#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfn h LYS 1002N 0.00 0.60 0.00 2.12 6.56 -1.96 -1.03 116.57 122.87 1sfn h LYS 1002Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1sfn h LYS 1002Cb 0.00 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.52 1sfn h LYS 1002CO 0.00 0.40 0.00 -2.39 -2.06 0.00 0.00 179.45 175.40 1sfn n HIS 1003N -4.59 0.00 -0.68 -1.35 1.44 -1.26 -1.85 115.22 106.93 1sfn n HIS 1003Ca 0.19 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.97 1sfn n HIS 1003Cb 0.56 -0.28 0.19 0.00 0.12 0.00 0.00 29.99 30.58 1sfn n HIS 1003CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1sfn n LEU 1004N -1.28 3.27 0.00 2.39 4.77 -0.40 -4.98 117.00 120.77 1sfn n LEU 1004Ca 0.08 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 1sfn n LEU 1004Cb 0.13 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1sfn n LEU 1004CO 0.13 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1sfn n GLY 1005N -0.31 0.61 3.76 -0.72 0.00 -0.77 -5.07 105.19 102.69 1sfn n GLY 1005Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1sfn n GLY 1005CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sfn s GLN 1006N -0.79 4.52 0.22 1.61 0.74 -1.19 -5.01 119.66 119.77 1sfn s GLN 1006Ca 0.00 1.94 -0.23 0.00 0.05 0.00 0.00 55.36 57.12 1sfn s GLN 1006Cb 0.00 -3.17 0.04 0.00 1.10 0.00 0.00 33.01 30.98 1sfn s GLN 1006CO 0.00 0.02 0.83 0.95 -0.55 0.00 0.00 175.29 176.55 1sfn s THR 1007N -0.87 0.00 -1.60 -0.34 -4.23 -1.26 -4.25 115.64 103.09 1sfn s THR 1007Ca 0.48 -0.84 0.14 0.00 -1.18 0.00 0.00 61.69 60.28 1sfn s THR 1007Cb -0.34 -2.00 0.17 0.00 1.34 0.00 0.00 72.50 71.67 1sfn s THR 1007CO 0.43 0.00 1.03 0.54 -0.54 0.00 0.00 174.62 176.08 1sfn n ARG 1008N -0.47 1.36 -1.82 3.99 1.74 -1.26 -4.99 116.66 115.22 1sfn n ARG 1008Ca -0.05 -1.52 -0.31 0.00 -0.77 0.00 0.00 57.85 55.20 1sfn n ARG 1008Cb 0.60 -1.28 0.02 0.00 -1.02 0.00 0.00 32.46 30.78 1sfn n ARG 1008CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1sfn s SER 1009N -1.12 6.00 -0.16 0.55 0.01 -1.26 -4.87 113.70 112.85 1sfn s SER 1009Ca 0.19 1.50 -0.29 0.00 1.31 0.00 0.00 55.95 58.66 1sfn s SER 1009Cb 0.12 -2.48 0.09 0.00 0.21 0.00 0.00 66.02 63.96 1sfn s SER 1009CO 0.18 -1.02 0.82 0.00 0.41 0.00 0.00 173.24 173.63 1sfn s ALA 1010N -3.09 -1.84 -0.07 1.44 0.00 -0.57 -4.94 121.76 112.68 1sfn s ALA 1010Ca 0.56 1.63 0.03 0.00 0.00 0.00 0.00 51.96 54.18 1sfn s ALA 1010Cb -0.12 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1sfn s ALA 1010CO 0.52 -0.33 -0.17 -1.17 0.00 0.00 0.00 175.76 174.62 1sfn s LEU 1011N -0.61 1.84 0.23 0.00 1.98 -1.26 -1.37 118.68 119.49 1sfn s LEU 1011Ca -0.04 -0.40 0.01 0.00 -2.89 0.00 0.00 54.13 50.81 1sfn s LEU 1011Cb -0.02 -1.05 -0.04 0.00 0.66 0.00 0.00 46.19 45.74 1sfn s LEU 1011CO 0.03 0.10 0.15 -1.00 -1.89 0.00 0.00 176.35 173.74 1sfn s HIS 1012N 0.45 1.29 0.16 5.38 3.76 0.01 -5.01 115.29 121.33 1sfn s HIS 1012Ca -0.14 -1.42 -0.16 0.00 -0.15 0.00 0.00 55.06 53.19 1sfn s HIS 1012Cb -0.16 -0.61 0.09 0.00 1.11 0.00 0.00 32.58 33.02 1sfn s HIS 1012CO 0.05 -0.66 1.70 0.78 -0.85 0.00 0.00 174.74 175.76 1sfn h GLY 1013N 2.52 0.37 -1.11 -2.22 0.00 -1.99 -3.22 103.07 97.43 1sfn h GLY 1013Ca -0.34 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1sfn h GLY 1013CO 0.51 -0.09 0.00 1.44 0.00 0.00 0.00 176.54 178.39 1sfn n SER 1014N -5.19 3.35 -3.58 0.19 7.64 -1.26 -1.33 113.62 113.45 1sfn n SER 1014Ca 0.02 -2.93 -0.06 0.00 1.01 0.00 0.00 58.87 56.91 1sfn n SER 1014Cb 0.20 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 1sfn n SER 1014CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1sfn s HIS 1015N -2.65 -0.20 -0.16 1.43 0.00 -1.22 0.57 115.29 113.06 1sfn s HIS 1015Ca 0.37 0.18 -0.16 0.00 -3.00 0.00 0.00 55.06 52.45 1sfn s HIS 1015Cb 0.30 0.51 0.04 0.00 -4.00 0.00 0.00 32.58 29.43 1sfn s HIS 1015CO 0.08 -0.28 0.45 0.00 -1.00 0.00 0.00 174.74 173.98 1sfn s ALA 1016N -2.27 -1.11 -0.31 -1.38 0.00 -0.08 -0.81 121.76 115.80 1sfn s ALA 1016Ca 0.07 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 1sfn s ALA 1016Cb -0.01 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.44 1sfn s ALA 1016CO -0.05 -0.22 0.04 0.08 0.00 0.00 0.00 175.76 175.61 1sfn s VAL 1017N 0.19 3.32 -0.32 0.00 1.01 -0.47 -0.30 120.40 123.82 1sfn s VAL 1017Ca -0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 61.98 60.67 1sfn s VAL 1017Cb -0.03 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.50 1sfn s VAL 1017CO 0.01 -0.12 0.08 -0.63 0.00 0.00 0.00 175.10 174.44 1sfn s ILE 1018N 1.32 3.73 0.08 2.22 1.01 0.11 -1.51 121.20 128.16 1sfn s ILE 1018Ca -0.03 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1sfn s ILE 1018Cb -0.19 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1sfn s ILE 1018CO 0.00 -0.07 0.16 0.42 0.00 0.00 0.00 174.94 175.45 1sfn s THR 1019N 1.42 5.00 0.29 2.92 -4.23 -1.26 -0.50 115.64 119.27 1sfn s THR 1019Ca -0.01 -0.60 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1sfn s THR 1019Cb -0.19 -3.44 0.32 0.00 1.34 0.00 0.00 72.50 70.52 1sfn s THR 1019CO 0.02 0.10 1.65 -0.65 -0.54 0.00 0.00 174.62 175.20 1sfn h PRO 1020N 3.05 0.21 0.00 3.99 0.11 -1.98 -2.36 132.00 135.02 1sfn h PRO 1020Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sfn h PRO 1020Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sfn h PRO 1020CO 0.71 0.14 0.00 1.05 -0.21 0.00 0.00 178.00 179.68 1sfn h GLU 1021N 0.21 0.00 -0.00 1.05 -0.00 -1.99 -1.61 114.58 112.24 1sfn h GLU 1021Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.93 1sfn h GLU 1021Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1sfn h GLU 1021CO -0.66 0.00 -0.53 0.25 -0.00 0.00 0.00 179.01 178.07 1sfn n THR 1022N -2.80 0.00 -1.55 -1.06 -2.24 -0.89 -4.97 114.28 100.77 1sfn n THR 1022Ca -0.01 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.34 1sfn n THR 1022Cb 0.12 0.37 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1sfn n THR 1022CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1sfn n PHE 1023N -1.38 0.43 -3.98 4.78 0.99 -0.61 -5.01 117.46 112.68 1sfn n PHE 1023Ca 0.06 0.53 -0.22 0.00 -0.00 0.00 0.00 57.45 57.83 1sfn n PHE 1023Cb 0.34 -2.11 -0.17 0.00 -1.00 0.00 0.00 39.48 36.53 1sfn n PHE 1023CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1sfn s VAL 1024N -1.43 0.52 -0.16 -4.37 1.01 -1.26 -5.12 120.40 109.59 1sfn s VAL 1024Ca 0.66 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 1sfn s VAL 1024Cb -0.53 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1sfn s VAL 1024CO 0.55 0.25 0.82 -0.13 0.00 0.00 0.00 175.10 176.59 1sfn s ARG 1025N 1.41 4.30 0.00 2.72 3.00 -1.26 -4.45 118.95 124.67 1sfn s ARG 1025Ca -0.03 0.99 0.00 0.00 0.00 0.00 0.00 55.73 56.69 1sfn s ARG 1025Cb -0.13 -3.57 0.00 0.00 0.00 0.00 0.00 34.95 31.25 1sfn s ARG 1025CO -0.03 -0.31 0.00 0.25 0.00 0.00 0.00 175.30 175.22 1sfn n THR 1026N 4.69 0.00 -4.12 0.02 -2.24 0.25 -4.89 114.28 107.99 1sfn n THR 1026Ca 0.04 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1sfn n THR 1026Cb 0.49 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 1sfn n THR 1026CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sfn s ALA 1027N -2.00 0.68 -0.02 6.98 0.00 -1.26 -0.55 121.76 125.59 1sfn s ALA 1027Ca 0.00 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1sfn s ALA 1027Cb 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1sfn s ALA 1027CO 0.00 -0.35 -0.16 -0.51 0.00 0.00 0.00 175.76 174.73 1sfn s LEU 1028N -2.97 2.02 0.25 0.00 1.43 -1.26 -4.98 118.68 113.17 1sfn s LEU 1028Ca 0.10 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1sfn s LEU 1028Cb 0.07 -0.86 0.46 0.00 0.03 0.00 0.00 46.19 45.89 1sfn s LEU 1028CO -0.07 0.20 1.73 0.00 0.23 0.00 0.00 176.35 178.44 1sfn h ALA 1029N 5.78 1.07 -0.00 4.21 0.00 -2.01 -0.79 119.26 127.52 1sfn h ALA 1029Ca -0.36 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sfn h ALA 1029Cb 1.15 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sfn h ALA 1029CO 0.48 -0.20 -0.00 -0.85 0.00 0.00 0.00 179.25 178.68 1sfn n GLU 1030N -4.99 0.81 -2.75 0.00 0.00 -1.26 -4.00 120.64 108.46 1sfn n GLU 1030Ca 0.14 -0.02 -0.27 0.00 0.00 0.00 0.00 57.16 57.01 1sfn n GLU 1030Cb 0.41 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.33 1sfn n GLU 1030CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1sfn n TRP 1031N -1.07 3.80 -1.72 -1.84 7.02 -0.30 -1.15 117.44 122.18 1sfn n TRP 1031Ca 0.20 -3.63 -0.43 0.00 -1.02 0.00 0.00 57.50 52.63 1sfn n TRP 1031Cb 0.16 -0.33 -0.02 0.00 -2.42 0.00 0.00 31.31 28.70 1sfn n TRP 1031CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1sfn