#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffv n ASP 1002N 0.00 6.86 -4.42 7.83 9.92 -1.26 -5.00 116.55 130.48 3ffv n ASP 1002Ca 0.00 -3.76 -0.57 0.00 -0.53 0.00 0.00 54.79 49.93 3ffv n ASP 1002Cb 0.00 -0.92 -0.10 0.00 -0.64 0.00 0.00 41.12 39.47 3ffv n ASP 1002CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3ffv n ASP 1003N -0.95 1.44 0.09 -2.24 2.03 -1.26 -4.91 116.55 110.75 3ffv n ASP 1003Ca 0.61 0.69 -0.05 0.00 0.52 0.00 0.00 54.79 56.56 3ffv n ASP 1003Cb 0.84 -1.04 0.13 0.00 -0.72 0.00 0.00 41.12 40.33 3ffv n ASP 1003CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ffv h LEU 1004N 9.50 0.26 0.00 -2.67 3.38 -1.99 -2.51 115.31 121.29 3ffv h LEU 1004Ca -0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 3ffv h LEU 1004Cb 1.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3ffv h LEU 1004CO 1.04 0.79 -0.00 0.74 0.09 0.00 0.00 178.44 181.10 3ffv h THR 1005N 0.17 1.31 -0.96 0.22 2.02 -1.96 -0.31 112.91 113.41 3ffv h THR 1005Ca -0.00 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.28 3ffv h THR 1005Cb 1.08 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 3ffv h THR 1005CO 0.09 0.24 0.63 0.00 0.37 0.00 0.00 175.52 176.85 3ffv h ALA 1006N 0.60 1.23 -0.30 6.16 0.00 -1.90 -1.13 119.26 123.91 3ffv h ALA 1006Ca -0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3ffv h ALA 1006Cb 0.39 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ffv h ALA 1006CO 0.00 0.59 -0.40 0.37 0.00 0.00 0.00 179.25 179.81 3ffv h GLN 1007N 1.28 0.80 -0.45 0.00 5.75 -1.42 -1.88 115.11 119.19 3ffv h GLN 1007Ca 0.36 -0.46 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 3ffv h GLN 1007Cb -0.12 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 3ffv h GLN 1007CO -0.09 1.09 0.17 0.00 -2.65 0.00 0.00 178.83 177.35 3ffv h ALA 1008N 0.70 1.45 -0.24 3.38 0.00 -0.69 0.36 119.26 124.22 3ffv h ALA 1008Ca 0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3ffv h ALA 1008Cb 0.99 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ffv h ALA 1008CO 0.09 0.42 -0.37 1.25 0.00 0.00 0.00 179.25 180.65 3ffv h LEU 1009N 0.64 0.73 -0.91 0.00 5.85 -1.09 -1.65 115.31 118.89 3ffv h LEU 1009Ca 0.16 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 3ffv h LEU 1009Cb 0.15 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3ffv h LEU 1009CO -0.01 1.11 -0.44 0.11 -0.34 0.00 0.00 178.44 178.86 3ffv h LYS 1010N 0.38 0.21 -0.34 1.25 1.57 -0.79 -0.57 116.57 118.28 3ffv h LYS 1010Ca 0.02 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3ffv h LYS 1010Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3ffv h LYS 1010CO 0.08 0.62 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.07 3ffv h ASP 1011N 0.18 0.66 -0.52 0.86 3.45 -0.22 -1.04 116.42 119.79 3ffv h ASP 1011Ca 0.01 -0.36 -0.09 0.00 0.43 0.00 0.00 57.03 57.02 3ffv h ASP 1011Cb 0.86 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.43 3ffv h ASP 1011CO 0.07 0.87 -0.03 0.15 -1.57 0.00 0.00 179.24 178.72 3ffv h PHE 1012N 0.44 1.03 0.00 4.55 3.04 -1.12 -1.73 116.94 123.16 3ffv h PHE 1012Ca 0.09 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 3ffv h PHE 1012Cb 0.58 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 3ffv h PHE 1012CO 0.05 0.96 -0.05 1.15 -2.02 0.00 0.00 178.31 178.40 3ffv h THR 1013N 0.80 1.02 -0.13 4.41 2.02 -0.96 0.53 112.91 120.61 3ffv h THR 1013Ca 0.14 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 67.02 3ffv h THR 1013Cb 0.57 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3ffv h THR 1013CO 0.03 0.05 -0.40 0.00 0.37 0.00 0.00 175.52 175.57 3ffv h ALA 1014N 1.95 0.22 -0.19 6.16 0.00 -0.75 -2.11 119.26 124.54 3ffv h ALA 1014Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3ffv h ALA 1014Cb 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ffv h ALA 1014CO 0.01 0.33 -0.17 0.00 0.00 0.00 0.00 179.25 179.42 3ffv h ARG 1015N 0.10 0.31 0.01 0.00 3.08 -0.52 0.32 114.38 117.68 3ffv h ARG 1015Ca -0.01 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3ffv h ARG 1015Cb 1.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3ffv h ARG 1015CO 0.09 0.48 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.54 3ffv h TYR 1016N 0.29 -0.01 -0.60 3.04 3.20 -0.86 -1.24 116.97 120.79 3ffv h TYR 1016Ca 0.05 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3ffv h TYR 1016Cb 0.47 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3ffv h TYR 1016CO 0.01 0.37 0.09 0.00 -1.64 0.00 0.00 178.16 176.99 3ffv h ASP 1018N 0.93 0.43 -0.58 0.00 3.32 -0.87 -0.20 116.42 119.45 3ffv h ASP 1018Ca 0.19 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3ffv h ASP 1018Cb 0.41 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3ffv h ASP 1018CO 0.01 0.43 0.04 0.00 -1.72 0.00 0.00 179.24 178.01 3ffv h ALA 1019N 1.63 0.94 -0.20 3.45 0.00 -0.54 -0.91 119.26 123.63 3ffv h ALA 1019Ca 0.11 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3ffv h ALA 1019Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ffv h ALA 1019CO -0.01 0.65 -0.67 -1.49 0.00 0.00 0.00 179.25 