#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ftf s ILE 1004N 0.00 4.38 -0.04 1.12 1.01 -1.26 0.16 121.20 126.57 1ftf s ILE 1004Ca 0.00 2.01 0.05 0.00 0.00 0.00 0.00 60.65 62.71 1ftf s ILE 1004Cb 0.00 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 38.26 1ftf s ILE 1004CO 0.00 0.39 0.93 1.33 0.00 0.00 0.00 174.94 177.59 1ftf n VAL 1005N 2.29 0.84 0.00 2.92 0.24 -0.25 -4.92 118.33 119.46 1ftf n VAL 1005Ca -0.00 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 1ftf n VAL 1005Cb 0.49 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1ftf n VAL 1005CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ftf n GLY 1006N -0.55 2.77 3.29 7.63 0.00 -1.24 -4.89 105.19 112.20 1ftf n GLY 1006Ca 0.04 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1ftf n GLY 1006CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ftf s HIS 1007N -2.00 -0.57 -0.01 1.61 5.04 -1.23 -0.80 115.29 117.32 1ftf s HIS 1007Ca 0.00 1.27 -0.10 0.00 -1.54 0.00 0.00 55.06 54.69 1ftf s HIS 1007Cb 0.00 0.24 0.01 0.00 0.04 0.00 0.00 32.58 32.87 1ftf s HIS 1007CO 0.00 -0.31 0.20 0.20 -2.34 0.00 0.00 174.74 172.49 1ftf s GLY 1008N 1.06 -0.04 0.25 1.59 0.00 -0.21 -3.92 107.32 106.04 1ftf s GLY 1008Ca -0.07 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.74 1ftf s GLY 1008CO -0.09 -0.09 0.09 -0.26 0.00 0.00 0.00 173.10 172.76 1ftf s ILE 1009N -1.27 0.51 -0.23 0.90 -4.36 -1.26 0.03 121.20 115.52 1ftf s ILE 1009Ca -0.13 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 57.99 1ftf s ILE 1009Cb -0.06 -2.60 0.10 0.00 1.25 0.00 0.00 42.46 41.15 1ftf s ILE 1009CO 0.02 -0.03 0.86 -0.62 0.24 0.00 0.00 174.94 175.42 1ftf s ASP 1010N -3.29 -0.58 -0.03 4.36 -1.08 -0.34 -4.48 116.67 111.23 1ftf s ASP 1010Ca 0.37 1.02 0.03 0.00 -0.52 0.00 0.00 52.55 53.45 1ftf s ASP 1010Cb 0.08 1.00 0.00 0.00 -1.46 0.00 0.00 42.92 42.54 1ftf s ASP 1010CO 0.13 -0.27 -0.10 -0.51 0.52 0.00 0.00 175.17 174.93 1ftf s ILE 1011N -0.06 0.90 0.00 4.11 2.07 -1.26 -0.83 121.20 126.15 1ftf s ILE 1011Ca -0.01 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 58.84 1ftf s ILE 1011Cb -0.04 -0.81 -0.01 0.00 0.13 0.00 0.00 42.46 41.74 1ftf s ILE 1011CO -0.00 0.28 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.57 1ftf s GLU 1012N 0.28 0.34 -0.05 3.50 2.56 0.04 -5.00 118.70 120.38 1ftf s GLU 1012Ca -0.05 -0.25 -0.26 0.00 0.00 0.00 0.00 54.97 54.40 1ftf s GLU 1012Cb -0.10 -0.28 -0.03 0.00 2.00 0.00 0.00 34.13 35.72 1ftf s GLU 1012CO 0.01 0.07 0.83 -1.21 -0.56 0.00 0.00 175.26 174.41 1ftf s GLU 1013N -0.38 4.48 0.45 4.30 2.02 -1.26 -0.92 118.70 127.39 1ftf s GLU 1013Ca -0.01 1.13 0.13 0.00 0.02 0.00 0.00 54.97 56.23 1ftf s GLU 1013Cb -0.03 -3.46 1.00 0.00 0.10 0.00 0.00 34.13 31.73 1ftf s GLU 1013CO -0.00 -0.02 2.02 -0.07 0.02 0.00 0.00 175.26 177.21 1ftf h LEU 1014N 6.93 0.12 -0.76 1.80 3.38 -1.63 -2.58 115.31 122.56 1ftf h LEU 1014Ca -0.40 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.63 1ftf h LEU 1014Cb 1.20 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 1ftf h LEU 1014CO 0.76 0.21 0.43 0.00 0.09 0.00 0.00 178.44 179.93 1ftf h ALA 1015N 1.81 1.04 -0.72 1.53 0.00 -1.92 0.36 119.26 121.36 1ftf h ALA 1015Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ftf h ALA 1015Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ftf h ALA 1015CO 0.01 0.10 0.38 0.77 0.00 0.00 0.00 179.25 180.51 1ftf h SER 1016N 0.77 0.92 -0.34 0.00 0.02 -1.86 0.14 113.55 113.19 1ftf h SER 1016Ca 0.35 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 61.05 1ftf h SER 1016Cb 0.25 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1ftf h SER 1016CO -0.21 0.76 -0.32 0.40 -1.14 0.00 0.00 176.83 176.32 1ftf h ILE 1017N 1.00 1.29 -0.50 3.27 1.08 -1.21 -1.69 117.51 120.74 1ftf h ILE 1017Ca 0.25 -1.49 -0.08 0.00 -0.39 0.00 0.00 64.86 63.15 1ftf h ILE 1017Cb 0.06 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 1ftf h ILE 1017CO -0.04 0.49 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.82 1ftf h GLU 1018N 0.61 0.85 -0.49 2.37 4.81 -0.03 -1.31 114.58 121.39 