#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxm n GLY 1002N 0.00 -1.81 1.66 0.00 0.00 -1.26 -4.93 105.19 98.84 1xxm n GLY 1002Ca 0.00 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 1xxm n GLY 1002CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xxm n VAL 1003N -2.89 0.00 -1.93 1.61 0.24 -1.26 -4.90 118.33 109.19 1xxm n VAL 1003Ca -0.00 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.34 61.43 1xxm n VAL 1003Cb 0.34 -1.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.00 1xxm n VAL 1003CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1xxm s MET 1004N -4.14 4.20 0.18 7.34 1.75 -0.55 -4.95 119.30 123.13 1xxm s MET 1004Ca 0.32 2.42 -0.00 0.00 -1.25 0.00 0.00 55.69 57.18 1xxm s MET 1004Cb -0.01 -3.00 -0.04 0.00 2.84 0.00 0.00 34.83 34.61 1xxm s MET 1004CO 0.22 -0.40 0.09 0.95 -0.65 0.00 0.00 175.02 175.23 1xxm s THR 1005N -1.13 0.20 0.36 10.11 -4.23 -1.26 -4.23 115.64 115.46 1xxm s THR 1005Ca 0.51 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 59.14 1xxm s THR 1005Cb -0.44 -2.33 0.14 0.00 1.34 0.00 0.00 72.50 71.21 1xxm s THR 1005CO 0.59 -0.21 1.87 1.23 -0.54 0.00 0.00 174.62 177.56 1xxm h GLY 1006N 2.67 0.31 0.99 3.99 0.00 -1.93 -0.47 103.07 108.63 1xxm h GLY 1006Ca -0.36 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1xxm h GLY 1006CO 0.57 0.19 0.16 0.00 0.00 0.00 0.00 176.54 177.46 1xxm h ALA 1007N 1.57 0.72 -0.45 3.60 0.00 -1.96 0.11 119.26 122.85 1xxm h ALA 1007Ca 0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1xxm h ALA 1007Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xxm h ALA 1007CO 0.03 0.40 -0.21 0.87 0.00 0.00 0.00 179.25 180.33 1xxm h LYS 1008N 0.77 0.90 -0.24 0.00 1.57 -1.80 -1.00 116.57 116.77 1xxm h LYS 1008Ca 0.17 -0.37 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1xxm h LYS 1008Cb 0.31 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1xxm h LYS 1008CO -0.00 1.02 0.12 0.35 -0.57 0.00 0.00 179.45 180.37 1xxm h PHE 1009N 0.78 0.23 -0.04 -1.35 3.57 -0.66 -1.67 116.94 117.79 1xxm h PHE 1009Ca 0.10 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1xxm h PHE 1009Cb 0.76 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1xxm h PHE 1009CO 0.05 0.13 -0.39 1.15 -2.23 0.00 0.00 178.31 177.02 1xxm h THR 1010N 0.26 1.29 -0.29 4.41 2.02 -0.86 -2.94 112.91 116.80 1xxm h THR 1010Ca 0.10 -1.38 -0.14 0.00 0.77 0.00 0.00 66.41 65.75 1xxm h THR 1010Cb 0.02 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1xxm h THR 1010CO -0.06 0.40 -0.40 -0.61 0.37 0.00 0.00 175.52 175.22 1xxm h GLN 1011N 0.07 0.71 -6.76 6.66 4.15 -0.68 -3.43 115.11 115.83 1xxm h GLN 1011Ca 0.01 -0.37 -0.53 0.00 0.77 0.00 0.00 58.65 58.53 1xxm h GLN 1011Cb 0.72 0.01 0.06 0.00 0.21 0.00 0.00 27.48 28.48 1xxm h GLN 1011CO 0.05 0.98 0.77 0.42 -1.93 0.00 0.00 178.83 179.13 1xxm s ILE 1012N -4.30 2.57 0.13 2.39 1.01 -0.67 -5.01 121.20 117.32 1xxm s ILE 1012Ca -0.09 0.48 0.11 0.00 0.00 0.00 0.00 60.65 61.15 1xxm s ILE 1012Cb 0.12 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1xxm s ILE 1012CO 0.85 0.08 -0.27 -1.10 0.00 0.00 0.00 174.94 174.50 1xxm s GLN 1013N -0.45 1.40 0.56 2.79 -1.52 -1.26 -4.97 119.66 116.21 1xxm s GLN 1013Ca 0.59 -1.35 -0.21 0.00 -1.95 0.00 0.00 55.36 52.44 1xxm s GLN 1013Cb -0.43 -1.89 -0.04 0.00 -0.22 0.00 0.00 33.01 30.43 1xxm s GLN 1013CO 0.44 0.45 1.31 -0.06 -0.25 0.00 0.00 175.29 177.18 1xxm s PHE 1014N -1.09 2.31 0.00 0.91 0.40 -1.26 -2.18 117.98 117.07 1xxm s PHE 1014Ca 0.14 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.89 1xxm s PHE 1014Cb -0.10 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 39.72 1xxm s PHE 1014CO 0.06 -2.72 0.00 0.41 0.70 0.00 0.00 175.22 173.68 1xxm n GLY 1015N 0.71 1.94 3.79 4.36 0.00 0.01 -4.90 105.19 111.10 1xxm n GLY 1015Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1xxm n GLY 1015CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxm s MET 1016N -0.71 2.73 0.68 1.61 -1.94 -0.92 -4.48 119.30 116.27 1xxm s MET 1016Ca 0.00 1.16 -0.04 0.00 -1.71 0.00 0.00 55.69 55.10 1xxm s MET 1016Cb 0.00 -1.96 0.08 0.00 2.01 0.00 0.00 34.83 34.96 1xxm s MET 1016CO 0.00 -1.28 0.96 0.95 -0.01 0.00 0.00 175.02 175.65 1xxm s THR 1017N -2.76 2.34 0.22 2.05 -4.23 -1.26 -0.75 115.64 111.24 1xxm s THR 1017Ca 0.62 -0.42 -0.08 0.00 -1.18 0.00 0.00 61.69 60.62 1xxm s THR 1017Cb -0.17 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 70.94 1xxm s THR 1017CO 0.50 0.00 1.83 0.03 -0.54 0.00 0.00 174.62 176.44 1xxm h ARG 1018N -0.47 1.18 -0.43 3.99 3.08 -1.80 -2.04 114.38 117.90 1xxm h ARG 1018Ca -0.42 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.41 1xxm h ARG 1018Cb 1.30 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1xxm h ARG 1018CO 0.53 0.88 -0.04 0.37 -1.07 0.00 0.00 179.97 180.63 1xxm h GLN 1019N 1.17 0.71 -0.48 0.04 5.75 -1.94 -0.50 115.11 119.86 1xxm h GLN 1019Ca 0.29 -0.20 -0.12 0.00 -0.15 0.00 0.00 58.65 58.48 1xxm h GLN 1019Cb 0.05 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1xxm h GLN 1019CO -0.04 0.76 -0.17 1.96 -2.65 0.00 0.00 178.83 178.68 1xxm h GLN 1020N 0.66 0.93 0.06 1.69 4.20 -1.85 -0.96 115.11 119.85 1xxm h GLN 1020Ca 0.13 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1xxm h GLN 1020Cb 0.47 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1xxm h GLN 1020CO 0.02 1.02 -0.03 0.28 -0.67 0.00 0.00 178.83 179.46 1xxm h VAL 1021N 0.82 1.07 -0.65 -0.54 2.07 -1.00 -2.16 116.25 115.87 1xxm h VAL 1021Ca 0.12 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1xxm h VAL 1021Cb 0.72 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1xxm