177.73 3ffv h TRP 1020N 0.94 1.02 -0.33 0.00 4.06 -0.96 -1.83 115.95 118.85 3ffv h TRP 1020Ca 0.18 -0.41 -0.00 0.00 2.06 0.00 0.00 58.89 60.72 3ffv h TRP 1020Cb 0.49 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 3ffv h TRP 1020CO 0.03 1.23 0.19 0.45 -3.56 0.00 0.00 178.44 176.78 3ffv h HIS 1021N 0.57 0.44 0.04 0.49 3.86 -0.66 0.21 115.15 120.09 3ffv h HIS 1021Ca -0.02 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3ffv h HIS 1021Cb 1.28 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.61 3ffv h HIS 1021CO 0.07 0.34 -0.02 1.49 0.86 0.00 0.00 177.93 180.68 3ffv h GLU 1022N 0.41 -0.05 -0.05 2.45 4.57 -1.19 -0.01 114.58 120.70 3ffv h GLU 1022Ca 0.12 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 3ffv h GLU 1022Cb 0.04 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3ffv h GLU 1022CO -0.02 0.34 -0.29 1.49 -1.18 0.00 0.00 179.01 179.35 3ffv h GLU 1023N -0.45 0.28 -0.02 1.92 4.57 -1.32 -3.38 114.58 116.17 3ffv h GLU 1023Ca -0.01 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3ffv h GLU 1023Cb 0.41 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3ffv h GLU 1023CO 0.01 0.89 0.00 0.72 -1.18 0.00 0.00 179.01 179.45 3ffv n HIS 1024N -4.46 0.01 -3.74 0.92 8.25 0.67 -5.00 115.22 111.87 3ffv n HIS 1024Ca -0.09 -0.02 -0.26 0.00 -0.26 0.00 0.00 57.72 57.09 3ffv n HIS 1024Cb 0.49 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.65 3ffv n HIS 1024CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ffv n LYS 1025N 0.48 -6.60 -3.86 -0.41 5.02 -0.02 -4.95 118.16 107.82 3ffv n LYS 1025Ca 0.05 0.71 -0.09 0.00 -2.02 0.00 0.00 58.31 56.96 3ffv n LYS 1025Cb 0.22 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.58 3ffv n LYS 1025CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ffv s SER 1026N -3.43 0.05 0.69 4.39 1.04 -1.19 -4.95 113.70 110.30 3ffv s SER 1026Ca 0.56 -1.07 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 3ffv s SER 1026Cb -0.26 0.80 0.07 0.00 0.10 0.00 0.00 66.02 66.72 3ffv s SER 1026CO 0.78 -1.56 0.98 0.26 0.98 0.00 0.00 173.24 174.69 3ffv s TRP 1027N -2.78 2.69 0.40 5.02 0.52 -1.26 -2.35 118.94 121.18 3ffv s TRP 1027Ca 0.17 0.27 -0.26 0.00 0.02 0.00 0.00 56.10 56.30 3ffv s TRP 1027Cb -0.05 -3.14 -0.11 0.00 -1.15 0.00 0.00 33.47 29.03 3ffv s TRP 1027CO 0.11 -1.40 1.18 -2.30 0.02 0.00 0.00 176.95 174.56 3ffv n PRO 1028N -2.85 1.76 -4.89 4.98 -0.02 -1.24 -4.74 135.00 128.00 3ffv n PRO 1028Ca 0.09 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 3ffv n PRO 1028Cb 0.60 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.70 3ffv n PRO 1028CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ffv s LEU 1029N -1.12 2.62 -0.03 2.45 2.96 -1.26 -1.66 118.68 122.65 3ffv s LEU 1029Ca 0.61 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3ffv s LEU 1029Cb -0.54 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3ffv s LEU 1029CO 0.58 0.23 -0.01 -0.55 -1.32 0.00 0.00 176.35 175.28 3ffv s SER 1030N -0.04 0.50 -0.05 3.68 0.15 0.35 -4.96 113.70 113.33 3ffv s SER 1030Ca -0.04 -0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.47 3ffv s SER 1030Cb -0.14 -0.25 -0.30 0.00 -1.71 0.00 0.00 66.02 63.63 3ffv s SER 1030CO 0.04 -0.08 0.64 -0.33 1.20 0.00 0.00 173.24 174.71 3ffv h GLU 1031N 7.12 0.35 -0.42 5.44 5.08 -1.87 -1.09 114.58 129.19 3ffv h GLU 1031Ca -0.41 -0.60 -0.02 0.00 -1.00 0.00 0.00 59.36 57.33 3ffv h GLU 1031Cb 1.14 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 3ffv h GLU 1031CO 0.48 1.27 0.16 1.05 -1.00 0.00 0.00 179.01 180.97 3ffv h GLU 1032N 0.10 0.60 -0.00 2.33 9.09 -1.95 -2.57 114.58 122.16 3ffv h GLU 1032Ca -0.35 -0.08 0.00 0.00 0.05 0.00 0.00 59.36 58.98 3ffv h GLU 1032Cb 2.08 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 29.07 3ffv h GLU 1032CO 0.16 0.50 -0.10 1.28 0.05 0.00 0.00 179.01 180.90 3ffv n LEU 1033N -4.37 0.54 -4.72 3.06 4.77 -1.26 -4.89 117.00 110.13 3ffv n LEU 1033Ca 0.03 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 3ffv n LEU 1033Cb 0.15 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3ffv n LEU 1033CO 0.37 0.10 1.36 -0.47 -1.33 0.00 0.00 177.39 177.42 3ffv s TYR 1034N -2.42 2.83 0.00 -1.77 6.14 -0.97 -1.75 117.35 119.41 3ffv s TYR 1034Ca 0.30 0.35 0.00 0.00 0.64 0.00 0.00 57.07 58.36 3ffv s TYR 1034Cb 0.20 -4.11 0.00 0.00 0.42 0.00 0.00 41.96 38.48 3ffv s TYR 1034CO 0.46 -4.22 0.00 0.41 0.64 0.00 0.00 175.55 172.84 3ffv n GLY 1035N 3.97 0.77 3.34 8.97 0.00 -1.26 -5.03 105.19 115.96 3ffv n GLY 1035Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3ffv n GLY 1035CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ffv s VAL 1036N -2.78 4.30 0.44 1.61 1.01 -0.72 -5.07 120.40 119.19 3ffv s VAL 1036Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 3ffv s VAL 1036Cb 0.00 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 3ffv s VAL 1036CO 0.00 -0.19 0.81 -2.65 0.00 0.00 0.00 175.10 173.07 3ffv n PRO 1037N 4.93 0.97 -3.64 2.72 -0.02 -1.26 -5.00 135.00 133.70 3ffv n PRO 1037Ca -0.12 0.35 -0.03 0.00 -2.02 0.00 0.00 63.50 61.68 3ffv