1ftf h GLU 1018Ca 0.06 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1ftf h GLU 1018Cb 0.90 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1ftf h GLU 1018CO 0.08 0.86 0.17 0.77 -0.73 0.00 0.00 179.01 180.16 1ftf h SER 1019N 0.79 0.71 -0.79 1.04 0.02 -0.64 -0.52 113.55 114.15 1ftf h SER 1019Ca 0.15 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1ftf h SER 1019Cb 0.49 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1ftf h SER 1019CO 0.02 0.71 0.51 0.00 -1.14 0.00 0.00 176.83 176.93 1ftf h ALA 1020N 1.02 1.01 -0.22 3.77 0.00 -0.94 -1.19 119.26 122.71 1ftf h ALA 1020Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ftf h ALA 1020Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ftf h ALA 1020CO -0.01 0.44 -0.05 0.28 0.00 0.00 0.00 179.25 179.91 1ftf h VAL 1021N 1.08 1.29 -0.34 0.00 2.07 -1.01 -3.01 116.25 116.32 1ftf h VAL 1021Ca 0.29 -1.05 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1ftf h VAL 1021Cb -0.09 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1ftf h VAL 1021CO -0.06 0.32 0.23 0.74 0.02 0.00 0.00 177.57 178.82 1ftf h THR 1022N 0.15 1.03 0.00 2.57 2.02 -0.78 -3.34 112.91 114.55 1ftf h THR 1022Ca 0.06 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1ftf h THR 1022Cb 0.51 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1ftf h THR 1022CO 0.02 0.07 0.00 0.54 0.37 0.00 0.00 175.52 176.52 1ftf n ARG 1023N -4.49 0.00 -4.12 6.66 1.74 -0.48 -4.89 116.66 111.09 1ftf n ARG 1023Ca 0.03 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 1ftf n ARG 1023Cb 0.14 -0.45 -0.10 0.00 -1.02 0.00 0.00 32.46 31.03 1ftf n ARG 1023CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1ftf s HIS 1024N -0.19 3.19 0.39 -1.55 -3.43 -1.15 -4.98 115.29 107.57 1ftf s HIS 1024Ca 0.00 -0.01 0.33 0.00 -0.80 0.00 0.00 55.06 54.58 1ftf s HIS 1024Cb 0.00 -2.04 1.67 0.00 -1.43 0.00 0.00 32.58 30.79 1ftf s HIS 1024CO 0.00 0.12 2.12 1.49 -2.00 0.00 0.00 174.74 176.48 1ftf h GLU 1025N 6.62 0.00 0.00 -0.38 4.81 -1.85 -2.79 114.58 120.99 1ftf h GLU 1025Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1ftf h GLU 1025Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ftf h GLU 1025CO 0.68 0.06 0.00 0.41 -0.73 0.00 0.00 179.01 179.43 1ftf n GLY 1026N -0.59 -0.92 0.27 1.92 0.00 -1.26 -3.94 105.19 100.68 1ftf n GLY 1026Ca -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1ftf n GLY 1026CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ftf h PHE 1027N 0.00 -0.63 -0.83 1.61 3.57 -1.79 -1.74 116.94 117.13 1ftf h PHE 1027Ca 0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.65 1ftf h PHE 1027Cb 0.21 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.06 1ftf h PHE 1027CO 0.00 -0.39 0.37 0.00 -2.23 0.00 0.00 178.31 176.05 1ftf h ALA 1028N -1.62 1.25 -0.85 2.41 0.00 -1.83 0.61 119.26 119.23 1ftf h ALA 1028Ca -0.07 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ftf h ALA 1028Cb 0.52 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1ftf h ALA 1028CO 0.11 -0.22 0.55 -0.22 0.00 0.00 0.00 179.25 179.48 1ftf h LYS 1029N 0.48 0.95 -0.20 0.00 3.11 -1.71 0.17 116.57 119.38 1ftf h LYS 1029Ca 0.48 -0.06 -0.19 0.00 -2.81 0.00 0.00 60.65 58.07 1ftf h LYS 1029Cb 0.78 -0.22 0.01 0.00 -1.00 0.00 0.00 32.23 31.80 1ftf h LYS 1029CO -0.43 0.63 -0.63 0.00 -2.81 0.00 0.00 179.45 176.21 1ftf h ARG 1030N 0.98 0.78 0.00 1.90 3.08 0.04 -3.33 114.38 117.83 1ftf h ARG 1030Ca 0.35 -0.57 -0.23 0.00 0.07 0.00 0.00 59.98 59.61 1ftf h ARG 1030Cb 0.15 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ftf h ARG 1030CO -0.12 1.19 -0.94 0.28 -1.07 0.00 0.00 179.97 179.30 1ftf h VAL 1031N 0.52 1.41 -3.24 2.04 2.07 -0.80 -3.39 116.25 114.84 1ftf h VAL 1031Ca -0.02 -2.47 -0.65 0.00 0.82 0.00 0.00 66.70 64.38 1ftf h VAL 1031Cb 1.25 2.43 -0.11 0.00 -1.52 0.00 0.00 31.29 33.34 1ftf h VAL 1031CO 0.13 0.74 -0.62 -0.76 0.02 0.00 0.00 177.57 177.08 1ftf s LEU 1032N -7.70 3.68 1.08 2.57 1.43 0.56 -4.61 118.68 115.70 1ftf s LEU 1032Ca -0.06 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 1ftf s LEU 