h VAL 1021CO 0.06 0.11 0.40 -0.07 0.02 0.00 0.00 177.57 178.09 1xxm h LEU 1022N -0.28 0.65 -1.12 2.57 3.38 -1.01 -0.99 115.31 118.52 1xxm h LEU 1022Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xxm h LEU 1022Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xxm h LEU 1022CO 0.01 0.45 0.15 0.44 0.09 0.00 0.00 178.44 179.59 1xxm h ASP 1023N 0.78 0.72 0.02 -0.43 3.32 -1.10 0.97 116.42 120.70 1xxm h ASP 1023Ca 0.26 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1xxm h ASP 1023Cb 0.03 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.40 1xxm h ASP 1023CO -0.11 0.69 -0.49 0.40 -1.72 0.00 0.00 179.24 178.01 1xxm h ILE 1024N 0.76 1.50 0.02 0.35 2.04 -0.96 -3.35 117.51 117.86 1xxm h ILE 1024Ca 0.17 -2.12 -0.22 0.00 1.00 0.00 0.00 64.86 63.69 1xxm h ILE 1024Cb 0.24 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1xxm h ILE 1024CO -0.01 0.60 -0.95 0.00 0.00 0.00 0.00 178.15 177.79 1xxm h ALA 1025N 0.24 0.40 0.00 1.87 0.00 -1.18 -3.47 119.26 117.12 1xxm h ALA 1025Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1xxm h ALA 1025Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xxm h ALA 1025CO 0.10 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1xxm n GLY 1026N 0.99 0.93 0.40 0.00 0.00 0.30 -4.45 105.19 103.35 1xxm n GLY 1026Ca -0.05 -0.90 0.24 0.00 0.00 0.00 0.00 46.02 45.30 1xxm n GLY 1026CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxm h ALA 1027N 0.00 2.20 0.00 4.61 0.00 -1.81 0.12 119.26 124.37 1xxm h ALA 1027Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xxm h ALA 1027Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xxm h ALA 1027CO 0.00 -0.66 0.00 -0.85 0.00 0.00 0.00 179.25 177.74 1xxm n GLU 1028N -4.72 0.09 0.00 0.00 0.00 -1.26 -1.53 120.64 113.22 1xxm n GLU 1028Ca 0.28 0.44 0.11 0.00 0.00 0.00 0.00 57.16 57.99 1xxm n GLU 1028Cb 0.94 -1.72 0.04 0.00 0.00 0.00 0.00 31.44 30.70 1xxm n GLU 1028CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1xxm n ASN 1029N -1.90 1.06 -4.69 -1.84 3.02 0.40 -5.00 115.26 106.32 1xxm n ASN 1029Ca 0.01 -0.90 -0.26 0.00 -0.03 0.00 0.00 54.58 53.41 1xxm n ASN 1029Cb 0.12 0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 39.84 1xxm n ASN 1029CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xxm s GLU 1031N -3.82 1.06 0.20 0.00 -1.05 0.07 -4.97 118.70 110.19 1xxm s GLU 1031Ca 0.38 -0.50 -0.01 0.00 -0.15 0.00 0.00 54.97 54.69 1xxm s GLU 1031Cb 0.06 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1xxm s GLU 1031CO 0.21 -0.40 0.13 -0.08 0.95 0.00 0.00 175.26 176.06 1xxm s THR 1032N -3.23 0.01 0.00 1.83 -1.32 -1.26 -0.69 115.64 110.99 1xxm s THR 1032Ca -0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.47 1xxm s THR 1032Cb 0.00 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.50 1xxm s THR 1032CO -0.08 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1xxm n GLY 1033N -0.27 -0.30 7.00 6.08 0.00 0.37 -4.88 105.19 113.19 1xxm n GLY 1033Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1xxm n GLY 1033CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxm n GLY 1034N 0.00 3.32 0.10 -0.02 0.00 -1.26 -1.15 105.19 106.18 1xxm n GLY 1034Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1xxm n GLY 1034CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xxm n SER 1035N 3.33 0.52 -1.07 1.61 7.64 -1.26 -3.11 113.62 121.29 1xxm n SER 1035Ca 0.00 0.63 0.09 0.00 1.01 0.00 0.00 58.87 60.61 1xxm n SER 1035Cb 0.00 -0.74 0.25 0.00 -1.01 0.00 0.00 64.21 62.71 1xxm n SER 1035CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1xxm n PHE 1036N -2.08 0.79 0.00 1.43 3.01 -0.30 -5.06 117.46 115.24 1xxm n PHE 1036Ca 0.02 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.97 1xxm n PHE 1036Cb 0.21 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1xxm n PHE 1036CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xxm n GLY 1037N 1.15 3.22 1.45 1.37 0.00 -1.17 -1.41 105.19 109.80 1xxm n GLY 1037Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1xxm n GLY 1037CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xxm n ASP 1038N 3.81 4.29 -4.95 1.61 3.85 -1.26 0.14 116.55 124.03 1xxm n ASP 1038Ca 0.00 -2.48 -0.23 0.00 -0.71 0.00 0.00 54.79 51.37 1xxm n ASP 1038Cb 0.00 -0.56 0.03 0.00 -1.35 0.00 0.00 41.12 39.24 1xxm n ASP 1038CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1xxm s SER 1039N -0.77 5.48 -0.21 -1.12 0.01 -0.50 -4.47 113.70 112.11 1xxm s SER 1039Ca 0.43 0.30 -0.01 0.00 1.31 0.00 0.00 55.95 57.98 1xxm s SER 1039Cb 0.29 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 65.23 1xxm s SER 1039CO 0.19 -1.03 -0.11 -0.63 0.41 0.00 0.00 173.24 172.07 1xxm s ILE 1040N -2.80 2.68 -0.22 1.44 1.01 0.34 -4.14 121.20 119.52 1xxm s ILE 1040Ca 0.54 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1xxm s ILE 1040Cb -0.10 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1xxm s ILE 1040CO 0.40 0.39 0.03 -2.28 0.00 0.00 0.00 174.94 173.48 1xxm s HIS 1041N 1.35 3.07 -0.09 3.97 5.65 0.13 -0.32 115.29 129.05 1xxm s HIS 1041Ca 0.03 -0.42 0.04 0.00 0.25 0.00 0.00 55.06 54.96 1xxm s HIS 1041Cb -0.15 -2.14 -0.00 0.00 -1.18 0.00 0.00 32.58 29.11 1xxm s HIS 1041CO -0.07 -0.27 -0.23 0.00 -0.65 0.00 0.00 174.74 173.51 1xxm s ARG 1043N 0.22 4.20 0.00 0.00 0.52 0.79 -1.46 118.95 123.22 1xxm s ARG 1043Ca -0.15 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 1xxm s ARG 1043Cb -0.17 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.01 1xxm s ARG 1043CO 0.08 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.31 1xxm n GLY 1044N 2.18 1.80 3.82 -3.53 0.00 0.91 -1.49 