#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lql s PHE 997 N 0.00 3.18 0.42 2.98 0.08 -1.26 -5.09 117.98 118.29 1lql s PHE 997 Ca 0.00 -0.10 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 1lql s PHE 997 Cb 0.00 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.20 1lql s PHE 997 CO 0.00 -0.10 0.73 -0.65 -0.10 0.00 0.00 175.22 175.10 1lql s GLN 998 N 1.12 3.63 0.55 0.44 -1.52 -1.26 -5.10 119.66 117.53 1lql s GLN 998 Ca 0.05 0.23 -0.09 0.00 -1.95 0.00 0.00 55.36 53.60 1lql s GLN 998 Cb -0.14 -2.44 0.13 0.00 -0.22 0.00 0.00 33.01 30.34 1lql s GLN 998 CO 0.04 -0.06 0.58 0.41 -0.25 0.00 0.00 175.29 176.00 1lql n GLY 999 N -1.70 -2.12 3.25 3.09 0.00 -1.26 -5.10 105.19 101.34 1lql n GLY 999 Ca 0.01 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1lql n GLY 999 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lql s HIS 1000N -2.13 -0.58 -1.09 1.61 2.46 -1.26 -5.07 115.29 109.23 1lql s HIS 1000Ca 0.35 1.24 -0.22 0.00 0.47 0.00 0.00 55.06 56.90 1lql s HIS 1000Cb -0.02 0.24 0.03 0.00 -0.13 0.00 0.00 32.58 32.70 1lql s HIS 1000CO 0.26 -0.33 1.62 -1.64 -2.47 0.00 0.00 174.74 172.18 1lql s MET 1001N 1.41 3.50 0.20 2.88 -1.94 -1.26 -4.81 119.30 119.28 1lql s MET 1001Ca -0.09 -1.26 -0.05 0.00 -1.71 0.00 0.00 55.69 52.57 1lql s MET 1001Cb -0.09 -5.36 0.14 0.00 2.01 0.00 0.00 34.83 31.53 1lql s MET 1001CO -0.12 -2.48 1.58 -0.44 -0.01 0.00 0.00 175.02 173.55 1lql h ASP 1002N 9.37 0.80 -3.56 3.03 3.32 -2.06 -3.43 116.42 123.89 1lql h ASP 1002Ca 0.26 -0.32 -0.63 0.00 0.02 0.00 0.00 57.03 56.36 1lql h ASP 1002Cb 0.97 -0.22 -0.17 0.00 0.22 0.00 0.00 39.33 40.13 1lql h ASP 1002CO 1.40 1.04 -0.55 -0.54 -1.72 0.00 0.00 179.24 178.87 1lql s LYS 1003N -4.48 3.95 0.23 3.56 -0.14 -1.26 -5.08 119.74 116.52 1lql s LYS 1003Ca -0.09 -0.34 0.09 0.00 -1.36 0.00 0.00 55.97 54.27 1lql s LYS 1003Cb 0.12 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.80 1lql s LYS 1003CO 0.84 0.04 -0.04 0.15 -0.76 0.00 0.00 175.35 175.58 1lql s LYS 1004N 1.08 2.22 -0.04 1.68 -0.14 -1.26 -5.14 119.74 118.13 1lql s LYS 1004Ca 0.06 -1.36 -0.05 0.00 -1.36 0.00 0.00 55.97 53.27 1lql s LYS 1004Cb -0.14 -2.17 0.01 0.00 -1.68 0.00 0.00 37.83 33.86 1lql s LYS 1004CO 0.04 0.39 0.13 0.71 -0.76 0.00 0.00 175.35 175.86 1lql s TYR 1005N -2.10 -0.11 -0.06 3.18 2.02 -1.26 -5.15 117.35 113.86 1lql s TYR 1005Ca 0.29 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 1lql s TYR 1005Cb -0.07 0.03 0.02 0.00 -0.40 0.00 0.00 41.96 41.54 1lql s TYR 1005CO 0.18 -0.10 -0.05 0.34 -1.57 0.00 0.00 175.55 174.35 1lql s ASP 1006N -0.13 1.41 0.01 2.29 -1.08 -1.26 -5.14 116.67 112.77 1lql s ASP 1006Ca -0.02 -0.18 -0.00 0.00 -0.52 0.00 0.00 52.55 51.83 1lql s ASP 1006Cb -0.02 -0.57 -0.01 0.00 -1.46 0.00 0.00 42.92 40.86 1lql s ASP 1006CO 0.00 -0.08 -0.01 -0.51 0.52 0.00 0.00 175.17 175.10 1lql s ILE 1007N 1.21 0.05 -0.07 4.11 1.10 -1.26 -4.64 121.20 121.70 1lql s ILE 1007Ca -0.06 -0.42 -0.00 0.00 -0.51 0.00 0.00 60.65 59.66 1lql s ILE 1007Cb -0.14 -0.13 0.02 0.00 0.15 0.00 0.00 42.46 42.36 1lql s ILE 1007CO -0.02 -0.23 -0.03 0.42 -2.11 0.00 0.00 174.94 172.97 1lql s THR 1008N -0.67 0.55 -0.17 4.00 -4.23 -1.03 -5.00 115.64 109.09 1lql s THR 1008Ca -0.07 -0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1lql s THR 1008Cb -0.05 -0.63 -0.02 0.00 1.34 0.00 0.00 72.50 73.14 1lql s THR 1008CO -0.00 0.27 -0.05 0.00 -0.54 0.00 0.00 174.62 174.29 1lql s ALA 1009N 1.49 2.91 -0.09 3.99 0.00 -1.26 -0.77 121.76 128.03 1lql s ALA 1009Ca -0.02 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1lql s ALA 1009Cb -0.13 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 1lql s ALA 1009CO -0.03 0.09 -0.13 0.08 0.00 0.00 0.00 175.76 175.76 1lql s VAL 1010N 0.59 3.10 -0.39 0.00 1.01 -0.62 -4.94 120.40 119.14 1lql s VAL 1010Ca -0.03 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 1lql s VAL 1010Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1lql s VAL 1010CO 0.03 0.56 0.74 -0.22 0.00 0.00 0.00 175.10 176.21 1lql s LEU 1011N -0.27 4.21 0.70 3.92 2.96 -1.26 -1.09 118.68 127.85 1lql s LEU 1011Ca 0.02 0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1lql s LEU 1011Cb -0.13 -2.94 0.08 0.00 0.50 0.00 0.00 46.19 43.71 1lql s LEU 1011CO 0.03 -0.76 0.99 0.20 -1.32 0.00 0.00 176.35 175.49 1lql s ASN 1012N 1.92 4.63 1.33 3.68 0.01 0.15 -5.00 114.94 121.66 1lql s ASN 1012Ca 0.29 0.14 -0.21 0.00 -0.71 0.00 0.00 52.86 52.37 1lql s ASN 1012Cb -0.13 -0.72 0.33 0.00 0.41 0.00 0.00 41.25 41.14 1lql s ASN 1012CO 0.18 -1.67 1.01 -1.61 -1.51 0.00 0.00 177.10 173.50 1lql s GLU 1013N -5.18 -2.18 -1.63 -0.60 2.02 -1.26 -3.15 118.70 106.72 1lql s GLU 1013Ca 0.62 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.66 1lql s GLU 1013Cb -0.09 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.67 1lql s GLU 1013CO 0.44 -4.37 0.00 -0.40 0.02 0.00 0.00 175.26 170.95 1lql n ASP 1014N -5.25 -4.51 -0.44 -0.19 5.68 -1.26 -3.21 116.55 107.37 1lql n ASP 1014Ca 0.13 0.30 -0.04 0.00 -0.50 0.00 0.00 54.79 54.68 1lql n ASP 1014Cb 0.60 -3.98 -0.02 0.00 -1.14 0.00 0.00 41.12 36.58 1lql n ASP 1014CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1lql n SER 1015N -1.22 -3.33 -4.89 -1.12 3.41 -1.19 -4.96 113.62 100.33 1lql n SER 1015Ca -0.17 0.10 -0.31 0.00 -0.26 0.00 0.00 58.87 58.22 1lql n SER 1015Cb 0.58 -2.47 -0.05 0.00 -0.26 0.00 0.00 64.21 62.01 1lql n SER 1015CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1lql s SER 1016N -1.42 6.56 0.29 4.04 1.04 -1.20 -4.53 113.70 118.48 1lql s SER 1016Ca 0.00 0.80 0.09 0.00 0.48 0.00 0.00 55.95 57.32 1lql s SER 1016Cb 0.00 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 1lql s SER 1016CO 0.00 -0.06 0.04 -0.04 0.98 0.00 0.00 173.24 174.16 1lql s MET 1017N -2.90 2.35 -0.11 4.02 -1.94 0.37 -0.68 119.30 120.42 1lql s MET 1017Ca 0.45 -1.44 -0.03 0.00 -1.71 0.00 0.00 55.69 52.96 1lql s MET 1017Cb -0.11 -2.18 0.05 0.00 2.01 0.00 0.00 34.83 34.60 1lql s MET 1017CO 0.23 0.30 0.13 0.95 -0.01 0.00 0.00 175.02 176.63 1lql s THR 1018N -2.34 -0.20 -0.10 2.05 -4.23 -0.25 -0.10 115.64 110.46 1lql s THR 1018Ca 0.33 0.21 -0.10 0.00 -1.18 0.00 0.00 61.69 60.95 1lql s THR 1018Cb -0.05 -0.36 -0.05 0.00 1.34 0.00 0.00 72.50 73.38 1lql s THR 1018CO 0.21 0.03 0.23 0.00 -0.54 0.00 0.00 174.62 174.55 1lql s ALA 1019N 2.24 3.77 -0.09 3.99 0.00 -0.03 -1.59 121.76 130.05 1lql s ALA 1019Ca 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1lql s ALA 1019Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1lql s ALA 1019CO -0.07 0.46 -0.17 0.42 0.00 0.00 0.00 175.76 176.40 1lql s ILE 1020N -0.68 2.71 -0.07 0.00 1.09 0.05 -1.48 121.20 122.82 1lql s ILE 1020Ca 0.17 -0.81 -0.02 0.00 -1.10 0.00 0.00 60.65 58.88 1lql s ILE 1020Cb -0.13 -2.07 0.04 0.00 -1.06 0.00 0.00 42.46 39.23 1lql s ILE 1020CO 0.06 0.56 0.05 -0.55 -0.10 0.00 0.00 174.94 174.96 1lql s SER 1021N -0.05 1.47 0.82 3.58 0.15 0.17 -2.47 113.70 117.36 1lql s SER 1021Ca -0.04 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1lql s SER 1021Cb -0.14 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1lql s SER 1021CO 0.04 -0.26 0.00 0.47 1.20 0.00 0.00 173.24 174.69 1lql n ASP 1022N 5.26 0.00 -1.83 5.45 9.92 -1.26 -0.23 116.55 133.86 1lql n ASP 1022Ca -0.05 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.08 1lql n ASP 1022Cb 0.50 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 41.14 1lql n ASP 1022CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lql n GLN 1023N 14.00 2.25 -4.62 -1.24 6.02 -1.26 -4.91 117.38 127.63 1lql n GLN 1023Ca 0.00 -2.21 -0.26 0.00 -0.01 0.00 0.00 57.00 54.52 1lql n GLN 1023Cb 0.00 -1.89 -0.14 0.00 1.02 0.00 0.00 30.24 29.23 1lql n GLN 1023CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1lql s PHE 1024N -2.38 1.89 -0.01 1.08 0.08 0.68 -5.14 117.98 114.17 1lql s PHE 1024Ca 0.41 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 57.11 1lql s PHE 1024Cb 0.34 -1.11 -0.00 0.00 -0.57 0.00 0.00 43.02 41.68 1lql s PHE 1024CO 0.09 0.12 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.58 1lql s GLN 1025N -1.32 0.88 -0.03 0.44 -0.21 -1.26 -0.66 119.66 117.51 1lql s GLN 1025Ca 0.08 -0.35 0.04 0.00 0.02 0.00 0.00 55.36 55.15 1lql s GLN 1025Cb -0.09 -0.84 -0.00 0.00 1.00 0.00 0.00 33.01 33.07 1lql s GLN 1025CO 0.02 0.19 -0.13 0.42 -2.12 0.00 0.00 175.29 173.67 1lql s ILE 1026N -0.10 1.06 -0.26 1.08 1.09 -0.55 -4.99 121.20 118.54 1lql s ILE 1026Ca 0.02 -0.53 -0.11 0.00 -1.10 0.00 0.00 60.65 58.92 1lql s ILE 1026Cb -0.06 -0.92 -0.05 0.00 -1.06 0.00 0.00 42.46 40.38 1lql s ILE 1026CO -0.00 0.31 0.18 0.42 -0.10 0.00 0.00 174.94 175.75 1lql s THR 1027N -0.01 5.33 0.05 2.92 -4.23 -1.26 -0.85 115.64 117.60 1lql s THR 1027Ca -0.01 0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.76 1lql s THR 1027Cb -0.08 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 1lql s THR 1027CO 0.01 0.30 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.51 1lql s LEU 1028N 1.37 2.96 -0.08 4.79 1.02 0.86 -3.29 118.68 126.30 1lql s LEU 1028Ca 0.08 -0.32 -0.07 0.00 0.02 0.00 0.00 54.13 53.85 1lql s LEU 1028Cb -0.15 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.35 1lql s LEU 1028CO 0.07 0.24 0.20 -0.62 0.02 0.00 0.00 176.35 176.26 1lql s ASP 1029N -1.71 -0.21 0.00 2.29 -1.08 -0.45 0.14 116.67 115.65 1lql s ASP 1029Ca 0.18 0.41 0.26 0.00 -0.52 0.00 0.00 52.55 52.88 1lql s ASP 1029Cb -0.11 0.40 0.55 0.00 -1.46 0.00 0.00 42.92 42.31 1lql s ASP 1029CO 0.09 -0.08 1.47 0.00 0.52 0.00 0.00 175.17 177.16 1lql n ALA 1030N 3.17 2.52 -1.77 3.66 0.00 -1.26 -3.62 120.51 123.21 1lql n ALA 1030Ca -0.15 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.31 1lql n ALA 1030Cb 0.58 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 1lql n ALA 1030CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1lql s ARG 1031N -2.00 4.27 -0.85 0.00 1.81 -1.26 -4.89 118.95 116.03 1lql s ARG 1031Ca 0.32 1.95 -0.26 0.00 -1.72 0.00 0.00 55.73 56.02 1lql s ARG 1031Cb 0.20 -2.91 -0.21 0.00 -0.45 0.00 0.00 34.95 31.59 1lql s ARG 1031CO 0.32 -0.16 1.93 -2.30 -0.68 0.00 0.00 175.30 174.40 1lql n PRO 1032N 0.53 0.75 0.00 3.54 -0.02 -1.26 -4.30 135.00 134.24 1lql n PRO 1032Ca 0.02 -1.81 0.00 0.00 -2.02 0.00 0.00 63.50 59.69 1lql n PRO 1032Cb 0.45 -3.43 0.00 0.00 -0.02 0.00 0.00 33.50 30.50 1lql n PRO 1032CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1lql n LYS 1033N 7.97 0.00 0.00 -0.52 5.02 -1.26 -4.50 118.16 124.87 1lql n LYS 1033Ca 0.45 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1lql n LYS 1033Cb 0.45 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1lql n LYS 1033CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1lql n HIS 1034N -0.21 0.00 -0.13 2.13 8.25 -1.26 -4.45 115.22 119.54 1lql n HIS 1034Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1lql n HIS 1034Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1lql n HIS 1034CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1lql h THR 1035N 0.00 0.00 0.00 1.59 2.02 -1.88 -3.44 112.91 111.20 1lql h THR 1035Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1lql h THR 1035Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1lql h THR 1035CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1lql n ALA 1036N -2.99 0.00 0.00 6.16 0.00 -1.26 -5.04 120.51 117.37 1lql n ALA 1036Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1lql n ALA 1036Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1lql n ALA 1036CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lql n LYS 1037N 0.00 0.00 0.00 0.00 5.02 -1.26 -4.97 118.16 116.95 1lql n LYS 1037Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1lql n LYS 1037Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1lql n LYS 1037CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lql n GLY 1038N 0.00 -0.18 3.46 0.72 0.00 -1.25 -4.73 105.19 103.21 1lql n GLY 1038Ca 0.00 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 1lql n GLY 1038CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1lql n PHE 1039N -0.37 -0.41 -2.59 1.61 0.99 -1.21 -3.48 117.46 112.00 1lql n PHE 1039Ca 0.00 0.59 -0.34 0.00 -0.00 0.00 0.00 57.45 57.69 1lql n PHE 1039Cb 0.00 -2.00 -0.04 0.00 -1.00 0.00 0.00 39.48 36.44 1lql n PHE 1039CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1lql s GLY 1040N -0.95 2.54 0.23 1.37 0.00 -1.24 -1.34 107.32 107.93 1lql s GLY 1040Ca 0.64 0.59 -0.16 0.00 0.00 0.00 0.00 44.72 45.79 1lql s GLY 1040CO 0.58 0.93 1.57 -2.55 0.00 0.00 0.00 173.10 173.62 1lql h PRO 1041N 1.82 -0.04 -0.27 2.90 0.11 -1.93 0.14 132.00 134.73 1lql h PRO 1041Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1lql h PRO 1041Cb 1.21 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1lql h PRO 1041CO 0.60 -0.02 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.08 1lql h LEU 1042N -0.04 0.50 -0.42 2.35 3.38 -1.96 -0.92 115.31 118.20 1lql h LEU 1042Ca 0.34 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1lql h LEU 1042Cb 0.60 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1lql h LEU 1042CO -0.90 0.72 0.09 0.00 0.09 0.00 0.00 178.44 178.44 1lql h ALA 1043N 1.33 0.46 0.38 1.53 0.00 -1.12 0.52 119.26 122.35 1lql h ALA 1043Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1lql h ALA 1043Cb 0.62 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1lql h ALA 1043CO 0.04 -0.31 -0.23 0.00 0.00 0.00 0.00 179.25 178.76 1lql h ALA 1044N 1.31 -0.57 -0.46 0.00 0.00 -0.81 0.42 119.26 119.15 1lql h ALA 1044Ca 0.20 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1lql h ALA 1044Cb 0.24 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1lql h ALA 1044CO -0.26 -0.83 -0.23 1.25 0.00 0.00 0.00 179.25 179.18 1lql h LEU 1045N -0.58 -0.79 -1.25 0.00 6.46 -0.37 0.81 115.31 119.58 1lql h LEU 1045Ca -0.04 0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1lql h LEU 1045Cb 0.47 0.42 -0.02 0.00 -0.73 0.00 0.00 40.66 40.80 1lql h LEU 1045CO 0.05 -0.25 0.19 -0.07 -0.62 0.00 0.00 178.44 177.73 1lql h LEU 1046N -0.14 0.64 -1.00 2.25 3.38 0.34 -0.57 115.31 120.21 1lql h LEU 1046Ca 0.22 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1lql h LEU 1046Cb 0.47 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1lql h LEU 1046CO -0.54 0.59 -0.16 0.28 0.09 0.00 0.00 178.44 178.69 1lql h SER 1047N 0.70 0.53 -0.53 -0.43 0.02 0.41 0.23 113.55 114.48 1lql h SER 1047Ca 0.17 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1lql h SER 1047Cb 0.15 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1lql h SER 1047CO -0.02 0.71 0.16 1.23 -1.14 0.00 0.00 176.83 177.77 1lql h GLY 1048N 0.96 0.88 0.76 -3.77 0.00 0.17 0.62 103.07 102.69 1lql h GLY 1048Ca 0.08 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.90 1lql h GLY 1048CO 0.04 0.49 -0.12 -2.00 0.00 0.00 0.00 176.54 174.94 1lql h LEU 1049N 0.72 -0.35 -0.22 3.11 6.46 -0.38 -1.10 115.31 123.55 1lql h LEU 1049Ca 0.17 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 58.03 1lql h LEU 1049Cb 0.28 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1lql h LEU 1049CO -0.00 -0.18 -0.19 0.00 -0.62 0.00 0.00 178.44 177.44 1lql h ALA 1050N 0.67 -0.06 -0.60 1.25 0.00 -0.15 -0.68 119.26 119.69 1lql h ALA 1050Ca 0.03 