#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nye s HIS 1003N 0.00 1.92 0.06 -1.40 0.09 -1.26 -5.14 115.29 109.56 1nye s HIS 1003Ca 0.00 -0.60 0.10 0.00 -0.00 0.00 0.00 55.06 54.56 1nye s HIS 1003Cb 0.00 -1.29 -0.03 0.00 -0.00 0.00 0.00 32.58 31.26 1nye s HIS 1003CO 0.00 -0.21 -0.26 -1.01 -0.00 0.00 0.00 174.74 173.26 1nye s HIS 1004N 0.09 2.33 -0.14 1.40 3.76 -1.26 -5.12 115.29 116.35 1nye s HIS 1004Ca -0.06 -0.40 -0.03 0.00 -0.15 0.00 0.00 55.06 54.41 1nye s HIS 1004Cb -0.13 -1.37 0.05 0.00 1.11 0.00 0.00 32.58 32.24 1nye s HIS 1004CO 0.03 0.17 0.05 -1.58 -0.85 0.00 0.00 174.74 172.56 1nye s HIS 1005N -0.85 0.48 -0.18 1.40 2.46 -1.26 -5.13 115.29 112.21 1nye s HIS 1005Ca 0.12 -0.34 -0.03 0.00 0.47 0.00 0.00 55.06 55.28 1nye s HIS 1005Cb -0.10 -0.77 -0.02 0.00 -0.13 0.00 0.00 32.58 31.56 1nye s HIS 1005CO 0.03 -0.45 -0.04 -0.51 -2.47 0.00 0.00 174.74 171.29 1nye s ASP 1006N 2.04 4.55 0.68 9.88 1.01 -1.26 -5.11 116.67 128.46 1nye s ASP 1006Ca 0.02 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.04 1nye s ASP 1006Cb -0.15 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.03 1nye s ASP 1006CO -0.07 0.09 0.00 0.00 0.21 0.00 0.00 175.17 175.40 1nye n TYR 1007N 4.03 -2.28 -4.26 4.23 4.11 -1.26 -5.07 117.16 116.65 1nye n TYR 1007Ca -0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.58 1nye n TYR 1007Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.76 1nye n TYR 1007CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 1nye s ASP 1008N -1.43 1.40 0.00 9.48 -4.77 -1.26 -4.97 116.67 115.12 1nye s ASP 1008Ca 0.00 -1.17 0.00 0.00 -3.30 0.00 0.00 52.55 48.08 1nye s ASP 1008Cb 0.00 0.08 0.00 0.00 -1.09 0.00 0.00 42.92 41.91 1nye s ASP 1008CO 0.00 -0.53 0.00 0.00 0.70 0.00 0.00 175.17 175.34 1nye n ILE 1009N -0.28 0.00 -0.45 2.11 0.13 -1.26 -5.18 119.36 114.43 1nye n ILE 1009Ca -0.06 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.34 1nye n ILE 1009Cb 0.63 0.00 0.21 0.00 -0.84 0.00 0.00 39.64 39.64 1nye n ILE 1009CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 1nye n PRO 1010N 0.00 -2.99 -2.28 9.51 -0.02 -1.26 -5.06 135.00 132.90 1nye n PRO 1010Ca 0.00 -0.88 -0.03 0.00 -2.02 0.00 0.00 63.50 60.57 1nye n PRO 1010Cb 0.00 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1nye n PRO 1010CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1nye n THR 1011N -4.91 0.00 -0.68 3.45 -2.24 -1.26 -5.16 114.28 103.49 1nye n THR 1011Ca 0.07 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.53 1nye n THR 1011Cb 0.49 0.08 0.04 0.00 -2.10 0.00 0.00 70.33 68.84 1nye n THR 1011CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nye n THR 1012N -0.12 0.00 0.00 4.28 -2.24 -1.26 -4.96 114.28 109.98 1nye n THR 1012Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1nye n THR 1012Cb 0.07 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1nye n THR 1012CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1nye n GLU 1013N 0.85 0.00 -2.67 -0.78 4.07 -1.26 -5.10 120.64 115.76 1nye n GLU 1013Ca 0.02 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.10 1nye n GLU 1013Cb 0.10 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.46 1nye n GLU 1013CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1nye n ASN 1014N 0.00 -5.30 -4.76 4.31 4.13 -1.26 -4.91 115.26 107.46 1nye n ASN 1014Ca 0.00 1.41 -0.41 0.00 1.68 0.00 0.00 54.58 57.26 1nye n ASN 1014Cb 0.00 -5.32 0.00 0.00 -1.54 0.00 0.00 39.78 32.93 1nye n ASN 1014CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1nye n LEU 1015N 1.05 4.67 -4.16 3.41 4.77 -1.26 -4.91 117.00 120.57 1nye n LEU 1015Ca -0.15 1.21 -0.43 0.00 -0.03 0.00 0.00 56.01 56.61 1nye n LEU 1015Cb 0.23 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1nye n LEU 1015CO 0.43 0.01 2.24 0.00 -1.33 0.00 0.00 177.39 178.75 1nye n TYR 1016N 0.30 4.09 0.09 -1.77 9.36 -1.26 -4.74 117.16 123.23 1nye n TYR 1016Ca 0.02 -2.93 -0.06 0.00 3.32 0.00 0.00 57.90 58.25 1nye n TYR 1016Cb 0.39 -2.53 -0.02 0.00 -0.63 0.00 0.00 39.34 36.55 1nye n TYR 1016CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1nye h PHE 1017N 6.75 0.08 -0.85 2.98 0.04 -2.02 -3.30 116.94 120.61 1nye h PHE 1017Ca 0.49 -0.05 0.19 0.00 2.80 0.00 0.00 57.97 61.40 1nye h PHE 1017Cb 0.76 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.84 1nye h PHE 1017CO 1.41 0.90 0.57 1.96 -0.60 0.00 0.00 178.31 182.55 1nye h GLN 1018N 0.03 0.35 0.00 1.51 7.50 -1.97 -0.17 115.11 122.36 1nye h GLN 1018Ca -0.02 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1nye h GLN 1018Cb 1.53 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.98 1nye h GLN 1018CO 0.12 0.23 0.17 0.78 -1.50 0.00 0.00 178.83 178.63 1nye h GLY 1019N 0.37 0.00 -0.91 3.46 0.00 -1.98 0.16 103.07 104.16 1nye h GLY 1019Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1nye h GLY 1019CO -0.14 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.82 1nye n HIS 1020N -2.35 0.18 -2.98 5.60 8.25 -0.08 -5.01 115.22 118.84 1nye n HIS 1020Ca -0.01 -0.23 -0.39 0.00 -0.26 0.00 0.00 57.72 56.83 1nye n HIS 1020Cb 0.20 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 1nye n HIS 1020CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1nye s MET 1021N -0.89 4.55 -0.25 -0.41 0.00 0.56 -5.05 119.30 117.81 1nye s MET 1021Ca 0.15 1.15 -0.04 0.00 0.00 0.00 0.00 55.69 56.95 1nye s MET 1021Cb 0.09 -3.21 0.01 0.00 0.00 0.00 0.00 34.83 31.72 1nye s MET 1021CO 0.13 0.54 -0.01 -0.08 0.00 0.00 0.00 