105.19 108.88 1xxm n GLY 1044Ca -0.09 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 1xxm n GLY 1044CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xxm s HIS 1045N 3.30 3.02 0.54 1.61 0.00 -1.26 -4.59 115.29 117.90 1xxm s HIS 1045Ca 0.00 1.24 -0.21 0.00 -3.00 0.00 0.00 55.06 53.08 1xxm s HIS 1045Cb 0.00 -3.02 -0.05 0.00 -4.00 0.00 0.00 32.58 25.51 1xxm s HIS 1045CO 0.00 -1.48 1.27 0.00 -1.00 0.00 0.00 174.74 173.54 1xxm s ALA 1046N -3.14 2.79 -0.28 -1.38 0.00 -1.26 -0.82 121.76 117.66 1xxm s ALA 1046Ca 0.59 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 53.55 1xxm s ALA 1046Cb -0.14 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.58 1xxm s ALA 1046CO 0.54 -1.14 0.73 0.00 0.00 0.00 0.00 175.76 175.89 1xxm s ALA 1047N -1.43 -1.96 0.00 0.00 0.00 -0.74 -4.69 121.76 112.95 1xxm s ALA 1047Ca 0.71 2.39 0.00 0.00 0.00 0.00 0.00 51.96 55.06 1xxm s ALA 1047Cb -0.35 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1xxm s ALA 1047CO 0.41 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1xxm n GLY 1048N 4.28 3.50 0.71 0.00 0.00 -0.72 -1.39 105.19 111.57 1xxm n GLY 1048Ca -0.19 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 45.83 1xxm n GLY 1048CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xxm n ASP 1049N 7.74 3.51 0.00 1.61 2.03 -1.26 -4.96 116.55 125.22 1xxm n ASP 1049Ca 0.00 -2.97 0.00 0.00 0.52 0.00 0.00 54.79 52.34 1xxm n ASP 1049Cb 0.00 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1xxm n ASP 1049CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xxm n TYR 1050N -0.64 0.00 -3.79 -0.67 9.36 -0.49 -5.19 117.16 115.74 1xxm n TYR 1050Ca 0.20 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.32 1xxm n TYR 1050Cb 0.81 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.48 1xxm n TYR 1050CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1xxm s TYR 1051N 2.73 -0.02 0.57 2.98 1.51 -1.19 -1.78 117.35 122.15 1xxm s TYR 1051Ca 0.00 -0.33 -0.17 0.00 -1.01 0.00 0.00 57.07 55.56 1xxm s TYR 1051Cb 0.00 0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 42.12 1xxm s TYR 1051CO 0.00 -0.89 1.08 0.00 -1.11 0.00 0.00 175.55 174.62 1xxm s ALA 1052N -3.89 2.71 0.27 3.71 0.00 -0.00 -4.72 121.76 119.83 1xxm s ALA 1052Ca 0.11 0.56 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 1xxm s ALA 1052Cb -0.00 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1xxm s ALA 1052CO -0.02 -0.79 0.75 1.52 0.00 0.00 0.00 175.76 177.22 1xxm s TYR 1053N -2.19 -0.17 0.03 0.00 -0.85 -0.58 -0.06 117.35 113.53 1xxm s TYR 1053Ca 0.67 -0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.95 1xxm s TYR 1053Cb -0.19 0.71 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1xxm s TYR 1053CO 0.32 -1.22 -0.07 0.00 -1.52 0.00 0.00 175.55 173.07 1xxm s ALA 1054N -3.77 0.49 -0.06 9.51 0.00 -0.54 -1.75 121.76 125.65 1xxm s ALA 1054Ca 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1xxm s ALA 1054Cb -0.06 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1xxm s ALA 1054CO 0.07 0.01 -0.03 0.99 0.00 0.00 0.00 175.76 176.80 1xxm s THR 1055N -0.99 0.51 -0.23 0.00 2.01 0.21 -0.77 115.64 116.37 1xxm s THR 1055Ca -0.07 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 1xxm s THR 1055Cb -0.07 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1xxm s THR 1055CO 0.00 0.25 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.78 1xxm s PHE 1056N 1.36 2.99 0.21 4.92 0.08 0.56 -1.18 117.98 126.92 1xxm s PHE 1056Ca -0.04 -1.08 -0.11 0.00 0.12 0.00 0.00 56.93 55.82 1xxm s PHE 1056Cb -0.13 -2.11 -0.07 0.00 -0.57 0.00 0.00 43.02 40.14 1xxm s PHE 1056CO -0.02 -0.59 0.55 0.20 -0.10 0.00 0.00 175.22 175.25 1xxm s GLY 1057N 1.45 2.33 0.23 4.36 0.00 -0.42 -0.50 107.32 114.76 1xxm s GLY 1057Ca 0.04 -0.23 0.11 0.00 0.00 0.00 0.00 44.72 44.64 1xxm s GLY 1057CO -0.03 -0.06 -0.21 -1.36 0.00 0.00 0.00 173.10 171.44 1xxm s PHE 1058N -1.73 2.21 0.59 1.90 0.40 -1.26 -0.97 117.98 119.12 1xxm s PHE 1058Ca 0.45 -0.37 0.29 0.00 -0.60 0.00 0.00 56.93 56.70 1xxm s PHE 1058Cb -0.12 -1.02 1.78 0.00 0.51 0.00 0.00 43.02 44.17 1xxm s PHE 1058CO 0.20 0.58 2.22 1.79 0.70 0.00 0.00 175.22 180.72 1xxm h THR 1059N 2.72 0.52 -2.41 0.64 1.35 -1.24 -3.45 112.91 111.05 1xxm h THR 1059Ca -0.42 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.53 1xxm h THR 1059Cb 1.23 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 1xxm h THR 1059CO 0.55 0.00 0.40 -1.54 -0.25 0.00 0.00 175.52 174.68 1xxm n SER 1060N -3.85 -1.40 0.12 5.36 3.41 -1.26 -4.99 113.62 111.01 1xxm n SER 1060Ca -0.02 -1.79 0.12 0.00 -0.26 0.00 0.00 58.87 56.92 1xxm n SER 1060Cb 0.13 2.29 0.27 0.00 -0.26 0.00 0.00 64.21 66.65 1xxm n SER 1060CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xxm h ALA 1061N 2.00 0.88 -2.59 7.33 0.00 -1.90 -3.44 119.26 121.53 1xxm h ALA 1061Ca -0.22 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.12 1xxm h ALA 1061Cb 0.91 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.87 1xxm h ALA 1061CO 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.31 1xxm n ALA 1062N -1.89 -0.83 0.29 0.00 0.00 -1.26 -4.86 120.51 111.94 1xxm n ALA 1062Ca 0.04 -0.09 0.18 0.00 0.00 0.00 0.00 53.44 53.58 1xxm n ALA 1062Cb 0.46 -1.93 0.75 0.00 0.00 0.00 0.00 19.45 18.74 1xxm n ALA 1062CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxm h ALA 1063N 0.09 1.00 -0.62 0.00 0.00 -2.03 -2.54 119.26 115.16 1xxm h ALA 1063Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xxm h ALA 1063Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xxm h ALA 1063CO 0.47 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 