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1lql h ALA 1050Cb 0.26 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1lql h ALA 1050CO -0.08 -0.62 0.40 0.00 0.00 0.00 0.00 179.25 178.95 1lql h ALA 1051N 0.90 1.73 -0.30 0.00 0.00 -0.49 -0.33 119.26 120.77 1lql h ALA 1051Ca 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1lql h ALA 1051Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1lql h ALA 1051CO -0.34 0.19 -0.17 0.00 0.00 0.00 0.00 179.25 178.93 1lql h GLU 1053N 0.39 -0.71 0.12 0.00 4.39 -0.25 0.05 114.58 118.57 1lql h GLU 1053Ca 0.06 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1lql h GLU 1053Cb 0.71 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.48 1lql h GLU 1053CO 0.05 -0.48 -0.49 -0.07 -1.16 0.00 0.00 179.01 176.87 1lql h LEU 1054N -0.74 -1.46 -1.06 1.33 3.38 -1.12 -1.29 115.31 114.35 1lql h LEU 1054Ca -0.06 0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.27 1lql h LEU 1054Cb 0.62 0.54 -0.11 0.00 0.09 0.00 0.00 40.66 41.80 1lql h LEU 1054CO 0.01 -0.52 0.61 0.00 0.09 0.00 0.00 178.44 178.64 1lql h ALA 1055N -0.64 1.77 0.00 1.53 0.00 -1.09 0.35 119.26 121.18 1lql h ALA 1055Ca -0.01 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1lql h ALA 1055Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1lql h ALA 1055CO -0.26 -0.16 -0.38 1.79 0.00 0.00 0.00 179.25 180.25 1lql h THR 1056N 0.68 0.76 -0.13 0.00 1.35 -0.58 -1.33 112.91 113.67 1lql h THR 1056Ca 0.59 -1.68 -0.15 0.00 -0.55 0.00 0.00 66.41 64.61 1lql h THR 1056Cb 1.02 2.09 0.01 0.00 -1.73 0.00 0.00 68.15 69.53 1lql h THR 1056CO -0.38 0.37 -0.51 0.00 -0.25 0.00 0.00 175.52 174.75 1lql h ALA 1057N 1.62 0.24 0.00 6.62 0.00 0.62 -1.76 119.26 126.61 1lql h ALA 1057Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1lql h ALA 1057Cb 1.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1lql h ALA 1057CO 0.05 0.42 -0.15 -0.97 0.00 0.00 0.00 179.25 178.60 1lql h ASN 1058N 0.21 0.00 0.77 0.00 -0.73 -0.24 -1.56 115.58 114.03 1lql h ASN 1058Ca -0.03 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.95 1lql h ASN 1058Cb 1.14 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.70 1lql h ASN 1058CO 0.11 0.15 -1.34 -0.07 -0.37 0.00 0.00 177.43 175.90 1lql h LEU 1059N 0.00 0.00 0.00 0.34 3.38 -1.07 -3.37 115.31 114.58 1lql h LEU 1059Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1lql h LEU 1059Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1lql h LEU 1059CO 0.02 0.72 -1.37 0.23 0.09 0.00 0.00 178.44 178.13 1lql n MET 1060N -3.02 0.63 -0.12 1.13 2.81 -0.68 -4.39 117.12 113.48 1lql n MET 1060Ca -0.09 0.01 -0.08 0.00 -1.81 0.00 0.00 57.70 55.73 1lql n MET 1060Cb 0.89 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.66 1lql n MET 1060CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lql h ALA 1061N 1.98 -0.24 -0.49 3.04 0.00 -1.45 -1.35 119.26 120.75 1lql h ALA 1061Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1lql h ALA 1061Cb 1.03 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 1lql h ALA 1061CO 0.00 -0.76 -0.47 -1.35 0.00 0.00 0.00 179.25 176.67 1lql h PRO 1062N -0.27 -0.22 -0.04 0.00 0.11 -1.77 0.32 132.00 130.13 1lql h PRO 1062Ca 0.17 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.30 1lql h PRO 1062Cb 0.55 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1lql h PRO 1062CO -0.55 -0.15 0.10 0.00 -0.21 0.00 0.00 178.00 177.19 1lql h ALA 1063N -0.10 1.33 -0.41 -0.75 0.00 -1.69 -1.29 119.26 116.34 1lql h ALA 1063Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lql h ALA 1063Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lql h ALA 1063CO -0.58 -0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.17 1lql n LYS 1064N -3.34 2.41 -2.30 0.00 4.76 0.83 -4.97 118.16 115.56 1lql n LYS 1064Ca -0.02 -2.18 -0.18 0.00 -2.87 0.00 0.00 58.31 53.06 1lql n LYS 1064Cb 0.18 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 1lql n LYS 1064CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1lql n MET 1065N 1.18 -1.46 -3.87 1.97 2.81 0.45 -5.00 117.12 113.22 1lql n MET 1065Ca 0.17 0.91 -0.36 0.00 -1.81 0.00 0.00 57.70 56.61 1lql n MET 1065Cb 0.53 -5.42 -0.07 0.00 -0.71 0.00 0.00 33.22 27.54 1lql n MET 1065CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1lql s ILE 1066N -2.91 5.37 -0.24 2.02 1.09 -0.88 -5.00 121.20 120.66 1lql s ILE 1066Ca 0.00 0.17 -0.06 0.00 -1.10 0.00 0.00 60.65 59.66 1lql s ILE 1066Cb 0.00 -3.38 -0.02 0.00 -1.06 0.00 0.00 42.46 38.00 1lql s ILE 1066CO 0.00 0.55 0.02 0.42 -0.10 0.00 0.00 174.94 175.83 1lql s THR 1067N -0.49 3.87 -0.20 2.92 -4.23 -1.26 -4.32 115.64 111.93 1lql s THR 1067Ca 0.12 -0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 60.23 1lql s THR 1067Cb -0.12 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1lql s THR 1067CO 0.02 0.38 0.09 -0.63 -0.54 0.00 0.00 174.62 173.93 1lql s ILE 1068N 1.55 4.93 -0.20 2.99 1.01 -1.26 -4.26 121.20 125.96 1lql s ILE 1068Ca 0.06 0.02 0.11 0.00 0.00 0.00 0.00 60.65 60.85 1lql s ILE 1068Cb -0.15 -3.25 -0.20 0.00 0.01 0.00 0.00 42.46 38.88 1lql s ILE 1068CO 0.00 0.43 -0.03 0.59 