175.02 175.60 1nye s THR 1022N -1.20 3.45 0.06 10.11 -1.32 -1.26 -5.05 115.64 120.42 1nye s THR 1022Ca 0.37 -0.69 -0.30 0.00 -1.21 0.00 0.00 61.69 59.86 1nye s THR 1022Cb -0.22 -2.69 -0.05 0.00 -1.51 0.00 0.00 72.50 68.03 1nye s THR 1022CO 0.26 0.25 1.03 -0.63 -2.21 0.00 0.00 174.62 173.32 1nye s ILE 1023N 1.45 4.51 -0.11 5.08 1.01 -1.26 -5.04 121.20 126.83 1nye s ILE 1023Ca 0.03 1.89 0.02 0.00 0.00 0.00 0.00 60.65 62.60 1nye s ILE 1023Cb -0.16 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 1nye s ILE 1023CO -0.02 0.20 -0.19 -1.00 0.00 0.00 0.00 174.94 173.94 1nye s HIS 1024N 0.66 2.68 -0.09 3.97 3.76 -1.26 -5.11 115.29 119.89 1nye s HIS 1024Ca 0.52 -0.82 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1nye s HIS 1024Cb -0.24 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 31.69 1nye s HIS 1024CO 0.29 -0.30 -0.15 0.15 -0.85 0.00 0.00 174.74 173.88 1nye s LYS 1025N 0.30 2.15 0.17 1.40 3.01 -1.26 -5.14 119.74 120.37 1nye s LYS 1025Ca -0.14 -0.55 0.07 0.00 -1.01 0.00 0.00 55.97 54.34 1nye s LYS 1025Cb -0.17 -1.79 -0.04 0.00 -1.01 0.00 0.00 37.83 34.83 1nye s LYS 1025CO 0.07 -0.01 0.03 0.15 0.51 0.00 0.00 175.35 176.10 1nye s LYS 1026N 0.83 2.52 0.20 1.68 1.02 -1.26 -5.08 119.74 119.65 1nye s LYS 1026Ca -0.10 -1.05 -0.00 0.00 0.02 0.00 0.00 55.97 54.84 1nye s LYS 1026Cb -0.15 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1nye s LYS 1026CO 0.01 0.46 0.11 0.20 -0.92 0.00 0.00 175.35 175.22 1nye s GLY 1027N -2.95 1.44 0.08 -3.33 0.00 -1.26 -2.32 107.32 98.97 1nye s GLY 1027Ca 0.28 -1.70 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 1nye s GLY 1027CO 0.20 -1.44 0.47 1.62 0.00 0.00 0.00 173.10 173.94 1nye s GLN 1028N -4.11 1.04 0.07 2.90 0.74 0.16 -4.92 119.66 115.53 1nye s GLN 1028Ca 0.36 -0.42 -0.21 0.00 0.05 0.00 0.00 55.36 55.14 1nye s GLN 1028Cb 0.07 0.47 0.05 0.00 1.10 0.00 0.00 33.01 34.70 1nye s GLN 1028CO 0.11 -0.39 0.51 0.00 -0.55 0.00 0.00 175.29 174.97 1nye s ALA 1029N -2.94 -1.28 0.03 1.58 0.00 -1.26 0.93 121.76 118.82 1nye s ALA 1029Ca -0.02 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1nye s ALA 1029Cb -0.00 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1nye s ALA 1029CO -0.06 -0.54 -0.07 -1.58 0.00 0.00 0.00 175.76 173.51 1nye s HIS 1030N -2.73 0.56 -0.02 0.00 2.46 0.24 -4.99 115.29 110.80 1nye s HIS 1030Ca -0.04 -0.46 -0.09 0.00 0.47 0.00 0.00 55.06 54.94 1nye s HIS 1030Cb -0.00 -0.35 0.01 0.00 -0.13 0.00 0.00 32.58 32.11 1nye s HIS 1030CO -0.04 -0.10 0.20 -0.46 -2.47 0.00 0.00 174.74 171.87 1nye s TRP 1031N -1.26 -0.07 -0.03 3.88 -0.11 -1.26 -1.70 118.94 118.38 1nye s TRP 1031Ca -0.10 0.11 0.03 0.00 1.22 0.00 0.00 56.10 57.35 1nye s TRP 1031Cb -0.09 0.01 0.00 0.00 -1.50 0.00 0.00 33.47 31.90 1nye s TRP 1031CO 0.00 -0.28 -0.10 -1.21 -4.62 0.00 0.00 176.95 170.74 1nye s GLU 1032N -1.08 1.12 2.76 5.86 2.02 -0.09 -5.00 118.70 124.30 1nye s GLU 1032Ca -0.12 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1nye s GLU 1032Cb -0.06 -1.02 0.00 0.00 0.10 0.00 0.00 34.13 33.15 1nye s GLU 1032CO 0.02 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1nye n GLY 1033N 3.38 0.93 3.17 -1.39 0.00 -1.26 -2.76 105.19 107.26 1nye n GLY 1033Ca -0.19 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 1nye n GLY 1033CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nye n ASP 1034N -3.20 -3.37 0.04 1.61 -0.08 -1.26 -4.65 116.55 105.63 1nye n ASP 1034Ca 0.00 0.09 -0.02 0.00 -1.51 0.00 0.00 54.79 53.35 1nye n ASP 1034Cb 0.00 -0.86 -0.01 0.00 2.34 0.00 0.00 41.12 42.59 1nye n ASP 1034CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nye h ILE 1035N -1.42 0.00 0.00 5.18 5.03 -1.92 -1.25 117.51 123.13 1nye h ILE 1035Ca -0.45 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.10 1nye h ILE 1035Cb 1.34 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 1nye h ILE 1035CO 0.29 0.00 0.00 1.17 -0.68 0.00 0.00 178.15 178.93 1nye n LYS 1036N -2.84 0.02 -0.11 2.37 0.00 -1.26 -3.80 118.16 112.54 1nye n LYS 1036Ca -0.01 0.10 -0.14 0.00 0.00 0.00 0.00 58.31 58.25 1nye n LYS 1036Cb 0.05 -1.53 -0.11 0.00 0.00 0.00 0.00 35.03 33.45 1nye n LYS 1036CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1nye n ARG 1037N -1.56 0.63 -1.29 1.64 3.00 -1.26 -4.96 116.66 112.87 1nye n ARG 1037Ca 0.06 0.11 -0.30 0.00 -0.00 0.00 0.00 57.85 57.72 1nye n ARG 1037Cb 0.29 -1.44 0.22 0.00 0.00 0.00 0.00 32.46 31.53 1nye n ARG 1037CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nye s GLY 1038N -5.99 1.63 0.38 5.14 0.00 -0.47 -4.91 107.32 103.10 1nye s GLY 1038Ca -0.27 -1.00 0.08 0.00 0.00 0.00 0.00 44.72 43.53 1nye s GLY 1038CO 0.53 -0.15 0.03 0.54 0.00 0.00 0.00 173.10 174.05 1nye s LYS 1039N -5.52 2.04 0.04 2.90 -0.14 -1.11 -4.81 119.74 113.15 1nye s LYS 1039Ca 0.71 -1.89 -0.21 0.00 -1.36 0.00 0.00 55.97 53.22 1nye s LYS 1039Cb -0.08 -1.83 0.05 0.00 -1.68 0.00 0.00 37.83 34.28 1nye s LYS 1039CO 0.55 0.03 0.49 0.20 -0.76 0.00 0.00 175.35 175.86 1nye s GLY 1040N -3.74 -0.38 -0.06 -3.33 0.00 -1.12 -0.91 107.32 97.79 1nye s GLY 1040Ca 0.36 0.51 -0.09 0.00 0.00 0.00 0.00 44.72 45.50 1nye s GLY 1040CO 0.19 0.23 0.23 -0.51 0.00 0.00 0.00 173.10 173.23 1nye s THR 1041N -2.44 0.03 0.02 0.90 -4.23 -0.69 -0.88 115.64 108.35 1nye s THR 1041Ca -0.05 -0.24 0.07 0.00 -1.18 0.00 0.00 61.69 60.29 1nye s THR 1041Cb -0.01 -0.41 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 1nye s THR 1041CO -0.02 -0.13 -0.21 0.68 -0.54 0.00 