n PRO 1032N -0.34 2.56 0.00 -0.99 -0.04 -1.25 -1.91 135.00 133.03 1sfn n PRO 1032Ca 0.34 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.72 1sfn n PRO 1032Cb 0.50 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1sfn n PRO 1032CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sfn n GLY 1033N 2.88 2.57 3.94 0.55 0.00 -1.26 -4.14 105.19 109.73 1sfn n GLY 1033Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1sfn n GLY 1033CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sfn s SER 1034N -2.03 6.36 -0.13 1.61 0.01 -0.80 -4.58 113.70 114.13 1sfn s SER 1034Ca 0.00 0.27 -0.11 0.00 1.31 0.00 0.00 55.95 57.42 1sfn s SER 1034Cb 0.00 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 1sfn s SER 1034CO 0.00 -0.01 0.23 0.00 0.41 0.00 0.00 173.24 173.86 1sfn s ALA 1035N -1.84 3.72 -0.11 1.44 0.00 -0.82 -4.76 121.76 119.39 1sfn s ALA 1035Ca 0.36 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1sfn s ALA 1035Cb -0.11 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1sfn s ALA 1035CO 0.29 0.33 -0.19 0.42 0.00 0.00 0.00 175.76 176.61 1sfn s ILE 1036N -0.25 2.50 -0.52 0.00 -1.09 0.29 -0.98 121.20 121.14 1sfn s ILE 1036Ca 0.15 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1sfn s ILE 1036Cb -0.13 -2.00 0.13 0.00 -1.58 0.00 0.00 42.46 38.89 1sfn s ILE 1036CO 0.04 0.55 0.29 -0.69 -1.23 0.00 0.00 174.94 173.90 1sfn s VAL 1037N 0.28 3.12 -0.76 2.92 1.01 -0.82 0.86 120.40 127.02 1sfn s VAL 1037Ca -0.14 -2.81 -0.27 0.00 0.00 0.00 0.00 61.98 58.77 1sfn s VAL 1037Cb -0.17 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1sfn s VAL 1037CO 0.07 -0.78 1.29 -0.22 0.00 0.00 0.00 175.10 175.46 1sfn s LEU 1038N 0.23 3.21 -0.06 3.92 0.20 -1.26 -2.00 118.68 122.92 1sfn s LEU 1038Ca 0.14 -0.55 -0.24 0.00 0.69 0.00 0.00 54.13 54.18 1sfn s LEU 1038Cb -0.22 -2.56 -0.25 0.00 -0.43 0.00 0.00 46.19 42.73 1sfn s LEU 1038CO -0.03 -1.81 0.98 0.45 -0.29 0.00 0.00 176.35 175.65 1sfn h HIS 1039N 10.00 0.30 -3.16 5.38 3.86 -1.61 -3.45 115.15 126.47 1sfn h HIS 1039Ca -0.24 -0.18 -0.62 0.00 -1.16 0.00 0.00 60.37 58.18 1sfn h HIS 1039Cb 1.05 -0.03 -0.35 0.00 1.06 0.00 0.00 27.41 29.14 1sfn h HIS 1039CO 1.14 1.02 -0.84 0.42 0.86 0.00 0.00 177.93 180.53 1sfn s ILE 1040N -2.89 1.72 0.20 2.45 1.01 -0.78 -4.98 121.20 117.93 1sfn s ILE 1040Ca -0.16 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 59.85 1sfn s ILE 1040Cb 0.01 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1sfn s ILE 1040CO 0.76 0.48 -0.21 0.00 0.00 0.00 0.00 174.94 175.97 1sfn s ALA 1041N 1.21 2.37 0.59 9.38 0.00 -1.26 -1.68 121.76 132.37 1sfn s ALA 1041Ca 0.00 -1.63 0.32 0.00 0.00 0.00 0.00 51.96 50.65 1sfn s ALA 1041Cb -0.14 -0.26 1.28 0.00 0.00 0.00 0.00 23.12 24.00 1sfn s ALA 1041CO -0.07 0.33 1.57 -1.35 0.00 0.00 0.00 175.76 176.23 1sfn h PRO 1042N 3.05 0.00 -0.15 0.00 0.11 -1.73 -1.51 132.00 131.76 1sfn h PRO 1042Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sfn h PRO 1042Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sfn h PRO 1042CO 0.51 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.63 1sfn n VAL 1043N -3.59 0.05 -2.47 3.15 0.24 -1.26 -1.88 118.33 112.58 1sfn n VAL 1043Ca 0.23 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.34 62.08 1sfn n VAL 1043Cb 1.34 -0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.63 1sfn n VAL 1043CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1sfn s VAL 1044N -1.84 3.48 0.00 3.34 -7.23 -0.57 -4.86 120.40 112.72 1sfn s VAL 1044Ca 0.02 1.47 0.00 0.00 -1.81 0.00 0.00 61.98 61.66 1sfn s VAL 1044Cb 0.01 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 33.03 1sfn s VAL 1044CO 0.01 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1sfn n GLY 1045N 1.12 1.05 0.00 2.32 0.00 -1.26 -0.19 105.19 108.23 1sfn n GLY 1045Ca -0.01 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.32 1sfn n GLY 1045CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sfn n LEU 1046N 0.00 0.00 0.00 0.99 4.77 -0.44 -4.97 117.00 117.35 1sfn n LEU 1046Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1sfn n LEU 1046Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1sfn n LEU 1046CO 0.00 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1sfn n GLY 1047N 1.15 4.17 3.03 -0.72 0.00 0.73 -5.13 105.19 108.41 1sfn n GLY 1047Ca 0.16 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1sfn n GLY 1047CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfn s ALA 1048N -1.21 -0.03 -0.32 4.61 0.00 -0.78 -4.87 121.76 119.16 1sfn s ALA 1048Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.59 1sfn s ALA 1048Cb 0.00 0.14 0.46 0.00 0.00 0.00 0.00 23.12 23.72 1sfn s ALA 1048CO 0.00 -0.18 1.35 0.54 0.00 0.00 0.00 175.76 177.47 1sfn n ARG 1049N 1.52 2.71 -3.31 0.00 3.00 -1.26 -4.24 116.66 115.08 1sfn n ARG 1049Ca -0.23 -3.69 -0.04 0.00 -0.01 0.00 0.00 57.85 53.88 1sfn n ARG 1049Cb 0.55 -2.05 0.02 0.00 0.00 0.00 0.00 32.46 30.98 1sfn n ARG 1049CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1sfn n PHE 1050N -0.91 -1.47 -4.11 -1.55 -1.74 -1.26 -4.72 117.46 101.70 1sfn n PHE 1050Ca 0.39 -1.15 -0.14 0.00 -0.56 0.00 0.00 57.45 55.98 1sfn n PHE 1050Cb 0.90 0.57 -0.13 0.00 1.52 0.00 0.00 39.48 42.33 1sfn n PHE 1050CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1sfn s VAL 1051N -2.20 0.48 -0.06 1.97 -7.23 -0.78 -3.41 120.40 109.18 1sfn s VAL 1051Ca 0.16 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1sfn s VAL 1051Cb -0.03 -0.49 0.02 0.00 0.56 0.00 0.00 36.38 36.44 1sfn s VAL 1051CO 0.06 -0.14 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.03 1sfn s GLN 1052N -0.89 1.37 0.15 4.82 0.74 -0.68 -1.30 119.66 123.87 1sfn s GLN 1052Ca -0.04 -0.29 -0.14 0.00 0.05 0.00 0.00 55.36 54.94 1sfn s GLN 1052Cb -0.06 -1.21 0.02 0.00 1.10 0.00 0.00 33.01 32.86 1sfn s GLN 1052CO 0.00 -0.03 0.40 -0.59 -0.55 0.00 0.00 175.29 174.51 1sfn s PHE 1053N 0.84 -0.02 -0.07 1.67 -0.12 -0.57 -1.42 117.98 118.29 1sfn s PHE 1053Ca -0.12 -0.32 0.04 0.00 -0.05 0.00 0.00 56.93 56.48 1sfn s PHE 1053Cb -0.15 0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.44 1sfn s PHE 1053CO 0.02 -0.76 -0.20 0.95 -0.05 0.00 0.00 175.22 175.17 1sfn s THR 1054N -3.86 2.50 -0.24 -4.49 -4.23 -0.84 -0.52 115.64 103.94 1sfn s THR 1054Ca 0.08 -0.90 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 1sfn s THR 1054Cb 0.01 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1sfn s THR 1054CO -0.07 0.56 0.12 0.00 -0.54 0.00 0.00 174.62 174.70 1sfn s ALA 1055N -0.16 3.41 -0.55 3.99 0.00 0.43 -1.94 121.76 126.95 1sfn s ALA 1055Ca -0.03 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.77 1sfn s ALA 1055Cb -0.14 -2.23 0.13 0.00 0.00 0.00 0.00 23.12 20.88 1sfn s ALA 1055CO 0.04 -0.32 0.53 -1.21 0.00 0.00 0.00 175.76 174.79 1sfn s GLU 1056N 1.32 3.00 -0.27 0.00 2.02 -0.15 -0.98 118.70 123.63 1sfn s GLU 1056Ca 0.06 -1.66 -0.14 0.00 0.02 0.00 0.00 54.97 53.25 1sfn s GLU 1056Cb -0.15 -4.30 -0.04 0.00 0.10 0.00 0.00 34.13 29.75 1sfn s GLU 1056CO 0.06 -1.36 0.34 -1.64 0.02 0.00 0.00 175.26 172.68 1sfn s MET 1057N 1.74 3.99 0.42 1.61 -1.94 0.91 -1.95 119.30 124.08 1sfn s MET 1057Ca 0.04 -0.03 -0.23 0.00 -1.71 0.00 0.00 55.69 53.76 1sfn s MET 1057Cb -0.29 -3.66 -0.09 0.00 2.01 0.00 0.00 34.83 32.80 1sfn s MET 1057CO 0.03 -0.27 1.05 -2.14 -0.01 0.00 0.00 175.02 173.68 1sfn s PRO 1058N 2.02 4.08 0.13 2.03 0.02 -1.26 -0.11 135.00 141.91 1sfn s PRO 1058Ca 0.14 1.49 -0.35 0.00 0.02 0.00 0.00 61.00 62.30 1sfn s PRO 1058Cb -0.16 -2.45 -0.16 0.00 0.02 0.00 0.00 34.50 31.75 1sfn s PRO 1058CO 0.10 -0.21 1.28 0.00 -0.33 0.00 0.00 177.00 177.85 1sfn n ALA 1059N -0.25 -0.71 0.00 -1.55 0.00 -1.26 -1.48 120.51 115.25 1sfn n ALA 1059Ca 0.06 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1sfn n ALA 1059Cb 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1sfn n ALA 1059CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfn n GLY 1060N 2.36 3.26 3.75 0.00 0.00 0.19 -4.93 105.19 109.82 1sfn n GLY 1060Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1sfn n GLY 1060CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfn s ALA 1061N -2.58 2.76 0.07 4.61 0.00 -0.55 -4.69 121.76 121.37 1sfn s ALA 1061Ca 0.00 1.20 0.09 0.00 0.00 0.00 0.00 51.96 53.26 1sfn s ALA 1061Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1sfn s ALA 1061CO 0.00 -1.23 -0.25 -0.65 0.00 0.00 0.00 175.76 173.62 1sfn s GLN 1062N -2.97 1.62 -0.02 0.00 -0.21 -1.26 -1.87 119.66 114.95 1sfn s GLN 1062Ca 0.72 -1.14 0.02 0.00 0.02 0.00 0.00 55.36 54.98 1sfn s