n PRO 1037Cb 0.46 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 3ffv n PRO 1037CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ffv s SER 1038N -0.88 -0.09 0.00 2.55 0.15 -1.26 -4.79 113.70 109.38 3ffv s SER 1038Ca 0.65 0.15 0.18 0.00 0.70 0.00 0.00 55.95 57.63 3ffv s SER 1038Cb -0.56 0.14 0.92 0.00 -1.71 0.00 0.00 66.02 64.81 3ffv s SER 1038CO 0.56 -0.05 1.55 -0.81 1.20 0.00 0.00 173.24 175.69 3ffv n PRO 1039N 1.22 0.26 0.22 5.44 -0.04 -1.26 -2.42 135.00 138.43 3ffv n PRO 1039Ca -0.07 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 3ffv n PRO 1039Cb 0.58 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.74 3ffv n PRO 1039CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ffv n ILE 1041N -3.10 0.15 -0.08 0.00 2.08 -1.01 -1.33 119.36 116.07 3ffv n ILE 1041Ca 0.04 -0.03 -0.17 0.00 0.56 0.00 0.00 62.75 63.15 3ffv n ILE 1041Cb 0.51 -1.99 -0.06 0.00 -0.75 0.00 0.00 39.64 37.36 3ffv n ILE 1041CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3ffv n ILE 1042N 4.22 0.87 -3.75 1.39 5.41 0.24 -4.91 119.36 122.83 3ffv n ILE 1042Ca 0.17 -0.23 -0.10 0.00 1.00 0.00 0.00 62.75 63.60 3ffv n ILE 1042Cb 0.35 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.57 3ffv n ILE 1042CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3ffv s SER 1043N -6.36 -0.21 0.05 4.38 1.04 -1.18 -5.02 113.70 106.41 3ffv s SER 1043Ca -0.22 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.71 3ffv s SER 1043Cb 0.08 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3ffv s SER 1043CO 0.28 -0.99 -0.05 0.42 0.98 0.00 0.00 173.24 173.88 3ffv s THR 1044N -3.87 0.40 0.00 2.02 -4.23 -1.26 -0.87 115.64 107.82 3ffv s THR 1044Ca 0.09 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 3ffv s THR 1044Cb 0.00 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.77 3ffv s THR 1044CO -0.04 -0.71 0.00 0.35 -0.54 0.00 0.00 174.62 173.68 3ffv n THR 1045N 0.71 0.00 0.11 3.99 -2.24 0.07 -4.98 114.28 111.94 3ffv n THR 1045Ca -0.18 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.58 3ffv n THR 1045Cb 0.58 -0.50 0.20 0.00 -2.10 0.00 0.00 70.33 68.51 3ffv n THR 1045CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ffv h GLU 1046N 0.00 0.17 0.00 -0.78 3.07 -2.04 -3.37 114.58 111.63 3ffv h GLU 1046Ca 0.00 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 58.72 3ffv h GLU 1046Cb 0.00 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 27.83 3ffv h GLU 1046CO 0.00 0.63 -0.48 -0.40 -1.40 0.00 0.00 179.01 177.36 3ffv n ASP 1047N -3.95 0.11 -4.03 1.42 5.68 -1.26 -5.13 116.55 109.40 3ffv n ASP 1047Ca -0.02 -1.79 -0.10 0.00 -0.50 0.00 0.00 54.79 52.39 3ffv n ASP 1047Cb 0.53 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 3ffv n ASP 1047CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ffv s ALA 1048N 0.00 0.25 0.01 2.12 0.00 -1.26 -4.59 121.76 118.29 3ffv s ALA 1048Ca 0.07 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.97 3ffv s ALA 1048Cb 0.08 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 24.16 3ffv s ALA 1048CO -0.03 -0.65 -0.06 0.14 0.00 0.00 0.00 175.76 175.16 3ffv s VAL 1049N -4.01 0.44 -0.19 0.00 -7.23 -0.41 -0.75 120.40 108.25 3ffv s VAL 1049Ca 0.22 -0.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.74 3ffv s VAL 1049Cb 0.04 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 3ffv s VAL 1049CO 0.03 -0.10 0.08 -0.31 -0.31 0.00 0.00 175.10 174.50 3ffv s TYR 1050N -0.64 3.30 0.25 2.82 2.02 -0.05 -0.50 117.35 124.55 3ffv s TYR 1050Ca -0.03 0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 3ffv s TYR 1050Cb -0.05 -2.10 -0.05 0.00 -0.40 0.00 0.00 41.96 39.36 3ffv s TYR 1050CO 0.00 0.20 0.02 1.67 -1.57 0.00 0.00 175.55 175.87 3ffv s TRP 1051N 0.34 1.61 0.01 2.71 1.48 -0.66 -0.59 118.94 123.84 3ffv s TRP 1051Ca 0.04 -0.97 0.01 0.00 -1.06 0.00 0.00 56.10 54.12 3ffv s TRP 1051Cb -0.12 -0.95 -0.01 0.00 -1.16 0.00 0.00 33.47 31.23 3ffv s TRP 1051CO -0.00 -0.08 -0.03 1.14 -4.06 0.00 0.00 176.95 173.91 3ffv s GLN 1052N -3.89 0.26 0.56 3.25 -2.07 -0.44 -3.66 119.66 113.66 3ffv s GLN 1052Ca 0.31 -0.32 -0.21 0.00 -1.82 0.00 0.00 55.36 53.32 3ffv s GLN 1052Cb 0.06 -0.11 -0.05 0.00 -1.09 0.00 0.00 33.01 31.83 3ffv s GLN 1052CO 0.10 0.02 1.31 -0.35 -1.32 0.00 0.00 175.29 175.05 3ffv n PRO 1053N 2.42 1.54 -4.18 9.60 -0.04 -1.26 -4.47 135.00 138.60 3ffv n PRO 1053Ca -0.17 0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 63.74 3ffv n PRO 1053Cb 0.57 -2.