0.00 174.62 174.40 1nye s VAL 1042N -0.47 2.57 0.09 2.29 -7.23 -0.05 -0.60 120.40 117.02 1nye s VAL 1042Ca -0.06 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1nye s VAL 1042Cb -0.04 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1nye s VAL 1042CO 0.01 0.41 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.67 1nye s SER 1043N -1.18 1.46 0.18 4.85 0.01 0.27 -2.71 113.70 116.58 1nye s SER 1043Ca 0.13 -0.79 0.10 0.00 1.31 0.00 0.00 55.95 56.70 1nye s SER 1043Cb -0.10 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 1nye s SER 1043CO 0.03 -0.24 -0.16 -0.89 0.41 0.00 0.00 173.24 172.38 1nye s THR 1044N -2.30 2.80 0.12 1.44 2.01 0.86 0.40 115.64 120.97 1nye s THR 1044Ca 0.04 -1.83 0.14 0.00 0.31 0.00 0.00 61.69 60.36 1nye s THR 1044Cb -0.04 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.14 1nye s THR 1044CO 0.00 -0.11 1.58 1.05 -0.69 0.00 0.00 174.62 176.45 1nye h GLU 1045N 3.06 0.00 0.00 4.92 4.11 -1.75 -3.01 114.58 121.91 1nye h GLU 1045Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.90 1nye h GLU 1045Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1nye h GLU 1045CO 0.51 0.55 -0.31 0.66 0.07 0.00 0.00 179.01 180.49 1nye h SER 1046N 0.00 0.00 0.00 3.06 4.64 -1.91 -3.46 113.55 115.87 1nye h SER 1046Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1nye h SER 1046Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1nye h SER 1046CO 0.07 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 1nye n GLY 1047N -0.63 2.43 0.56 -0.77 0.00 -1.14 -4.93 105.19 100.71 1nye n GLY 1047Ca -0.02 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.35 1nye n GLY 1047CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nye h VAL 1048N 0.00 0.14 -3.53 1.61 2.07 -1.90 -2.94 116.25 111.70 1nye h VAL 1048Ca 0.00 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.93 1nye h VAL 1048Cb 0.00 0.19 -0.38 0.00 -1.52 0.00 0.00 31.29 29.57 1nye h VAL 1048CO 0.00 0.00 -0.78 -0.76 0.02 0.00 0.00 177.57 176.05 1nye s LEU 1049N -7.38 2.18 -0.17 2.57 1.43 -1.26 -5.00 118.68 111.04 1nye s LEU 1049Ca -0.04 -1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 51.87 1nye s LEU 1049Cb 0.20 -1.03 -0.09 0.00 0.03 0.00 0.00 46.19 45.29 1nye s LEU 1049CO 0.67 -0.24 -0.05 -3.20 0.23 0.00 0.00 176.35 173.75 1nye n ASN 1050N 4.77 1.84 -1.86 2.29 2.85 -1.11 -0.09 115.26 123.94 1nye n ASN 1050Ca -0.11 0.54 -0.03 0.00 -0.11 0.00 0.00 54.58 54.86 1nye n ASN 1050Cb 0.45 -0.90 0.03 0.00 1.24 0.00 0.00 39.78 40.60 1nye n ASN 1050CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nye n GLN 1051N -4.53 0.68 -1.68 1.20 6.02 -1.24 -4.37 117.38 113.46 1nye n GLN 1051Ca -0.18 -1.50 -0.56 0.00 -0.01 0.00 0.00 57.00 54.75 1nye n GLN 1051Cb 0.45 0.17 -0.07 0.00 1.02 0.00 0.00 30.24 31.80 1nye n GLN 1051CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nye n GLN 1052N -0.55 1.27 -1.18 -1.09 1.13 -1.10 -4.45 117.38 111.42 1nye n GLN 1052Ca -0.16 0.46 -0.29 0.00 -1.94 0.00 0.00 57.00 55.07 1nye n GLN 1052Cb 0.83 -2.20 0.16 0.00 0.11 0.00 0.00 30.24 29.14 1nye n GLN 1052CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nye s PRO 1053N 3.92 0.87 -0.10 -1.09 0.04 -1.26 -0.87 135.00 136.52 1nye s PRO 1053Ca 0.99 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1nye s PRO 1053Cb -1.01 -1.77 0.11 0.00 0.04 0.00 0.00 34.50 31.87 1nye s PRO 1053CO 0.63 -2.47 0.90 1.52 0.04 0.00 0.00 177.00 177.61 1nye s TYR 1054N -2.94 -0.44 0.00 0.56 1.13 -0.06 -4.05 117.35 111.55 1nye s TYR 1054Ca 0.64 0.67 0.00 0.00 -1.41 0.00 0.00 57.07 56.98 1nye s TYR 1054Cb -0.18 0.46 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 1nye s TYR 1054CO 0.57 -0.45 0.00 0.41 -2.51 0.00 0.00 175.55 173.58 1nye n GLY 1055N 0.59 2.47 0.21 5.49 0.00 -1.26 -2.77 105.19 109.92 1nye n GLY 1055Ca -0.12 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.83 1nye n GLY 1055CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nye h PHE 1056N 0.98 0.00 -0.19 1.61 3.04 -1.87 -1.56 116.94 118.94 1nye h PHE 1056Ca 0.00 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1nye h PHE 1056Cb 0.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 1nye h PHE 1056CO 0.00 0.28 -0.19 -2.95 -2.02 0.00 0.00 178.31 173.43 1nye h ASN 1057N 0.00 0.49 -0.16 0.41 -0.00 -1.93 -3.09 115.58 111.30 1nye h ASN 1057Ca -0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 1nye h ASN 1057Cb 0.76 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.94 1nye h ASN 1057CO 0.04 0.87 0.00 0.35 -0.00 0.00 0.00 177.43 178.68 1nye n THR 1058N -4.47 0.21 -1.85 6.14 -2.24 -1.11 -4.83 114.28 106.12 1nye n THR 1058Ca -0.05 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.22 1nye n THR 1058Cb 0.39 0.24 0.06 0.00 -2.10 0.00 0.00 70.33 68.93 1nye n THR 1058CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1nye n ARG 1059N 0.16 3.13 -1.72 -0.78 3.00 -0.61 -4.52 116.66 115.33 1nye n ARG 1059Ca 0.15 -3.89 -0.42 0.00 -0.00 0.00 0.00 57.85 53.68 1nye n ARG 1059Cb 0.28 -2.17 -0.03 0.00 0.00 0.00 0.00 32.46 30.54 1nye n ARG 1059CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1nye s LYS 1064N -3.56 4.14 0.00 -0.14 2.20 -1.26 -5.05 119.74 116.07 1nye s LYS 1064Ca 0.51 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.70 1nye s LYS 1064Cb 0.42 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1nye s LYS 1064CO 0.02 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 1nye n GLY 1065N 4.30 1.35 3.78 5.54 0.00 -1.26 -5.14 105.19 113.76 1nye n GLY 1065Ca 0.18 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1nye n GLY 1065CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nye s THR 1066N -1.99 3.37 0.11 2.61 2.01 -1.26 -4.95 115.64 115.55 1nye s THR 1066Ca 0.00 0.79 -0.25 0.00 0.31 0.00 0.00 61.69 62.53 1nye s THR 1066Cb 0.00 -3.29 0.08 0.00 0.01 0.00 0.00 72.50 69.29 1nye s THR 1066CO 0.00 -0.25 0.79 0.54 -0.69 0.00 0.00 174.62 175.01 1nye s ASN 1067N -2.08 -0.39 0.12 3.53 4.22 -1.26 -4.30 114.94 114.77 1nye s ASN 1067Ca 0.70 -0.13 -0.21 0.00 -2.14 0.00 0.00 52.86 51.08 1nye s ASN 1067Cb -0.21 0.51 -0.06 0.00 1.28 0.00 0.00 41.25 42.77 1nye s ASN 1067CO 0.29 -0.86 1.72 -0.65 -2.04 0.00 0.00 177.10 175.57 1nye h PRO 1068N 2.00 0.03 -0.58 3.55 0.11 -1.97 -2.76 132.00 132.37 1nye h PRO 1068Ca -0.26 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.95 1nye h PRO 1068Cb 1.26 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 1nye h PRO 1068CO 0.31 0.02 0.17 0.93 -0.21 0.00 0.00 178.00 179.22 1nye h GLU 1069N 0.03 0.31 -0.25 1.05 3.07 -1.98 -0.98 114.58 115.83 1nye h GLU 1069Ca 0.07 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1nye h GLU 1069Cb 0.09 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1nye h GLU 1069CO -0.13 0.20 0.04 1.49 -1.40 0.00 0.00 179.01 179.21 1nye h GLU 1070N 0.32 0.13 -0.39 2.33 4.81 -1.93 0.34 114.58 120.18 1nye h GLU 1070Ca 0.30 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1nye h GLU 1070Cb 0.40 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1nye h GLU 1070CO -0.34 0.08 0.02 -0.07 -0.73 0.00 0.00 179.01 177.97 1nye h LEU 1071N 0.13 0.58 -0.30 1.64 4.07 -1.11 -1.25 115.31 119.06 1nye h LEU 1071Ca 0.11 -0.11 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 1nye h LEU 1071Cb 0.12 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1nye h LEU 1071CO -0.16 0.64 -0.23 0.40 -1.08 0.00 0.00 178.44 178.01 1nye h ILE 1072N 0.59 1.30 -0.20 1.22 2.04 -0.38 -1.16 117.51 120.91 1nye h ILE 1072Ca 0.13 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.63 1nye h ILE 1072Cb 0.35 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1nye h ILE 1072CO 0.01 0.44 0.03 1.23 0.00 0.00 0.00 178.15 179.86 1nye h GLY 1073N 0.44 0.22 0.59 5.37 0.00 0.07 0.47 103.07 110.23 1nye h GLY 1073Ca 0.06 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1nye h GLY 1073CO 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 176.54 176.56 1nye h ALA 1074N 1.16 0.18 -0.17 3.60 0.00 -1.12 -1.18 119.26 121.73 1nye h ALA 1074Ca 0.09 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1nye h ALA 1074Cb 0.10 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1nye h ALA 1074CO -0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 179.25 178.65 1nye h ALA 1075N 1.21 0.13 -0.32 0.00 0.00 -0.69 -0.26 119.26 119.34 1nye h ALA 1075Ca 0.11 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1nye h ALA 1075Cb 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1nye h ALA 1075CO -0.21 -0.46 -0.04 1.25 0.00 0.00 0.00 179.25 179.79 1nye h HIS 1076N 0.03 -0.10 0.17 0.00 6.17 -0.54 0.27 115.15 121.16 1nye h HIS 1076Ca 0.08 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.18 1nye h HIS 1076Cb 0.11 0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1nye h HIS 1076CO -0.18 -0.10 -0.08 0.00 0.71 0.00 0.00 177.93 178.28 1nye h ALA 1077N 1.30 -0.23 -0.73 5.26 0.00 -0.94 0.22 119.26 124.13 1nye h ALA 1077Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1nye h ALA 1077Cb 0.22 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1nye h ALA 1077CO -0.29 -0.59 0.45 0.00 0.00 0.00 0.00 179.25 178.82 1nye h ALA 1078N 0.48 0.97 -0.33 0.00 0.00 -0.73 0.54 119.26 120.19 1nye h ALA 1078Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1nye h ALA 1078Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nye h ALA 1078CO 0.04 0.20 0.12 0.00 0.00 0.00 0.00 179.25 179.61 1nye h PHE 1080N 0.39 1.14 -0.33 0.00 3.04 0.40 -1.66 116.94 119.92 1nye h PHE 1080Ca 0.11 -0.17 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 1nye h PHE 1080Cb 0.22 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 1nye h PHE 1080CO 0.00 0.98 0.15 0.77 -2.02 0.00 0.00 178.31 178.19 1nye h SER 1081N 0.98 0.43 -0.47 0.41 0.02 0.16 -1.99 113.55 113.09 1nye h SER 1081Ca 0.19 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1nye h SER 1081Cb 0.47 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1nye h SER 1081CO 0.02 0.45 0.10 -0.03 -1.14 0.00 0.00 176.83 176.23 1nye h MET 1082N 0.39 0.76 -0.05 3.45 1.85 -1.29 -2.57 114.93 117.46 1nye h MET 1082Ca 0.11 -0.19 -0.04 0.00 -0.61 0.00 0.00 59.70 58.97 1nye h MET 1082Cb 0.14 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.06 1nye h MET 1082CO -0.01 0.75 -0.16 0.00 -0.40 0.00 0.00 176.91 177.09 1nye h ALA 1083N 0.97 1.64 -0.13 0.39 0.00 -1.22 -1.14 119.26 119.77 1nye h ALA 1083Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1nye h ALA 1083Cb 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nye h ALA 1083CO 0.00 0.27 -0.01 1.25 0.00 0.00 0.00 179.25 180.76 1nye h LEU 1084N 0.07 0.25 -0.39 0.00 5.85 -1.02 -0.59 115.31 119.48 1nye h LEU 1084Ca 0.01 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1nye h LEU 1084Cb 0.34 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1nye h LEU 1084CO 0.02 0.52 0.20 -1.28 -0.34 0.00 0.00 178.44 177.57 1nye h SER 1085N -0.04 0.31 0.23 1.25 0.87 -1.07 -0.05 113.55 115.05 1nye h SER 1085Ca 0.04 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1nye h SER 1085Cb 0.41 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 1nye h SER 1085CO 0.01 0.22 -0.44 0.25 -0.53 0.00 0.00 176.83 176.34 1nye h LEU 1086N 0.42 -1.27 -0.43 2.23 7.12 -1.06 -0.45 115.31 121.86 1nye h LEU 1086Ca 0.16 0.13 0.06 0.00 0.13 0.00 0.00 57.88 58.36 1nye h LEU 1086Cb 0.06 0.46 -0.05 0.00 -0.53 0.00 0.00 40.66 40.59 1nye h LEU 1086CO -0.11 -0.53 0.12 0.24 -0.13 0.00 0.00 178.44 178.03 1nye h MET 1087N -0.75 0.27 -0.81 1.25 2.86 -0.79 -0.87 114.93 116.09 1nye h MET 1087Ca -0.00 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1nye h MET 1087Cb 0.73 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.26 1nye h MET 1087CO -0.19 0.18 0.48 -0.07 1.06 0.00 0.00 176.91 178.36 1nye h LEU 1088N 0.27 0.71 -0.22 1.22 3.38 -0.74 -2.08 115.31 117.85 1nye h LEU 1088Ca 0.21 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1nye h LEU 1088Cb 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1nye h LEU 1088CO -0.24 0.43 -0.04 1.23 0.09 0.00 0.00 178.44 179.91 1nye h GLY 1089N 0.83 0.17 2.00 0.83 0.00 0.30 -0.20 103.07 107.01 1nye h GLY 1089Ca 0.38 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1nye h GLY 1089CO -0.21 -0.07 0.00 1.18 0.00 0.00 0.00 176.54 177.43 1nye n GLU 1090N -5.19 0.01 -0.12 4.80 1.02 -0.78 -0.67 120.64 119.70 1nye n GLU 1090Ca -0.02 0.47 0.08 0.00 -0.02 0.00 0.00 57.16 57.67 1nye n GLU 1090Cb 0.13 -1.52 0.14 0.00 -0.02 0.00 0.00 31.44 30.17 1nye n GLU 1090CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nye n ALA 1091N -1.51 2.36 -0.39 0.62 0.00 -0.21 -4.97 120.51 116.41 1nye n ALA 1091Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1nye n ALA 1091Cb 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1nye n ALA 1091CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 1092N 0.91 0.72 3.73 0.00 0.00 0.16 -5.07 105.19 105.64 1nye n GLY 1092Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1nye n GLY 1092CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nye s PHE 1093N -2.59 2.83 -0.12 1.61 0.08 -0.49 -4.98 117.98 114.32 1nye s PHE 1093Ca 0.00 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 56.78 1nye s PHE 1093Cb 0.00 -1.41 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1nye s PHE 1093CO 0.00 0.49 0.06 0.99 -0.10 0.00 0.00 175.22 176.66 1nye s THR 1094N -2.30 0.02 0.30 0.64 2.01 -1.26 -2.41 115.64 112.64 1nye s THR 1094Ca 0.34 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 1nye s THR 1094Cb -0.06 -0.47 -0.10 0.00 0.01 0.00 0.00 72.50 71.88 1nye s THR 1094CO 0.23 -0.06 1.35 -2.16 -0.69 0.00 0.00 174.62 173.29 1nye s PRO 1095N 2.10 4.33 0.15 4.92 0.04 -1.26 -4.58 135.00 140.70 1nye s PRO 1095Ca 0.03 2.24 0.15 0.00 0.04 0.00 0.00 61.00 63.46 1nye s PRO 1095Cb -0.14 -3.08 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 1nye s PRO 1095CO -0.06 -0.26 1.10 1.79 0.04 0.00 0.00 177.00 179.60 1nye h THR 1096N 3.21 0.73 -1.80 1.26 1.35 -1.66 -3.47 112.91 112.52 1nye h THR 1096Ca -0.48 -2.19 0.01 0.00 -0.55 0.00 0.00 66.41 63.20 1nye h THR 1096Cb 1.22 2.25 -0.23 0.00 -1.73 0.00 0.00 68.15 69.66 1nye h THR 1096CO 0.69 0.42 0.31 -0.55 -0.25 0.00 0.00 175.52 176.14 1nye s SER 1097N -6.12 -0.58 -0.22 5.36 0.15 -1.20 -5.02 113.70 106.07 1nye s SER 1097Ca 0.00 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 57.66 1nye s SER 1097Cb 0.08 1.03 0.08 0.00 -1.71 0.00 0.00 66.02 65.51 1nye s SER 1097CO 0.79 -0.25 0.14 -0.63 1.20 0.00 0.00 173.24 174.48 1nye s ILE 1098N 0.03 -0.15 -0.30 6.45 1.01 -1.26 -1.14 121.20 125.84 1nye s ILE 1098Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1nye s ILE 1098Cb -0.04 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.73 1nye s ILE 1098CO -0.01 -0.40 0.05 -1.81 0.00 0.00 0.00 174.94 172.77 1nye s ASP 1099N 2.18 5.01 0.02 3.58 1.01 -0.60 -4.98 116.67 122.89 1nye s ASP 1099Ca 0.05 -1.00 0.07 0.00 0.71 0.00 0.00 52.55 52.38 1nye s ASP 1099Cb -0.16 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 1nye s ASP 1099CO -0.19 -0.24 -0.20 0.42 0.21 0.00 0.00 175.17 175.16 1nye s THR 1100N 1.39 1.63 0.04 -1.27 -4.23 -1.26 0.19 115.64 112.13 1nye s THR 1100Ca -0.01 -1.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.52 1nye s THR 1100Cb -0.18 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1nye s THR 1100CO 0.01 0.32 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.36 1nye s THR 1101N -0.65 2.98 -0.12 3.99 2.01 0.38 -4.95 115.64 119.28 1nye s THR 1101Ca 0.08 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1nye s THR 1101Cb -0.08 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1nye s THR 1101CO 0.01 0.34 -0.14 0.00 -0.69 0.00 0.00 174.62 174.14 1nye s ALA 1102N -0.95 1.67 -0.34 7.40 0.00 -1.26 -0.90 121.76 127.38 1nye s ALA 1102Ca 0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 1nye s ALA 1102Cb -0.11 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.14 1nye s ALA 1102CO 0.06 -0.22 0.12 0.34 0.00 0.00 0.00 175.76 176.06 1nye s ASP 1103N 1.25 5.36 -0.25 0.00 3.68 0.37 -4.85 116.67 122.23 1nye s ASP 1103Ca -0.01 -1.05 -0.14 0.00 2.13 0.00 0.00 52.55 53.48 1nye s ASP 1103Cb -0.14 -1.90 -0.04 0.00 -1.45 0.00 0.00 42.92 39.39 1nye s ASP 1103CO -0.05 -0.31 0.31 -0.69 0.13 0.00 0.00 175.17 174.55 1nye s VAL 1104N 1.44 5.24 -0.34 1.11 1.01 -1.26 0.20 120.40 127.79 1nye s VAL 1104Ca -0.00 