1xxm n ASP 1064N -3.08 4.65 -4.72 0.00 5.75 -1.26 -4.52 116.55 113.36 1xxm n ASP 1064Ca 0.00 -2.45 -0.32 0.00 -0.01 0.00 0.00 54.79 52.01 1xxm n ASP 1064Cb 0.28 -0.56 0.11 0.00 -1.03 0.00 0.00 41.12 39.92 1xxm n ASP 1064CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xxm s ALA 1065N -1.85 1.95 0.16 2.12 0.00 -0.96 -4.97 121.76 118.22 1xxm s ALA 1065Ca 0.50 0.59 0.09 0.00 0.00 0.00 0.00 51.96 53.13 1xxm s ALA 1065Cb 0.32 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1xxm s ALA 1065CO 0.24 -2.11 -0.13 0.15 0.00 0.00 0.00 175.76 173.91 1xxm s LYS 1066N -4.45 1.95 -0.03 0.00 -0.14 -1.26 -4.04 119.74 111.77 1xxm s LYS 1066Ca 0.67 -1.26 -0.30 0.00 -1.36 0.00 0.00 55.97 53.73 1xxm s LYS 1066Cb -0.23 -2.13 -0.06 0.00 -1.68 0.00 0.00 37.83 33.73 1xxm s LYS 1066CO 0.52 0.45 1.66 0.08 -0.76 0.00 0.00 175.35 177.29 1xxm s VAL 1067N -1.55 3.48 -0.07 3.17 1.01 0.07 -0.68 120.40 125.83 1xxm s VAL 1067Ca 0.23 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1xxm s VAL 1067Cb -0.09 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1xxm s VAL 1067CO 0.13 -0.05 0.64 -0.90 0.00 0.00 0.00 175.10 174.92 1xxm n ASP 1068N 6.83 1.29 -3.67 3.32 5.68 -0.14 -0.81 116.55 129.05 1xxm n ASP 1068Ca 0.17 -1.26 -0.14 0.00 -0.50 0.00 0.00 54.79 53.06 1xxm n ASP 1068Cb 0.42 -0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.32 1xxm n ASP 1068CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1xxm s SER 1069N -0.28 -0.57 -0.06 -1.12 1.04 -1.16 -1.02 113.70 110.54 1xxm s SER 1069Ca 0.01 1.01 0.01 0.00 0.48 0.00 0.00 55.95 57.46 1xxm s SER 1069Cb 0.01 1.02 0.02 0.00 0.10 0.00 0.00 66.02 67.17 1xxm s SER 1069CO 0.01 -0.26 -0.06 -0.54 0.98 0.00 0.00 173.24 173.36 1xxm s LYS 1070N -0.00 1.11 0.05 4.02 1.02 -0.35 -1.31 119.74 124.29 1xxm s LYS 1070Ca -0.02 -0.18 0.03 0.00 0.02 0.00 0.00 55.97 55.81 1xxm s LYS 1070Cb -0.04 -1.09 -0.03 0.00 -0.52 0.00 0.00 37.83 36.16 1xxm s LYS 1070CO 0.02 -0.10 -0.09 -1.12 -0.92 0.00 0.00 175.35 173.15 1xxm s SER 1071N 1.06 1.02 0.07 2.83 0.01 -0.32 -1.46 113.70 116.91 1xxm s SER 1071Ca -0.08 -0.61 -0.26 0.00 1.31 0.00 0.00 55.95 56.31 1xxm s SER 1071Cb -0.14 0.03 0.08 0.00 0.21 0.00 0.00 66.02 66.19 1xxm s SER 1071CO -0.01 -0.21 0.67 0.00 0.41 0.00 0.00 173.24 174.10 1xxm s GLN 1072N -1.84 1.15 -0.06 12.44 1.03 -0.34 -0.62 119.66 131.40 1xxm s GLN 1072Ca -0.06 -0.22 -0.03 0.00 0.04 0.00 0.00 55.36 55.09 1xxm s GLN 1072Cb -0.08 0.53 0.04 0.00 0.03 0.00 0.00 33.01 33.52 1xxm s GLN 1072CO 0.00 -0.46 0.15 -1.21 -2.54 0.00 0.00 175.29 171.23 1xxm s GLU 1073N -2.84 0.10 -1.73 9.60 2.02 -0.71 -4.56 118.70 120.57 1xxm s GLU 1073Ca -0.02 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1xxm s GLU 1073Cb -0.01 -0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.06 1xxm s GLU 1073CO -0.05 -0.16 0.00 0.00 0.02 0.00 0.00 175.26 175.07 1xxm n ALA 1074N 4.12 -0.26 -0.07 5.21 0.00 -1.26 -1.53 120.51 126.72 1xxm n ALA 1074Ca -0.26 0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1xxm n ALA 1074Cb 0.52 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 1xxm n ALA 1074CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xxm n LEU 1075N -1.90 0.50 -4.62 0.00 4.77 -1.26 -4.80 117.00 109.69 1xxm n LEU 1075Ca -0.17 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 1xxm n LEU 1075Cb 0.55 0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.70 1xxm n LEU 1075CO 0.25 0.39 -0.34 -0.76 -1.33 0.00 0.00 177.39 175.60 1xxm s LEU 1076N -5.10 3.37 -0.06 2.23 1.43 -1.26 -3.31 118.68 115.98 1xxm s LEU 1076Ca -0.09 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1xxm s LEU 1076Cb 0.04 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1xxm s LEU 1076CO 0.49 0.34 -0.08 0.00 0.23 0.00 0.00 176.35 177.33 1xxm s ALA 1077N -0.68 2.92 0.10 4.21 0.00 -1.26 -4.99 121.76 122.06 1xxm s ALA 1077Ca 0.11 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.84 1xxm s ALA 1077Cb -0.12 -1.17 -0.08 0.00 0.00 0.00 0.00 23.12 21.76 1xxm s ALA 1077CO 0.02 0.57 1.39 -1.25 0.00 0.00 0.00 175.76 176.50 1xxm s PRO 1078N -0.84 4.32 0.38 0.00 0.04 -1.26 -4.91 135.00 132.73 1xxm s PRO 1078Ca 0.13 2.07 0.07 0.00 0.04 0.00 0.00 61.00 63.30 1xxm s PRO 1078Cb -0.11 -3.29 0.76 0.00 0.04 0.00 0.00 34.50 31.90 1xxm s PRO 1078CO 0.02 -0.45 1.96 0.66 0.04 0.00 0.00 177.00 179.22 1xxm h SER 1079N 6.93 0.40 -1.09 6.66 4.64 -1.83 -3.38 113.55 125.89 1xxm h SER 1079Ca -0.42 -0.05 -0.30 0.00 -0.47 0.00 0.00 61.79 60.55 1xxm h SER 1079Cb 1.21 -0.10 -0.22 0.00 -0.31 0.00 0.00 62.40 62.97 1xxm h SER 1079CO 0.87 0.42 -0.66 0.00 -0.87 0.00 0.00 176.83 176.59 1xxm n ALA 1080N -2.48 -0.34 -1.88 5.18 0.00 0.11 -5.02 120.51 116.08 1xxm n ALA 1080Ca 0.01 -1.81 -0.43 0.00 0.00 0.00 0.00 53.44 51.21 1xxm n ALA 1080Cb 0.18 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1xxm n ALA 1080CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xxm s PRO 1081N 0.41 3.39 -0.02 0.00 0.04 -0.98 -3.03 135.00 134.82 1xxm s PRO 1081Ca 0.32 1.73 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1xxm s PRO 1081Cb 0.10 -4.22 0.04 0.00 0.04 0.00 0.00 34.50 30.45 1xxm s PRO 1081CO -0.14 -1.79 0.85 0.25 0.04 0.00 0.00 177.00 176.21 1xxm n THR 1082N 7.26 0.68 -1.91 1.26 -2.24 -1.25 -3.35 114.28 114.74 1xxm n THR 1082Ca 0.24 -0.73 -0.37 0.00 -2.27 0.00 0.00 64.05 60.92 1xxm n THR 1082Cb 0.46 0.58 0.04 0.00 -2.10 0.00 0.00 70.33 69.30 1xxm n THR 1082CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xxm s LEU 1083N -0.80 3.76 0.18 3.22 2.96 -1.18 -4.87 118.68 121.95 1xxm s LEU 1083Ca 0.04 2.56 -0.09 0.00 -0.22 0.00 