GLN 1062Cb -0.36 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 31.78 1sfn s GLN 1062CO 0.42 0.47 -0.08 0.00 -2.12 0.00 0.00 175.29 173.99 1sfn s ALA 1063N -0.88 0.74 0.23 6.09 0.00 0.25 -3.79 121.76 124.40 1sfn s ALA 1063Ca 0.11 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1sfn s ALA 1063Cb -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1sfn s ALA 1063CO 0.03 0.12 0.11 0.25 0.00 0.00 0.00 175.76 176.27 1sfn n THR 1064N 3.26 0.00 -1.86 0.00 -2.24 -0.30 0.29 114.28 113.44 1sfn n THR 1064Ca -0.18 -0.97 -0.34 0.00 -2.27 0.00 0.00 64.05 60.29 1sfn n THR 1064Cb 0.55 -0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1sfn n THR 1064CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sfn s GLU 1065N -2.89 2.85 0.15 -0.78 8.01 -1.15 -4.83 118.70 120.05 1sfn s GLU 1065Ca 0.08 1.57 0.01 0.00 0.01 0.00 0.00 54.97 56.64 1sfn s GLU 1065Cb -0.01 -1.94 0.01 0.00 -4.31 0.00 0.00 34.13 27.88 1sfn s GLU 1065CO 0.05 -1.25 0.08 -1.13 0.01 0.00 0.00 175.26 173.03 1sfn n SER 1066N -2.07 1.72 -0.17 -0.19 3.41 -1.26 -4.90 113.62 110.17 1sfn n SER 1066Ca 0.12 -1.56 0.14 0.00 -0.26 0.00 0.00 58.87 57.31 1sfn n SER 1066Cb 0.51 0.02 0.60 0.00 -0.26 0.00 0.00 64.21 65.08 1sfn n SER 1066CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sfn n VAL 1067N -0.73 0.00 -4.00 -3.33 0.31 -1.26 -3.82 118.33 105.50 1sfn n VAL 1067Ca -0.02 -0.09 -0.26 0.00 -0.01 0.00 0.00 64.34 63.96 1sfn n VAL 1067Cb 0.18 0.01 -0.03 0.00 -0.91 0.00 0.00 33.84 33.08 1sfn n VAL 1067CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1sfn s TYR 1068N -2.38 2.02 0.40 3.52 1.51 -1.26 -4.02 117.35 117.15 1sfn s TYR 1068Ca 0.31 -0.75 -0.25 0.00 -1.01 0.00 0.00 57.07 55.37 1sfn s TYR 1068Cb 0.20 -1.92 -0.08 0.00 -0.11 0.00 0.00 41.96 40.04 1sfn s TYR 1068CO 0.45 -0.19 1.17 -0.65 -1.11 0.00 0.00 175.55 175.22 1sfn s GLN 1069N -4.13 4.03 -0.07 -0.62 -0.21 0.77 -3.89 119.66 115.56 1sfn s GLN 1069Ca 0.34 1.84 -0.00 0.00 0.02 0.00 0.00 55.36 57.56 1sfn s GLN 1069Cb -0.00 -2.65 0.02 0.00 1.00 0.00 0.00 33.01 31.38 1sfn s GLN 1069CO 0.20 -0.34 -0.03 0.50 -2.12 0.00 0.00 175.29 173.50 1sfn s ARG 1070N -2.33 0.85 -0.27 2.91 3.52 -0.50 -2.25 118.95 120.89 1sfn s ARG 1070Ca 0.58 -0.04 -0.02 0.00 -0.13 0.00 0.00 55.73 56.12 1sfn s ARG 1070Cb -0.31 -1.02 0.03 0.00 -1.56 0.00 0.00 34.95 32.10 1sfn s ARG 1070CO 0.38 -0.20 -0.03 0.12 -0.81 0.00 0.00 175.30 174.76 1sfn s PHE 1071N 1.48 3.14 -0.14 5.12 2.19 -0.57 -0.48 117.98 128.72 1sfn s PHE 1071Ca -0.02 -1.63 -0.01 0.00 0.33 0.00 0.00 56.93 55.60 1sfn s PHE 1071Cb -0.13 -2.08 -0.01 0.00 -1.31 0.00 0.00 43.02 39.48 1sfn s PHE 1071CO -0.03 -0.75 -0.12 0.00 1.83 0.00 0.00 175.22 176.15 1sfn s ALA 1072N 1.31 2.64 -0.17 11.12 0.00 -0.60 -1.49 121.76 134.57 1sfn s ALA 1072Ca -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1sfn s ALA 1072Cb -0.18 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.69 1sfn s ALA 1072CO -0.03 0.15 -0.17 0.12 0.00 0.00 0.00 175.76 175.83 1sfn s PHE 1073N 0.51 2.50 -0.19 0.00 2.19 0.23 -1.36 117.98 121.86 1sfn s PHE 1073Ca -0.08 -1.45 -0.29 0.00 0.33 0.00 0.00 56.93 55.43 1sfn s PHE 1073Cb -0.16 -1.77 0.00 0.00 -1.31 0.00 0.00 43.02 39.78 1sfn s PHE 1073CO 0.04 -0.74 1.04 0.08 1.83 0.00 0.00 175.22 177.46 1sfn s VAL 1074N 1.37 4.70 -0.09 3.12 1.01 -0.68 -0.09 120.40 129.75 1sfn s VAL 1074Ca 0.05 2.02 0.03 0.00 0.00 0.00 0.00 61.98 64.08 1sfn s VAL 1074Cb -0.13 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 31.70 1sfn s VAL 1074CO -0.12 -0.13 0.50 0.18 0.00 0.00 0.00 175.10 175.54 1sfn n LEU 1075N 5.95 1.78 -3.54 3.92 4.77 0.08 -0.15 117.00 129.81 1sfn n LEU 1075Ca 0.11 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 1sfn n LEU 1075Cb 0.47 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1sfn n LEU 1075CO 0.52 0.63 0.35 -0.94 -1.33 0.00 0.00 177.39 176.62 1sfn s SER 1076N -6.57 -0.44 0.01 -1.43 1.04 -1.09 -4.73 113.70 100.48 1sfn s SER 1076Ca -0.14 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1sfn s SER 1076Cb 0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1sfn s SER 1076CO 0.80 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1sfn n GLY 1077N -0.35 -1.60 2.88 7.32 0.00 -1.26 -2.18 105.19 109.99 1sfn n GLY 1077Ca -0.15 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 1sfn n GLY 1077CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sfn s GLU 1078N 0.00 0.76 -0.10 1.61 2.02 -1.26 -4.03 118.70 117.70 1sfn s GLU 1078Ca 0.00 -0.08 0.01 0.00 0.02 0.00 0.00 54.97 54.92 1sfn s GLU 1078Cb 0.00 -0.80 0.02 0.00 0.10 0.00 0.00 34.13 33.45 1sfn s GLU 1078CO 0.00 -0.09 -0.11 0.08 0.02 0.00 0.00 175.26 175.16 1sfn s VAL 1079N 0.95 1.18 -0.11 2.63 1.01 0.52 -0.65 120.40 125.93 1sfn s VAL 1079Ca -0.11 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1sfn s VAL 1079Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1sfn s VAL 1079CO -0.00 0.38 0.74 -1.81 0.00 0.00 0.00 175.10 174.41 1sfn s ASP 1080N 1.23 6.95 -0.32 3.32 1.01 0.47 0.59 116.67 129.92 1sfn s ASP 1080Ca -0.03 1.15 -0.07 0.00 0.71 0.00 0.00 52.55 54.31 1sfn s ASP 1080Cb -0.14 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1sfn s ASP 1080CO -0.03 -0.22 0.09 -0.69 0.21 0.00 0.00 175.17 174.53 1sfn s VAL 1081N 1.34 3.88 -0.36 -1.27 1.01 0.10 -0.98 120.40 124.13 1sfn s VAL 1081Ca 0.37 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1sfn s VAL 1081Cb -0.17 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1sfn s VAL 1081CO 0.16 -0.06 0.17 0.00 0.00 0.00 0.00 175.10 175.37 1sfn s ALA 1082N 1.45 3.21 0.00 5.51 0.00 0.29 -1.31 121.76 130.91 1sfn s ALA 1082Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1sfn s ALA 1082Cb -0.18 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1sfn s ALA 1082CO 0.03 -1.30 0.00 1.33 0.00 0.00 0.00 175.76 175.81 1sfn n VAL 1083N 4.94 0.00 -2.40 0.00 0.24 -0.19 -1.23 118.33 119.69 1sfn n VAL 1083Ca -0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.75 1sfn n VAL 1083Cb 0.46 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.81 1sfn n VAL 1083CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1sfn s GLY 1084N 0.00 1.22 0.00 7.63 0.00 -1.26 -4.21 107.32 110.70 1sfn s GLY 1084Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1sfn s GLY 1084CO 0.00 2.67 0.00 0.61 0.00 0.00 0.00 173.10 176.38 1sfn n GLY 1085N 4.76 0.71 3.90 0.20 0.00 -1.26 -4.88 105.19 108.63 1sfn n GLY 1085Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1sfn n GLY 1085CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sfn s GLU 1086N 0.00 3.52 -0.10 1.61 2.12 -1.26 -5.11 118.70 119.48 1sfn s GLU 1086Ca 0.00 -0.24 -0.08 0.00 0.36 0.00 0.00 54.97 55.02 1sfn s GLU 1086Cb 0.00 -3.03 0.03 0.00 0.26 0.00 0.00 34.13 31.39 1sfn s GLU 1086CO 0.00 0.61 0.25 0.95 -0.54 0.00 0.00 175.26 176.53 1sfn s THR 1087N -1.43 -0.01 0.13 -1.70 -4.23 -1.26 -1.02 115.64 106.11 1sfn s THR 1087Ca 0.32 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1sfn s THR 1087Cb -0.13 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1sfn s THR 1087CO 0.22 0.02 -0.18 -0.13 -0.54 0.00 0.00 174.62 174.00 1sfn s ARG 1088N 0.45 1.15 -0.36 3.99 0.52 -0.42 -4.94 118.95 119.33 1sfn s ARG 1088Ca -0.03 -1.25 -0.13 0.00 -0.52 0.00 0.00 55.73 53.80 1sfn s ARG 1088Cb -0.04 -1.