1032Cb 0.09 -2.28 0.25 0.00 0.03 0.00 0.00 46.19 44.27 1ftf s LEU 1032CO 0.87 0.21 1.26 0.42 0.23 0.00 0.00 176.35 179.34 1ftf s THR 1033N -1.27 1.83 0.14 5.49 -4.23 -1.26 -4.75 115.64 111.58 1ftf s THR 1033Ca 0.25 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.60 1ftf s THR 1033Cb -0.12 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1ftf s THR 1033CO 0.17 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.99 1ftf h ALA 1034N -2.08 0.51 -0.46 3.99 0.00 -1.99 -0.44 119.26 118.78 1ftf h ALA 1034Ca -0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ftf h ALA 1034Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ftf h ALA 1034CO 0.33 0.04 0.29 -0.07 0.00 0.00 0.00 179.25 179.84 1ftf h LEU 1035N 0.50 0.54 -1.02 0.00 3.38 -2.01 -1.95 115.31 114.76 1ftf h LEU 1035Ca 0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1ftf h LEU 1035Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1ftf h LEU 1035CO -0.02 0.42 0.29 -0.33 0.09 0.00 0.00 178.44 178.89 1ftf h GLU 1036N 0.62 0.99 -0.34 1.13 5.08 -1.86 -2.08 114.58 118.12 1ftf h GLU 1036Ca 0.17 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1ftf h GLU 1036Cb -0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1ftf h GLU 1036CO -0.03 0.79 0.12 0.52 -1.00 0.00 0.00 179.01 179.41 1ftf h MET 1037N 0.97 0.47 -0.28 2.33 2.86 -0.52 -0.73 114.93 120.04 1ftf h MET 1037Ca 0.23 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1ftf h MET 1037Cb 0.16 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1ftf h MET 1037CO -0.02 0.41 0.08 0.93 1.06 0.00 0.00 176.91 179.37 1ftf h GLU 1038N 0.47 0.19 -0.18 1.72 5.08 -0.64 0.42 114.58 121.65 1ftf h GLU 1038Ca 0.12 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 1ftf h GLU 1038Cb 0.12 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ftf h GLU 1038CO -0.01 0.13 -0.42 -0.09 -1.00 0.00 0.00 179.01 177.61 1ftf h ARG 1039N 0.20 0.60 -0.53 2.33 2.43 -1.41 -2.92 114.38 115.07 1ftf h ARG 1039Ca 0.13 -0.41 0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1ftf h ARG 1039Cb 0.11 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.63 1ftf h ARG 1039CO -0.14 1.03 0.01 0.35 -1.51 0.00 0.00 179.97 179.71 1ftf h PHE 1040N 0.27 -0.02 0.00 2.20 3.57 -0.80 -0.77 116.94 121.40 1ftf h PHE 1040Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ftf h PHE 1040Cb 1.03 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1ftf h PHE 1040CO 0.09 -0.12 0.00 0.25 -2.23 0.00 0.00 178.31 176.30 1ftf n THR 1041N -5.24 0.66 0.97 4.41 -2.24 0.11 -2.75 114.28 110.19 1ftf n THR 1041Ca 0.07 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 1ftf n THR 1041Cb 0.29 -0.86 0.31 0.00 -2.10 0.00 0.00 70.33 67.97 1ftf n THR 1041CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ftf n SER 1042N -1.96 0.43 -4.97 3.42 7.64 -0.32 -4.93 113.62 112.93 1ftf n SER 1042Ca 0.04 -0.08 -0.21 0.00 1.01 0.00 0.00 58.87 59.63 1ftf n SER 1042Cb 0.29 0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1ftf n SER 1042CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ftf s LEU 1043N -3.10 3.62 0.15 -3.43 1.43 -1.07 -5.10 118.68 111.19 1ftf s LEU 1043Ca 0.11 0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1ftf s LEU 1043Cb 0.17 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1ftf s LEU 1043CO 0.67 -0.76 -0.18 -0.54 0.23 0.00 0.00 176.35 175.77 1ftf s LYS 1044N -4.51 1.23 0.00 1.70 -0.14 -1.26 -4.70 119.74 112.06 1ftf s LYS 1044Ca 0.50 -1.36 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 1ftf s LYS 1044Cb -0.10 -1.29 0.00 0.00 -1.68 0.00 0.00 37.83 34.76 1ftf s LYS 1044CO 0.36 0.26 0.00 0.41 -0.76 0.00 0.00 175.35 175.63 1ftf n GLY 1045N 0.40 2.07 0.21 -3.33 0.00 -1.26 -1.93 105.19 101.35 1ftf n GLY 1045Ca -0.14 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1ftf n GLY 1045CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ftf h ARG 1046N 0.00 0.43 -0.94 1.61 3.08 -2.00 -2.42 114.38 114.14 1ftf h ARG 1046Ca 0.00 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.14 1ftf h ARG 1046Cb 0.00 