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.41 3ffv n PRO 1053CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3ffv s GLN 1054N -2.92 0.88 0.49 0.54 -1.52 -0.59 -4.97 119.66 111.57 3ffv s GLN 1054Ca 0.73 -1.31 -0.24 0.00 -1.95 0.00 0.00 55.36 52.60 3ffv s GLN 1054Cb -0.42 -0.36 -0.07 0.00 -0.22 0.00 0.00 33.01 31.94 3ffv s GLN 1054CO 0.48 0.02 1.39 -2.14 -0.25 0.00 0.00 175.29 174.80 3ffv s PRO 1055N -3.53 3.47 0.13 2.91 0.02 -1.26 -0.25 135.00 136.49 3ffv s PRO 1055Ca 0.11 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.16 3ffv s PRO 1055Cb 0.03 -2.49 -0.06 0.00 0.02 0.00 0.00 34.50 31.99 3ffv s PRO 1055CO -0.02 -0.96 0.98 0.12 -0.33 0.00 0.00 177.00 176.79 3ffv s PHE 1056N -1.25 3.81 0.03 6.54 5.36 -1.25 -4.44 117.98 126.78 3ffv s PHE 1056Ca 0.65 1.79 0.08 0.00 -0.96 0.00 0.00 56.93 58.49 3ffv s PHE 1056Cb -0.42 -3.07 -0.03 0.00 -0.34 0.00 0.00 43.02 39.16 3ffv s PHE 1056CO 0.52 0.14 -0.24 0.95 -1.46 0.00 0.00 175.22 175.13 3ffv s THR 1057N -0.15 1.95 0.00 0.12 -4.23 -1.26 -4.98 115.64 107.09 3ffv s THR 1057Ca 0.47 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3ffv s THR 1057Cb -0.24 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 71.94 3ffv s THR 1057CO 0.31 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 3ffv n GLY 1058N 1.96 0.97 3.69 3.99 0.00 -1.26 -4.73 105.19 109.82 3ffv n GLY 1058Ca -0.17 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 3ffv n GLY 1058CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ffv s GLU 1059N -1.21 4.16 -1.28 1.61 2.02 -1.26 -4.90 118.70 117.84 3ffv s GLU 1059Ca 0.00 2.51 -0.12 0.00 0.02 0.00 0.00 54.97 57.38 3ffv s GLU 1059Cb 0.00 -3.55 0.14 0.00 0.10 0.00 0.00 34.13 30.83 3ffv s GLU 1059CO 0.00 -0.80 1.74 1.04 0.02 0.00 0.00 175.26 177.26 3ffv n GLN 1060N 5.48 3.40 -3.62 1.61 6.02 -1.26 -4.88 117.38 124.13 3ffv n GLN 1060Ca 0.17 -3.52 -0.01 0.00 -0.01 0.00 0.00 57.00 53.63 3ffv n GLN 1060Cb 0.39 -3.07 -0.01 0.00 1.02 0.00 0.00 30.24 28.57 3ffv n GLN 1060CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ffv s ASN 1061N 2.20 -0.10 -0.43 1.08 4.22 -1.26 -4.92 114.94 115.73 3ffv s ASN 1061Ca 0.43 -0.10 0.04 0.00 -2.14 0.00 0.00 52.86 51.09 3ffv s ASN 1061Cb 0.05 0.19 0.46 0.00 1.28 0.00 0.00 41.25 43.23 3ffv s ASN 1061CO 0.00 -0.33 1.51 1.33 -2.04 0.00 0.00 177.10 177.56 3ffv n VAL 1062N -0.34 2.93 0.28 3.54 0.24 -1.26 -4.73 118.33 118.98 3ffv n VAL 1062Ca -0.05 -3.68 0.13 0.00 -2.04 0.00 0.00 64.34 58.69 3ffv n VAL 1062Cb 0.61 -1.10 0.81 0.00 -1.47 0.00 0.00 33.84 32.69 3ffv n VAL 1062CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3ffv h ASN 1063N 2.05 0.00 -0.35 -1.34 2.35 -1.97 -1.43 115.58 114.90 3ffv h ASN 1063Ca 0.45 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.13 3ffv h ASN 1063Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 3ffv h ASN 1063CO 1.04 0.02 -0.02 0.00 -1.65 0.00 0.00 177.43 176.81 3ffv h ALA 1064N 1.98 1.14 -0.43 -0.83 0.00 -1.99 0.45 119.26 119.58 3ffv h ALA 1064Ca -0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3ffv h ALA 1064Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ffv h ALA 1064CO 0.00 0.55 -0.27 0.28 0.00 0.00 0.00 179.25 179.81 3ffv h VAL 1065N 0.68 1.27 -0.40 0.00 2.07 -1.61 -1.03 116.25 117.24 3ffv h VAL 1065Ca 0.13 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 3ffv h VAL 1065Cb 0.45 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3ffv h VAL 1065CO 0.02 0.49 0.04 -0.33 0.02 0.00 0.00 177.57 177.81 3ffv h GLU 1066N 0.79 0.67 0.80 1.57 5.08 -1.11 -1.74 114.58 120.64 3ffv h GLU 1066Ca 0.09 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3ffv h GLU 1066Cb 0.84 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3ffv h GLU 1066CO 0.07 0.74 -0.47 -0.09 -1.00 0.00 0.00 179.01 178.26 3ffv h ARG 1067N 0.51 -1.14 -0.58 2.33 2.43 -0.80 0.61 114.38 117.74 3ffv h ARG 1067Ca 0.12 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3ffv h ARG 1067Cb 0.41 0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 3ffv h ARG 1067CO 0.01 -0.76 0.29 0.00 -1.51 0.00 0.00 179.97 178.01 3ffv h ALA 1068N -1.08 0.75 0.00 2.80 0.00 -1.18 -2.96 119.26 117.59 3ffv h ALA 1068Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ffv h ALA 1068Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ffv h ALA 1068CO 0.12 -0.05 -0.99 0.34 0.00 0.00 0.00 179.25 178.66 3ffv n PHE 1069N -4.86 0.35 -2.88 0.00 -0.00 -0.66 -5.01 117.46 104.41 3ffv n PHE 1069Ca 0.06 0.10 -0.04 0.00 -0.00 0.00 0.00 57.45 57.58 3ffv n PHE 1069Cb 0.17 -0.51 0.02 0.00 -0.00 0.00 0.00 39.48 39.15 3ffv n PHE 1069CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3ffv n ASP 1070N -2.05 -6.68 -3.73 -2.13 2.03 0.21 -5.05 116.55 99.15 3ffv n ASP 1070Ca 0.02 -0.22 -0.10 0.00 0.52 0.00 0.00 54.79 55.01 3ffv n ASP 1070Cb 0.45 -4.64 -0.06 0.00 -0.72 0.00 0.00 41.12 36.15 3ffv n ASP 1070CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3ffv s ILE 1071N -3.10 0.10 -0.29 5.18 2.07 -0.90 -5.05 121.20 119.22 3ffv s ILE 1071Ca 0.11 -0.83 -0.07 0.00 -1.41 0.00 0.00 60.65 58.45 3ffv s ILE 1071Cb -0.01 -1.25 -0.00 0.00 0.13 0.00 0.00 42.46 41.33 3ffv s ILE 1071CO 0.64 -0.45 0.09 -0.69 -1.91 0.00 0.00 174.94 172.62 3ffv s VAL 1072N -3.83 4.13 -0.02 4.00 1.01 -1.26 -4.47 120.40 119.96 3ffv s VAL 1072Ca 0.04 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 3ffv s VAL 1072Cb 0.03 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 3ffv s VAL 1072CO -0.11 0.13 0.57 -0.63 0.00 0.00 0.00 175.10 175.05 3ffv s ILE 1073N 1.54 4.97 -0.01 2.22 1.01 -1.26 -5.01 121.20 124.66 3ffv s ILE 1073Ca 0.04 1.18 -0.39 0.00 0.00 0.00 0.00 60.65 