0.00 54.13 56.42 1xxm s LEU 1083Cb 0.03 -4.44 -0.01 0.00 0.50 0.00 0.00 46.19 42.27 1xxm s LEU 1083CO 0.00 -1.58 0.31 0.42 -1.32 0.00 0.00 176.35 174.18 1xxm s THR 1084N -1.44 0.05 0.24 3.68 -4.23 -1.26 -4.12 115.64 108.55 1xxm s THR 1084Ca 0.75 -1.44 -0.07 0.00 -1.18 0.00 0.00 61.69 59.75 1xxm s THR 1084Cb -0.35 -1.97 0.21 0.00 1.34 0.00 0.00 72.50 71.73 1xxm s THR 1084CO 0.40 -0.21 1.87 0.25 -0.54 0.00 0.00 174.62 176.39 1xxm h LEU 1085N 2.49 0.91 0.09 4.79 5.85 -0.93 -1.06 115.31 127.45 1xxm h LEU 1085Ca -0.31 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1xxm h LEU 1085Cb 1.23 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1xxm h LEU 1085CO 0.46 0.61 -0.14 0.00 -0.34 0.00 0.00 178.44 179.03 1xxm h ALA 1086N 1.37 -0.24 -0.84 1.25 0.00 -1.96 -0.91 119.26 117.92 1xxm h ALA 1086Ca 0.35 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1xxm h ALA 1086Cb 0.05 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1xxm h ALA 1086CO -0.13 -0.67 0.55 0.87 0.00 0.00 0.00 179.25 179.87 1xxm h LYS 1087N -0.29 1.12 -0.48 0.00 1.57 -1.80 -2.02 116.57 114.66 1xxm h LYS 1087Ca 0.02 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1xxm h LYS 1087Cb 0.30 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1xxm h LYS 1087CO -0.08 0.75 0.26 0.35 -0.57 0.00 0.00 179.45 180.17 1xxm h PHE 1088N 1.15 0.48 0.00 -1.35 3.57 -0.85 -1.05 116.94 118.88 1xxm h PHE 1088Ca 0.31 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1xxm h PHE 1088Cb -0.11 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 1xxm h PHE 1088CO -0.01 0.25 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.35 1xxm h ASN 1089N 0.52 0.00 1.40 0.41 -0.26 -0.58 -1.48 115.58 115.59 1xxm h ASN 1089Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1xxm h ASN 1089Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1xxm h ASN 1089CO -0.13 0.06 0.00 1.56 -1.06 0.00 0.00 177.43 177.87 1xxm h GLN 1090N 0.00 0.00 -6.68 0.81 4.20 -0.51 -3.44 115.11 109.49 1xxm h GLN 1090Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1xxm h GLN 1090Cb 0.13 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.93 1xxm h GLN 1090CO 0.01 0.00 0.56 0.08 -0.67 0.00 0.00 178.83 178.81 1xxm s VAL 1091N -3.20 3.52 -0.01 -0.54 1.01 -0.56 -5.03 120.40 115.59 1xxm s VAL 1091Ca 0.08 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.40 1xxm s VAL 1091Cb 0.10 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1xxm s VAL 1091CO 0.57 0.22 -0.14 0.42 0.00 0.00 0.00 175.10 176.16 1xxm s THR 1092N -0.14 1.13 0.24 3.92 -4.23 -1.26 -5.04 115.64 110.25 1xxm s THR 1092Ca 0.52 -0.64 -0.31 0.00 -1.18 0.00 0.00 61.69 60.08 1xxm s THR 1092Cb -0.33 -0.95 -0.12 0.00 1.34 0.00 0.00 72.50 72.44 1xxm s THR 1092CO 0.37 0.30 1.60 0.52 -0.54 0.00 0.00 174.62 176.87 1xxm n VAL 1093N 2.67 0.57 0.00 2.29 0.31 -1.26 -2.06 118.33 120.84 1xxm n VAL 1093Ca -0.14 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1xxm n VAL 1093Cb 0.55 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1xxm n VAL 1093CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xxm n GLY 1094N 2.86 1.67 3.79 2.92 0.00 -0.47 -5.01 105.19 110.95 1xxm n GLY 1094Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1xxm n GLY 1094CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxm s MET 1095N -0.46 3.55 0.83 1.61 1.00 -0.88 -4.66 119.30 120.30 1xxm s MET 1095Ca 0.00 1.40 -0.12 0.00 0.00 0.00 0.00 55.69 56.97 1xxm s MET 1095Cb 0.00 -2.05 0.10 0.00 0.00 0.00 0.00 34.83 32.88 1xxm s MET 1095CO 0.00 -0.64 1.19 0.95 0.00 0.00 0.00 175.02 176.51 1xxm s THR 1096N -2.03 2.03 0.27 2.05 -4.23 -1.26 -0.42 115.64 112.04 1xxm s THR 1096Ca 0.68 -0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1xxm s THR 1096Cb -0.18 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.92 1xxm s THR 1096CO 0.26 0.00 1.94 -0.09 -0.54 0.00 0.00 174.62 176.19 1xxm h ARG 1097N -1.11 1.24 -0.06 3.99 2.43 -1.90 -1.40 114.38 117.57 1xxm h ARG 1097Ca -0.45 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1xxm h ARG 1097Cb 1.31 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1xxm h ARG 1097CO 0.60 0.83 0.03 0.00 -1.51 0.00 0.00 179.97 179.92 1xxm h ALA 1098N 1.40 0.08 -0.90 2.80 0.00 -1.92 -1.32 119.26 119.39 1xxm h ALA 1098Ca 0.34 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1xxm h ALA 1098Cb -0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xxm h ALA 1098CO -0.07 -0.40 0.60 1.96 0.00 0.00 0.00 179.25 181.34 1xxm h GLN 1099N 0.03 1.19 -0.25 0.00 4.20 -1.85 -1.53 115.11 116.89 1xxm h GLN 1099Ca 0.02 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1xxm h GLN 1099Cb 0.05 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1xxm h GLN 1099CO -0.00 0.78 0.14 0.28 -0.67 0.00 0.00 178.83 179.37 1xxm h VAL 1100N 1.22 1.11 -0.44 -0.54 2.07 -0.95 -2.15 116.25 116.57 1xxm h VAL 1100Ca 0.33 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 1xxm h VAL 1100Cb -0.14 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1xxm h VAL 1100CO -0.07 0.10 0.01 -0.07 0.02 0.00 0.00 177.57 177.56 1xxm h LEU 1101N 0.30 0.67 -1.80 2.57 3.38 -0.99 0.34 115.31 119.79 1xxm h LEU 1101Ca 0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1xxm h LEU 1101Cb 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xxm h LEU 1101CO -0.02 0.74 -0.15 0.00 0.09 0.00 0.00 178.44 179.11 1xxm h ALA 1102N 1.34 1.35 0.11 1.53 0.00 -1.01 0.13 119.26 122.71 1xxm h ALA 1102Ca 0.14 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1xxm h ALA 1102Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xxm h ALA 1102CO 0.02 0.19 -1.30 1.15 0.00 0.00 0.00 179.25 179.30 1xxm h THR 1103N 0.00 1.11 0.00 0.00 2.02 -0.61 -3.39 112.91 112.04 1xxm h THR 1103Ca -0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1xxm h THR 1103Cb 0.37 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1xxm h THR 1103CO 0.02 0.69 -0.79 1.33 0.37 0.00 0.00 175.52 177.14 1xxm n VAL 1104N -3.98 0.06 0.00 3.16 0.24 0.00 -4.83 118.33 112.98 1xxm n VAL 1104Ca -0.23 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1xxm n VAL 1104Cb 0.88 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1xxm n VAL 1104CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xxm n GLY 1105N 1.45 3.25 0.32 7.63 0.00 0.45 -3.62 105.19 114.67 1xxm n GLY 1105Ca 0.04 -1.37 0.20 0.00 0.00 0.00 0.00 46.02 44.89 1xxm n GLY 1105CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xxm h GLN 1106N 0.00 0.00 0.00 1.61 1.08 -1.86 -2.89 115.11 113.05 1xxm h GLN 1106Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1xxm h GLN 1106Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1xxm h GLN 1106CO 0.00 0.01 -0.30 0.41 -0.95 0.00 0.00 178.83 178.00 1xxm n GLY 1107N -0.97 4.36 0.02 3.46 0.00 -1.25 -4.70 105.19 106.11 1xxm n GLY 1107Ca -0.02 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.02 1xxm n GLY 1107CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xxm n SER 1108N -1.07 0.59 -4.46 1.61 7.64 -1.09 0.09 113.62 116.94 1xxm n SER 1108Ca 0.15 -0.21 -0.24 0.00 1.01 0.00 0.00 58.87 59.58 1xxm n SER 1108Cb 0.70 0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 64.17 1xxm n SER 1108CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xxm s THR 1110N -2.35 0.92 -0.38 0.00 -4.23 -0.14 -4.75 115.64 104.71 1xxm s THR 1110Ca 0.28 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.56 1xxm s THR 1110Cb -0.06 -1.79 0.01 0.00 1.34 0.00 0.00 72.50 72.01 1xxm s THR 1110CO 0.14 -0.79 0.77 -0.89 -0.54 0.00 0.00 174.62 173.30 1xxm s THR 1111N -3.48 4.73 -0.05 3.99 2.01 -1.26 -1.19 115.64 120.38 1xxm s THR 1111Ca 0.15 0.74 -0.23 0.00 0.31 0.00 0.00 61.69 62.66 1xxm s THR 1111Cb 0.04 -4.23 -0.27 0.00 0.01 0.00 0.00 72.50 68.06 1xxm s THR 1111CO -0.02 -0.49 0.96 -0.25 -0.69 0.00 0.00 174.62 174.12 1xxm h TRP 1112N 8.60 0.42 -2.67 4.92 2.91 -0.88 -3.39 115.95 125.86 1xxm h TRP 1112Ca -0.25 -0.27 -0.11 0.00 1.13 0.00 0.00 58.89 59.40 1xxm h TRP 1112Cb 1.09 -0.03 -0.23 0.00 -0.51 0.00 0.00 29.16 29.48 1xxm h TRP 1112CO 0.79 1.14 -0.19 0.45 -1.03 0.00 0.00 178.44 179.60 1xxm s SER 1113N -6.66 -0.45 -0.09 2.65 0.15 -0.79 -1.20 113.70 107.32 1xxm s SER 1113Ca -0.15 0.82 -0.03 0.00 0.70 0.00 0.00 55.95 57.29 1xxm s SER 1113Cb 0.01 0.85 0.05 0.00 -1.71 0.00 0.00 66.02 65.21 1xxm s SER 1113CO 0.79 -0.20 0.16 -0.70 1.20 0.00 0.00 173.24 174.49 1xxm s GLU 1114N 0.05 0.04 -0.01 5.44 2.12 -0.54 0.35 118.70 126.15 1xxm s GLU 1114Ca -0.02 0.55 0.01 0.00 0.36 0.00 0.00 54.97 55.87 1xxm s GLU 1114Cb -0.03 -0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.04 1xxm s GLU 1114CO 0.01 -0.32 -0.05 -0.47 -0.54 0.00 0.00 175.26 173.89 1xxm s TYR 1115N 2.29 0.47 -0.60 5.30 6.04 -0.21 -1.21 117.35 129.43 1xxm s TYR 1115Ca 0.03 -0.09 -0.02 0.00 0.04 0.00 0.00 57.07 57.03 1xxm s TYR 1115Cb -0.12 -0.34 0.16 0.00 -1.04 0.00 0.00 41.96 40.62 1xxm s TYR 1115CO -0.06 -0.04 0.41 0.71 -1.54 0.00 0.00 175.55 175.03 1xxm s TYR 1116N 0.08 3.41 0.61 4.97 1.51 -0.19 -0.95 117.35 126.80 1xxm s TYR 1116Ca -0.00 -2.72 0.32 0.00 -1.01 0.00 0.00 57.07 53.66 1xxm s TYR 1116Cb -0.04 -3.18 1.86 0.00 -0.11 0.00 0.00 41.96 40.49 1xxm s TYR 1116CO -0.00 -0.85 2.19 -1.00 -1.11 0.00 0.00 175.55 174.78 1xxm h PRO 1117N 7.08 0.00 -0.24 -1.71 0.13 -1.82 -2.16 132.00 133.28 1xxm h PRO 1117Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1xxm h PRO 1117Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1xxm h PRO 1117CO 0.71 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 1xxm n ALA 1118N -2.24 2.92 -1.51 -0.56 0.00 -1.26 -5.05 120.51 112.81 1xxm n ALA 1118Ca -0.01 -2.31 -0.48 0.00 0.00 0.00 0.00 53.44 50.64 1xxm n ALA 1118Cb 0.20 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1xxm n ALA 1118CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xxm n TYR 1119N -0.56 0.61 0.27 0.00 4.19 -0.81 -0.50 117.16 120.36 1xxm n TYR 1119Ca 0.21 0.82 0.16 0.00 3.31 0.00 0.00 57.90 62.39 1xxm n TYR 1119Cb 0.86 -2.14 0.78 0.00 0.49 0.00 0.00 39.34 39.33 1xxm n TYR 1119CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1xxm h PRO 1120N 2.06 0.00 -6.95 2.98 0.13 -1.96 -3.51 132.00 124.75 1xxm h PRO 1120Ca -0.37 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.25 1xxm h PRO 1120Cb 1.38 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.57 1xxm h PRO 1120CO 0.62 0.00 0.52 0.45 -0.23 0.00 0.00 178.00 179.36 1xxm s SER 1121N -4.60 6.43 0.00 1.44 0.15 0.34 -4.93 113.70 112.53 1xxm s SER 1121Ca -0.02 2.39 0.23 0.00 0.70 0.00 0.00 55.95 59.26 1xxm s SER 1121Cb 0.09 -2.62 0.54 0.00 -1.71 0.00 0.00 66.02 62.33 1xxm s SER 1121CO 0.33 -0.74 1.45 0.35 1.20 0.00 0.00 173.24 175.83 1xxm n THR 1122N 0.00 0.27 -2.07 6.45 -2.24 -1.26 -4.16 114.28 111.26 1xxm n THR 1122Ca 0.05 -0.53 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 1xxm n THR 1122Cb 0.46 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 1xxm n THR 1122CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xxm s ALA 1123N -1.73 3.58 0.00 6.98 0.00 -1.26 -2.43 121.76 126.89 1xxm s ALA 1123Ca 0.35 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1xxm s ALA 1123Cb 0.20 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1xxm s ALA 