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 29.87 1ftf h ARG 1046CO 0.00 0.29 0.57 0.00 -1.07 0.00 0.00 179.97 179.76 1ftf h ARG 1047N 0.45 0.89 -0.44 0.04 3.08 -1.80 0.12 114.38 116.71 1ftf h ARG 1047Ca 0.25 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1ftf h ARG 1047Cb 0.23 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1ftf h ARG 1047CO -0.22 0.59 0.21 0.37 -1.07 0.00 0.00 179.97 179.85 1ftf h GLN 1048N 0.92 0.64 -0.34 0.04 4.15 -1.02 0.07 115.11 119.56 1ftf h GLN 1048Ca 0.46 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.64 1ftf h GLN 1048Cb 0.45 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1ftf h GLN 1048CO -0.26 0.56 -0.38 0.82 -1.93 0.00 0.00 178.83 177.64 1ftf h ILE 1049N 0.58 1.28 -0.75 2.39 1.08 -1.26 -2.87 117.51 117.96 1ftf h ILE 1049Ca 0.15 -1.55 -0.03 0.00 -0.39 0.00 0.00 64.86 63.05 1ftf h ILE 1049Cb 0.13 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.26 1ftf h ILE 1049CO -0.02 0.51 0.35 -0.08 -0.69 0.00 0.00 178.15 178.22 1ftf h GLU 1050N 0.67 1.08 -0.22 2.37 4.57 -0.52 -0.10 114.58 122.43 1ftf h GLU 1050Ca 0.06 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1ftf h GLU 1050Cb 0.94 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1ftf h GLU 1050CO 0.09 0.84 0.11 -0.92 -1.18 0.00 0.00 179.01 177.94 1ftf h TYR 1051N 1.07 0.32 0.05 0.92 5.03 -0.84 -0.09 116.97 123.43 1ftf h TYR 1051Ca 0.26 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.55 1ftf h TYR 1051Cb 0.12 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.30 1ftf h TYR 1051CO 0.01 0.32 -0.02 1.25 -1.32 0.00 0.00 178.16 178.40 1ftf h LEU 1052N 0.23 -0.05 -0.79 2.82 5.85 -1.28 -2.25 115.31 119.83 1ftf h LEU 1052Ca 0.08 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.76 1ftf h LEU 1052Cb 0.12 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 1ftf h LEU 1052CO -0.01 0.12 0.41 0.00 -0.34 0.00 0.00 178.44 178.62 1ftf h ALA 1053N 0.72 1.14 -0.66 1.25 0.00 -0.93 -0.22 119.26 120.55 1ftf h ALA 1053Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ftf h ALA 1053Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ftf h ALA 1053CO 0.01 -0.04 0.26 0.78 0.00 0.00 0.00 179.25 180.26 1ftf h GLY 1054N 0.65 1.07 1.26 0.00 0.00 -0.84 0.02 103.07 105.23 1ftf h GLY 1054Ca 0.41 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1ftf h GLY 1054CO -0.30 0.56 -0.23 3.21 0.00 0.00 0.00 176.54 179.78 1ftf h ARG 1055N 0.94 0.85 0.23 4.80 -0.00 -0.74 0.14 114.38 120.60 1ftf h ARG 1055Ca 0.22 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.98 59.34 1ftf h ARG 1055Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.16 1ftf h ARG 1055CO -0.02 0.99 -0.11 2.35 0.00 0.00 0.00 179.97 183.18 1ftf h TRP 1056N 0.73 -0.29 -0.73 3.04 7.01 -0.77 -1.38 115.95 123.56 1ftf h TRP 1056Ca 0.10 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.12 1ftf h TRP 1056Cb 0.76 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.87 1ftf h TRP 1056CO 0.04 -0.15 0.46 1.03 -2.79 0.00 0.00 178.44 177.03 1ftf h SER 1057N -0.36 0.75 -0.54 2.65 0.87 -0.85 -0.66 113.55 115.41 1ftf h SER 1057Ca -0.03 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1ftf h SER 1057Cb 0.28 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1ftf h SER 1057CO 0.05 0.52 0.23 0.00 -0.53 0.00 0.00 176.83 177.10 1ftf h ALA 1058N 1.31 0.70 -0.25 6.23 0.00 -0.80 0.35 119.26 126.80 1ftf h ALA 1058Ca 0.29 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1ftf h ALA 1058Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ftf h ALA 1058CO -0.11 0.30 -0.40 0.87 0.00 0.00 0.00 179.25 179.91 1ftf h LYS 1059N 0.74 0.58 -0.43 0.00 1.57 -0.96 -0.45 116.57 117.62 1ftf h LYS 1059Ca 0.18 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1ftf h LYS 1059Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1ftf h LYS 1059CO -0.02 0.88 -0.02 1.49 -0.57 0.00 0.00 179.45 181.22 1ftf h GLU 1060N 0.48 0.78 -0.60 3.15 4.57 -0.90 -1.86 114.58 120.19 1ftf h GLU 1060Ca 0.04 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1ftf h GLU 1060Cb 0.90 