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.16 1sfn s ARG 1088CO -0.02 0.27 0.25 -0.08 0.02 0.00 0.00 175.30 175.74 1sfn s THR 1089N -1.65 5.27 0.00 0.02 -1.32 -1.26 0.02 115.64 116.73 1sfn s THR 1089Ca 0.10 -0.33 -0.15 0.00 -1.21 0.00 0.00 61.69 60.10 1sfn s THR 1089Cb -0.08 -3.77 -0.06 0.00 -1.51 0.00 0.00 72.50 67.09 1sfn s THR 1089CO 0.05 -0.08 0.43 -0.76 -2.21 0.00 0.00 174.62 172.04 1sfn s LEU 1090N 1.71 4.47 0.00 9.08 1.43 0.20 -4.91 118.68 130.66 1sfn s LEU 1090Ca 0.06 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1sfn s LEU 1090Cb -0.18 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1sfn s LEU 1090CO 0.10 0.31 0.00 0.54 0.23 0.00 0.00 176.35 177.53 1sfn n ARG 1091N 1.90 2.02 -1.64 1.70 1.74 -1.26 -0.36 116.66 120.75 1sfn n ARG 1091Ca -0.13 0.00 -0.54 0.00 -0.77 0.00 0.00 57.85 56.40 1sfn n ARG 1091Cb 0.52 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.90 1sfn n ARG 1091CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1sfn n GLU 1092N -0.02 1.16 -1.12 5.56 2.13 -1.26 -1.36 120.64 125.73 1sfn n GLU 1092Ca 0.00 0.42 -0.04 0.00 0.66 0.00 0.00 57.16 58.20 1sfn n GLU 1092Cb 0.00 -2.08 -0.02 0.00 0.27 0.00 0.00 31.44 29.61 1sfn n GLU 1092CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1sfn n TYR 1093N 3.75 0.00 -3.49 4.31 4.02 0.79 -4.93 117.16 121.61 1sfn n TYR 1093Ca 0.22 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.82 1sfn n TYR 1093Cb 0.17 -1.31 -0.03 0.00 -0.02 0.00 0.00 39.34 38.14 1sfn n TYR 1093CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1sfn s ASP 1094N -2.39 6.44 0.21 7.72 1.01 -0.47 -0.93 116.67 128.26 1sfn s ASP 1094Ca 0.00 0.61 -0.11 0.00 0.71 0.00 0.00 52.55 53.76 1sfn s ASP 1094Cb 0.00 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.82 1sfn s ASP 1094CO 0.00 -0.12 0.39 -0.72 0.21 0.00 0.00 175.17 174.93 1sfn s TYR 1095N -1.96 0.38 -0.03 4.23 1.13 0.49 -1.69 117.35 119.91 1sfn s TYR 1095Ca 0.42 -0.73 -0.05 0.00 -1.41 0.00 0.00 57.07 55.30 1sfn s TYR 1095Cb -0.11 0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1sfn s TYR 1095CO 0.29 -0.86 0.12 0.08 -2.51 0.00 0.00 175.55 172.67 1sfn s VAL 1096N -4.00 0.04 -0.15 -3.49 1.01 -0.46 -2.19 120.40 111.15 1sfn s VAL 1096Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1sfn s VAL 1096Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1sfn s VAL 1096CO 0.05 -0.17 -0.11 -0.47 0.00 0.00 0.00 175.10 174.40 1sfn s TYR 1097N -0.55 2.86 -0.15 5.22 6.14 0.60 -1.56 117.35 129.91 1sfn s TYR 1097Ca -0.06 -0.75 0.02 0.00 0.64 0.00 0.00 57.07 56.92 1sfn s TYR 1097Cb -0.04 -1.91 0.01 0.00 0.42 0.00 0.00 41.96 40.44 1sfn s TYR 1097CO 0.01 -0.31 -0.21 -0.51 0.64 0.00 0.00 175.55 175.17 1sfn s LEU 1098N 0.66 2.07 0.83 6.97 1.43 0.37 -1.96 118.68 129.04 1sfn s LEU 1098Ca -0.06 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 1sfn s LEU 1098Cb -0.15 -1.41 0.05 0.00 0.03 0.00 0.00 46.19 44.70 1sfn s LEU 1098CO 0.02 0.05 0.83 -2.65 0.23 0.00 0.00 176.35 174.83 1sfn n PRO 1099N 4.26 0.03 -1.71 1.29 -0.02 -1.26 -1.41 135.00 136.18 1sfn n PRO 1099Ca -0.20 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 1sfn n PRO 1099Cb 0.51 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1sfn n PRO 1099CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sfn s ALA 1100N -2.19 3.83 0.00 3.55 0.00 -1.26 -1.97 121.76 123.72 1sfn s ALA 1100Ca 0.67 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1sfn s ALA 1100Cb -0.28 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1sfn s ALA 1100CO 0.57 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1sfn n GLY 1101N 4.16 3.09 3.69 0.00 0.00 -1.25 -4.91 105.19 109.97 1sfn n GLY 1101Ca 0.17 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.61 1sfn n GLY 1101CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sfn n GLU 1102N -1.39 0.87 -2.27 1.61 -0.58 -0.83 -4.85 120.64 113.20 1sfn n GLU 1102Ca 0.00 0.32 -0.41 0.00 -0.42 0.00 0.00 57.16 56.65 1sfn n GLU 1102Cb 0.00 -1.95 -0.03 0.00 -0.57 0.00 0.00 31.44 28.89 1sfn n GLU 1102CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1sfn s LYS 1103N 2.71 4.43 0.06 3.49 2.20 -1.26 -4.72 119.74 126.65 1sfn s LYS 1103Ca 0.97 1.99 -0.28 0.00 -0.36 0.00 0.00 55.97 58.29 1sfn s LYS 1103Cb -1.14 -3.21 0.09 0.00 -1.51 0.00 0.00 37.83 32.06 1sfn s LYS 1103CO 0.65 -0.19 1.07 -3.38 -0.36 0.00 0.00 175.35 173.14 1sfn s HIS 1104N 0.03 -0.13 -0.00 4.03 -3.43 -1.26 -4.45 115.29 110.09 1sfn s HIS 1104Ca 0.55 -0.08 -0.01 0.00 -0.80 0.00 0.00 55.06 54.71 1sfn s HIS 1104Cb -0.35 0.59 -0.00 0.00 -1.43 0.00 0.00 32.58 31.39 1sfn s HIS 1104CO 0.38 -0.59 0.02 1.41 -2.00 0.00 0.00 174.74 173.96 1sfn s MET 1105N -2.95 0.15 -0.17 -0.38 1.75 -0.37 -2.94 119.30 114.40 1sfn s MET 1105Ca 0.12 -0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.38 1sfn s MET 1105Cb 0.01 0.06 0.01 0.00 2.84 0.00 0.00 34.83 37.75 1sfn s MET 1105CO -0.01 -0.03 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.63 1sfn s LEU 1106N -0.53 2.21 -0.09 4.11 1.43 0.15 -0.55 118.68 125.40 1sfn s LEU 1106Ca -0.06 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 1sfn s LEU 1106Cb -0.04 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.69 1sfn s LEU 1106CO -0.00 0.04 -0.23 -0.89 0.23 0.00 0.00 176.35 175.49 1sfn s THR 1107N 1.09 2.00 -0.41 5.49 2.01 -0.15 -0.58 115.64 125.09 1sfn s THR 1107Ca -0.00 -0.99 -0.27 0.00 0.31 0.00 0.00 61.69 60.73 1sfn s THR 1107Cb -0.14 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.66 1sfn s THR 1107CO -0.07 0.55 1.00 0.00 -0.69 0.00 0.00 174.62 175.41 1sfn s ALA 1108N 0.29 3.32 -0.07 7.40 0.00 -0.78 -0.40 121.76 131.52 1sfn s ALA 1108Ca -0.17 -0.47 0.24 0.00 0.00 0.00 0.00 51.96 51.57 1sfn s ALA 1108Cb -0.17 -3.67 0.70 0.00 0.00 0.00 0.00 23.12 19.98 1sfn s ALA 1108CO 0.08 -1.84 1.73 0.87 0.00 0.00 0.00 175.76 176.60 1sfn h LYS 1109N 8.72 0.00 -3.01 0.00 1.57 -1.23 0.54 116.57 123.16 1sfn h LYS 1109Ca -0.23 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1sfn h LYS 1109Cb 1.07 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.23 1sfn h LYS 1109CO 1.03 0.18 -0.00 -0.08 -0.57 0.00 0.00 179.45 180.01 1sfn s THR 1110N -3.41 0.04 -0.26 -0.16 -1.32 -1.22 -4.70 115.64 104.62 1sfn s THR 1110Ca 0.03 -0.35 -0.42 0.00 -1.21 0.00 0.00 61.69 59.74 1sfn s THR 1110Cb 0.08 -1.02 -0.18 0.00 -1.51 0.00 0.00 72.50 69.87 1sfn s THR 1110CO 0.65 -0.19 1.51 0.47 -2.21 0.00 0.00 174.62 174.84 1sfn n ASP 1111N 0.18 1.39 -4.18 8.08 10.43 -1.26 -4.16 116.55 127.03 1sfn n ASP 1111Ca -0.18 1.14 -0.11 0.00 2.57 0.00 0.00 54.79 58.21 1sfn n ASP 1111Cb 0.62 -1.01 -0.10 0.00 1.84 0.00 0.00 41.12 42.47 1sfn n ASP 1111CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sfn s ALA 1112N 2.24 1.02 -0.07 2.24 0.00 0.85 -4.18 121.76 123.86 1sfn s ALA 1112Ca 0.97 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1sfn s ALA 1112Cb -1.25 0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1sfn s ALA 1112CO 0.67 -0.46 -0.11 1.03 0.00 0.00 0.00 175.76 176.89 1sfn s ARG 1113N -4.03 1.58 -0.06 0.00 0.52 -0.93 -0.07 118.95 115.97 1sfn s ARG 1113Ca 0.26 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 1sfn s ARG 1113Cb 0.07 -1.34 0.01 0.00 0.52 0.00 0.00 34.95 34.21 1sfn s ARG 1113CO 0.03 -0.01 -0.12 0.08 0.02 0.00 0.00 175.30 175.31 1sfn s VAL 1114N 0.76 1.12 -0.11 3.52 1.01 -0.15 -0.75 120.40 125.80 1sfn s VAL 1114Ca -0.13 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 1sfn s VAL 1114Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1sfn s VAL 1114CO 0.03 0.35 0.58 -0.55 0.00 0.00 0.00 175.10 175.51 1sfn s SER 1115N 0.58 6.79 -0.03 3.32 0.15 0.87 -0.43 113.70 124.95 1sfn s SER 1115Ca -0.13 0.95 0.03 0.00 0.70 0.00 0.00 55.95 57.50 1sfn s SER 1115Cb -0.15 -2.34 -0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1sfn s SER 1115CO 0.03 -0.09 -0.13 -0.69 1.20 0.00 0.00 173.24 173.56 1sfn s VAL 1116N 0.92 1.10 -0.10 4.45 1.01 0.32 -0.60 120.40 127.49 1sfn s VAL 1116Ca 0.30 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1sfn s VAL 1116Cb -0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1sfn s VAL 1116CO 0.13 0.33 -0.17 -0.36 0.00 0.00 0.00 175.10 175.03 1sfn s PHE 1117N 0.07 2.71 -0.06 5.22 0.40 -0.55 -1.51 117.98 124.25 1sfn s PHE 1117Ca -0.02 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.66 1sfn s PHE 1117Cb -0.09 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.69 1sfn s PHE 1117CO 0.01 -0.20 -0.12 -1.21 0.70 0.00 0.00 175.22 174.41 1sfn s GLU 1118N 0.14 1.64 -0.02 0.44 2.02 -0.42 -1.50 118.70 121.00 1sfn s GLU 1118Ca -0.09 -0.39 -0.09 0.00 0.02 0.00 0.00 54.97 54.43 1sfn s GLU 1118Cb -0.15 -1.37 0.01 0.00 0.10 0.00 0.00 34.13 32.71 1sfn s GLU 1118CO 0.05 0.02 0.19 0.21 0.02 0.00 0.00 175.26 175.75 1sfn s LYS 1119N 0.70 0.46 0.62 1.61 2.20 -0.95 -1.86 119.74 122.51 1sfn s LYS 1119Ca -0.14 -0.20 -0.14 0.00 -0.36 0.00 0.00 55.97 55.14 1sfn s LYS 1119Cb -0.16 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 1sfn s LYS 1119CO 0.03 -0.11 1.05 -1.25 -0.36 0.00 0.00 175.35 174.71 1sfn s PRO 1120N -1.02 3.29 -0.17 4.03 0.04 -1.26 -0.16 135.00 139.76 1sfn s PRO 1120Ca -0.11 1.04 -0.13 0.00 0.04 0.00 0.00 61.00 61.84 1sfn s PRO 1120Cb -0.06 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1sfn s PRO 1120CO 0.02 -0.82 0.27 -0.47 0.04 0.00 0.00 177.00 176.04 1sfn s TYR 1121N -2.75 3.45 -0.90 0.56 6.14 -1.26 -4.84 117.35 117.74 1sfn s TYR 1121Ca 0.60 0.55 -0.16 0.00 0.64 0.00 0.00 57.07 58.70 1sfn s TYR 1121Cb -0.14 -2.32 0.18 0.00 0.42 0.00 0.00 41.96 40.10 1sfn s TYR 1121CO 0.44 0.24 0.96 -0.65 0.64 0.00 0.00 175.55 177.18 1sfn s GLN 1122N 0.48 3.64 0.94 4.97 -0.21 -1.26 -5.04 119.66 123.18 1sfn s GLN 1122Ca 0.15 -2.18 -0.11 0.00 0.02 0.00 0.00 55.36 53.24 1sfn s GLN 1122Cb -0.13 -4.68 0.13 0.00 1.00 0.00 0.00 33.01 29.34 