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 1nye s VAL 1104Cb -0.19 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1nye s VAL 1104CO 0.03 0.23 0.22 -0.44 0.00 0.00 0.00 175.10 175.14 1nye s SER 1105N 1.44 5.91 -0.44 3.32 0.01 0.21 -5.00 113.70 119.15 1nye s SER 1105Ca 0.13 -0.56 -0.14 0.00 1.31 0.00 0.00 55.95 56.70 1nye s SER 1105Cb -0.15 -2.10 0.06 0.00 0.21 0.00 0.00 66.02 64.04 1nye s SER 1105CO 0.09 -0.27 0.33 -0.22 0.41 0.00 0.00 173.24 173.58 1nye s LEU 1106N 1.68 5.32 0.10 2.44 1.98 -1.26 -0.67 118.68 128.26 1nye s LEU 1106Ca 0.05 -1.21 0.03 0.00 -2.89 0.00 0.00 54.13 50.11 1nye s LEU 1106Cb -0.18 -2.13 -0.04 0.00 0.66 0.00 0.00 46.19 44.51 1nye s LEU 1106CO 0.09 -0.55 0.11 -1.81 -1.89 0.00 0.00 176.35 172.30 1nye s ASP 1107N 2.17 5.63 -0.88 3.68 -0.00 -0.33 -4.89 116.67 122.06 1nye s ASP 1107Ca 0.04 -0.00 -0.23 0.00 -0.00 0.00 0.00 52.55 52.35 1nye s ASP 1107Cb -0.22 -1.53 0.06 0.00 -0.00 0.00 0.00 42.92 41.22 1nye s ASP 1107CO 0.07 0.15 1.29 -1.59 -0.00 0.00 0.00 175.17 175.08 1nye s LYS 1108N -2.58 3.42 -0.26 8.23 0.00 -1.26 -1.08 119.74 126.20 1nye s LYS 1108Ca 0.30 -0.96 -0.08 0.00 0.00 0.00 0.00 55.97 55.24 1nye s LYS 1108Cb -0.12 -4.82 -0.03 0.00 0.00 0.00 0.00 37.83 32.86 1nye s LYS 1108CO 0.23 -2.07 0.09 0.08 0.00 0.00 0.00 175.35 173.68 1nye s VAL 1109N 4.68 4.41 0.00 1.79 1.01 0.24 -4.95 120.40 127.58 1nye s VAL 1109Ca 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1nye s VAL 1109Cb -0.05 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1nye s VAL 1109CO -0.01 0.30 0.00 0.47 0.00 0.00 0.00 175.10 175.86 1nye n ASP 1110N 4.94 0.00 -0.57 3.32 10.43 -1.26 -1.39 116.55 132.02 1nye n ASP 1110Ca -0.16 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.32 1nye n ASP 1110Cb 0.51 0.00 0.40 0.00 1.84 0.00 0.00 41.12 43.87 1nye n ASP 1110CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nye n ALA 1111N 11.59 2.53 -3.76 2.24 0.00 -1.26 -4.93 120.51 126.91 1nye n ALA 1111Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 1nye n ALA 1111Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 1nye n ALA 1111CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 1112N 1.16 3.53 3.65 0.00 0.00 -0.49 -5.17 105.19 107.87 1nye n GLY 1112Ca 0.17 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 1nye n GLY 1112CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nye s PHE 1113N -2.57 2.76 -0.26 1.61 0.08 -1.26 0.80 117.98 119.14 1nye s PHE 1113Ca 0.17 -0.19 -0.25 0.00 0.12 0.00 0.00 56.93 56.78 1nye s PHE 1113Cb 0.01 -1.27 0.07 0.00 -0.57 0.00 0.00 43.02 41.26 1nye s PHE 1113CO 0.12 0.57 0.72 0.00 -0.10 0.00 0.00 175.22 176.54 1nye s ALA 1114N -2.08 -1.78 -0.57 5.36 0.00 -0.25 -4.80 121.76 117.64 1nye s ALA 1114Ca 0.30 2.01 -0.27 0.00 0.00 0.00 0.00 51.96 53.99 1nye s ALA 1114Cb -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1nye s ALA 1114CO 0.19 -0.34 1.59 0.42 0.00 0.00 0.00 175.76 177.62 1nye s ILE 1115N 0.34 3.61 -0.48 0.00 1.01 -1.26 -1.18 121.20 123.24 1nye s ILE 1115Ca -0.00 0.47 0.23 0.00 0.00 0.00 0.00 60.65 61.35 1nye s ILE 1115Cb -0.05 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1nye s ILE 1115CO 0.01 -1.07 1.10 0.35 0.00 0.00 0.00 174.94 175.33 1nye n THR 1116N 6.98 0.36 -3.61 2.92 -2.24 0.16 -4.60 114.28 114.26 1nye n THR 1116Ca 0.15 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1nye n THR 1116Cb 0.50 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1nye n THR 1116CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nye s LYS 1117N -3.25 0.60 -0.15 -0.78 2.20 -1.21 -2.29 119.74 114.85 1nye s LYS 1117Ca 0.03 0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1nye s LYS 1117Cb 0.13 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1nye s LYS 1117CO 0.78 -0.12 -0.08 0.42 -0.36 0.00 0.00 175.35 175.98 1nye s ILE 1118N -0.30 1.27 -0.24 5.43 1.01 -0.06 0.65 121.20 128.95 1nye s ILE 1118Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 1nye s ILE 1118Cb -0.03 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1nye s ILE 1118CO -0.02 0.26 0.14 0.00 0.00 0.00 0.00 174.94 175.32 1nye s ALA 1119N 1.58 3.48 -0.21 9.38 0.00 0.13 -2.73 121.76 133.39 1nye s ALA 1119Ca 0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1nye s ALA 1119Cb -0.14 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1nye s ALA 1119CO -0.08 -0.29 0.20 -0.51 0.00 0.00 0.00 175.76 175.07 1nye s LEU 1120N 1.25 4.17 -0.14 0.00 1.43 0.20 -0.47 118.68 125.12 1nye s LEU 1120Ca 0.06 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1nye s LEU 1120Cb -0.14 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1nye s LEU 1120CO 0.06 0.09 -0.17 -0.75 0.23 0.00 0.00 176.35 175.81 1nye s LYS 1121N 0.75 2.56 0.04 1.70 2.20 -0.08 -0.49 119.74 126.42 1nye s LYS 1121Ca 0.11 -0.68 0.04 0.00 -0.36 0.00 0.00 55.97 55.07 1nye s LYS 1121Cb -0.13 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.99 1nye s LYS 1121CO 0.02 -0.11 -0.11 0.45 -0.36 0.00 0.00 175.35 175.24 1nye s SER 1122N 1.11 1.25 -0.26 1.43 0.15 0.11 0.14 113.70 117.63 1nye s SER 1122Ca -0.02 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.16 1nye s SER 1122Cb -0.14 -0.04 0.07 0.00 -1.71 0.00 0.00 66.02 64.20 1nye s SER 1122CO -0.05 -0.08 -0.06 -1.61 1.20 0.00 0.00 173.24 172.64 1nye s GLU 1123N -1.34 1.86 -0.00 5.44 2.02 0.13 -1.20 118.70 125.61 1nye s GLU 1123Ca -0.04 -1.27 0.03 0.00 0.02 0.00 0.00 54.97 53.72 1nye s GLU 1123Cb -0.09 