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 1ftf h GLU 1060CO 0.08 0.86 0.20 0.00 -1.18 0.00 0.00 179.01 178.97 1ftf h ALA 1061N 0.89 0.79 -0.46 2.92 0.00 -0.69 -2.48 119.26 120.24 1ftf h ALA 1061Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ftf h ALA 1061Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ftf h ALA 1061CO 0.03 0.44 0.26 0.35 0.00 0.00 0.00 179.25 180.33 1ftf h PHE 1062N 0.85 0.61 -0.98 0.00 3.04 -0.92 -0.96 116.94 118.59 1ftf h PHE 1062Ca 0.20 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.19 1ftf h PHE 1062Cb 0.26 -0.20 -0.06 0.00 2.56 0.00 0.00 35.95 38.51 1ftf h PHE 1062CO 0.02 0.44 0.64 0.77 -2.02 0.00 0.00 178.31 178.16 1ftf h SER 1063N 0.60 1.03 0.59 0.41 0.02 -1.13 0.72 113.55 115.79 1ftf h SER 1063Ca 0.16 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1ftf h SER 1063Cb 0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1ftf h SER 1063CO -0.03 0.67 -0.43 0.11 -1.14 0.00 0.00 176.83 176.02 1ftf h LYS 1064N 1.17 0.00 -0.17 3.45 1.57 -1.04 -0.96 116.57 120.60 1ftf h LYS 1064Ca 0.41 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.10 1ftf h LYS 1064Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1ftf h LYS 1064CO -0.15 0.43 -0.31 0.00 -0.57 0.00 0.00 179.45 178.85 1ftf h ALA 1065N 1.57 1.15 -0.00 3.86 0.00 0.47 -1.39 119.26 124.92 1ftf h ALA 1065Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ftf h ALA 1065Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ftf h ALA 1065CO 0.06 0.55 -0.11 -1.33 0.00 0.00 0.00 179.25 178.41 1ftf n MET 1066N -4.09 0.18 -1.20 0.00 2.81 -0.47 -3.51 117.12 110.83 1ftf n MET 1066Ca -0.01 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1ftf n MET 1066Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1ftf n MET 1066CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ftf n GLY 1067N 1.43 0.77 0.10 3.03 0.00 -0.52 -5.06 105.19 104.94 1ftf n GLY 1067Ca 0.09 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ftf n GLY 1067CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ftf n THR 1068N -2.99 0.00 -3.98 2.61 5.66 -0.44 -5.00 114.28 110.14 1ftf n THR 1068Ca 0.00 -0.05 -0.26 0.00 -3.05 0.00 0.00 64.05 60.69 1ftf n THR 1068Cb 0.25 0.03 -0.04 0.00 -1.55 0.00 0.00 70.33 69.03 1ftf n THR 1068CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ftf s GLY 1069N -1.07 1.69 0.53 1.09 0.00 -1.26 -3.41 107.32 104.89 1ftf s GLY 1069Ca 0.01 -1.08 0.27 0.00 0.00 0.00 0.00 44.72 43.91 1ftf s GLY 1069CO 0.01 -1.09 2.10 1.19 0.00 0.00 0.00 173.10 175.31 1ftf h ILE 1070N 1.71 0.59 0.00 0.90 6.09 -1.90 -1.64 117.51 123.27 1ftf h ILE 1070Ca -0.48 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 1ftf h ILE 1070Cb 1.20 1.28 0.00 0.00 0.47 0.00 0.00 36.82 39.77 1ftf h ILE 1070CO 0.67 0.10 0.00 0.77 -3.07 0.00 0.00 178.15 176.62 1ftf h SER 1071N 0.00 0.00 0.10 2.19 4.64 -1.96 0.36 113.55 118.88 1ftf h SER 1071Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1ftf h SER 1071Cb 0.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 1ftf h SER 1071CO 0.01 0.00 -2.24 2.29 -0.87 0.00 0.00 176.83 176.02 1ftf n LYS 1072N -2.39 0.68 -0.06 4.77 -0.00 -0.62 -4.54 118.16 115.99 1ftf n LYS 1072Ca 0.01 0.14 -0.11 0.00 -0.00 0.00 0.00 58.31 58.35 1ftf n LYS 1072Cb 0.19 -1.60 -0.10 0.00 -0.00 0.00 0.00 35.03 33.52 1ftf n LYS 1072CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1ftf h LEU 1073N 0.01 -0.00 0.00 -5.58 -0.00 -1.41 -3.51 115.31 104.82 1ftf h LEU 1073Ca -0.50 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 56.62 1ftf h LEU 1073Cb 2.