61.47 3ffv s ILE 1073Cb -0.17 -3.90 -0.19 0.00 0.01 0.00 0.00 42.46 38.21 3ffv s ILE 1073CO 0.03 0.41 1.23 0.00 0.00 0.00 0.00 174.94 176.61 3ffv n GLN 1074N 2.86 0.45 -0.34 2.79 1.13 -1.26 -4.82 117.38 118.19 3ffv n GLN 1074Ca -0.07 0.16 0.19 0.00 -1.94 0.00 0.00 57.00 55.35 3ffv n GLN 1074Cb 0.51 -1.72 0.43 0.00 0.11 0.00 0.00 30.24 29.57 3ffv n GLN 1074CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3ffv h PRO 1075N 3.85 0.50 0.00 -1.09 0.11 -1.99 -0.89 132.00 132.50 3ffv h PRO 1075Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3ffv h PRO 1075Cb 1.39 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ffv h PRO 1075CO 0.73 0.33 -0.14 1.79 -0.21 0.00 0.00 178.00 180.50 3ffv h THR 1076N 0.52 0.99 -0.14 -1.15 1.35 -1.97 -2.25 112.91 110.26 3ffv h THR 1076Ca 0.62 -0.51 -0.18 0.00 -0.55 0.00 0.00 66.41 65.79 3ffv h THR 1076Cb 1.32 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3ffv h THR 1076CO -0.40 0.14 -0.66 0.40 -0.25 0.00 0.00 175.52 174.75 3ffv h ILE 1077N 0.00 1.34 -0.14 6.82 1.08 -1.50 0.27 117.51 125.38 3ffv h ILE 1077Ca -0.00 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 3ffv h ILE 1077Cb 0.27 1.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3ffv h ILE 1077CO 0.02 0.60 0.09 0.45 -0.69 0.00 0.00 178.15 178.62 3ffv h HIS 1078N 0.39 0.17 -0.31 1.37 3.86 -1.44 -2.80 115.15 116.39 3ffv h HIS 1078Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3ffv h HIS 1078Cb 1.23 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 3ffv h HIS 1078CO 0.05 0.10 0.20 1.15 0.86 0.00 0.00 177.93 180.29 3ffv h THR 1079N 0.18 1.09 -0.88 2.45 2.02 -1.22 -2.53 112.91 114.02 3ffv h THR 1079Ca 0.05 -0.20 0.17 0.00 0.77 0.00 0.00 66.41 67.20 3ffv h THR 1079Cb -0.02 0.67 -0.10 0.00 -1.74 0.00 0.00 68.15 66.96 3ffv h THR 1079CO -0.01 0.09 0.46 0.15 0.37 0.00 0.00 175.52 176.57 3ffv h PHE 1080N 0.41 0.79 -0.01 3.16 3.57 -0.21 -2.59 116.94 122.06 3ffv h PHE 1080Ca 0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3ffv h PHE 1080Cb -0.02 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.50 3ffv h PHE 1080CO -0.05 0.15 -0.44 0.66 -2.23 0.00 0.00 178.31 176.40 3ffv n TYR 1081N -4.88 0.00 -1.29 0.41 4.02 -1.09 -4.45 117.16 109.87 3ffv n TYR 1081Ca 0.19 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.16 3ffv n TYR 1081Cb 0.49 -0.03 0.11 0.00 -0.02 0.00 0.00 39.34 39.90 3ffv n TYR 1081CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3ffv n THR 1082N -0.17 1.47 0.06 -0.72 -2.24 -0.96 -4.64 114.28 107.08 3ffv n THR 1082Ca 0.10 -1.77 -0.21 0.00 -2.27 0.00 0.00 64.05 59.90 3ffv n THR 1082Cb 0.44 -0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.46 3ffv n THR 1082CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3ffv h THR 1083N 1.60 0.96 -3.41 4.28 2.02 -1.69 -3.44 112.91 113.23 3ffv h THR 1083Ca -0.00 -2.58 -0.07 0.00 0.77 0.00 0.00 66.41 64.54 3ffv h THR 1083Cb 1.09 2.73 -0.05 0.00 -1.74 0.00 0.00 68.15 70.18 3ffv h THR 1083CO 0.00 0.84 0.06 0.00 0.37 0.00 0.00 175.52 176.79 3ffv s GLN 1084N -2.59 1.90 -0.10 6.66 -2.07 -1.26 -3.82 119.66 118.38 3ffv s GLN 1084Ca -0.14 -1.37 -0.02 0.00 -1.82 0.00 0.00 55.36 52.01 3ffv s GLN 1084Cb 0.06 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.49 3ffv s GLN 1084CO 0.85 -0.84 -0.02 -0.06 -1.32 0.00 0.00 175.29 173.90 3ffv s PHE 1085N -3.25 3.09 0.00 9.60 0.08 0.65 -4.59 117.98 123.56 3ffv s PHE 1085Ca 0.20 0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.02 3ffv s PHE 1085Cb -0.03 -1.81 0.10 0.00 -0.57 0.00 0.00 43.02 40.71 3ffv s PHE 1085CO 0.12 0.34 1.03 0.00 -0.10 0.00 0.00 175.22 176.61 3ffv s ALA 1086N -0.60 -1.89 0.70 5.36 0.00 0.46 -1.54 121.76 124.25 3ffv s ALA 1086Ca 0.10 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.82 3ffv s ALA 1086Cb -0.12 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.44 3ffv s ALA 1086CO 0.02 -0.83 1.00 0.20 0.00 0.00 0.00 175.76 176.15 3ffv s GLY 1087N -2.64 1.72 0.62 0.00 0.00 -1.26 -3.35 107.32 102.41 3ffv s GLY 1087Ca 0.09 -1.05 -0.16 0.00 0.00 0.00 0.00 44.72 43.60 3ffv s GLY 1087CO -0.04 -0.63 1.11 0.99 0.00 0.00 0.00 173.10 174.53 3ffv s ASP 1088N -4.54 5.30 -0.05 1.64 1.01 -1.26 -4.66 116.67 114.10 3ffv s ASP 1088Ca 0.61 2.04 0.02 0.00 0.71 0.00 0.00 52.55 55.93 3ffv s ASP 1088Cb -0.10 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.28 3ffv s ASP 1088CO 0.44 -1.50 -0.11 -0.04 0.21 0.00 0.00 175.17 174.17 3ffv s MET 1089N -3.87 1.49 0.10 8.23 -1.94 -0.64 -4.94 119.30 117.71 3ffv s MET 1089Ca 0.68 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.99 3ffv s MET 1089Cb -0.21 -1.27 -0.05 0.00 2.01 0.00 0.00 34.83 35.31 3ffv s MET 1089CO 0.37 0.04 0.97 -1.01 -0.01 0.00 0.00 175.02 175.38 3ffv s HIS 1090N 0.58 3.78 0.37 -0.03 3.76 -1.26 -0.07 115.29 122.42 3ffv s HIS 1090Ca -0.12 1.78 -0.03 0.00 -0.15 0.00 0.00 55.06 56.54 3ffv s HIS 1090Cb -0.14 -3.07 0.01 0.00 1.11 0.00 0.00 32.58 30.49 3ffv s HIS 1090CO 0.03 0.15 0.53 0.00 -0.85 0.00 0.00 174.74 174.60 3ffv s ALA 1091N 0.15 0.65 -0.03 -1.40 0.00 -0.38 -1.49 121.76 119.26 3ffv s ALA 1091Ca 0.48 -1.47 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 3ffv s ALA 1091Cb -0.23 1.09 0.03 0.00 0.00 0.00 0.00 23.12 24.01 3ffv s ALA 1091CO 0.30 -0.82 0.02 -1.14 0.00 0.00 0.00 175.76 174.12 3ffv s GLN 1092N -2.80 0.11 -0.56 0.00 0.74 0.26 -1.16 119.66 116.24 3ffv s GLN 1092Ca 0.29 0.18 -0.09 0.00 0.05 0.00 0.00 55.36 55.79 3ffv s GLN 1092Cb -0.01 -0.42 0.14 0.00 1.10 0.00 0.00 33.01 33.82 3ffv s GLN 1092CO 0.21 -0.20 0.44 0.12 -0.55 0.00 0.00 175.29 175.30 3ffv s PHE 1093N 1.32 3.48 0.00 1.67 5.36 0.58 -2.10 117.98 128.29 3ffv s PHE 1093Ca -0.06 -2.07 0.00 0.00 -0.96 0.00 0.00 56.93 53.84 3ffv s PHE 1093Cb -0.13 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 3ffv s PHE 1093CO -0.03 -0.96 0.00 0.41 -1.46 0.00 0.00 175.22 173.18 3ffv n GLY 1094N 4.46 2.59 0.64 13.12 0.00 -1.26 -1.63 105.19 123.10 3ffv n GLY 1094Ca -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.93 3ffv n GLY 1094CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ffv n ASP 1095N 9.54 2.30 -4.65 1.61 8.00 -1.26 -4.93 116.55 127.16 3ffv n ASP 1095Ca 0.00 -1.65 -0.42 0.00 0.71 0.00 0.00 54.79 53.43 3ffv n ASP 1095Cb 0.00 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 3ffv n ASP 1095CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ffv s ILE 1096N -1.61 4.78 -0.05 0.53 1.01 -0.64 -5.03 121.20 120.19 3ffv s ILE 1096Ca 0.19 1.75 -0.17 0.00 0.00 0.00 0.00 60.65 62.42 3ffv s ILE 1096Cb 0.15 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3ffv s ILE 1096CO 0.27 -0.10 0.46 -0.54 0.00 0.00 0.00 174.94 175.04 3ffv s LYS 1097N 2.88 4.17 0.32 2.79 1.02 -1.26 -0.31 119.74 129.36 3ffv s LYS 1097Ca 0.39 0.48 -0.05 0.00 0.02 0.00 0.00 55.97 56.80 3ffv s LYS 1097Cb -0.15 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 3ffv s LYS 1097CO 0.08 0.42 0.48 -0.48 -0.92 0.00 0.00 175.35 174.93 3ffv s LEU 1098N -0.25 0.83 -0.21 3.17 0.05 -0.31 -3.82 118.68 118.15 3ffv s LEU 1098Ca 0.25 -1.36 -0.01 0.00 0.05 0.00 0.00 54.13 53.06 3ffv s LEU 1098Cb -0.16 1.56 0.06 0.00 -2.05 0.00 0.00 46.19 45.59 3ffv s LEU 1098CO 0.13 -1.27 0.00 -0.89 -0.55 0.00 0.00 176.35 173.76 3ffv s THR 1099N -3.23 0.91 0.01 5.48 2.01 -0.76 -1.25 115.64 118.81 3ffv s THR 1099Ca 0.28 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 3ffv s THR 1099Cb -0.00 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 3ffv s THR 1099CO 0.17 -0.16 1.35 -0.22 -0.69 0.00 0.00 174.62 175.08 3ffv s LEU 1100N 1.68 4.32 0.26 4.42 2.96 0.90 -1.86 118.68 131.36 3ffv s LEU 1100Ca -0.03 2.09 -0.22 0.00 -0.22 0.00 0.00 54.13 55.75 3ffv s LEU 1100Cb -0.18 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.86 3ffv s LEU 1100CO -0.07 -0.67 0.80 -0.76 -1.32 0.00 0.00 176.35 174.33 3ffv s LEU 1101N 2.10 4.33 0.27 -0.68 1.43 0.70 -1.63 118.68 125.20 3ffv s LEU 1101Ca 0.62 1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 55.27 3ffv s LEU 1101Cb -0.31 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.14 3ffv s LEU 1101CO 0.27 -0.01 0.31 -1.10 0.23 0.00 0.00 176.35 176.05 3ffv s GLN 1102N -2.03 1.56 -0.34 1.70 -1.52 -1.26 -4.92 119.66 112.84 3ffv s GLN 1102Ca 0.46 -1.68 -0.13 0.00 -1.95 0.00 0.00 55.36 52.06 3ffv s GLN 1102Cb -0.17 0.36 -0.02 0.00 -0.22 0.00 0.00 33.01 32.96 3ffv s GLN 1102CO 0.22 -0.59 0.24 0.99 -0.25 0.00 0.00 175.29 175.90 3ffv s THR 1103N -3.71 5.29 0.14 -0.19 2.01 -1.26 -4.86 115.64 113.07 3ffv s THR 1103Ca 0.34 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.14 3ffv s THR 1103Cb 0.03 -3.72 -0.18 0.00 0.01 0.00 0.00 72.50 68.63 3ffv s THR 1103CO 0.17 -0.02 1.33 -0.25 -0.69 0.00 0.00 174.62 175.15 3ffv h TRP 1104N 8.50 0.26 -2.58 4.92 -0.00 -1.89 0.13 115.95 125.29 3ffv h TRP 1104Ca -0.31 -0.16 0.14 0.00 -0.00 0.00 0.00 58.89 58.56 3ffv h TRP 1104Cb 1.16 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 30.26 3ffv h TRP 1104CO 0.66 1.02 0.53 -1.54 -0.00 0.00 0.00 178.44 179.11 3ffv s SER 1105N -6.92 -0.02 0.18 2.65 1.04 -1.26 -4.37 113.70 105.00 3ffv s SER 1105Ca -0.02 -0.72 -0.13 0.00 0.48 0.00 0.00 55.95 55.56 3ffv s SER 1105Cb 0.10 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.86 3ffv s SER 1105CO 0.83 -1.09 1.85 -0.33 0.98 0.00 0.00 173.24 175.48 3ffv h GLU 1106N 2.00 0.75 -0.67 4.02 5.08 -1.94 -1.55 114.58 122.28 3ffv h GLU 1106Ca -0.28 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 3ffv h GLU 1106Cb 1.22 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3ffv h GLU 1106CO 0.35 0.50 0.17 0.22 -1.00 0.00 0.00 179.01 179.25 3ffv h ASP 1107N 0.77 0.98 0.27 1.42 3.58 -1.96 -2.45 116.42 119.03 3ffv h ASP 1107Ca 0.22 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 3ffv h ASP 1107Cb -0.07 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.71 3ffv h ASP 1107CO -0.06 0.94 -0.26 -0.78 -2.88 0.00 0.00 179.24 176.20 3ffv h ASP 1108N 1.00 0.00 -0.23 2.28 3.58 -1.81 -2.41 116.42 118.83 3ffv h ASP 1108Ca 0.21 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.70 3ffv h ASP 1108Cb 0.