0.00 0.00 0.00 174.94 175.94 1lql n ASN 1069N 3.75 1.05 -3.78 3.58 5.03 0.57 -4.96 115.26 120.49 1lql n ASN 1069Ca -0.16 -0.04 -0.13 0.00 0.87 0.00 0.00 54.58 55.12 1lql n ASN 1069Cb 0.52 0.51 -0.13 0.00 -1.02 0.00 0.00 39.78 39.67 1lql n ASN 1069CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1lql s LYS 1070N -2.45 0.20 -0.08 3.52 -0.14 -1.14 -4.96 119.74 114.70 1lql s LYS 1070Ca -0.16 0.33 -0.03 0.00 -1.36 0.00 0.00 55.97 54.74 1lql s LYS 1070Cb 0.06 0.03 0.04 0.00 -1.68 0.00 0.00 37.83 36.29 1lql s LYS 1070CO 0.68 -0.07 0.15 -1.17 -0.76 0.00 0.00 175.35 174.19 1lql s LEU 1071N 0.45 0.34 0.05 3.17 0.20 -1.26 -1.06 118.68 120.56 1lql s LEU 1071Ca -0.03 0.32 -0.21 0.00 0.69 0.00 0.00 54.13 54.90 1lql s LEU 1071Cb -0.04 0.33 0.05 0.00 -0.43 0.00 0.00 46.19 46.09 1lql s LEU 1071CO -0.02 -0.19 0.48 -1.48 -0.29 0.00 0.00 176.35 174.85 1lql s LEU 1072N 1.71 0.09 -0.02 -0.68 0.05 -0.91 -5.03 118.68 113.88 1lql s LEU 1072Ca -0.03 0.10 0.00 0.00 0.05 0.00 0.00 54.13 54.25 1lql s LEU 1072Cb -0.12 2.00 0.02 0.00 -2.05 0.00 0.00 46.19 46.04 1lql s LEU 1072CO -0.06 -0.71 0.01 -0.32 -0.55 0.00 0.00 176.35 174.72 1lql s MET 1073N -2.52 0.18 -0.17 1.48 1.75 -1.26 -0.72 119.30 118.03 1lql s MET 1073Ca -0.05 0.08 -0.10 0.00 -1.25 0.00 0.00 55.69 54.37 1lql s MET 1073Cb -0.01 -0.36 -0.05 0.00 2.84 0.00 0.00 34.83 37.26 1lql s MET 1073CO -0.02 -0.11 0.17 1.21 -0.65 0.00 0.00 175.02 175.61 1lql s ASN 1074N 0.85 6.30 -0.02 1.11 3.84 0.19 -4.94 114.94 122.27 1lql s ASN 1074Ca -0.08 0.35 0.07 0.00 0.21 0.00 0.00 52.86 53.41 1lql s ASN 1074Cb -0.11 -2.11 -0.02 0.00 -0.55 0.00 0.00 41.25 38.46 1lql s ASN 1074CO -0.02 0.21 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.58 1lql s VAL 1075N 0.09 1.86 -0.00 -5.21 1.01 -1.26 -0.46 120.40 116.43 1lql s VAL 1075Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1lql s VAL 1075Cb -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1lql s VAL 1075CO 0.01 0.53 -0.00 0.42 0.00 0.00 0.00 175.10 176.05 1lql s THR 1076N -0.53 0.05 0.17 3.92 -4.23 -0.27 -4.96 115.64 109.78 1lql s THR 1076Ca 0.08 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1lql s THR 1076Cb -0.09 -0.07 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1lql s THR 1076CO -0.01 0.03 0.12 -0.83 -0.54 0.00 0.00 174.62 173.39 1lql s GLY 1077N 0.14 1.12 0.10 3.99 0.00 -1.26 0.18 107.32 111.60 1lql s GLY 1077Ca -0.01 -1.50 -0.15 0.00 0.00 0.00 0.00 44.72 43.06 1lql s GLY 1077CO -0.00 -1.32 0.36 -1.35 0.00 0.00 0.00 173.10 170.79 1lql s SER 1078N -3.09 -0.17 0.19 1.64 1.04 -0.22 -4.98 113.70 108.11 1lql s SER 1078Ca 0.30 -0.33 -0.17 0.00 0.48 0.00 0.00 55.95 56.22 1lql s SER 1078Cb 0.07 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1lql s SER 1078CO 0.06 -0.79 0.52 0.00 0.98 0.00 0.00 173.24 174.01 1lql s ARG 1079N -3.56 1.36 -0.17 4.02 1.70 -1.26 -0.66 118.95 120.39 1lql s ARG 1079Ca 0.02 -0.85 -0.09 0.00 -0.47 0.00 0.00 55.73 54.34 1lql s ARG 1079Cb 0.02 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 1lql s ARG 1079CO -0.10 -0.58 0.14 -1.12 -1.08 0.00 0.00 175.30 172.56 1lql s SER 1080N -2.87 6.28 0.08 -2.89 0.01 -1.26 -4.98 113.70 108.07 1lql s SER 1080Ca 0.09 0.32 0.11 0.00 1.31 0.00 0.00 55.95 57.77 1lql s SER 1080Cb -0.01 -2.08 -0.18 0.00 0.21 0.00 0.00 66.02 63.96 1lql s SER 1080CO -0.03 0.26 1.05 0.71 0.41 0.00 0.00 173.24 175.63 1lql h THR 1081N 4.43 1.21 -2.74 1.44 1.35 -1.94 -3.39 112.91 113.27 1lql h THR 1081Ca -0.46 -2.91 -0.61 0.00 -0.55 0.00 0.00 66.41 61.89 1lql h THR 1081Cb 1.18 2.58 -0.40 0.00 -1.73 0.00 0.00 68.15 69.77 1lql h THR 1081CO 0.70 0.69 -0.77 0.21 -0.25 0.00 0.00 175.52 176.10 1lql s ASN 1082N -6.38 3.19 0.70 5.36 2.47 -1.26 -5.08 114.94 113.93 1lql s ASN 1082Ca -0.01 -3.45 -0.10 0.00 0.42 0.00 0.00 52.86 49.73 1lql s ASN 1082Cb 0.09 -1.05 0.03 0.00 -1.45 0.00 0.00 41.25 38.87 1lql s ASN 1082CO 0.81 -0.13 1.06 -2.16 -3.72 0.00 0.00 177.10 172.96 1lql s PRO 1083N -0.69 2.66 -0.17 0.43 0.04 -1.26 -5.01 135.00 131.01 1lql s PRO 1083Ca 0.28 0.23 0.11 0.00 0.04 0.00 0.00 61.00 61.66 1lql s PRO 1083Cb -0.01 -2.08 -0.18 0.00 0.04 0.00 0.00 34.50 32.27 1lql s PRO 1083CO -0.18 -1.07 -0.01 2.41 0.04 0.00 0.00 177.00 178.19 1lql n THR 1084N -2.96 1.10 -0.09 1.26 -1.04 -1.26 -4.47 114.28 106.81 1lql n THR 1084Ca 0.07 -0.60 -0.09 0.00 -2.04 0.00 0.00 64.05 61.39 1lql n THR 1084Cb 0.58 -0.75 -0.01 0.00 -1.82 0.00 0.00 70.33 68.33 1lql n THR 1084CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1lql h ASP 1085N 0.00 0.35 0.00 8.00 3.32 -2.03 -3.46 116.42 122.61 1lql h ASP 1085Ca -0.43 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1lql h ASP 1085Cb 1.89 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.36 1lql h ASP 1085CO -0.00 0.26 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1lql n GLY 1086N -1.18 1.18 3.31 2.75 0.00 -1.26 -5.06 105.19 104.92 1lql n GLY 1086Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1lql n GLY 1086CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lql s TYR 1087N -2.00 3.28 -2.56 1.61 5.04 -1.26 -4.95 117.35 116.51 1lql s TYR 1087Ca 0.00 -1.30 0.23 0.00 -2.44 0.00 0.00 57.07 53.56 1lql s TYR 1087Cb 0.00 -2.57 0.54 0.00 0.35 0.00 0.00 41.96 40.27 1lql s TYR 1087CO 0.00 -0.74 1.45 1.19 -1.34 0.00 0.00 175.55 176.11 1lql n PHE 1088N 4.91 0.24 -1.51 4.97 3.72 -1.26 -4.67 117.46 123.86 1lql n PHE 1088Ca -0.11 -0.12 -0.25 0.00 -0.05 0.00 0.00 57.45 56.92 1lql n PHE 1088Cb 0.44 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.17 1lql n PHE 1088CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lql n GLY 1089N 1.33 -1.85 3.73 1.37 0.00 -1.26 -4.68 105.19 103.83 1lql n GLY 1089Ca 0.17 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1lql n GLY 1089CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lql s LEU 1090N 0.00 4.41 -0.01 0.99 1.43 -1.26 -4.43 118.68 119.81 1lql s LEU 1090Ca 0.62 2.23 0.18 0.00 -1.03 0.00 0.00 54.13 56.12 1lql s LEU 1090Cb -0.03 -3.60 -0.19 0.00 0.03 0.00 0.00 46.19 42.40 1lql s LEU 1090CO 0.45 -0.47 0.61 0.54 0.23 0.00 0.00 176.35 177.71 1lql n ARG 1091N 3.14 0.64 -3.72 1.70 1.74 0.17 -4.28 116.66 116.05 1lql n ARG 1091Ca 0.07 0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1lql n ARG 1091Cb 0.44 -1.70 -0.11 0.00 -1.02 0.00 0.00 32.46 30.07 1lql n ARG 1091CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1lql s GLU 1092N -2.93 0.42 -0.10 5.56 2.12 -1.21 -1.61 118.70 120.96 1lql s GLU 1092Ca -0.05 0.63 -0.02 0.00 0.36 0.00 0.00 54.97 55.89 1lql s GLU 1092Cb 0.09 0.11 0.04 0.00 0.26 0.00 0.00 34.13 34.63 1lql s GLU 1092CO 0.83 -0.10 0.04 -1.50 -0.54 0.00 0.00 175.26 173.99 1lql s ILE 1093N 0.72 0.19 -0.25 -3.70 -1.16 -0.72 -1.06 121.20 115.22 1lql s ILE 1093Ca -0.04 0.05 -0.12 0.00 -0.51 0.00 0.00 60.65 60.03 1lql s ILE 1093Cb -0.05 -0.51 -0.05 0.00 0.61 0.00 0.00 42.46 42.46 1lql s ILE 1093CO -0.05 0.08 0.25 0.20 -2.81 0.00 0.00 174.94 172.60 1lql s ASN 1094N 2.04 6.17 -0.26 4.50 0.01 0.48 -1.60 114.94 126.28 1lql s ASN 1094Ca 0.04 0.18 -0.09 0.00 -0.71 0.00 0.00 52.86 52.28 1lql s ASN 1094Cb -0.14 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1lql s ASN 1094CO -0.06 -0.03 0.12 -0.76 -1.51 0.00 0.00 177.10 174.86 1lql s LEU 1095N 1.46 3.69 -0.25 0.60 1.43 0.41 -1.11 118.68 124.90 1lql s LEU 1095Ca 0.11 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1lql s LEU 1095Cb -0.15 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.13 1lql s LEU 1095CO 0.08 -0.03 -0.08 -2.28 0.23 0.00 0.00 176.35 174.27 1lql s HIS 1096N 1.59 2.94 0.35 0.29 2.46 0.40 -1.59 115.29 121.73 1lql s HIS 1096Ca 0.06 -2.13 -0.18 0.00 0.47 0.00 0.00 55.06 53.28 1lql s HIS 1096Cb -0.15 -1.84 -0.10 0.00 -0.13 0.00 0.00 32.58 30.37 1lql s HIS 1096CO 0.06 -0.84 0.81 -1.58 -2.47 0.00 0.00 174.74 170.72 1lql s TRP 1097N 1.21 3.38 -0.25 3.88 0.52 -0.62 -0.64 118.94 126.41 1lql s TRP 1097Ca -0.07 1.38 -0.02 0.00 0.02 0.00 0.00 56.10 57.41 1lql s TRP 1097Cb -0.19 -2.66 0.08 0.00 -1.15 0.00 0.00 33.47 29.55 1lql s TRP 1097CO -0.06 0.04 0.08 -2.00 0.02 0.00 0.00 176.95 175.04 1lql s GLU 1098N -2.95 0.55 -0.17 4.98 2.12 0.10 -0.31 118.70 123.02 1lql s GLU 1098Ca 0.56 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 55.22 1lql s GLU 1098Cb -0.10 -1.85 -0.01 0.00 0.26 0.00 0.00 34.13 32.43 1lql s GLU 1098CO 0.16 -0.85 -0.11 0.42 -0.54 0.00 0.00 175.26 174.35 1lql s ILE 1099N 1.84 2.99 -0.45 -3.70 1.01 -0.62 -2.14 121.20 120.13 1lql s ILE 1099Ca 0.05 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1lql s ILE 1099Cb -0.17 -2.30 0.05 0.00 0.01 0.00 0.00 42.46 40.05 1lql s ILE 1099CO -0.20 0.49 0.39 -1.00 0.00 0.00 0.00 174.94 174.62 1lql s HIS 1100N 0.92 3.21 0.03 3.97 3.76 -0.23 0.36 115.29 127.31 1lql s HIS 1100Ca -0.02 -0.71 -0.19 0.00 -0.15 0.00 0.00 55.06 53.99 1lql s HIS 1100Cb -0.15 -2.99 0.04 0.00 1.11 0.00 0.00 32.58 30.59 1lql s HIS 1100CO -0.01 -0.74 0.42 0.45 -0.85 0.00 0.00 174.74 174.02 1lql s SER 1101N 2.22 -0.31 0.28 1.40 0.15 -0.33 -0.32 113.70 116.78 1lql s SER 1101Ca 0.06 0.08 0.24 0.00 0.70 0.00 0.00 55.95 57.04 1lql s SER 1101Cb -0.21 0.42 0.48 0.00 -1.71 0.00 0.00 66.02 65.00 1lql s SER 1101CO 0.09 -0.63 1.57 1.55 1.20 0.00 0.00 173.24 177.02 1lql h PRO 1102N 3.13 0.00 -7.09 5.44 0.13 -1.85 -3.35 132.00 128.41 1lql h PRO 1102Ca -0.31 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.27 1lql h PRO 1102Cb 1.20 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.47 1lql h PRO 1102CO 0.42 0.00 0.53 -0.80 -0.23 0.00 0.00 178.00 177.93 1lql s ASN 1103N -5.16 4.90 0.79 1.44 0.01 -1.26 -5.00 114.94 110.67 1lql s ASN 1103Ca 0.07 2.62 -0.11 0.00 -0.71 0.00 0.00 52.86 54.74 1lql s ASN 1103Cb 0.10 -2.62 0.07 0.00 0.41 0.00 0.00 41.25 39.20 1lql s ASN 1103CO 0.66 -1.81 1.09 -0.94 -1.51 0.00 0.00 177.10 174.59 1lql s SER 1104N -1.31 4.43 0.16 -1.22 1.04 -1.26 -4.79 113.70 110.74 1lql s SER 1104Ca 0.79 1.59 -0.22 0.00 0.48 0.00 0.00 55.95 58.59 1lql s SER 1104Cb -0.37 -2.33 0.05 0.00 0.10 0.00 0.00 66.02 63.47 1lql s SER 1104CO 0.41 -2.05 1.61 -0.33 0.98 0.00 0.00 173.24 173.86 1lql h GLU 1105N -1.14 -0.24 0.00 4.02 5.08 -1.99 -0.53 114.58 119.78 1lql h GLU 1105Ca -0.46 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 1lql h GLU 1105Cb 1.