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.72 1ftf h LEU 1073CO 0.01 0.88 0.00 0.61 -0.00 0.00 0.00 178.44 179.93 1ftf n GLY 1074N 1.64 1.79 0.35 0.83 0.00 0.12 -4.62 105.19 105.29 1ftf n GLY 1074Ca -0.08 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.59 1ftf n GLY 1074CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ftf h PHE 1075N 0.00 0.81 0.00 1.61 -1.00 -1.84 -1.64 116.94 114.89 1ftf h PHE 1075Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1ftf h PHE 1075Cb 0.00 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.29 1ftf h PHE 1075CO 0.00 0.46 0.00 1.04 -1.61 0.00 0.00 178.31 178.20 1ftf n GLN 1076N -4.46 0.05 0.00 1.51 1.13 -1.26 -1.83 117.38 112.52 1ftf n GLN 1076Ca 0.09 0.28 0.13 0.00 -1.94 0.00 0.00 57.00 55.56 1ftf n GLN 1076Cb 0.15 -1.59 0.50 0.00 0.11 0.00 0.00 30.24 29.41 1ftf n GLN 1076CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1ftf n ASP 1077N -1.69 0.20 -4.31 1.08 -0.08 -0.61 -4.83 116.55 106.31 1ftf n ASP 1077Ca 0.03 0.16 -0.24 0.00 -1.51 0.00 0.00 54.79 53.24 1ftf n ASP 1077Cb 0.20 -0.22 -0.12 0.00 2.34 0.00 0.00 41.12 43.32 1ftf n ASP 1077CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1ftf s LEU 1078N -2.95 2.34 -0.11 -2.67 1.43 -0.76 -4.08 118.68 111.87 1ftf s LEU 1078Ca 0.14 -0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1ftf s LEU 1078Cb 0.19 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.55 1ftf s LEU 1078CO 0.58 0.05 0.27 -0.70 0.23 0.00 0.00 176.35 176.78 1ftf s GLU 1079N -2.14 0.25 -0.25 1.70 2.12 -0.45 -4.72 118.70 115.23 1ftf s GLU 1079Ca 0.09 0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.97 1ftf s GLU 1079Cb -0.09 -0.05 0.05 0.00 0.26 0.00 0.00 34.13 34.29 1ftf s GLU 1079CO 0.05 -0.14 -0.11 0.08 -0.54 0.00 0.00 175.26 174.60 1ftf s VAL 1080N 1.06 2.32 0.10 3.70 1.01 -1.26 -0.69 120.40 126.64 1ftf s VAL 1080Ca -0.07 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 60.52 1ftf s VAL 1080Cb -0.08 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1ftf s VAL 1080CO -0.07 0.11 0.05 0.18 0.00 0.00 0.00 175.10 175.37 1ftf n LEU 1081N 4.52 0.00 -4.28 3.92 4.77 -0.58 -4.85 117.00 120.50 1ftf n LEU 1081Ca -0.16 -0.54 -0.32 0.00 -0.03 0.00 0.00 56.01 54.96 1ftf n LEU 1081Cb 0.44 0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 1ftf n LEU 1081CO 0.23 -0.23 -0.52 0.20 -1.33 0.00 0.00 177.39 175.74 1ftf s ASN 1082N -1.55 3.44 1.08 -1.43 0.01 -1.26 -0.46 114.94 114.77 1ftf s ASN 1082Ca 0.04 -0.47 -0.13 0.00 -0.71 0.00 0.00 52.86 51.58 1ftf s ASN 1082Cb -0.00 -1.47 0.19 0.00 0.41 0.00 0.00 41.25 40.38 1ftf s ASN 1082CO 0.02 0.17 0.89 -0.46 -1.51 0.00 0.00 177.10 176.21 1ftf n ASN 1083N 3.50 -0.80 0.31 -1.22 2.04 0.31 -4.80 115.26 114.60 1ftf n ASN 1083Ca -0.19 -1.18 0.19 0.00 -0.44 0.00 0.00 54.58 52.96 1ftf n ASN 1083Cb 0.53 -0.74 1.00 0.00 -2.53 0.00 0.00 39.78 38.04 1ftf n ASN 1083CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1ftf h GLU 1084N 0.00 0.00 -0.23 -3.83 4.11 -2.00 0.14 114.58 112.77 1ftf h GLU 1084Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1ftf h GLU 1084Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1ftf h GLU 1084CO 0.21 0.02 0.00 0.54 0.07 0.00 0.00 179.01 179.85 1ftf n ARG 1085N -3.33 1.89 -0.88 1.06 5.12 -1.26 -4.93 116.66 114.32 1ftf n ARG 1085Ca -0.02 -1.34 0.00 0.00 -1.93 0.00 0.00 57.85 54.56 1ftf n ARG 1085Cb 0.14 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1ftf n ARG 1085CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ftf n GLY 1086N 1.19 0.96 3.81 -0.13 0.00 0.50 -5.04 105.19 106.49 1ftf n GLY 1086Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1ftf n GLY 1086CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ftf s ALA 1087N -3.77 3.46 0.43 4.61 0.00 -1.26 -4.65 121.76 120.57 1ftf s ALA 1087Ca 0.00 0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 1ftf s ALA 1087Cb 0.00 -2.79 -0.08 0.00 0.00 0.00 0.00 23.12 20.25 1ftf s ALA 1087CO 0.00 0.35 1.24 -1.25 0.00 0.00 0.00 175.76 176.10 1ftf s PRO 1088N -1.70 3.88 0.09 0.00 0.04 -1.26 -0.53 135.00 135.52 1ftf s PRO 1088Ca 0.39 2.00 -0.19 0.00 0.04 0.00 0.00 61.00 63.24 1ftf s PRO 1088Cb -0.18 -2.63 0.04 0.00 0.04 0.00 0.00 34.50 31.78 1ftf s PRO 1088CO 0.21 -0.52 0.47 1.52 0.04 0.00 0.00 177.00 178.72 1ftf s TYR 1089N -1.36 -0.33 -0.51 0.56 -0.85 0.39 -4.82 117.35 110.44 1ftf s TYR 1089Ca 0.59 0.20 -0.28 0.00 -0.52 0.00 0.00 57.07 57.07 1ftf s TYR 1089Cb -0.34 0.31 0.03 0.00 0.38 0.00 0.00 41.96 42.34 1ftf s TYR 1089CO 0.43 -0.67 1.11 -0.06 -1.52 0.00 0.00 