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 3ffv h ASP 1108CO -0.00 0.26 0.16 0.15 -2.88 0.00 0.00 179.24 176.93 3ffv h PHE 1109N 0.00 0.15 -0.63 0.28 3.57 -0.79 0.13 116.94 119.65 3ffv h PHE 1109Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3ffv h PHE 1109Cb 0.46 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3ffv h PHE 1109CO 0.00 0.09 0.11 0.00 -2.23 0.00 0.00 178.31 176.28 3ffv h ARG 1110N 0.16 1.02 -0.39 1.11 3.08 -1.49 -1.52 114.38 116.35 3ffv h ARG 1110Ca 0.10 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 3ffv h ARG 1110Cb 0.20 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3ffv h ARG 1110CO -0.02 0.93 0.08 -0.09 -1.07 0.00 0.00 179.97 179.80 3ffv h ARG 1111N 0.96 0.63 -0.11 0.04 2.43 -0.89 -1.42 114.38 116.02 3ffv h ARG 1111Ca 0.20 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3ffv h ARG 1111Cb 0.40 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3ffv h ARG 1111CO 0.01 0.68 -0.20 0.28 -1.51 0.00 0.00 179.97 179.22 3ffv h VAL 1112N 0.49 0.50 -0.39 0.20 2.07 -0.81 -0.55 116.25 117.75 3ffv h VAL 1112Ca 0.12 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 3ffv h VAL 1112Cb 0.34 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3ffv h VAL 1112CO 0.00 0.00 -0.12 1.56 0.02 0.00 0.00 177.57 179.03 3ffv h GLN 1113N -0.26 0.69 -0.65 1.57 4.20 -1.20 -1.21 115.11 118.26 3ffv h GLN 1113Ca 0.09 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 3ffv h GLN 1113Cb 0.40 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3ffv h GLN 1113CO -0.27 0.79 0.10 1.49 -0.67 0.00 0.00 178.83 180.28 3ffv h GLU 1114N 0.63 1.07 -0.40 1.46 4.81 -0.95 -1.00 114.58 120.19 3ffv h GLU 1114Ca 0.11 -0.28 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 3ffv h GLU 1114Cb 0.58 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3ffv h GLU 1114CO 0.04 0.98 -0.31 -0.91 -0.73 0.00 0.00 179.01 178.07 3ffv h ASN 1115N 1.00 0.94 -0.40 1.04 2.35 -0.80 -0.77 115.58 118.94 3ffv h ASN 1115Ca 0.20 -0.40 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 3ffv h ASN 1115Cb 0.44 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3ffv h ASN 1115CO 0.01 1.17 0.14 -0.07 -1.65 0.00 0.00 177.43 177.04 3ffv h LEU 1116N 0.76 0.57 -0.42 1.61 3.38 -1.00 -1.66 115.31 118.54 3ffv h LEU 1116Ca 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3ffv h LEU 1116Cb 0.89 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3ffv h LEU 1116CO 0.08 0.61 0.19 0.40 0.09 0.00 0.00 178.44 179.81 3ffv h ILE 1117N 0.51 1.19 -0.97 1.22 2.04 -1.12 -2.11 117.51 118.26 3ffv h ILE 1117Ca 0.13 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.49 3ffv h ILE 1117Cb 0.23 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 3ffv h ILE 1117CO -0.01 0.20 0.63 1.23 0.00 0.00 0.00 178.15 180.21 3ffv h GLY 1118N 0.54 1.42 0.73 5.37 0.00 -0.91 -1.45 103.07 108.78 3ffv h GLY 1118Ca 0.14 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3ffv h GLY 1118CO -0.02 0.41 -0.07 0.84 0.00 0.00 0.00 176.54 177.70 3ffv h HIS 1119N 1.22 0.33 -0.84 5.60 -0.00 -1.13 -2.73 115.15 117.60 3ffv h HIS 1119Ca 0.39 -0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.72 3ffv h HIS 1119Cb 0.02 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.30 3ffv h HIS 1119CO -0.01 0.62 0.55 -0.07 -0.00 0.00 0.00 177.93 179.02 3ffv h LEU 1120N -0.06 0.88 -0.37 0.26 3.38 -1.15 -1.90 115.31 116.36 3ffv h LEU 1120Ca 0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3ffv h LEU 1120Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3ffv h LEU 1120CO 0.02 0.60 -0.15 0.58 0.09 0.00 0.00 178.44 179.58 3ffv h VAL 1121N 1.02 1.28 -0.29 1.22 2.07 -1.21 -1.69 116.25 118.64 3ffv h VAL 1121Ca 0.34 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 3ffv h VAL 1121Cb 0.07 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3ffv h VAL 1121CO -0.10 0.42 -0.27 0.74 0.02 0.00 0.00 177.57 178.38 3ffv h THR 1122N 0.54 1.27 -0.48 2.57 2.02 -1.24 -1.89 112.91 115.71 3ffv h THR 1122Ca 0.08 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 3ffv h THR 1122Cb 0.69 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3ffv h THR 1122CO 0.05 0.43 0.22 1.56 0.37 0.00 0.00 175.52 178.15 3ffv h GLN 1123N 0.51 0.69 -0.65 6.66 4.20 -1.24 -2.33 115.11 122.95 3ffv h GLN 1123Ca 0.07 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.72 3ffv h GLN 1123Cb 0.72 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 3ffv h GLN 1123CO 0.06 0.59 0.38 -0.22 -0.67 0.00 0.00 178.83 178.97 3ffv h LYS 1124N 0.62 0.70 -0.56 1.46 1.63 -1.09 0.28 116.57 119.61 3ffv h LYS 1124Ca 0.16 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.97 3ffv h LYS 1124Cb 0.13 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.56 3ffv h LYS 1124CO -0.02 0.46 0.30 -0.09 -3.45 0.00 0.00 179.45 176.65 3ffv h ARG 1125N 0.72 0.55 -0.39 1.90 2.43 -0.94 -2.08 114.38 116.58 3ffv h ARG 1125Ca 0.28 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3ffv h ARG 1125Cb 0.11 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3ffv h ARG 1125CO -0.15 0.36 0.00 1.28 -1.51 