1123CO 0.30 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1xxm n GLY 1124N 1.92 0.76 3.59 0.00 0.00 -1.26 -4.18 105.19 106.02 1xxm n GLY 1124Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 1xxm n GLY 1124CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xxm n VAL 1125N -2.41 0.74 -4.79 1.61 3.14 -1.02 -4.56 118.33 111.03 1xxm n VAL 1125Ca 0.00 -0.18 -0.33 0.00 -2.96 0.00 0.00 64.34 60.87 1xxm n VAL 1125Cb 0.00 -0.90 -0.13 0.00 -1.06 0.00 0.00 33.84 31.75 1xxm n VAL 1125CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1xxm s THR 1126N -0.06 3.19 -0.05 1.55 -4.23 -0.12 -0.66 115.64 115.27 1xxm s THR 1126Ca 0.75 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1xxm s THR 1126Cb -0.85 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 70.72 1xxm s THR 1126CO 0.51 0.57 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.88 1xxm s LEU 1127N -0.35 1.36 -0.14 4.79 2.96 -0.55 -1.04 118.68 125.70 1xxm s LEU 1127Ca 0.04 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1xxm s LEU 1127Cb -0.13 -0.50 -0.00 0.00 0.50 0.00 0.00 46.19 46.06 1xxm s LEU 1127CO 0.02 -0.05 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.41 1xxm s SER 1128N 0.91 3.64 0.01 3.68 0.01 0.15 0.26 113.70 122.37 1xxm s SER 1128Ca -0.11 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1xxm s SER 1128Cb -0.14 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1xxm s SER 1128CO 0.00 0.11 -0.01 -0.76 0.41 0.00 0.00 173.24 172.99 1xxm s LEU 1129N 0.66 3.44 -0.22 2.44 1.43 0.77 -0.27 118.68 126.93 1xxm s LEU 1129Ca -0.08 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1xxm s LEU 1129Cb -0.16 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1xxm s LEU 1129CO 0.02 0.26 -0.11 -0.94 0.23 0.00 0.00 176.35 175.81 1xxm s SER 1130N -1.65 3.85 0.14 2.29 1.04 -0.33 -1.72 113.70 117.32 1xxm s SER 1130Ca 0.20 -0.71 0.10 0.00 0.48 0.00 0.00 55.95 56.02 1xxm s SER 1130Cb -0.11 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1xxm s SER 1130CO 0.11 -0.06 -0.23 0.00 0.98 0.00 0.00 173.24 174.04 1xxm s PHE 1132N -1.20 0.93 0.71 0.00 0.40 -0.03 -0.23 117.98 118.56 1xxm s PHE 1132Ca 0.17 -0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 55.62 1xxm s PHE 1132Cb -0.10 -0.52 0.15 0.00 0.51 0.00 0.00 43.02 43.06 1xxm s PHE 1132CO 0.08 -0.09 0.97 -0.40 0.70 0.00 0.00 175.22 176.48 1xxm n ASP 1133N 0.25 0.58 -0.27 1.36 5.68 -0.84 -3.09 116.55 120.22 1xxm n ASP 1133Ca -0.14 -1.66 0.09 0.00 -0.50 0.00 0.00 54.79 52.58 1xxm n ASP 1133Cb 0.59 -0.69 0.19 0.00 -1.14 0.00 0.00 41.12 40.07 1xxm n ASP 1133CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1xxm n VAL 1134N -3.08 -0.33 -1.40 2.12 3.14 -1.21 -1.26 118.33 116.31 1xxm n VAL 1134Ca 0.14 1.73 0.07 0.00 -2.96 0.00 0.00 64.34 63.32 1xxm n VAL 1134Cb 0.48 -2.48 0.14 0.00 -1.06 0.00 0.00 33.84 30.92 1xxm n VAL 1134CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1xxm n ASP 1135N -5.15 1.82 -0.05 6.55 8.00 -1.26 -4.80 116.55 121.67 1xxm n ASP 1135Ca 0.16 -3.12 -0.08 0.00 0.71 0.00 0.00 54.79 52.46 1xxm n ASP 1135Cb 0.52 -0.42 0.09 0.00 -0.02 0.00 0.00 41.12 41.29 1xxm n ASP 1135CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1xxm h GLY 1136N 0.33 0.76 -3.91 0.44 0.00 -1.14 -3.43 103.07 96.11 1xxm h GLY 1136Ca -0.01 -0.70 -0.51 0.00 0.00 0.00 0.00 47.33 46.10 1xxm h GLY 1136CO 0.01 0.64 0.52 -0.47 0.00 0.00 0.00 176.54 177.24 1xxm s TYR 1137N -4.42 3.46 -0.17 5.60 5.04 -1.26 -0.97 117.35 124.63 1xxm s TYR 1137Ca -0.09 1.59 -0.04 0.00 -2.44 0.00 0.00 57.07 56.09 1xxm s TYR 1137Cb 0.12 -3.38 0.08 0.00 0.35 0.00 0.00 41.96 39.13 1xxm s TYR 1137CO 0.83 -0.92 0.24 0.45 -1.34 0.00 0.00 175.55 174.82 1xxm s SER 1138N -0.56 0.86 0.06 4.32 0.15 -1.26 -4.93 113.70 112.34 1xxm s SER 1138Ca 0.47 0.16 0.27 0.00 0.70 0.00 0.00 55.95 57.55 1xxm s SER 1138Cb -0.33 0.54 0.88 0.00 -1.71 0.00 0.00 66.02 65.40 1xxm s SER 1138CO 0.42 -0.29 1.71 -1.54 1.20 0.00 0.00 173.24 174.75 1xxm n SER 1139N 5.33 0.36 0.00 5.45 3.41 -1.26 -4.10 113.62 122.82 1xxm n SER 1139Ca -0.05 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1xxm n SER 1139Cb 0.50 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1xxm n SER 1139CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xxm n THR 1140N -1.74 0.00 0.00 6.66 -2.24 -1.26 -4.76 114.28 110.95 1xxm n THR 1140Ca 0.06 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1xxm n THR 1140Cb 0.37 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1xxm n THR 1140CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xxm n GLY 1141N 0.81 1.45 2.98 3.38 0.00 -1.26 -1.75 105.19 110.80 1xxm n GLY 1141Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1xxm n GLY 1141CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxm s ALA 1142N -2.25 0.26 0.31 4.61 0.00 -1.26 -3.58 121.76 119.85 1xxm s ALA 1142Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 1xxm s ALA 1142Cb 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 23.12 23.07 1xxm s ALA 1142CO 0.00 -0.07 1.52 0.00 0.00 0.00 0.00 175.76 177.21 1xxm n ALA 1143N 1.94 2.19 -3.69 0.00 0.00 -1.26 -4.62 120.51 115.06 1xxm n ALA 1143Ca -0.21 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1xxm n ALA 1143Cb 0.56 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.45 1xxm n ALA 1143CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xxm s ARG 1144N -0.99 0.60 0.00 0.00 0.52 -0.14 -4.90 118.95 114.03 1xxm s ARG 1144Ca 0.61 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 1xxm s ARG 1144Cb -0.52 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1xxm