0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 41.58 1lxn h LEU 1050CO 0.32 0.89 0.47 0.44 -0.00 0.00 0.00 178.44 180.56 1lxn h ASP 1051N 1.19 0.77 -0.84 -0.43 3.32 -2.02 -1.97 116.42 116.45 1lxn h ASP 1051Ca 0.29 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 1lxn h ASP 1051Cb 0.08 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1lxn h ASP 1051CO -0.04 0.53 0.40 -0.08 -1.72 0.00 0.00 179.24 178.33 1lxn h GLU 1052N 0.91 1.20 -0.96 3.56 4.81 -1.95 -1.63 114.58 120.52 1lxn h GLU 1052Ca 0.31 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1lxn h GLU 1052Cb 0.04 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1lxn h GLU 1052CO -0.12 0.92 0.00 -0.11 -0.73 0.00 0.00 179.01 178.97 1lxn n LEU 1053N -4.32 0.76 0.00 1.64 7.94 -0.74 -1.81 117.00 120.47 1lxn n LEU 1053Ca 0.08 -0.38 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 1lxn n LEU 1053Cb 0.14 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.89 1lxn n LEU 1053CO 0.40 0.14 0.00 -0.62 -1.11 0.00 0.00 177.39 176.20 1lxn n GLU 1055N 0.54 0.00 -0.22 1.96 -0.58 -0.61 -1.20 120.64 120.52 1lxn n GLU 1055Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1lxn n GLU 1055Cb 0.14 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.04 1lxn n GLU 1055CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lxn h ALA 1056N 0.00 0.80 -0.37 0.62 0.00 -1.61 -1.08 119.26 117.62 1lxn h ALA 1056Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1lxn h ALA 1056Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1lxn h ALA 1056CO 0.00 0.52 0.01 0.28 0.00 0.00 0.00 179.25 180.06 1lxn h VAL 1057N 0.89 1.26 -0.53 0.00 2.07 -1.43 -1.62 116.25 116.89 1lxn h VAL 1057Ca 0.19 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1lxn h VAL 1057Cb 0.37 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1lxn h VAL 1057CO 0.00 0.33 0.29 0.50 0.02 0.00 0.00 177.57 178.71 1lxn h LYS 1058N 0.48 0.74 -0.54 1.57 3.64 -1.78 -1.50 116.57 119.18 1lxn h LYS 1058Ca 0.11 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1lxn h LYS 1058Cb 0.46 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1lxn h LYS 1058CO 0.02 0.57 0.28 0.00 -2.27 0.00 0.00 179.45 178.05 1lxn h ALA 1059N 1.13 0.70 -0.53 5.00 0.00 -1.09 0.12 119.26 124.59 1lxn h ALA 1059Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1lxn h ALA 1059Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1lxn h ALA 1059CO -0.03 0.24 0.25 0.00 0.00 0.00 0.00 179.25 179.71 1lxn h ALA 1060N 1.12 0.68 0.04 0.00 0.00 -1.09 0.04 119.26 120.04 1lxn h ALA 1060Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lxn h ALA 1060Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1lxn h ALA 1060CO -0.03 0.24 -0.02 1.25 0.00 0.00 0.00 179.25 180.69 1lxn h HIS 1061N 0.70 -0.05 -0.70 0.00 6.17 -1.00 -2.85 115.15 117.42 1lxn h HIS 1061Ca 0.18 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.27 1lxn h HIS 1061Cb 0.12 0.02 -0.04 0.00 2.52 0.00 0.00 27.41 30.03 1lxn h HIS 1061CO -0.01 0.13 0.46 0.93 0.71 0.00 0.00 177.93 180.15 1lxn h GLU 1062N -0.22 0.89 -0.83 5.26 4.39 -0.61 -2.30 114.58 121.16 1lxn h GLU 1062Ca -0.01 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1lxn h GLU 1062Cb 0.20 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1lxn h GLU 1062CO 0.01 0.59 0.55 0.00 -1.16 0.00 0.00 179.01 179.00 1lxn h ALA 1063N 1.57 1.43 -0.04 3.43 0.00 -0.76 0.80 119.26 125.70 1lxn h ALA 1063Ca 