175.55 174.84 1ftf s PHE 1090N -3.08 2.78 -0.18 -3.49 0.40 -1.26 -1.52 117.98 111.63 1ftf s PHE 1090Ca -0.02 0.55 0.17 0.00 -0.60 0.00 0.00 56.93 57.03 1ftf s PHE 1090Cb 0.00 -4.37 0.04 0.00 0.51 0.00 0.00 43.02 39.20 1ftf s PHE 1090CO -0.07 -1.33 1.28 0.66 0.70 0.00 0.00 175.22 176.47 1ftf h SER 1091N 9.29 0.00 -3.41 1.36 4.64 -1.25 -3.44 113.55 120.74 1ftf h SER 1091Ca -0.24 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.71 1ftf h SER 1091Cb 1.06 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.80 1ftf h SER 1091CO 1.13 0.43 -0.75 -1.10 -0.87 0.00 0.00 176.83 175.67 1ftf s GLN 1092N -3.01 0.34 -0.25 4.77 -1.52 -1.13 -4.95 119.66 113.91 1ftf s GLN 1092Ca 0.02 0.12 -0.27 0.00 -1.95 0.00 0.00 55.36 53.28 1ftf s GLN 1092Cb 0.08 -0.62 0.15 0.00 -0.22 0.00 0.00 33.01 32.40 1ftf s GLN 1092CO 0.76 -0.20 1.18 0.00 -0.25 0.00 0.00 175.29 176.78 1ftf s ALA 1093N 1.41 -2.05 -1.19 6.09 0.00 -1.26 -1.34 121.76 123.43 1ftf s ALA 1093Ca -0.04 1.75 -0.09 0.00 0.00 0.00 0.00 51.96 53.58 1ftf s ALA 1093Cb -0.13 -1.33 -0.12 0.00 0.00 0.00 0.00 23.12 21.54 1ftf s ALA 1093CO -0.03 -0.22 2.96 -0.35 0.00 0.00 0.00 175.76 178.12 1ftf n PRO 1094N 1.33 3.11 -3.73 0.00 -0.04 -1.26 -4.79 135.00 129.62 1ftf n PRO 1094Ca -0.09 -1.84 -0.12 0.00 -0.04 0.00 0.00 63.50 61.41 1ftf n PRO 1094Cb 0.57 -2.58 -0.11 0.00 -0.04 0.00 0.00 33.50 31.34 1ftf n PRO 1094CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ftf s PHE 1095N 2.10 -0.43 -0.10 0.54 2.19 -1.26 -5.07 117.98 115.96 1ftf s PHE 1095Ca 0.65 0.98 0.15 0.00 0.33 0.00 0.00 56.93 59.04 1ftf s PHE 1095Cb 0.20 0.15 -0.13 0.00 -1.31 0.00 0.00 43.02 41.92 1ftf s PHE 1095CO -0.04 -0.24 0.90 0.77 1.83 0.00 0.00 175.22 178.43 1ftf h SER 1096N 6.47 0.00 0.00 6.13 0.02 -1.96 -3.48 113.55 120.73 1ftf h SER 1096Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1ftf h SER 1096Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1ftf h SER 1096CO 0.32 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 1ftf n GLY 1097N 1.40 -0.42 3.78 -3.77 0.00 -1.26 -5.03 105.19 99.90 1ftf n GLY 1097Ca -0.09 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 1ftf n GLY 1097CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ftf s LYS 1098N 0.00 4.28 -0.30 1.61 0.00 -0.04 -4.90 119.74 120.38 1ftf s LYS 1098Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 55.97 56.69 1ftf s LYS 1098Cb 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 37.83 34.58 1ftf s LYS 1098CO 0.00 0.50 0.03 0.42 0.00 0.00 0.00 175.35 176.30 1ftf s ILE 1099N -0.64 3.34 -0.33 3.79 1.01 -1.26 -0.53 121.20 126.58 1ftf s ILE 1099Ca 0.30 -1.16 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 1ftf s ILE 1099Cb -0.19 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1ftf s ILE 1099CO 0.18 -0.06 0.55 0.26 0.00 0.00 0.00 174.94 175.88 1ftf s TRP 1100N 1.34 3.19 0.04 3.97 0.52 0.02 -4.84 118.94 123.19 1ftf s TRP 1100Ca -0.02 0.32 0.08 0.00 0.02 0.00 0.00 56.10 56.50 1ftf s TRP 1100Cb -0.19 -2.95 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 1ftf s TRP 1100CO 0.00 -0.52 -0.23 -1.17 0.02 0.00 0.00 176.95 175.05 1ftf s LEU 1101N 2.47 2.17 -0.12 2.99 2.96 -1.26 -1.17 118.68 126.72 1ftf s LEU 1101Ca 0.21 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1ftf s LEU 1101Cb -0.15 -1.09 0.04 0.00 0.50 0.00 0.00 46.19 45.48 1ftf s LEU 1101CO 0.13 0.20 0.31 -0.55 -1.32 0.00 0.00 176.35 175.12 1ftf s SER 1102N -1.20 -0.35 0.04 3.68 0.15 -0.92 -4.93 113.70 110.18 1ftf s SER 1102Ca 0.09 0.65 0.05 0.00 0.70 0.00 0.00 55.95 57.45 1ftf s SER 1102Cb -0.09 0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1ftf s SER 1102CO 0.02 -0.14 -0.15 -0.63 1.20 0.00 0.00 173.24 173.54 1ftf s ILE 1103N 0.65 1.20 -0.00 6.45 1.01 -1.26 -1.22 121.20 128.02 1ftf s ILE 1103Ca -0.04 -1.07 -0.17 0.00 0.00 0.00 0.00 60.65 59.37 1ftf s ILE 1103Cb -0.05 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.36 1ftf s ILE 1103CO -0.04 0.01 0.37 -0.55 0.00 0.00 0.00 174.94 174.73 1ftf s SER 1104N -1.22 -0.26 0.13 3.58 0.15 -0.49 -5.00 113.70 