1sfn s GLN 1122CO 0.03 -1.52 0.97 0.25 -2.12 0.00 0.00 175.29 172.90 1sfn n THR 1123N 4.63 0.00 -4.22 -0.19 -2.24 -1.26 -4.95 114.28 106.05 1sfn n THR 1123Ca 0.20 -0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 1sfn n THR 1123Cb 0.48 -0.91 -0.17 0.00 -2.10 0.00 0.00 70.33 67.63 1sfn n THR 1123CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sfn s VAL 1124N -2.58 1.08 0.06 2.28 1.01 -1.26 -5.06 120.40 115.94 1sfn s VAL 1124Ca 0.65 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1sfn s VAL 1124Cb -0.23 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1sfn s VAL 1124CO 0.60 0.36 0.55 1.21 0.00 0.00 0.00 175.10 177.82 1sfn n GLU 1125N 4.41 -0.14 -0.35 2.72 0.00 -1.26 -0.62 120.64 125.40 1sfn n GLU 1125Ca -0.18 0.54 0.12 0.00 0.00 0.00 0.00 57.16 57.64 1sfn n GLU 1125Cb 0.51 -0.79 0.31 0.00 0.00 0.00 0.00 31.44 31.46 1sfn n GLU 1125CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sfn n GLY 1126N -1.11 2.39 3.52 8.31 0.00 -1.26 -4.94 105.19 112.10 1sfn n GLY 1126Ca 0.01 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1sfn n GLY 1126CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sfn s VAL 1127N -1.07 3.84 0.05 1.61 1.01 0.21 -5.10 120.40 120.94 1sfn s VAL 1127Ca 0.48 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1sfn s VAL 1127Cb 0.25 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1sfn s VAL 1127CO 0.33 0.53 0.67 -1.58 0.00 0.00 0.00 175.10 175.04 1sfn s GLN 1128N 0.03 4.39 0.42 2.72 0.74 -1.26 -4.41 119.66 122.28 1sfn s GLN 1128Ca -0.00 0.89 -0.27 0.00 0.05 0.00 0.00 55.36 56.04 1sfn s GLN 1128Cb -0.13 -3.32 -0.10 0.00 1.10 0.00 0.00 33.01 30.56 1sfn s GLN 1128CO 0.03 0.41 1.44 0.00 -0.55 0.00 0.00 175.29 176.62 1sfn n ALA 1129N 2.43 2.11 -1.76 1.58 0.00 -1.26 -4.90 120.51 118.71 1sfn n ALA 1129Ca -0.06 0.29 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 1sfn n ALA 1129Cb 0.50 -2.39 0.02 0.00 0.00 0.00 0.00 19.45 17.58 1sfn n ALA 1129CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sfn s PRO 1130N -2.27 3.26 0.35 0.00 0.04 -1.26 -5.04 135.00 130.08 1sfn s PRO 1130Ca 0.58 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 63.35 1sfn s PRO 1130Cb -0.47 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.09 1sfn s PRO 1130CO 0.60 -0.96 0.48 0.41 0.04 0.00 0.00 177.00 177.57 1sfn n GLY 1131N 0.39 -0.53 3.72 0.56 0.00 -1.26 -4.66 105.19 103.41 1sfn n GLY 1131Ca 0.12 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1sfn n GLY 1131CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sfn n VAL 1132N -2.45 2.82 -3.97 1.61 0.31 -1.26 -4.74 118.33 110.65 1sfn n VAL 1132Ca 0.07 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.72 1sfn n VAL 1132Cb 0.23 -1.64 -0.16 0.00 -0.91 0.00 0.00 33.84 31.36 1sfn n VAL 1132CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1sfn s TYR 1133N -1.22 0.43 0.24 3.52 6.14 -0.83 -4.98 117.35 120.65 1sfn s TYR 1133Ca 0.63 -0.05 0.08 0.00 0.64 0.00 0.00 57.07 58.37 1sfn s TYR 1133Cb -0.48 -0.49 -0.04 0.00 0.42 0.00 0.00 41.96 41.37 1sfn s TYR 1133CO 0.56 -0.16 0.06 -1.58 0.64 0.00 0.00 175.55 175.08 1sfn s TRP 1134N 1.07 2.86 -0.13 4.97 0.52 -1.26 -0.29 118.94 126.68 1sfn s TRP 1134Ca -0.09 -0.17 -0.34 0.00 0.02 0.00 0.00 56.10 55.53 1sfn s TRP 1134Cb -0.14 -1.30 0.14 0.00 -1.15 0.00 0.00 33.47 31.02 1sfn s TRP 1134CO -0.01 0.57 1.30 0.20 0.02 0.00 0.00 176.95 179.03 1sfn s GLY 1135N -3.56 -0.36 -0.05 0.98 0.00 -0.93 -5.00 107.32 98.40 1sfn s GLY 1135Ca 0.31 1.22 0.02 0.00 0.00 0.00 0.00 44.72 46.27 1sfn s GLY 1135CO 0.21 0.34 -0.09 0.21 0.00 0.00 0.00 173.10 173.77 1sfn s ASN 1136N -2.58 1.42 0.18 1.64 2.47 -1.26 -0.38 114.94 116.43 1sfn s ASN 1136Ca 0.12 -0.23 -0.13 0.00 0.42 0.00 0.00 52.86 53.04 1sfn s ASN 1136Cb 0.03 -0.66 0.11 0.00 -1.45 0.00 0.00 41.25 39.28 1sfn s ASN 1136CO -0.04 0.00 1.80 -0.08 -3.72 0.00 0.00 177.10 175.06 1sfn h GLU 1137N 7.01 0.54 -0.01 0.43 4.22 -1.40 -3.08 114.58 122.28 1sfn h GLU 1137Ca -0.34 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 58.96 1sfn h GLU 1137Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1sfn h GLU 1137CO 0.48 0.35 -0.49 0.00 -2.18 0.00 0.00 179.01 177.17 1sfn h ARG 1138N 0.55 0.03 0.00 1.92 3.08 -1.94 -2.93 114.38 115.09 1sfn h ARG 1138Ca 0.21 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1sfn h ARG 1138Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1sfn h ARG 1138CO -0.12 0.52 -0.33 0.93 -1.07 0.00 0.00 179.97 179.90 1sfn h GLU 1139N 0.03 0.00 -6.27 0.04 5.08 -1.93 -3.42 114.58 108.10 1sfn h GLU 1139Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.79 1sfn h GLU 1139Cb 0.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1sfn h GLU 1139CO 0.07 0.33 1.11 1.21 -1.00 0.00 0.00 179.01 180.73 1sfn s ASN 1140N -6.58 6.44 -1.05 1.42 3.84 -1.11 -4.94 114.94 112.95 1sfn s ASN 1140Ca -0.02 1.70 -0.17 0.00 0.21 0.00 0.00 52.86 54.59 1sfn s ASN 1140Cb 0.13 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.44 1sfn s ASN 1140CO 0.68 -1.20 1.26 -2.16 -2.79 0.00 0.00 177.10 172.90 1sfn s PRO 1141N 4.55 3.82 0.43 0.43 0.04 -1.26 -5.00 135.00 138.00 1sfn s PRO 1141Ca 0.71 -2.12 -0.05 0.00 0.04 0.00 0.00 61.00 59.58 1sfn s PRO 1141Cb -0.26 -4.99 0.08 0.00 0.04 0.00 0.00 34.50 29.37 1sfn s PRO 1141CO 0.28 -1.77 0.17 0.41 0.04 0.00 0.00 177.00 176.13 1sfn n GLY 1142N 4.89 -1.56 3.36 0.56 0.00 -1.26 -5.03 105.19 106.15 1sfn n GLY 1142Ca 0.30 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1sfn n GLY 1142CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sfn s TYR 1143N -1.18 2.04 -0.14 1.61 1.13 0.17 -4.87 117.35 116.11 1sfn s TYR 1143Ca 0.13 -0.41 -0.29 0.00 -1.41 0.00 0.00 57.07 55.09 1sfn s TYR 1143Cb -0.02 -1.06 -0.05 0.00 -1.10 0.00 0.00 41.96 39.72 1sfn s TYR 1143CO 0.11 0.34 1.87 -2.14 -2.51 0.00 0.00 175.55 173.22 1sfn s PRO 1144N -2.35 3.74 0.00 -3.49 0.02 -1.26 -1.27 135.00 130.39 1sfn s PRO 1144Ca 0.14 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1sfn s PRO 1144Cb -0.08 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1sfn s PRO 1144CO 0.07 -1.39 0.23 0.34 -0.33 0.00 0.00 177.00 175.92 1sfn n PHE 1145N 8.96 0.00 -2.56 6.54 7.35 0.52 -2.11 117.46 136.16 1sfn n PHE 1145Ca 0.22 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.63 1sfn n PHE 1145Cb 0.44 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.26 1sfn n PHE 1145CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1sfn n GLU 1146N -0.66 3.39 0.00 -4.13 1.02 -1.26 -4.79 120.64 114.21 1sfn n GLU 1146Ca 0.00 -4.54 0.00 0.00 -0.02 0.00 0.00 57.16 52.60 1sfn n GLU 1146Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 1sfn n GLU 1146CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sfn n GLY 1147N -0.42 1.39 3.65 0.62 0.00 -0.90 -5.04 105.19 104.50 1sfn n GLY 1147Ca 0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 1sfn n GLY 1147CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sfn s ASP 1148N -2.13 7.03 0.00 1.61 3.68 -1.26 -4.91 116.67 120.68 1sfn s ASP 1148Ca 0.00 1.25 0.31 0.00 2.13 0.00 0.00 52.55 56.23 1sfn s ASP 1148Cb 0.00 -2.53 1.72 0.00 -1.45 0.00 0.00 42.92 40.66 1sfn s ASP 1148CO 0.00 -0.71 2.12 -0.90 0.13 0.00 0.00 175.17 175.81 1sfn n ASP 1149N 6.44 0.24 -0.92 -0.34 5.75 -1.26 -2.89 116.55 123.57 1sfn n ASP 1149Ca 0.11 -1.11 0.09 0.00 -0.01 0.00 0.00 54.79 53.88 1sfn n ASP 1149Cb 0.46 -0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.74 1sfn n ASP 1149CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1sfn n HIS 1150N -0.80 0.49 -3.54 2.11 8.25 -1.26 -4.69 115.22 115.79 1sfn n HIS 1150Ca 0.23 -0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 1sfn n HIS 1150Cb 0.15 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.13 1sfn n HIS 1150CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1sfn s LEU 1151N -1.16 1.53 -0.20 2.41 0.20 -1.14 -1.31 118.68 119.01 1sfn s LEU 1151Ca 0.32 -2.35 -0.18 0.00 0.69 0.00 0.00 54.13 52.60 1sfn s LEU 1151Cb 0.18 -0.60 -0.03 0.00 -0.43 0.00 0.00 46.19 45.31 1sfn s LEU 1151CO 0.24 -0.29 0.52 -0.63 -0.29 0.00 0.00 176.35 175.90 1sfn s ILE 1152N 0.82 5.11 -0.08 6.68 -1.09 -0.40 -0.36 121.20 131.87 1sfn s ILE 1152Ca 0.18 0.96 -0.03 0.00 -2.23 0.00 0.00 60.65 59.53 1sfn s ILE 1152Cb -0.23 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1sfn s ILE 1152CO 0.00 0.18 0.04 0.00 -1.23 0.00 0.00 174.94 173.93 1sfn s ALA 1153N 1.61 3.44 -0.18 9.38 0.00 -0.40 -1.10 121.76 134.51 1sfn s ALA 1153Ca 0.24 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1sfn s ALA 1153Cb -0.15 