0.26 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1lxn h ALA 1063Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1lxn h ALA 1063CO -0.06 0.52 -0.74 0.28 0.00 0.00 0.00 179.25 179.24 1lxn h VAL 1064N 1.10 1.43 -0.19 0.00 2.07 -1.25 -0.87 116.25 118.54 1lxn h VAL 1064Ca 0.31 -2.29 -0.05 0.00 0.82 0.00 0.00 66.70 65.49 1lxn h VAL 1064Cb -0.09 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1lxn h VAL 1064CO -0.07 0.67 -0.07 -0.07 0.02 0.00 0.00 177.57 178.05 1lxn h LEU 1065N 0.16 0.40 -1.74 2.57 3.38 -1.05 -2.77 115.31 116.26 1lxn h LEU 1065Ca -0.03 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1lxn h LEU 1065Cb 1.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1lxn h LEU 1065CO 0.12 0.70 -0.10 1.56 0.09 0.00 0.00 178.44 180.80 1lxn h GLN 1066N 0.10 0.00 0.00 1.13 4.20 -0.77 -1.51 115.11 118.26 1lxn h GLN 1066Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1lxn h GLN 1066Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1lxn h GLN 1066CO 0.02 0.10 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 1lxn n ALA 1067N -2.20 1.79 0.00 3.87 0.00 -0.34 -4.85 120.51 118.77 1lxn n ALA 1067Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1lxn n ALA 1067Cb 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1lxn n ALA 1067CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lxn n GLY 1068N 0.27 0.52 3.74 0.00 0.00 -0.57 -5.08 105.19 104.06 1lxn n GLY 1068Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1lxn n GLY 1068CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lxn s SER 1069N -0.35 7.55 0.00 1.61 0.15 -1.07 -4.94 113.70 116.66 1lxn s SER 1069Ca 0.00 1.84 0.23 0.00 0.70 0.00 0.00 55.95 58.72 1lxn s SER 1069Cb 0.00 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 1lxn s SER 1069CO 0.00 0.05 1.16 0.47 1.20 0.00 0.00 173.24 176.12 1lxn n ASP 1070N 2.18 2.49 -3.45 5.45 8.00 -1.26 -4.52 116.55 125.43 1lxn n ASP 1070Ca -0.00 -1.74 -0.10 0.00 0.71 0.00 0.00 54.79 53.66 1lxn n ASP 1070Cb 0.48 0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.73 1lxn n ASP 1070CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1lxn s ARG 1071N -2.21 0.31 -0.12 -1.24 3.52 -1.26 -5.07 118.95 112.89 1lxn s ARG 1071Ca 0.23 0.64 0.03 0.00 -0.13 0.00 0.00 55.73 56.49 1lxn s ARG 1071Cb 0.19 -0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 1lxn s ARG 1071CO 0.43 -0.53 -0.21 0.08 -0.81 0.00 0.00 175.30 174.26 1lxn s VAL 1072N 2.53 2.21 -0.39 7.11 1.01 -1.26 0.28 120.40 131.90 1lxn s VAL 1072Ca 0.08 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1lxn s VAL 1072Cb -0.14 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.40 1lxn s VAL 1072CO -0.14 0.55 0.22 -0.47 0.00 0.00 0.00 175.10 175.26 1lxn s TYR 1073N 0.55 3.26 -0.07 5.22 5.04 0.60 -4.95 117.35 127.01 1lxn s TYR 1073Ca -0.13 -1.10 0.02 0.00 -2.44 0.00 0.00 57.07 53.42 1lxn s TYR 1073Cb -0.17 -2.57 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 1lxn s TYR 1073CO 0.04 -0.70 -0.10 0.99 -1.34 0.00 0.00 175.55 174.43 1lxn s THR 1074N 1.52 3.39 -0.06 4.34 2.01 -1.26 -0.28 115.64 125.29 1lxn s THR 1074Ca 0.02 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1lxn s THR 1074Cb -0.20 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1lxn s THR 1074CO 0.06 0.58 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.49 1lxn s THR 1075N -0.58 1.60 -0.07 -0.82 2.01 0.90 -4.99 115.64 113.69 1lxn s THR 