110.59 1ftf s SER 1104Ca 0.02 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.66 1ftf s SER 1104Cb -0.08 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.60 1ftf s SER 1104CO 0.01 -0.53 0.30 -1.38 1.20 0.00 0.00 173.24 172.85 1ftf s HIS 1105N -1.69 0.08 0.00 3.44 -3.43 -1.26 0.27 115.29 112.70 1ftf s HIS 1105Ca -0.11 -0.46 0.00 0.00 -0.80 0.00 0.00 55.06 53.70 1ftf s HIS 1105Cb -0.03 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 1ftf s HIS 1105CO 0.03 -0.66 0.00 0.25 -2.00 0.00 0.00 174.74 172.35 1ftf n THR 1106N -0.17 0.00 0.64 -5.38 -2.24 0.12 -4.98 114.28 102.27 1ftf n THR 1106Ca -0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.73 1ftf n THR 1106Cb 0.63 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 69.23 1ftf n THR 1106CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ftf n ASP 1107N -0.92 0.00 0.00 3.42 8.00 -1.26 -3.93 116.55 121.87 1ftf n ASP 1107Ca 0.00 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1ftf n ASP 1107Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1ftf n ASP 1107CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ftf n GLN 1108N -1.41 2.62 -4.21 -1.24 6.02 -1.26 -4.91 117.38 112.99 1ftf n GLN 1108Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.89 1ftf n GLN 1108Cb 0.16 -0.89 -0.11 0.00 1.02 0.00 0.00 30.24 30.42 1ftf n GLN 1108CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ftf s PHE 1109N -1.73 1.22 -0.04 1.08 0.40 -1.25 -1.56 117.98 116.09 1ftf s PHE 1109Ca 0.00 -0.62 0.04 0.00 -0.60 0.00 0.00 56.93 55.75 1ftf s PHE 1109Cb 0.00 -0.65 -0.00 0.00 0.51 0.00 0.00 43.02 42.88 1ftf s PHE 1109CO 0.00 0.07 -0.16 0.54 0.70 0.00 0.00 175.22 176.36 1ftf s VAL 1110N -2.37 1.36 0.16 -0.44 0.11 -0.10 0.10 120.40 119.22 1ftf s VAL 1110Ca 0.08 -0.68 0.10 0.00 -2.93 0.00 0.00 61.98 58.54 1ftf s VAL 1110Cb -0.03 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1ftf s VAL 1110CO 0.01 0.39 -0.22 0.42 -3.33 0.00 0.00 175.10 172.38 1ftf s THR 1111N 0.00 2.04 -0.01 5.04 -4.23 0.14 -0.78 115.64 117.84 1ftf s THR 1111Ca -0.03 -1.89 -0.06 0.00 -1.18 0.00 0.00 61.69 58.54 1ftf s THR 1111Cb -0.11 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.82 1ftf s THR 1111CO 0.02 -0.17 0.13 0.00 -0.54 0.00 0.00 174.62 174.06 1ftf s ALA 1112N -1.68 -0.30 -0.02 3.99 0.00 -0.01 -1.39 121.76 122.35 1ftf s ALA 1112Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1ftf s ALA 1112Cb -0.08 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1ftf s ALA 1112CO 0.07 -0.16 -0.05 0.45 0.00 0.00 0.00 175.76 176.07 1ftf s SER 1113N -0.98 0.73 -0.04 0.00 0.15 -0.36 -1.19 113.70 112.00 1ftf s SER 1113Ca -0.11 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.48 1ftf s SER 1113Cb -0.06 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1ftf s SER 1113CO 0.01 0.01 -0.14 -0.69 1.20 0.00 0.00 173.24 173.63 1ftf s VAL 1114N 0.36 1.20 -0.16 4.45 1.01 0.11 -2.16 120.40 125.21 1ftf s VAL 1114Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ftf s VAL 1114Cb -0.08 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.28 1ftf s VAL 1114CO -0.00 0.36 -0.12 -0.63 0.00 0.00 0.00 175.10 174.70 1ftf s ILE 1115N 0.17 1.52 -0.10 2.22 1.01 -0.32 -1.05 121.20 124.65 1ftf s ILE 1115Ca -0.05 -0.69 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 1ftf s ILE 1115Cb -0.11 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1ftf s ILE 1115CO 0.02 0.37 0.52 -0.76 0.00 0.00 0.00 174.94 175.09 1ftf s LEU 1116N 1.49 4.29 0.05 2.97 1.43 0.02 -0.80 118.68 128.13 1ftf s LEU 1116Ca 0.03 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 1ftf s LEU 1116Cb -0.14 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1ftf s LEU 1116CO -0.10 -0.01 -0.18 -0.70 0.23 0.00 0.00 176.35 175.59 1ftf s GLU 1117N 0.61 1.18 0.00 1.70 2.12 0.32 -1.09 118.70 123.54 1ftf s GLU 1117Ca 0.28 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1ftf s GLU 1117Cb -0.16 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 32.97 1ftf s GLU 1117CO 0.12 0.32 0.42 -1.91 -0.54 0.00 0.00 175.26 173.67