s ARG 1144CO 0.53 -1.00 0.00 0.41 0.02 0.00 0.00 175.30 175.27 1xxm n GLY 1145N 4.93 -0.48 3.24 -3.53 0.00 -1.03 -3.19 105.19 105.12 1xxm n GLY 1145Ca -0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1xxm n GLY 1145CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xxm n SER 1146N -0.41 -1.25 -3.66 1.61 3.41 -0.66 -1.98 113.62 110.67 1xxm n SER 1146Ca 0.00 -2.86 -0.13 0.00 -0.26 0.00 0.00 58.87 55.62 1xxm n SER 1146Cb 0.00 2.38 -0.06 0.00 -0.26 0.00 0.00 64.21 66.26 1xxm n SER 1146CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xxm s ALA 1147N -2.79 -1.01 -0.20 7.33 0.00 0.68 -1.01 121.76 124.75 1xxm s ALA 1147Ca 0.29 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 1xxm s ALA 1147Cb -0.01 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1xxm s ALA 1147CO 0.21 -0.46 -0.11 -1.58 0.00 0.00 0.00 175.76 173.82 1xxm s HIS 1148N -2.46 2.88 -0.16 0.00 2.46 0.10 -1.08 115.29 117.03 1xxm s HIS 1148Ca -0.05 -1.27 0.01 0.00 0.47 0.00 0.00 55.06 54.22 1xxm s HIS 1148Cb -0.01 -2.02 0.02 0.00 -0.13 0.00 0.00 32.58 30.44 1xxm s HIS 1148CO -0.02 -0.67 -0.19 -0.51 -2.47 0.00 0.00 174.74 170.88 1xxm s LEU 1149N 1.39 2.02 -0.03 8.88 1.43 -0.70 -1.32 118.68 130.35 1xxm s LEU 1149Ca 0.05 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1xxm s LEU 1149Cb -0.14 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1xxm s LEU 1149CO -0.08 0.00 -0.22 -1.66 0.23 0.00 0.00 176.35 174.63 1xxm s TRP 1150N 1.24 2.46 0.24 0.29 -2.14 -0.93 -0.16 118.94 119.94 1xxm s TRP 1150Ca 0.03 -0.35 0.09 0.00 2.66 0.00 0.00 56.10 58.52 1xxm s TRP 1150Cb -0.13 -1.55 -0.05 0.00 -3.10 0.00 0.00 33.47 28.64 1xxm s TRP 1150CO -0.10 0.03 -0.14 -0.06 -2.66 0.00 0.00 176.95 174.02 1xxm s PHE 1151N -0.63 1.92 -0.03 1.66 0.40 0.14 -0.31 117.98 121.13 1xxm s PHE 1151Ca 0.10 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1xxm s PHE 1151Cb -0.10 -0.93 0.03 0.00 0.51 0.00 0.00 43.02 42.53 1xxm s PHE 1151CO -0.00 0.43 0.03 0.99 0.70 0.00 0.00 175.22 177.37 1xxm s THR 1152N -2.86 -0.00 -1.50 0.64 2.01 -0.91 -1.48 115.64 111.54 1xxm s THR 1152Ca 0.26 0.26 -0.13 0.00 0.31 0.00 0.00 61.69 62.39 1xxm s THR 1152Cb -0.01 -0.17 0.07 0.00 0.01 0.00 0.00 72.50 72.40 1xxm s THR 1152CO 0.10 0.14 1.01 0.47 -0.69 0.00 0.00 174.62 175.66 1xxm n ASP 1153N 4.64 -5.17 0.00 3.53 8.00 0.17 -1.94 116.55 125.78 1xxm n ASP 1153Ca -0.17 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1xxm n ASP 1153Cb 0.50 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 1xxm n ASP 1153CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xxm n GLY 1154N -1.74 0.30 3.22 0.44 0.00 -1.26 -5.01 105.19 101.13 1xxm n GLY 1154Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1xxm n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxm s VAL 1155N -1.63 2.16 0.09 1.61 1.01 -0.82 -2.60 120.40 120.22 1xxm s VAL 1155Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 61.98 60.69 1xxm s VAL 1155Cb 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 36.38 34.42 1xxm s VAL 1155CO 0.00 0.55 1.79 -0.11 0.00 0.00 0.00 175.10 177.33 1xxm n LEU 1156N 3.74 3.74 -0.03 3.92 7.94 0.44 -2.14 117.00 134.59 1xxm n LEU 1156Ca -0.19 1.01 0.03 0.00 -1.11 0.00 0.00 56.01 55.74 1xxm n LEU 1156Cb 0.52 -1.49 -0.13 0.00 0.53 0.00 0.00 43.42 42.85 1xxm n LEU 1156CO 0.28 0.04 -0.83 0.00 -1.11 0.00 0.00 177.39 175.77 1xxm n GLN 1157N 5.32 0.82 -3.68 1.96 1.13 0.58 -1.36 117.38 122.15 1xxm n GLN 1157Ca 0.19 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1xxm n GLN 1157Cb 0.34 -1.42 -0.00 0.00 0.11 0.00 0.00 30.24 29.27 1xxm n GLN 1157CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1xxm s GLY 1158N -4.39 -0.34 0.04 1.08 0.00 -1.16 -4.95 107.32 97.61 1xxm s GLY 1158Ca -0.07 0.50 -0.18 0.00 0.00 0.00 0.00 44.72 44.97 1xxm s GLY 1158CO 0.71 0.51 0.40 -1.59 0.00 0.00 0.00 173.10 173.13 1xxm s LYS 1159N -2.57 0.91 -0.11 2.90 -2.85 -1.26 -2.19 119.74 114.57 1xxm s LYS 1159Ca 0.15 -0.38 -0.21 0.00 -1.00 0.00 0.00 55.97 54.54 1xxm s LYS 1159Cb 0.03 0.41 0.05 0.00 -2.06 0.00 0.00 37.83 36.26 1xxm s LYS 1159CO -0.02 -0.31 0.51 0.50 0.10 0.00 0.00 175.35 176.13 1xxm s ARG 1160N -2.49 0.74 0.09 1.78 3.52 -0.43 -4.99 118.95 117.18 1xxm s ARG 1160Ca -0.05 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 1xxm s ARG 1160Cb -0.01 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.69 1xxm s ARG 1160CO -0.03 -0.17 -0.08 1.14 -0.81 0.00 0.00 175.30 175.36 1xxm s GLN 1161N -0.52 0.81 -0.07 5.12 1.03 -1.26 0.03 119.66 124.80 1xxm s GLN 1161Ca -0.06 -1.22 -0.01 0.00 0.04 0.00 0.00 55.36 54.11 1xxm s GLN 1161Cb -0.03 -0.33 0.03 0.00 0.03 0.00 0.00 33.01 32.71 1xxm s GLN 1161CO 0.04 0.02 -0.02 -1.58 -2.54 0.00 0.00 175.29 171.21 1xxm s TRP 1162N -3.02 0.75 -1.62 9.60 0.51 -0.18 -4.89 118.94 120.09 1xxm s TRP 1162Ca 0.08 -0.22 -0.02 0.00 -2.12 0.00 0.00 56.10 53.82 1xxm s TRP 1162Cb 0.01 -0.78 0.00 0.00 -0.81 0.00 0.00 33.47 31.89 1xxm s TRP 1162CO -0.02 -0.30 0.20 -0.25 -0.51 0.00 0.00 176.95 176.07 1xxm n ASP 1163N 4.78 -5.69 -4.81 2.95 8.00 -1.26 -1.66 116.55 118.86 1xxm n ASP 1163Ca -0.13 -0.09 -0.35 0.00 0.71 0.00 0.00 54.79 54.93 1xxm n ASP 1163Cb 0.50 -4.70 -0.06 0.00 -0.02 0.00 0.00 41.12 36.84 1xxm n ASP 1163CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xxm s LEU 1164N -6.21 4.19 0.00 0.64 1.43 -1.26 -4.10 118.68 113.37 1xxm s LEU 1164Ca 0.11 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1xxm s LEU 1164Cb -0.05 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 42.10 1xxm s LEU 1164CO 0.13 -0.15 0.53 1.33 0.23 0.00 0.00 176.35 178.42