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.43 1sfn s ALA 1153CO 0.10 0.61 0.01 1.03 0.00 0.00 0.00 175.76 177.50 1sfn s ARG 1154N -1.00 0.89 -0.28 0.00 0.52 -0.69 -0.65 118.95 117.74 1sfn s ARG 1154Ca 0.15 -0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 54.62 1sfn s ARG 1154Cb -0.12 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.33 1sfn s ARG 1154CO 0.04 -0.57 1.03 0.15 0.02 0.00 0.00 175.30 175.97 1sfn s LYS 1155N 1.78 4.15 0.24 3.54 1.02 -1.26 -1.61 119.74 127.60 1sfn s LYS 1155Ca -0.01 1.16 0.24 0.00 0.02 0.00 0.00 55.97 57.38 1sfn s LYS 1155Cb -0.17 -3.69 0.40 0.00 -0.52 0.00 0.00 37.83 33.85 1sfn s LYS 1155CO -0.07 -0.76 1.46 -0.07 -0.92 0.00 0.00 175.35 174.99 1sfn h LEU 1156N 9.75 0.00 -8.79 3.17 3.38 -1.25 -3.46 115.31 118.10 1sfn h LEU 1156Ca -0.20 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.10 1sfn h LEU 1156Cb 1.06 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.60 1sfn h LEU 1156CO 1.00 0.03 -0.84 -0.76 0.09 0.00 0.00 178.44 177.96 1sfn s LEU 1157N -5.05 2.33 0.15 1.67 1.43 -1.24 -4.92 118.68 113.04 1sfn s LEU 1157Ca 0.06 -0.73 -0.34 0.00 -1.03 0.00 0.00 54.13 52.09 1sfn s LEU 1157Cb 0.10 -1.02 -0.15 0.00 0.03 0.00 0.00 46.19 45.15 1sfn s LEU 1157CO 0.69 0.10 1.41 -2.65 0.23 0.00 0.00 176.35 176.13 1sfn n PRO 1158N 0.91 1.65 -2.44 1.29 -0.02 -1.26 -4.83 135.00 130.30 1sfn n PRO 1158Ca -0.18 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 1sfn n PRO 1158Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1sfn n PRO 1158CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sfn n ASP 1159N 2.72 4.83 -4.00 2.55 4.64 -1.26 -4.86 116.55 121.16 1sfn n ASP 1159Ca 0.16 -2.97 -0.16 0.00 -1.38 0.00 0.00 54.79 50.45 1sfn n ASP 1159Cb 0.25 -1.61 -0.14 0.00 -1.04 0.00 0.00 41.12 38.58 1sfn n ASP 1159CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1sfn s GLU 1160N 2.31 0.53 0.64 -0.67 2.02 -1.26 -5.04 118.70 117.23 1sfn s GLU 1160Ca 0.46 -0.35 0.25 0.00 0.02 0.00 0.00 54.97 55.36 1sfn s GLU 1160Cb 0.06 -0.48 1.34 0.00 0.10 0.00 0.00 34.13 35.14 1sfn s GLU 1160CO 0.00 0.12 1.76 -1.00 0.02 0.00 0.00 175.26 176.17 1sfn h PRO 1161N 5.67 0.00 0.00 0.39 0.13 -1.94 0.49 132.00 136.73 1sfn h PRO 1161Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 1sfn h PRO 1161Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1sfn h PRO 1161CO 0.48 0.00 -0.39 0.00 -0.23 0.00 0.00 178.00 177.86 1sfn h ALA 1162N 1.14 1.29 -2.57 -0.56 0.00 -1.94 -3.44 119.26 113.17 1sfn h ALA 1162Ca 0.07 -0.35 -0.49 0.00 0.00 0.00 0.00 54.91 54.14 1sfn h ALA 1162Cb 1.08 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.82 1sfn h ALA 1162CO -0.00 0.48 0.42 -0.06 0.00 0.00 0.00 179.25 180.10 1sfn s PHE 1163N -4.06 3.33 0.05 0.00 0.40 0.16 -4.59 117.98 113.27 1sfn s PHE 1163Ca -0.02 1.66 0.06 0.00 -0.60 0.00 0.00 56.93 58.02 1sfn s PHE 1163Cb 0.14 -3.16 -0.23 0.00 0.51 0.00 0.00 43.02 40.27 1sfn s PHE 1163CO 0.72 -0.61 1.01 0.22 0.70 0.00 0.00 175.22 177.26 1sfn h ASP 1164N 2.78 0.11 -2.41 1.36 3.58 -1.85 -3.42 116.42 116.57 1sfn h ASP 1164Ca -0.48 -0.15 -0.10 0.00 0.42 0.00 0.00 57.03 56.73 1sfn h ASP 1164Cb 1.21 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1sfn h ASP 1164CO 0.63 1.12 -0.04 2.22 -2.88 0.00 0.00 179.24 180.29 1sfn n PHE 1165N -3.30 -0.88 -3.92 0.28 -1.74 -1.26 -0.93 117.46 105.71 1sfn n PHE 1165Ca -0.09 -0.87 -0.10 0.00 -0.56 0.00 0.00 57.45 55.84 1sfn n PHE 1165Cb 1.00 0.22 -0.11 0.00 1.52 0.00 0.00 39.48 42.11 1sfn n PHE 1165CO 0.00 0.00 0.00 1.41 -0.56 0.00 0.00 176.76 177.61 1sfn s MET 1166N -2.27 0.33 -0.05 3.97 1.75 -0.71 -4.79 119.30 117.52 1sfn s MET 1166Ca 0.10 -0.44 0.01 0.00 -1.25 0.00 0.00 55.69 54.12 1sfn s MET 1166Cb -0.01 0.13 0.02 0.00 2.84 0.00 0.00 34.83 37.81 1sfn s MET 1166CO 0.07 -0.07 -0.07 0.08 -0.65 0.00 0.00 175.02 174.39 1sfn s VAL 1167N -1.22 0.77 0.23 10.11 1.01 -1.25 -1.91 120.40 128.13 1sfn s VAL 1167Ca -0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1sfn s VAL 1167Cb -0.08 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1sfn s VAL 1167CO 0.00 0.28 0.30 -0.94 0.00 0.00 0.00 175.10 174.74 1sfn s SER 1168N 0.85 0.11 0.12 3.32 1.04 0.05 -0.65 113.70 118.54 1sfn s SER 1168Ca -0.12 -1.20 0.10 0.00 0.48 0.00 0.00 55.95 55.21 1sfn s SER 1168Cb -0.15 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1sfn s SER 1168CO 0.01 -1.00 -0.25 0.42 0.98 0.00 0.00 173.24 173.40 1sfn s THR 1169N -4.03 2.12 -0.10 2.02 -4.23 -0.63 0.62 115.64 111.40 1sfn s THR 1169Ca 0.31 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 1sfn s THR 1169Cb 0.03 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 72.00 1sfn s THR 1169CO 0.11 0.06 -0.16 -0.04 -0.54 0.00 0.00 174.62 174.06 1sfn s MET 1170N -1.99 2.29 -0.13 3.99 -1.94 -0.60 -1.70 119.30 119.22 1sfn s MET 1170Ca 0.12 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1sfn s MET 1170Cb -0.10 -1.91 -0.00 0.00 2.01 0.00 0.00 34.83 34.83 1sfn s MET 1170CO 0.05 -0.03 -0.17 -1.12 -0.01 0.00 0.00 175.02 173.75 1sfn s SER 1171N 0.88 3.61 -0.11 3.03 0.01 -0.26 -1.85 113.70 119.00 1sfn s SER 1171Ca -0.09 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.75 1sfn s SER 1171Cb -0.15 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1sfn s SER 1171CO 0.00 0.13 -0.23 -0.36 0.41 0.00 0.00 173.24 173.19 1sfn s PHE 1172N 0.55 2.57 0.72 2.43 0.40 0.67 -1.28 117.98 124.05 1sfn s PHE 1172Ca -0.10 -1.15 -0.12 0.00 -0.60 0.00 0.00 56.93 54.95 1sfn s PHE 1172Cb -0.16 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.67 1sfn s PHE 1172CO 0.04 -0.49 1.09 0.00 0.70 0.00 0.00 175.22 176.56 1sfn s ALA 1173N 0.54 2.38 0.06 5.36 0.00 -0.43 -0.13 121.76 129.55 1sfn s ALA 1173Ca -0.14 0.35 -0.34 0.00 0.00 0.00 0.00 51.96 51.82 1sfn s ALA 1173Cb -0.17 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1sfn s ALA 1173CO 0.04 -1.52 1.66 -2.30 0.00 0.00 0.00 175.76 173.64 1sfn n PRO 1174N -3.07 2.03 0.00 0.00 -0.02 -1.26 -0.69 135.00 131.99 1sfn n PRO 1174Ca 0.09 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1sfn n PRO 1174Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1sfn n PRO 1174CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sfn n GLY 1175N 3.68 1.14 3.86 -1.23 0.00 0.16 -5.00 105.19 107.79 1sfn n GLY 1175Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1sfn n GLY 1175CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfn s ALA 1176N -2.37 3.10 0.07 4.61 0.00 0.13 -4.78 121.76 122.52 1sfn s ALA 1176Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 1sfn s ALA 1176Cb 0.00 -3.08 0.06 0.00 0.00 0.00 0.00 23.12 20.10 1sfn s ALA 1176CO 0.00 -0.48 0.60 -1.54 0.00 0.00 0.00 175.76 174.33 1sfn s SER 1177N -3.70 -0.55 0.38 0.00 1.04 -1.26 -1.38 113.70 108.23 1sfn s SER 1177Ca 0.56 0.23 -0.26 0.00 0.48 0.00 0.00 55.95 56.96 1sfn s SER 1177Cb -0.11 0.55 -0.11 0.00 0.10 0.00 0.00 66.02 66.46 1sfn s SER 1177CO 0.44 -0.81 1.17 0.18 0.98 0.00 0.00 173.24 175.20 1sfn n LEU 1178N 0.17 3.23 0.19 2.42 4.77 -0.85 -4.83 117.00 122.10 1sfn n LEU 1178Ca -0.18 1.12 0.14 0.00 -0.03 0.00 0.00 56.01 57.06 1sfn n LEU 1178Cb 0.62 -1.43 0.74 0.00 -2.33 0.00 0.00 43.42 41.02 1sfn n LEU 1178CO 0.17 -0.93 1.12 -0.65 -1.33 0.00 0.00 177.39 175.77 1sfn h PRO 1179N 2.04 0.00 -2.69 3.23 0.11 -2.00 -3.46 132.00 129.23 1sfn h PRO 1179Ca -0.45 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.76 1sfn h PRO 1179Cb 1.31 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.34 1sfn h PRO 1179CO 0.60 0.00 0.35 1.52 -0.21 0.00 0.00 178.00 180.25 1sfn s TYR 1180N -4.89 -0.22 -0.00 0.65 -0.85 -1.26 -5.12 117.35 105.66 1sfn s TYR 1180Ca -0.05 -0.13 -0.30 0.00 -0.52 0.00 0.00 57.07 56.07 1sfn s TYR 1180Cb 0.17 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 43.12 1sfn s TYR 1180CO 0.64 -0.98 1.23 0.00 -1.52 0.00 0.00 175.55 174.91 1sfn s ALA 1181N -3.59 3.47 0.20 9.51 0.00 -1.26 -4.80 121.76 125.28 1sfn s ALA 1181Ca 0.10 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 1sfn s ALA 1181Cb -0.03 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1sfn s ALA 1181CO 0.02 -0.66 0.59 -1.21 0.00 0.00 0.00 175.76 174.50 1sfn s GLU 1182N 1.81 3.97 -0.25 0.00 2.02 -0.28 -4.82 118.70 121.16 1sfn s GLU 1182Ca 0.58 0.50 -0.03 0.00 0.02 0.00 0.00 54.97 56.05 1sfn s GLU 1182Cb -0.27 -2.79 0.11 0.00 0.10 0.00 0.00 34.13 31.27 1sfn s GLU 1182CO 0.25 0.39 0.23 0.08 0.02 0.00 0.00 175.26 176.23 1sfn s VAL 1183N -1.62 -0.31 0.06 2.63 1.01 -1.26 -1.79 120.40 119.11 1sfn s VAL 1183Ca 0.43 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1sfn s VAL 