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 1nye s GLU 1123CO 0.01 -0.64 -0.08 0.08 0.02 0.00 0.00 175.26 174.64 1nye s VAL 1124N 1.20 3.53 -0.14 2.63 1.01 0.01 -1.55 120.40 127.09 1nye s VAL 1124Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1nye s VAL 1124Cb -0.19 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1nye s VAL 1124CO -0.07 0.41 -0.13 0.00 0.00 0.00 0.00 175.10 175.32 1nye s ALA 1125N -0.96 1.74 -0.16 5.51 0.00 -0.29 -0.30 121.76 127.30 1nye s ALA 1125Ca 0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1nye s ALA 1125Cb -0.11 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.05 1nye s ALA 1125CO 0.06 -0.39 0.14 0.08 0.00 0.00 0.00 175.76 175.66 1nye s VAL 1126N 1.53 -0.19 0.00 0.00 1.01 -1.18 -1.49 120.40 120.08 1nye s VAL 1126Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1nye s VAL 1126Cb -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1nye s VAL 1126CO -0.10 -0.17 0.00 -2.65 0.00 0.00 0.00 175.10 172.18 1nye n PRO 1127N 5.30 0.00 -3.66 2.72 -0.02 -1.26 -3.98 135.00 134.10 1nye n PRO 1127Ca -0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.13 1nye n PRO 1127Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.85 1nye n PRO 1127CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nye s GLY 1128N 0.00 1.68 -0.03 -1.23 0.00 -1.26 -4.81 107.32 101.67 1nye s GLY 1128Ca 0.00 -2.66 0.04 0.00 0.00 0.00 0.00 44.72 42.11 1nye s GLY 1128CO 0.00 1.63 -0.16 -0.42 0.00 0.00 0.00 173.10 174.16 1nye s ILE 1129N 0.14 1.27 0.29 0.90 1.01 -1.26 -5.10 121.20 118.46 1nye s ILE 1129Ca 0.21 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 1nye s ILE 1129Cb -0.17 -1.08 -0.10 0.00 0.01 0.00 0.00 42.46 41.12 1nye s ILE 1129CO -0.05 0.37 1.16 1.51 0.00 0.00 0.00 174.94 177.93 1nye s ASP 1130N -0.09 7.13 0.46 3.58 -4.77 -1.26 -4.89 116.67 116.82 1nye s ASP 1130Ca 0.00 2.38 0.31 0.00 -3.30 0.00 0.00 52.55 51.94 1nye s ASP 1130Cb -0.09 -2.63 1.40 0.00 -1.09 0.00 0.00 42.92 40.51 1nye s ASP 1130CO 0.01 -0.26 1.69 0.00 0.70 0.00 0.00 175.17 177.31 1nye h ALA 1131N 3.78 2.81 0.40 2.11 0.00 -1.99 -2.84 119.26 123.53 1nye h ALA 1131Ca -0.47 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1nye h ALA 1131Cb 1.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1nye h ALA 1131CO 0.67 -1.32 -0.19 1.03 0.00 0.00 0.00 179.25 179.44 1nye h SER 1132N 0.14 -0.46 -0.19 0.00 0.87 -2.00 -2.49 113.55 109.42 1nye h SER 1132Ca 0.73 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 61.36 1nye h SER 1132Cb 2.38 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 64.45 1nye h SER 1132CO -0.26 -0.24 0.26 0.71 -0.53 0.00 0.00 176.83 176.76 1nye h THR 1133N -0.71 0.36 0.00 2.23 1.35 -1.90 0.45 112.91 114.68 1nye h THR 1133Ca -0.06 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.60 1nye h THR 1133Cb 0.41 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 1nye h THR 1133CO 0.09 0.00 -1.07 0.15 -0.25 0.00 0.00 175.52 174.44 1nye h PHE 1134N 0.00 0.00 -0.54 4.73 3.04 -1.55 -2.85 116.94 119.77 1nye h PHE 1134Ca 0.09 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 1nye h PHE 1134Cb 0.60 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 1nye h PHE 1134CO 0.00 0.92 -0.08 0.22 -2.02 0.00 0.00 178.31 177.35 1nye h ASP 1135N 0.00 0.98 -0.03 0.41 3.58 -0.45 -2.15 116.42 118.76 1nye h ASP 1135Ca -0.06 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.09 1nye h ASP 1135Cb 1.75 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.53 1nye h ASP 1135CO 0.11 1.08 -0.01 1.23 -2.88 0.00 0.00 179.24 178.77 1nye h GLY 1136N 0.96 0.02 0.45 -0.78 0.00 -1.39 -2.68 103.07 99.66 1nye h GLY 1136Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1nye h GLY 1136CO 0.04 -0.01 -0.44 -2.22 0.00 0.00 0.00 176.54 173.90 1nye h ILE 1137N -0.00 0.12 -0.54 2.60 1.08 -1.24 -2.44 117.51 117.09 1nye h ILE 1137Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1nye h ILE 1137Cb 0.02 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 33.87 1nye h ILE 1137CO -0.03 0.00 0.31 0.16 -0.69 0.00 0.00 178.15 177.89 1nye h ILE 1138N -0.82 1.16 0.21 -0.67 -0.00 -1.41 -0.46 117.51 115.52 1nye h ILE 1138Ca -0.02 -0.37 -0.01 0.00 -0.00 0.00 0.00 64.86 64.45 1nye h ILE 1138Cb 0.76 0.42 -0.00 0.00 -0.00 0.00 0.00 36.82 38.00 1nye h ILE 1138CO -0.13 0.17 -0.12 1.56 -0.00 0.00 0.00 178.15 179.63 1nye h GLN 1139N 0.74 -0.30 -0.28 0.16 1.08 -1.38 0.80 115.11 115.93 1nye h GLN 1139Ca 0.19 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.47 1nye h GLN 1139Cb -0.01 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.41 1nye h GLN 1139CO -0.03 -0.20 -0.41 0.87 -0.95 0.00 0.00 178.83 178.11 1nye h LYS 1140N -0.31 -0.37 -0.14 1.46 1.79 -0.88 0.15 116.57 118.27 1nye h LYS 1140Ca -0.03 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1nye h LYS 1140Cb 0.25 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1nye h LYS 1140CO 0.04 -0.25 0.10 0.00 -1.08 0.00 0.00 179.45 178.26 1nye h ALA 1141N 0.35 2.12 -0.66 3.86 0.00 -0.55 0.50 119.26 124.89 1nye h ALA 1141Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1nye h ALA 1141Cb 0.59 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1nye h ALA 1141CO -0.49 -0.16 0.13 -0.22 0.00 0.00 0.00 179.25 178.51 1nye h LYS 1142N 0.01 1.06 0.00 0.00 3.11 0.35 -3.07 116.57 118.03 1nye h LYS 1142Ca 0.07 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 1nye h LYS 1142Cb 0.26 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1nye