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1lql h GLU 1105CO 0.55 -0.16 -0.28 1.79 -1.00 0.00 0.00 179.01 179.91 1lql h THR 1106N -0.24 1.15 0.21 1.13 1.35 -1.99 0.15 112.91 114.67 1lql h THR 1106Ca 0.16 -0.99 -0.01 0.00 -0.55 0.00 0.00 66.41 65.02 1lql h THR 1106Cb 0.50 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1lql h THR 1106CO -0.46 0.28 -0.10 -0.33 -0.25 0.00 0.00 175.52 174.65 1lql h GLU 1107N 0.00 -0.28 -0.69 4.72 5.08 -1.70 -1.71 114.58 120.01 1lql h GLU 1107Ca -0.00 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1lql h GLU 1107Cb 0.52 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 1lql h GLU 1107CO 0.04 0.06 0.32 0.82 -1.00 0.00 0.00 179.01 179.25 1lql h ILE 1108N -0.65 0.83 0.34 3.13 1.08 -0.77 0.22 117.51 121.69 1lql h ILE 1108Ca -0.03 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1lql h ILE 1108Cb 0.46 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1lql h ILE 1108CO 0.05 0.10 -0.28 0.50 -0.69 0.00 0.00 178.15 177.83 1lql h LYS 1109N 0.55 -0.60 -0.01 2.37 3.11 -0.62 0.17 116.57 121.53 1lql h LYS 1109Ca 0.34 0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 58.18 1lql h LYS 1109Cb 0.37 0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 1lql h LYS 1109CO -0.28 -0.40 -0.20 0.93 -2.81 0.00 0.00 179.45 176.69 1lql h GLU 1110N -0.63 0.02 0.47 1.90 5.08 -0.93 0.83 114.58 121.32 1lql h GLU 1110Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1lql h GLU 1110Cb 0.55 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1lql h GLU 1110CO -0.02 0.22 -0.23 0.35 -1.00 0.00 0.00 179.01 178.34 1lql h PHE 1111N 0.02 -0.59 0.00 4.33 -0.00 0.06 -1.63 116.94 119.13 1lql h PHE 1111Ca 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.97 57.90 1lql h PHE 1111Cb 0.36 0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 36.50 1lql h PHE 1111CO 0.00 -0.28 -0.28 0.82 -0.00 0.00 0.00 178.31 178.57 1lql h ILE 1112N -0.83 1.02 -0.04 1.41 2.04 -0.34 0.97 117.51 121.74 1lql h ILE 1112Ca -0.06 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 1lql h ILE 1112Cb 0.57 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1lql h ILE 1112CO 0.11 0.27 -0.37 0.44 0.00 0.00 0.00 178.15 178.60 1lql h ASP 1113N 0.00 0.09 0.00 1.72 3.45 -0.75 -1.66 116.42 119.26 1lql h ASP 1113Ca -0.00 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 1lql h ASP 1113Cb 0.56 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1lql h ASP 1113CO 0.04 0.45 -0.00 0.15 -1.57 0.00 0.00 179.24 178.31 1lql h PHE 1114N 0.07 -0.00 -0.44 4.55 3.04 -0.16 -2.90 116.94 121.10 1lql h PHE 1114Ca 0.01 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.04 1lql h PHE 1114Cb 0.69 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.12 1lql h PHE 1114CO 0.00 0.73 -0.06 0.28 -2.02 0.00 0.00 178.31 177.24 1lql h VAL 1115N -0.74 0.60 -0.99 1.41 2.07 -0.74 -1.44 116.25 116.41 1lql h VAL 1115Ca -0.00 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1lql h VAL 1115Cb 0.73 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1lql h VAL 1115CO 0.00 0.01 0.66 0.28 0.02 0.00 0.00 177.57 178.54 1lql h SER 1116N 0.04 1.13 0.67 0.57 0.02 -1.39 1.07 113.55 115.65 1lql h SER 1116Ca 0.22 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1lql h SER 1116Cb 0.33 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1lql h SER 1116CO -0.42 0.80 0.00 0.29 -1.14 0.00 0.00 176.83 176.37 1lql n LYS 1117N -4.41 0.09 -0.01 3.45 5.02 -0.68 -3.45 118.16 118.18 1lql n LYS 1117Ca 0.12 0.30 0.02 0.00 -2.02 0.00 0.00 58.31 56.73 1lql n LYS 1117Cb 0.03 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 1lql n LYS 1117CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1lql n ARG 1118N -1.82 0.62 -2.05 1.97 3.00 0.05 -4.92 116.66 113.51 1lql n ARG 1118Ca 0.03 -0.04 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1lql n ARG 1118Cb 0.22 -1.11 -0.03 0.00 0.00 0.00 0.00 32.46 31.53 1lql n ARG 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lql h PRO 1120N 7.29 -0.15 0.66 0.00 0.11 -1.90 -0.25 132.00 137.77 1lql h PRO 1120Ca -0.42 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1lql h PRO 1120Cb 1.20 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1lql h PRO 1120CO 0.90 -0.10 -0.45 0.00 -0.21 0.00 0.00 178.00 178.14 1lql h ALA 1121N 1.02 -1.22 -1.12 -0.75 0.00 -1.93 0.76 119.26 116.01 1lql h ALA 1121Ca 0.15 -0.22 0.31 0.00 0.00 0.00 0.00 54.91 55.16 1lql h ALA 1121Cb 0.39 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 1lql h ALA 1121CO -0.38 -1.19 0.74 1.25 0.00 0.00 0.00 179.25 179.67 1lql h HIS 1122N -1.05 0.53 -0.13 0.00 6.17 -1.84 0.71 115.15 119.54 1lql h HIS 1122Ca -0.09 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.00 1lql h HIS 1122Cb 0.85 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.63 1lql h HIS 1122CO -0.11 -0.00 0.03 -0.91 0.71 0.00 0.00 177.93 177.64 1lql h ASN 1123N 0.27 0.19 0.09 3.26 4.21 -0.02 -1.57 115.58 122.01 1lql