1183Cb -0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 1sfn s VAL 1183CO 0.20 -0.38 0.12 -1.38 0.00 0.00 0.00 175.10 173.66 1sfn s HIS 1184N 2.30 0.22 0.16 5.22 -3.43 -1.26 -4.96 115.29 113.54 1sfn s HIS 1184Ca 0.08 -0.61 0.35 0.00 -0.80 0.00 0.00 55.06 54.07 1sfn s HIS 1184Cb -0.15 -0.14 1.63 0.00 -1.43 0.00 0.00 32.58 32.49 1sfn s HIS 1184CO -0.23 -0.45 2.04 0.10 -2.00 0.00 0.00 174.74 174.19 1sfn h TYR 1185N 3.16 0.00 -3.53 0.38 -0.00 -1.96 0.37 116.97 115.39 1sfn h TYR 1185Ca -0.33 0.00 -0.52 0.00 0.00 0.00 0.00 58.73 57.88 1sfn h TYR 1185Cb 1.18 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.92 1sfn h TYR 1185CO 0.49 0.00 0.51 -1.64 -0.00 0.00 0.00 178.16 177.52 1sfn s MET 1186N -3.76 4.55 0.33 0.10 1.00 -1.26 -4.44 119.30 115.83 1sfn s MET 1186Ca -0.01 1.79 -0.06 0.00 0.00 0.00 0.00 55.69 57.41 1sfn s MET 1186Cb 0.10 -3.26 -0.05 0.00 0.00 0.00 0.00 34.83 31.62 1sfn s MET 1186CO 0.44 0.01 0.62 -1.83 0.00 0.00 0.00 175.02 174.26 1sfn s GLU 1187N -0.33 3.67 0.24 2.03 -1.05 -1.26 -4.44 118.70 117.55 1sfn s GLU 1187Ca 0.51 0.13 0.10 0.00 -0.15 0.00 0.00 54.97 55.56 1sfn s GLU 1187Cb -0.31 -2.56 -0.04 0.00 -0.44 0.00 0.00 34.13 30.77 1sfn s GLU 1187CO 0.36 0.13 -0.11 -1.01 0.95 0.00 0.00 175.26 175.57 1sfn s HIS 1188N -2.20 2.51 -0.07 4.83 3.76 0.68 -4.06 115.29 120.76 1sfn s HIS 1188Ca 0.46 -0.27 -0.03 0.00 -0.15 0.00 0.00 55.06 55.07 1sfn s HIS 1188Cb -0.11 -1.15 0.04 0.00 1.11 0.00 0.00 32.58 32.47 1sfn s HIS 1188CO 0.31 0.61 0.11 0.20 -0.85 0.00 0.00 174.74 175.12 1sfn s GLY 1189N -3.30 0.13 0.07 -2.22 0.00 -1.02 -2.12 107.32 98.86 1sfn s GLY 1189Ca 0.28 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.39 1sfn s GLY 1189CO 0.16 1.55 -0.07 0.48 0.00 0.00 0.00 173.10 175.22 1sfn s LEU 1190N 2.23 2.40 -0.07 0.66 0.05 -0.38 -0.83 118.68 122.74 1sfn s LEU 1190Ca 0.04 -0.81 0.02 0.00 0.05 0.00 0.00 54.13 53.43 1sfn s LEU 1190Cb -0.12 -0.10 0.02 0.00 -2.05 0.00 0.00 46.19 43.94 1sfn s LEU 1190CO -0.05 -0.36 -0.11 -0.22 -0.55 0.00 0.00 176.35 175.07 1sfn s LEU 1191N -2.41 1.55 -0.25 1.48 2.96 -0.80 -1.10 118.68 120.11 1sfn s LEU 1191Ca 0.02 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 1sfn s LEU 1191Cb -0.01 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.89 1sfn s LEU 1191CO -0.03 0.00 1.08 -0.04 -1.32 0.00 0.00 176.35 176.04 1sfn s MET 1192N 0.85 4.19 -0.21 1.98 -1.94 0.83 -1.18 119.30 123.82 1sfn s MET 1192Ca -0.11 1.30 -0.20 0.00 -1.71 0.00 0.00 55.69 54.97 1sfn s MET 1192Cb -0.15 -3.68 -0.19 0.00 2.01 0.00 0.00 34.83 32.82 1sfn s MET 1192CO 0.02 -0.73 0.16 1.28 -0.01 0.00 0.00 175.02 175.74 1sfn n LEU 1193N 6.54 1.91 -4.01 -0.03 4.77 0.11 0.19 117.00 126.47 1sfn n LEU 1193Ca 0.12 0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 56.39 1sfn n LEU 1193Cb 0.46 -0.96 -0.12 0.00 -2.33 0.00 0.00 43.42 40.48 1sfn n LEU 1193CO 0.55 0.33 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.95 1sfn s GLU 1194N -2.39 0.40 1.32 3.23 2.02 -0.21 -4.66 118.70 118.42 1sfn s GLU 1194Ca -0.30 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1sfn s GLU 1194Cb 0.07 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.18 1sfn s GLU 1194CO 0.59 0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.29 1sfn n GLY 1195N 1.69 -1.83 3.67 -1.39 0.00 -1.24 -0.68 105.19 105.40 1sfn n GLY 1195Ca -0.22 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 1sfn n GLY 1195CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sfn s GLU 1196N 0.00 1.58 0.00 1.61 -1.05 -1.26 -1.50 118.70 118.07 1sfn s GLU 1196Ca 0.00 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1sfn s GLU 1196Cb 0.00 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1sfn s GLU 1196CO 0.00 -0.69 0.00 0.41 0.95 0.00 0.00 175.26 175.93 1sfn n GLY 1197N -0.40 -0.77 3.30 -3.83 0.00 -0.53 -1.05 105.19 101.91 1sfn n GLY 1197Ca -0.07 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 1sfn n GLY 1197CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sfn s LEU 1198N 0.00 2.58 -0.20 0.99 1.43 -0.79 -0.91 118.68 121.77 1sfn s LEU 1198Ca 0.00 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1sfn s LEU 1198Cb 0.00 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1sfn s LEU 1198CO 0.00 0.11 -0.00 -0.47 0.23 0.00 0.00 176.35 176.21 1sfn s TYR 1199N 0.68 3.03 -0.14 0.29 5.04 0.39 -2.02 117.35 124.61 1sfn s TYR 1199Ca -0.07 -0.52 -0.13 0.00 -2.44 0.00 0.00 57.07 53.91 1sfn s TYR 1199Cb -0.16 -2.09 -0.05 0.00 0.35 0.00 0.00 41.96 40.02 1sfn s TYR 1199CO 0.02 -0.29 0.27 0.21 -1.34 0.00 0.00 175.55 174.43 1sfn s LYS 1200N 1.08 4.12 -0.05 4.97 2.20 0.11 0.02 119.74 132.18 1sfn s LYS 1200Ca 0.02 0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 55.69 1sfn s LYS 1200Cb -0.14 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1sfn s LYS 1200CO 0.01 0.36 0.03 -0.51 -0.36 0.00 0.00 175.35 174.88 1sfn s LEU 1201N 0.12 0.42 0.00 5.43 1.43 -0.17 -0.85 118.68 125.05 1sfn s LEU 1201Ca 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1sfn s LEU 1201Cb -0.13 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1sfn s LEU 1201CO 0.04 -0.21 0.00 -0.62 0.23 0.00 0.00 176.35 175.79 1sfn n GLU 1202N 5.13 0.00 0.01 1.70 1.02 -0.45 -1.93 120.64 126.13 1sfn n GLU 1202Ca -0.07 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1sfn n GLU 1202Cb 0.50 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.21 1sfn n GLU 1202CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sfn n GLU 1203N 14.00 0.05 -4.08 3.49 4.71 -1.26 -4.93 120.64 132.62 1sfn n GLU 1203Ca 0.00 0.01 -0.29 0.00 -0.01 0.00 0.00 57.16 56.87 1sfn n GLU 1203Cb 0.00 -1.53 -0.07 0.00 -1.01 0.00 0.00 31.44 28.83 1sfn n GLU 1203CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1sfn s ASN 1204N -3.20 5.39 -0.09 1.62 0.01 -0.81 -5.12 114.94 112.74 1sfn s ASN 1204Ca 0.11 -0.09 -0.02 0.00 -0.71 0.00 0.00 52.86 52.14 1sfn s ASN 1204Cb 0.17 -1.39 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 1sfn s ASN 1204CO 0.68 0.14 -0.01 -0.31 -1.51 0.00 0.00 177.10 176.09 1sfn s TYR 1205N -1.49 3.13 -0.07 2.20 1.51 -1.26 -1.00 117.35 120.37 1sfn s TYR 1205Ca 0.29 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.49 1sfn s TYR 1205Cb -0.11 -1.81 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1sfn s TYR 1205CO 0.21 0.39 -0.14 0.71 -1.11 0.00 0.00 175.55 175.62 1sfn s TYR 1206N -0.70 1.57 0.00 2.71 1.51 0.10 -4.91 117.35 117.63 1sfn s TYR 1206Ca 0.11 -0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1sfn s TYR 1206Cb -0.12 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1sfn s TYR 1206CO 0.02 -0.28 1.04 -1.25 -1.11 0.00 0.00 175.55 173.97 1sfn s PRO 1207N 0.58 4.51 0.08 -1.71 0.04 -1.26 -0.46 135.00 136.78 1sfn s PRO 1207Ca -0.14 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.43 1sfn s PRO 1207Cb -0.16 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 1sfn s PRO 1207CO 0.04 -0.14 -0.09 0.14 0.04 0.00 0.00 177.00 177.00 1sfn s VAL 1208N 1.17 0.76 0.24 -0.36 -7.23 -0.09 -4.95 120.40 109.93 1sfn s VAL 1208Ca 0.53 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1sfn s VAL 1208Cb -0.23 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1sfn s VAL 1208CO 0.27 -0.57 0.15 0.42 -0.31 0.00 0.00 175.10 175.06 1sfn s THR 1209N -2.37 0.09 0.14 5.32 -4.23 -1.26 -1.46 115.64 111.88 1sfn s THR 1209Ca 0.02 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.18 1sfn s THR 1209Cb -0.03 -2.52 -0.15 0.00 1.34 0.00 0.00 72.50 71.14 1sfn s THR 1209CO -0.01 0.00 1.44 0.00 -0.54 0.00 0.00 174.62 175.51 1sfn n ALA 1210N -0.37 0.28 0.00 3.99 0.00 -0.56 -1.50 120.51 122.34 1sfn n ALA 1210Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1sfn n ALA 1210Cb 0.65 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1sfn n ALA 1210CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfn n GLY 1211N 2.83 1.85 3.80 0.00 0.00 0.13 -4.97 105.19 108.83 1sfn n GLY 1211Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1sfn n GLY 1211CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sfn s ASP 1212N -0.82 6.35 0.05 1.61 1.01 -0.56 -4.54 116.67 119.76 1sfn s ASP 1212Ca 0.00 1.87 0.08 0.00 0.71 0.00 0.00 52.55 55.22 1sfn s ASP 1212Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1sfn s ASP 1212CO 0.00 -0.78 -0.22 -0.63 0.21 0.00 0.00 175.17 173.76 1sfn s ILE 1213N -2.09 2.51 -0.04 0.77 1.09 0.34 -0.12 121.20 123.66 1sfn s ILE 1213Ca 0.66 -1.31 0.01 0.00 -1.10 0.00 0.00 60.65 58.91 1sfn s ILE 1213Cb -0.15 -2.03 0.02 0.00 -1.06 0.00 0.00 42.46 39.23 1sfn s ILE 1213CO 0.22 0.32 