1075Ca 0.08 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1lxn s THR 1075Cb -0.12 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1lxn s THR 1075CO 0.02 0.46 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.11 1lxn s LEU 1076N 0.22 1.36 -0.13 4.42 2.96 -1.26 -0.90 118.68 125.35 1lxn s LEU 1076Ca -0.10 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1lxn s LEU 1076Cb -0.14 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1lxn s LEU 1076CO 0.04 -0.04 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.35 1lxn s LYS 1077N 1.06 3.35 -0.12 1.98 1.02 -0.43 -4.98 119.74 121.62 1lxn s LYS 1077Ca -0.08 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.23 1lxn s LYS 1077Cb -0.14 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1lxn s LYS 1077CO -0.01 0.18 -0.19 0.42 -0.92 0.00 0.00 175.35 174.84 1lxn s ILE 1078N 0.42 1.77 -0.41 2.17 1.01 -1.26 -1.17 121.20 123.73 1lxn s ILE 1078Ca -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1lxn s ILE 1078Cb -0.16 -1.58 0.11 0.00 0.01 0.00 0.00 42.46 40.84 1lxn s ILE 1078CO 0.05 0.49 0.20 -0.62 0.00 0.00 0.00 174.94 175.07 1lxn s ASP 1079N 0.85 5.23 -0.62 3.58 2.15 0.12 -5.00 116.67 122.98 1lxn s ASP 1079Ca -0.08 -2.06 -0.11 0.00 0.43 0.00 0.00 52.55 50.73 1lxn s ASP 1079Cb -0.15 -1.82 0.16 0.00 -0.30 0.00 0.00 42.92 40.81 1lxn s ASP 1079CO -0.01 -0.53 0.53 -0.62 -0.17 0.00 0.00 175.17 174.37 1lxn s ASP 1080N 1.76 6.07 -0.25 -0.34 -1.08 -1.26 -2.30 116.67 119.25 1lxn s ASP 1080Ca 0.09 -2.28 -0.08 0.00 -0.52 0.00 0.00 52.55 49.76 1lxn s ASP 1080Cb -0.23 -2.09 -0.03 0.00 -1.46 0.00 0.00 42.92 39.11 1lxn s ASP 1080CO -0.04 -0.64 0.10 -0.60 0.52 0.00 0.00 175.17 174.50 1lxn s ARG 1081N 0.82 3.74 -0.01 4.34 3.52 -1.26 -4.99 118.95 125.11 1lxn s ARG 1081Ca 0.11 -0.43 0.21 0.00 -0.13 0.00 0.00 55.73 55.49 1lxn s ARG 1081Cb -0.21 -3.40 -0.28 0.00 -1.56 0.00 0.00 34.95 29.49 1lxn s ARG 1081CO -0.03 -0.17 0.70 0.54 -0.81 0.00 0.00 175.30 175.53 1lxn n ARG 1082N 4.89 0.32 -0.31 5.12 5.12 -1.26 -4.36 116.66 126.19 1lxn n ARG 1082Ca -0.16 -0.09 0.10 0.00 -1.93 0.00 0.00 57.85 55.77 1lxn n ARG 1082Cb 0.52 -1.51 0.27 0.00 -1.16 0.00 0.00 32.46 30.58 1lxn n ARG 1082CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1lxn n ASP 1083N -1.86 3.31 -3.54 0.55 5.75 -1.26 -4.90 116.55 114.60 1lxn n ASP 1083Ca 0.00 -2.00 -0.16 0.00 -0.01 0.00 0.00 54.79 52.62 1lxn n ASP 1083Cb 0.44 -0.41 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 1lxn n ASP 1083CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lxn s ALA 1084N -1.18 -1.81 -0.48 2.12 0.00 -1.26 -5.12 121.76 114.03 1lxn s ALA 1084Ca 0.41 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.62 1lxn s ALA 1084Cb 0.22 -0.20 0.08 0.00 0.00 0.00 0.00 23.12 23.22 1lxn s ALA 1084CO 0.28 -0.35 0.40 0.34 0.00 0.00 0.00 175.76 176.42 1lxn s ASP 1085N -1.16 6.09 -0.16 0.00 2.15 -1.26 -4.83 116.67 117.50 1lxn s ASP 1085Ca -0.08 -1.43 -0.01 0.00 0.43 0.00 0.00 52.55 51.46 1lxn s ASP 1085Cb -0.00 -2.16 0.04 0.00 -0.30 0.00 0.00 42.92 40.50 1lxn s ASP 1085CO 0.08 -0.67 -0.06 -0.13 -0.17 0.00 0.00 175.17 174.22 1lxn s ARG 1086N 1.60 1.44 0.78 4.34 1.81 -1.26 -5.06 118.95 122.60 1lxn s ARG 1086Ca 0.04 -0.46 -0.03 0.00 -1.72 0.00 0.00 55.73 53.55 1lxn s ARG 1086Cb -0.25 -1.92 0.16 0.00 -0.45 0.00 0.00 34.95 32.48 1lxn s ARG 1086CO 0.05 -0.40 1.06 0.41 -0.68 0.00 0.00 175.30 175.75 1lxn n GLY 1087N 4.89 0.24 