h LYS 1142CO -0.00 0.96 -1.39 0.00 -2.81 0.00 0.00 179.45 176.21 1nye n ALA 1143N -2.46 2.61 0.31 5.00 0.00 -0.93 -4.64 120.51 120.40 1nye n ALA 1143Ca 0.05 -0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.31 1nye n ALA 1143Cb 0.27 -0.41 0.07 0.00 0.00 0.00 0.00 19.45 19.38 1nye n ALA 1143CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nye h GLY 1144N 2.26 0.00 -2.91 0.00 0.00 -0.09 -3.34 103.07 98.99 1nye h GLY 1144Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1nye h GLY 1144CO 0.00 0.00 0.51 0.00 0.00 0.00 0.00 176.54 177.05 1nye h PRO 1146N 2.21 -0.04 -0.84 0.00 0.11 -1.91 -0.78 132.00 130.75 1nye h PRO 1146Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1nye h PRO 1146Cb 1.25 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1nye h PRO 1146CO 0.61 -0.03 0.46 0.28 -0.21 0.00 0.00 178.00 179.11 1nye h VAL 1147N -0.04 1.25 -0.89 3.15 2.07 -1.93 -2.52 116.25 117.33 1nye h VAL 1147Ca 0.33 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1nye h VAL 1147Cb 0.60 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1nye h VAL 1147CO -0.91 0.28 0.50 0.28 0.02 0.00 0.00 177.57 177.74 1nye h SER 1148N 1.17 1.10 0.49 0.57 0.02 -1.50 -2.92 113.55 112.49 1nye h SER 1148Ca 0.30 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1nye h SER 1148Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1nye h SER 1148CO -0.05 0.88 -0.30 1.56 -1.14 0.00 0.00 176.83 177.79 1nye h GLN 1149N 1.24 0.00 0.00 3.45 1.08 -0.88 -3.05 115.11 116.96 1nye h GLN 1149Ca 0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1nye h GLN 1149Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1nye h GLN 1149CO -0.05 0.30 -0.64 0.28 -0.95 0.00 0.00 178.83 177.77 1nye n VAL 1150N -3.83 0.27 -3.26 -0.54 0.31 -1.00 -4.86 118.33 105.42 1nye n VAL 1150Ca -0.01 -0.22 -0.39 0.00 -0.01 0.00 0.00 64.34 63.71 1nye n VAL 1150Cb 0.38 -0.03 -0.06 0.00 -0.91 0.00 0.00 33.84 33.22 1nye n VAL 1150CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1nye s LEU 1151N -3.96 4.23 0.00 7.52 1.43 -1.13 -4.95 118.68 121.83 1nye s LEU 1151Ca 0.07 0.80 0.26 0.00 -1.03 0.00 0.00 54.13 54.23 1nye s LEU 1151Cb 0.14 -2.74 0.59 0.00 0.03 0.00 0.00 46.19 44.21 1nye s LEU 1151CO 0.72 -0.08 1.47 2.29 0.23 0.00 0.00 176.35 180.98 1nye n LYS 1152N 4.09 1.19 -1.25 1.70 2.85 -1.26 -4.93 118.16 120.55 1nye n LYS 1152Ca -0.06 -0.81 -0.31 0.00 -1.05 0.00 0.00 58.31 56.09 1nye n LYS 1152Cb 0.51 -1.48 0.11 0.00 -0.65 0.00 0.00 35.03 33.51 1nye n LYS 1152CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nye s ALA 1153N -2.36 2.03 0.21 0.58 0.00 -1.26 -4.98 121.76 115.97 1nye s ALA 1153Ca 0.26 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1nye s ALA 1153Cb 0.19 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1nye s ALA 1153CO 0.48 -1.95 1.20 -2.00 0.00 0.00 0.00 175.76 173.49 1nye s GLU 1154N -4.92 4.50 -0.16 0.00 2.12 -0.97 -4.86 118.70 114.41 1nye s GLU 1154Ca 0.62 1.91 0.01 0.00 0.36 0.00 0.00 54.97 57.86 1nye s GLU 1154Cb -0.17 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.02 1nye s GLU 1154CO 0.56 -0.06 -0.17 0.42 -0.54 0.00 0.00 175.26 175.47 1nye s ILE 1155N -0.31 1.83 0.19 -3.70 1.01 -1.26 -0.88 121.20 118.09 1nye s ILE 1155Ca 0.51 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1nye s ILE 1155Cb -0.33 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1nye s ILE 1155CO 0.39 0.50 0.06 0.42 0.00 0.00 0.00 174.94 176.31 1nye s THR 1156N 1.35 3.98 -0.21 2.92 -4.23 -1.11 -4.99 115.64 113.35 1nye s THR 1156Ca 0.04 -1.38 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1nye s THR 1156Cb -0.13 -3.04 0.07 0.00 1.34 0.00 0.00 72.50 70.74 1nye s THR 1156CO -0.11 -0.17 0.07 -0.22 -0.54 0.00 0.00 174.62 173.66 1nye s LEU 1157N -3.17 0.90 -0.19 4.79 1.98 -1.26 -0.63 118.68 121.11 1nye s LEU 1157Ca 0.29 -0.90 -0.05 0.00 -2.89 0.00 0.00 54.13 50.58 1nye s LEU 1157Cb -0.09 -0.46 -0.02 0.00 0.66 0.00 0.00 46.19 46.27 1nye s LEU 1157CO 0.21 -0.35 -0.01 -1.81 -1.89 0.00 0.00 176.35 172.50 1nye s ASP 1158N 1.97 4.83 0.09 3.68 1.11 0.36 -5.02 116.67 123.68 1nye s ASP 1158Ca 0.03 -0.18 -0.08 0.00 0.18 0.00 0.00 52.55 52.50 1nye s ASP 1158Cb -0.17 -1.82 -0.01 0.00 1.07 0.00 0.00 42.92 42.00 1nye s ASP 1158CO -0.14 0.09 0.17 -0.72 1.18 0.00 0.00 175.17 175.74 1nye s TYR 1159N 0.86 0.23 -0.07 4.23 1.13 -1.26 0.05 117.35 122.52 1nye s TYR 1159Ca 0.00 -0.67 0.03 0.00 -1.41 0.00 0.00 57.07 55.03 1nye s TYR 1159Cb -0.14 -0.11 0.01 0.00 -1.10 0.00 0.00 41.96 40.61 1nye s TYR 1159CO 0.02 -0.53 -0.17 -0.65 -2.51 0.00 0.00 175.55 171.70 1nye s GLN 1160N -3.88 2.18 -0.18 -3.49 -0.21 -0.34 -4.97 119.66 108.77 1nye s GLN 1160Ca 0.06 -0.61 -0.02 0.00 0.02 0.00 0.00 55.36 54.82 1nye s GLN 1160Cb 0.05 -1.74 -0.01 0.00 1.00 0.00 0.00 33.01 32.32 1nye s GLN 1160CO -0.10 0.12 -0.10 -1.17 -2.12 0.00 0.00 175.29 171.92 1nye s LEU 1161N 0.44 2.70 -0.26 2.90 1.98 -1.26 -0.81 118.68 124.37 1nye s LEU 1161Ca -0.14 -0.42 -0.18 0.00 -2.89 0.00 0.00 54.13 50.50 1nye s LEU 1161Cb -0.16 -1.65 -0.03 0.00 0.66 0.00 0.00 46.19 45.02 1nye s LEU 1161CO 0.05 0.05 0.53 -0.54 -1.89 0.00 0.00 176.35 174.55 1nye s LYS 1162N 1.07 4.08 0.00 1.98 1.02 0.59 -5.00 119.74 123.48 1nye s LYS 1162Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1nye s LYS 1162Cb -0.15 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 1nye s LYS 1162CO -0.02 -0.35 0.00 0.43 -0.92 0.00 0.00 175.35 174.49