h ASN 1123Ca 0.64 -0.23 0.02 0.00 1.21 0.00 0.00 56.30 57.94 1lql h ASN 1123Cb 1.85 -0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 38.96 1lql h ASN 1123CO -0.28 0.38 -0.28 0.74 -1.29 0.00 0.00 177.43 176.70 1lql h THR 1124N 0.00 0.39 0.00 2.81 2.02 0.27 -2.45 112.91 115.95 1lql h THR 1124Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1lql h THR 1124Cb 0.26 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1lql h THR 1124CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 1lql n LEU 1125N -5.39 0.53 -0.27 2.58 4.77 -0.05 -3.20 117.00 115.97 1lql n LEU 1125Ca -0.06 0.62 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 1lql n LEU 1125Cb 0.30 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1lql n LEU 1125CO 0.23 -0.45 1.16 1.56 -1.33 0.00 0.00 177.39 178.56 1lql h GLN 1126N 0.00 0.98 0.00 3.23 1.08 -0.77 -2.81 115.11 116.83 1lql h GLN 1126Ca 0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1lql h GLN 1126Cb 0.38 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1lql h GLN 1126CO 0.00 0.68 0.00 0.41 -0.95 0.00 0.00 178.83 178.97 1lql n GLY 1127N -1.23 -0.77 0.08 3.46 0.00 -1.20 -4.37 105.19 101.17 1lql n GLY 1127Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1lql n GLY 1127CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lql h VAL 1128N 0.00 0.00 0.00 1.61 2.07 -1.71 -3.47 116.25 114.76 1lql h VAL 1128Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1lql h VAL 1128Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1lql h VAL 1128CO 0.00 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.05 1lql n SER 1129N -2.70 0.00 -0.46 0.57 3.41 -1.26 -4.64 113.62 108.54 1lql n SER 1129Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.69 1lql n SER 1129Cb 0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1lql n SER 1129CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lql n GLN 1130N -0.13 1.34 -4.64 4.33 6.02 -1.26 -4.79 117.38 118.25 1lql n GLN 1130Ca 0.00 -0.94 -0.32 0.00 -0.01 0.00 0.00 57.00 55.72 1lql n GLN 1130Cb 0.00 -1.42 -0.12 0.00 1.02 0.00 0.00 30.24 29.72 1lql n GLN 1130CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1lql s LEU 1131N -2.36 2.98 -0.16 1.08 2.96 -1.26 -4.35 118.68 117.57 1lql s LEU 1131Ca 0.17 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1lql s LEU 1131Cb 0.17 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1lql s LEU 1131CO 0.53 0.31 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.92 1lql s LYS 1132N -1.10 2.92 -0.40 1.98 2.20 -0.63 -4.87 119.74 119.83 1lql s LYS 1132Ca 0.14 -0.81 -0.13 0.00 -0.36 0.00 0.00 55.97 54.81 1lql s LYS 1132Cb -0.11 -2.47 0.03 0.00 -1.51 0.00 0.00 37.83 33.77 1lql s LYS 1132CO 0.04 -0.15 0.26 0.42 -0.36 0.00 0.00 175.35 175.56 1lql s ILE 1133N 1.15 4.91 -0.05 5.43 1.01 -1.26 -1.76 121.20 130.63 1lql s ILE 1133Ca 0.01 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1lql s ILE 1133Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1lql s ILE 1133CO -0.09 -0.30 0.43 0.20 0.00 0.00 0.00 174.94 175.18 1lql s ASN 1134N 1.68 6.75 -0.03 3.58 0.01 -0.63 -4.96 114.94 121.34 1lql s ASN 1134Ca 0.03 0.89 0.03 0.00 -0.71 0.00 0.00 52.86 53.10 1lql s ASN 1134Cb -0.19 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.21 1lql s ASN 1134CO 0.08 0.20 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.07 1lql s VAL 1135N -0.39 0.96 -0.03 1.60 1.01 -1.26 0.15 120.40 122.45 1lql s VAL 1135Ca 0.24 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.51 1lql s VAL 1135Cb -0.16 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.43 1lql s VAL 1135CO 0.12 0.29 0.53 0.54 0.00 0.00 0.00 175.10 176.58 1lql s ASN 1136N 0.12 -0.47 0.08 3.32 4.22 -0.62 -4.99 114.94 116.60 1lql s ASN 1136Ca -0.03 0.43 0.06 0.00 -2.14 0.00 0.00 52.86 51.18 1lql s ASN 1136Cb -0.09 0.45 -0.03 0.00 1.28 0.00 0.00 41.25 42.86 1lql s ASN 1136CO 0.01 -0.57 -0.15 0.54 -2.04 0.00 0.00 177.10 174.89 1lql s VAL 1137N -1.39 1.21 -0.38 3.54 0.11 -1.26 -1.59 120.40 120.64 1lql s VAL 1137Ca -0.11 -1.40 -0.05 0.00 -2.93 0.00 0.00 61.98 57.49 1lql s VAL 1137Cb -0.02 -1.20 0.08 0.00 -1.53 0.00 0.00 36.38 33.71 1lql s VAL 1137CO 0.07 -0.24 0.16 -0.89 -3.33 0.00 0.00 175.10 170.86 1lql s THR 1138N -1.42 3.55 -0.16 5.04 2.01 0.58 -4.93 115.64 120.31 1lql s THR 1138Ca 0.01 -1.58 -0.23 0.00 0.31 0.00 0.00 61.69 60.20 1lql s THR 1138Cb -0.09 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1lql s THR 1138CO 0.03 -0.43 0.71 -0.22 -0.69 0.00 0.00 174.62 174.02 1lql s LEU 1139N 1.28 4.19 -0.23 4.42 0.20 -1.26 -1.59 118.68 125.70 1lql s LEU 1139Ca 0.02 1.03 0.01 0.00 0.69 0.00 0.00 54.13 55.88 1lql s LEU 1139Cb -0.22 -3.05 0.04 0.00 -0.43 0.00 0.00 46.19 42.53 1lql s LEU 1139CO -0.01 -0.28 -0.13 -0.69 -0.29 0.00 0.00 176.35 174.95 1lql s VAL 1140N 1.72 2.27 -2.25 1.68 1.01 0.16 -4.97 120.40 120.02 1lql s VAL 1140Ca 0.34 -1.24 0.30 0.00 0.00 0.00 0.00 61.98 61.37 1lql s VAL 1140Cb -0.16 -2.16 0.73 0.00 0.00 0.00 0.00 36.38 34.79 1lql s VAL 1140CO 0.13 0.24 1.99 1.41 0.00 0.00 0.00 175.10 178.86