0.16 -3.53 0.00 -1.26 -4.73 105.19 100.96 1lxn n GLY 1087Ca -0.12 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 1lxn n GLY 1087CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lxn h LEU 1088N 0.00 0.27 -0.68 0.99 3.38 -1.96 -1.79 115.31 115.52 1lxn h LEU 1088Ca -0.35 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1lxn h LEU 1088Cb 1.22 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1lxn h LEU 1088CO 0.35 0.20 0.40 -0.09 0.09 0.00 0.00 178.44 179.39 1lxn h ARG 1089N 0.38 0.92 -0.53 1.13 2.43 -1.99 -1.85 114.38 114.86 1lxn h ARG 1089Ca 0.15 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1lxn h ARG 1089Cb 0.06 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1lxn h ARG 1089CO -0.11 0.66 0.30 -0.44 -1.51 0.00 0.00 179.97 178.87 1lxn h ASP 1090N 0.92 0.47 -0.65 -3.80 3.45 -1.82 0.10 116.42 115.08 1lxn h ASP 1090Ca 0.24 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.67 1lxn h ASP 1090Cb -0.02 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 38.64 1lxn h ASP 1090CO -0.04 0.32 0.24 0.11 -1.57 0.00 0.00 179.24 178.30 1lxn h LYS 1091N 0.59 0.99 0.14 3.56 1.57 -0.99 -0.79 116.57 121.64 1lxn h LYS 1091Ca 0.22 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1lxn h LYS 1091Cb 0.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1lxn h LYS 1091CO -0.12 0.85 -0.07 0.28 -0.57 0.00 0.00 179.45 179.82 1lxn h VAL 1092N 0.93 0.96 -0.63 0.50 2.07 -0.92 -2.86 116.25 116.31 1lxn h VAL 1092Ca 0.21 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1lxn h VAL 1092Cb 0.24 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1lxn h VAL 1092CO -0.01 0.10 0.42 -0.33 0.02 0.00 0.00 177.57 177.76 1lxn h GLU 1093N -0.38 0.83 -0.74 1.57 4.39 -0.85 -1.72 114.58 117.69 1lxn h GLU 1093Ca -0.02 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1lxn h GLU 1093Cb 0.30 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1lxn h GLU 1093CO 0.03 0.55 0.30 0.77 -1.16 0.00 0.00 179.01 179.51 1lxn h SER 1094N 0.86 1.00 0.01 1.42 0.02 -1.06 -0.93 113.55 114.86 1lxn h SER 1094Ca 0.23 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1lxn h SER 1094Cb -0.10 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.19 1lxn h SER 1094CO -0.05 0.88 -0.01 0.58 -1.14 0.00 0.00 176.83 177.09 1lxn h VAL 1095N 1.06 1.34 -0.92 2.27 2.07 -1.19 -3.12 116.25 117.76 1lxn h VAL 1095Ca 0.25 -1.09 0.10 0.00 0.82 0.00 0.00 66.70 66.77 1lxn h VAL 1095Cb 0.19 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 1lxn h VAL 1095CO -0.02 0.28 0.57 0.11 0.02 0.00 0.00 177.57 178.52 1lxn h LYS 1096N -0.49 0.92 0.00 1.57 1.57 -1.16 -1.09 116.57 117.89 1lxn h LYS 1096Ca -0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1lxn h LYS 1096Cb 0.47 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1lxn h LYS 1096CO 0.00 0.61 -0.08 1.49 -0.57 0.00 0.00 179.45 180.90 1lxn h GLU 1097N 0.95 0.00 0.00 3.15 4.22 -1.19 -1.95 114.58 119.75 1lxn h GLU 1097Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.88 1lxn h GLU 1097Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1lxn h GLU 1097CO -0.24 0.08 -0.55 1.63 -2.18 0.00 0.00 179.01 177.76 1lxn n LYS 1098N -3.97 0.23 0.00 1.92 4.76 -0.44 -5.11 118.16 115.55 1lxn n LYS 1098Ca -0.02 0.07 0.15 0.00 -2.87 0.00 0.00 58.31 55.64 1lxn n LYS 1098Cb 0.17 -1.65 0.84 0.00 -1.84 0.00 0.00 35.03 32.55 1lxn n LYS 1098CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14