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.71 1sfn s ILE 1214N -0.90 0.51 -0.21 2.92 1.01 -0.26 0.05 121.20 124.32 1sfn s ILE 1214Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1sfn s ILE 1214Cb -0.10 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 1sfn s ILE 1214CO 0.04 0.21 0.05 0.86 0.00 0.00 0.00 174.94 176.10 1sfn s TRP 1215N 0.77 3.13 -0.28 3.97 -0.00 0.58 -1.25 118.94 125.87 1sfn s TRP 1215Ca -0.10 -0.23 0.01 0.00 -0.00 0.00 0.00 56.10 55.78 1sfn s TRP 1215Cb -0.13 -2.15 0.06 0.00 -0.00 0.00 0.00 33.47 31.25 1sfn s TRP 1215CO 0.00 -0.14 -0.07 -1.64 -0.00 0.00 0.00 176.95 175.11 1sfn s MET 1216N 1.02 2.28 1.00 5.86 -1.94 -0.90 -0.90 119.30 125.72 1sfn s MET 1216Ca 0.04 -1.34 -0.12 0.00 -1.71 0.00 0.00 55.69 52.56 1sfn s MET 1216Cb -0.14 -3.00 0.19 0.00 2.01 0.00 0.00 34.83 33.89 1sfn s MET 1216CO 0.03 -0.60 1.08 0.20 -0.01 0.00 0.00 175.02 175.72 1sfn s GLY 1217N 1.15 1.61 0.30 -0.03 0.00 0.19 -0.23 107.32 110.31 1sfn s GLY 1217Ca -0.07 0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.44 1sfn s GLY 1217CO -0.04 0.64 1.53 0.00 0.00 0.00 0.00 173.10 175.23 1sfn n ALA 1218N -4.38 2.17 -1.31 3.20 0.00 -1.26 -1.96 120.51 116.97 1sfn n ALA 1218Ca 0.07 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.78 1sfn n ALA 1218Cb 0.54 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 1sfn n ALA 1218CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sfn n HIS 1219N 1.75 0.00 -2.65 0.00 8.25 0.13 -4.96 115.22 117.75 1sfn n HIS 1219Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 1sfn n HIS 1219Cb 0.36 -2.17 -0.02 0.00 1.12 0.00 0.00 29.99 29.28 1sfn n HIS 1219CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sfn n PRO 1221N 7.07 1.96 -3.77 0.00 -0.02 -1.25 -4.64 135.00 134.34 1sfn n PRO 1221Ca 0.11 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1sfn n PRO 1221Cb 0.48 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 1sfn n PRO 1221CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1sfn s GLN 1222N 0.39 0.18 0.07 -0.52 -2.07 -0.74 -1.33 119.66 115.63 1sfn s GLN 1222Ca 0.76 0.35 -0.10 0.00 -1.82 0.00 0.00 55.36 54.55 1sfn s GLN 1222Cb -0.71 -0.02 0.00 0.00 -1.09 0.00 0.00 33.01 31.19 1sfn s GLN 1222CO 0.43 -0.09 0.21 -0.46 -1.32 0.00 0.00 175.29 174.06 1sfn s TRP 1223N 0.65 0.08 -0.04 9.60 -0.00 -0.03 -1.12 118.94 128.08 1sfn s TRP 1223Ca -0.05 -0.40 -0.09 0.00 -0.00 0.00 0.00 56.10 55.56 1sfn s TRP 1223Cb -0.06 -0.02 0.02 0.00 -0.00 0.00 0.00 33.47 33.40 1sfn s TRP 1223CO -0.03 -0.50 0.22 -0.47 -0.00 0.00 0.00 176.95 176.17 1sfn s TYR 1224N -3.25 -0.15 -0.05 5.86 6.14 -1.26 0.06 117.35 124.70 1sfn s TYR 1224Ca 0.00 0.31 0.01 0.00 0.64 0.00 0.00 57.07 58.04 1sfn s TYR 1224Cb 0.02 0.05 0.02 0.00 0.42 0.00 0.00 41.96 42.47 1sfn s TYR 1224CO -0.08 -0.24 -0.06 0.20 0.64 0.00 0.00 175.55 176.02 1sfn s GLY 1225N -0.68 0.50 -0.12 8.97 0.00 -0.86 -2.01 107.32 113.12 1sfn s GLY 1225Ca -0.08 -0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.37 1sfn s GLY 1225CO 0.02 0.35 0.42 0.00 0.00 0.00 0.00 173.10 173.89 1sfn s ALA 1226N 0.82 3.52 0.45 3.20 0.00 -0.48 -1.89 121.76 127.39 1sfn s ALA 1226Ca -0.12 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1sfn s ALA 1226Cb -0.14 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 1sfn s ALA 1226CO 0.01 0.06 0.08 -0.51 0.00 0.00 0.00 175.76 175.40 1sfn s LEU 1227N 0.46 2.76 0.00 0.00 1.43 -0.21 0.37 118.68 123.48 1sfn s LEU 1227Ca 0.23 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 1sfn s LEU 1227Cb -0.15 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1sfn s LEU 1227CO 0.09 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1sfn n GLY 1228N -1.17 -2.15 0.05 -3.19 0.00 -1.26 -4.25 105.19 93.21 1sfn n GLY 1228Ca -0.08 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1sfn n GLY 1228CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfn n ARG 1229N -0.10 0.44 -3.76 1.61 1.74 -1.26 -4.71 116.66 110.62 1sfn n ARG 1229Ca 0.00 -0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.85 1sfn n ARG 1229Cb 0.00 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.79 1sfn n ARG 1229CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sfn s ASN 1230N -4.38 6.28 0.37 0.55 0.01 -1.26 -4.85 114.94 111.66 1sfn s ASN 1230Ca 0.00 0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 52.06 1sfn s ASN 1230Cb 0.13 -1.86 -0.09 0.00 0.41 0.00 0.00 41.25 39.84 1sfn s ASN 1230CO 0.82 -0.17 1.05 0.26 -1.51 0.00 0.00 177.10 177.55 1sfn s TRP 1231N -2.10 3.37 0.14 2.20 0.52 -1.26 -4.30 118.94 117.51 1sfn s TRP 1231Ca 0.37 1.67 -0.08 0.00 0.02 0.00 0.00 56.10 58.08 1sfn s TRP 1231Cb -0.09 -3.13 -0.06 0.00 -1.15 0.00 0.00 33.47 29.04 1sfn s TRP 1231CO 0.31 -0.52 0.42 -1.12 0.02 0.00 0.00 176.95 176.06 1sfn s SER 1232N -1.46 6.57 -0.12 2.95 0.01 0.82 -3.71 113.70 118.76 1sfn s SER 1232Ca 0.55 0.73 -0.06 0.00 1.31 0.00 0.00 55.95 58.47 1sfn s SER 1232Cb -0.23 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 63.90 1sfn s SER 1232CO 0.29 0.07 0.29 -0.75 0.41 0.00 0.00 173.24 173.56 1sfn s LYS 1233N -2.41 0.26 0.01 12.44 2.20 0.15 -0.24 119.74 132.15 1sfn s LYS 1233Ca 0.39 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.62 1sfn s LYS 1233Cb -0.13 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.09 1sfn s LYS 1233CO 0.22 -0.16 -0.05 1.52 -0.36 0.00 0.00 175.35 176.52 1sfn s TYR 1234N 1.31 0.41 0.07 4.03 -0.85 -0.77 0.07 117.35 121.62 1sfn s TYR 1234Ca -0.09 -0.26 -0.22 0.00 -0.52 0.00 0.00 57.07 55.97 1sfn s TYR 1234Cb -0.10 -0.26 -0.06 0.00 0.38 0.00 0.00 41.96 41.92 1sfn s TYR 1234CO -0.10 -0.06 0.67 -1.17 -1.52 0.00 0.00 175.55 173.38 1sfn s LEU 1235N -0.73 4.50 -0.02 -3.49 0.20 -0.32 -1.55 118.68 117.27 1sfn s LEU 1235Ca -0.05 1.37 0.01 0.00 0.69 0.00 0.00 54.13 56.16 1sfn s LEU 1235Cb -0.05 -3.07 0.01 0.00 -0.43 0.00 0.00 46.19 42.65 1sfn s LEU 1235CO -0.00 0.16 -0.04 -0.22 -0.29 0.00 0.00 176.35 175.96 1sfn s LEU 1236N -0.66 1.59 0.06 -0.68 2.96 0.20 -1.90 118.68 120.25 1sfn s LEU 1236Ca 0.33 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 1sfn s LEU 1236Cb -0.20 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 1sfn s LEU 1236CO 0.21 -0.01 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.68 1sfn s TYR 1237N 0.48 2.81 -0.29 5.38 6.14 -0.01 -0.77 117.35 131.08 1sfn s TYR 1237Ca -0.06 -0.10 -0.13 0.00 0.64 0.00 0.00 57.07 57.42 1sfn s TYR 1237Cb -0.09 -1.52 0.13 0.00 0.42 0.00 0.00 41.96 40.90 1sfn s TYR 1237CO -0.00 0.40 0.77 -1.59 0.64 0.00 0.00 175.55 175.76 1sfn s LYS 1238N -1.84 0.53 0.72 4.97 -2.85 -0.80 -2.44 119.74 118.02 1sfn s LYS 1238Ca 0.20 1.17 -0.16 0.00 -1.00 0.00 0.00 55.97 56.17 1sfn s LYS 1238Cb -0.11 0.53 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1sfn s LYS 1238CO 0.11 -0.15 0.99 -0.40 0.10 0.00 0.00 175.35 176.00 1sfn n ASP 1239N 4.90 0.60 -3.77 0.03 3.85 -1.26 -1.74 116.55 119.16 1sfn n ASP 1239Ca -0.14 0.68 -0.09 0.00 -0.71 0.00 0.00 54.79 54.52 1sfn n ASP 1239Cb 0.53 -1.42 -0.04 0.00 -1.35 0.00 0.00 41.12 38.84 1sfn n ASP 1239CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1sfn s MET 1240N -3.35 1.44 -1.54 0.11 -1.94 -0.10 -4.78 119.30 109.14 1sfn s MET 1240Ca 0.74 -0.91 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 1sfn s MET 1240Cb -0.35 0.53 0.00 0.00 2.01 0.00 0.00 34.83 37.02 1sfn s MET 1240CO 0.50 -0.62 0.00 0.09 -0.01 0.00 0.00 175.02 174.98 1sfn n ASN 1241N -0.36 -4.13 -4.13 3.03 3.02 -1.26 -4.38 115.26 107.04 1sfn n ASN 1241Ca -0.09 0.32 -0.23 0.00 -0.03 0.00 0.00 54.58 54.55 1sfn n ASN 1241Cb 0.62 -3.71 -0.15 0.00 -0.61 0.00 0.00 39.78 35.93 1sfn n ASN 1241CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sfn s ARG 1242N -3.70 1.25 0.20 3.52 1.81 -1.26 -5.00 118.95 115.77 1sfn s ARG 1242Ca 0.00 -0.56 -0.31 0.00 -1.72 0.00 0.00 55.73 53.13 1sfn s ARG 1242Cb 0.00 -1.21 -0.11 0.00 -0.45 0.00 0.00 34.95 33.18 1sfn s ARG 1242CO 0.00 0.33 1.61 -1.58 -0.68 0.00 0.00 175.30 174.98 1sfn s HIS 1243N -0.38 2.98 -1.91 -0.53 2.46 -1.26 -4.85 115.29 111.79 1sfn s HIS 1243Ca 0.06 0.59 0.00 0.00 0.47 0.00 0.00 55.06 56.17 1sfn s HIS 1243Cb -0.06 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.39 1sfn s HIS 1243CO -0.01 -3.66 0.39 -2.30 -2.47 0.00 0.00 174.74 166.69 1sfn n PRO 1244N 3.65 0.00 0.00 2.88 -0.02 -1.26 -5.23 135.00 135.02 1sfn n PRO 1244Ca 0.13 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.63 1sfn n PRO 1244Cb 0.37 -1.40 0.02 0.00 -0.02 0.00 0.00 33.50 32.47 1sfn n PRO 1244CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76