0.00 0.00 179.97 179.96 3ffv n LEU 1126N -4.85 2.30 -1.68 3.80 4.77 -0.91 -4.94 117.00 115.49 3ffv n LEU 1126Ca 0.06 -1.11 -0.14 0.00 -0.03 0.00 0.00 56.01 54.80 3ffv n LEU 1126Cb 0.15 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3ffv n LEU 1126CO 0.29 0.55 -0.11 0.29 -1.33 0.00 0.00 177.39 177.09 3ffv n LYS 1127N 0.75 -1.81 -3.57 3.23 4.76 -0.33 -5.02 118.16 116.17 3ffv n LYS 1127Ca 0.15 0.62 -0.35 0.00 -2.87 0.00 0.00 58.31 55.86 3ffv n LYS 1127Cb 0.38 -4.83 -0.05 0.00 -1.84 0.00 0.00 35.03 28.69 3ffv n LYS 1127CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ffv s LEU 1128N -4.02 4.35 0.48 -0.35 1.43 0.84 -4.99 118.68 116.41 3ffv s LEU 1128Ca 0.07 0.80 -0.24 0.00 -1.03 0.00 0.00 54.13 53.73 3ffv s LEU 1128Cb -0.03 -2.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.14 3ffv s LEU 1128CO 0.09 0.17 1.37 -2.84 0.23 0.00 0.00 176.35 175.37 3ffv s PRO 1129N -1.89 3.54 0.24 1.29 0.02 -1.26 -4.35 135.00 132.60 3ffv s PRO 1129Ca 0.33 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 3ffv s PRO 1129Cb -0.14 -2.51 -0.10 0.00 0.02 0.00 0.00 34.50 31.77 3ffv s PRO 1129CO 0.18 -0.88 1.40 -1.25 -0.33 0.00 0.00 177.00 176.11 3ffv s PRO 1130N -2.60 4.30 0.11 5.54 0.04 -1.26 -5.01 135.00 136.13 3ffv s PRO 1130Ca 0.64 2.23 -0.03 0.00 0.04 0.00 0.00 61.00 63.89 3ffv s PRO 1130Cb -0.41 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 3ffv s PRO 1130CO 0.51 -0.36 0.09 0.95 0.04 0.00 0.00 177.00 178.22 3ffv s THR 1131N -0.07 0.13 -0.15 1.26 -4.23 -1.26 -2.36 115.64 108.96 3ffv s THR 1131Ca 0.58 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3ffv s THR 1131Cb -0.40 -1.82 0.04 0.00 1.34 0.00 0.00 72.50 71.66 3ffv s THR 1131CO 0.43 -0.57 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.17 3ffv s LEU 1132N -2.99 1.14 0.41 4.79 1.43 -0.60 -4.74 118.68 118.12 3ffv s LEU 1132Ca 0.17 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 3ffv s LEU 1132Cb 0.07 -0.65 -0.11 0.00 0.03 0.00 0.00 46.19 45.53 3ffv s LEU 1132CO -0.02 -0.23 1.09 0.49 0.23 0.00 0.00 176.35 177.91 3ffv n PHE 1133N 5.02 1.49 0.00 0.29 0.99 -1.26 -1.16 117.46 122.83 3ffv n PHE 1133Ca -0.09 0.55 0.00 0.00 -0.00 0.00 0.00 57.45 57.91 3ffv n PHE 1133Cb 0.48 -2.28 0.00 0.00 -1.00 0.00 0.00 39.48 36.68 3ffv n PHE 1133CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 3ffv n ILE 1134N -0.33 0.00 -3.53 4.37 -5.35 -0.32 -4.85 119.36 109.35 3ffv n ILE 1134Ca 0.08 -0.03 -0.16 0.00 -0.27 0.00 0.00 62.75 62.37 3ffv n ILE 1134Cb 0.39 0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 38.59 3ffv n ILE 1134CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ffv s ALA 1135N -0.39 -1.80 0.33 -1.28 0.00 -0.97 -0.22 121.76 117.44 3ffv s ALA 1135Ca 0.00 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.38 3ffv s ALA 1135Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3ffv s ALA 1135CO 0.00 -0.37 0.34 0.95 0.00 0.00 0.00 175.76 176.68 3ffv s THR 1136N -1.27 3.73 0.52 0.00 -4.23 -0.78 -1.25 115.64 112.35 3ffv s THR 1136Ca -0.09 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 3ffv s THR 1136Cb -0.00 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.58 3ffv s THR 1136CO 0.07 -0.17 0.14 -0.76 -0.54 0.00 0.00 174.62 173.36 3ffv s LEU 1137N -4.04 2.47 0.19 4.79 1.02 -1.26 -1.83 118.68 120.02 3ffv s LEU 1137Ca 0.42 -1.49 -0.13 0.00 0.02 0.00 0.00 54.13 52.95 3ffv s LEU 1137Cb -0.07 -0.92 0.19 0.00 0.02 0.00 0.00 46.19 45.41 3ffv s LEU 1137CO 0.28 -0.92 1.72 -0.08 0.02 0.00 0.00 176.35 177.36 3ffv h GLU 1138N 1.16 0.22 -6.27 1.70 4.57 -1.92 -3.42 114.58 110.62 3ffv h GLU 1138Ca -0.42 -0.01 -0.48 0.00 -1.18 0.00 0.00 59.36 57.27 3ffv h GLU 1138Cb 1.31 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3ffv h GLU 1138CO 0.68 0.15 -0.31 -1.83 -1.18 0.00 0.00 179.01 176.52 3ffv s GLU 1139N -6.14 2.55 -0.19 1.92 1.03 -1.26 -5.04 118.70 111.56 3ffv s GLU 1139Ca -0.13 -1.53 0.15 0.00 0.03 0.00 0.00 54.97 53.49 3ffv s GLU 1139Cb 0.15 -2.47 0.78 0.00 -0.80 0.00 0.00 34.13 31.79 3ffv s GLU 1139CO 0.73 -0.33 1.70 0.39 -1.33 0.00 0.00 175.26 176.41 3ffv n GLU 1140N -1.72 4.48 0.06 -4.83 1.02 -1.26 -4.33 120.64 114.06 3ffv n GLU 1140Ca 0.05 -3.02 0.01 0.00 -0.02 0.00 0.00 57.16 54.19 3ffv n GLU 1140Cb 0.61 -2.14 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 3ffv n GLU 1140CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ffv h LEU 1141N 3.98 0.00 -8.57 -4.62 4.07 -1.96 -3.48 115.31 104.74 3ffv h LEU 1141Ca 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.71 3ffv h LEU 1141Cb 1.79 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 43.39 3ffv h LEU 1141CO 0.40 0.51 -0.66 -1.61 -1.08 0.00 0.00 178.44 176.00 3ffv s GLU 1142N -2.97 1.02 0.16 1.13 2.02 -1.26 -1.85 118.70 116.95 3ffv s GLU 1142Ca -0.01 -1.48 -0.08 0.00 0.02 0.00 0.00 54.97 53.41 3ffv s GLU 1142Cb 0.09 -0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 3ffv s GLU 1142CO 0.80 -0.14 0.26 0.14 0.02 0.00 0.00 175.26 176.33 3ffv s VAL 1143N -3.74 0.07 -0.16 2.63 -7.23 0.13 -4.03 120.40 108.06 3ffv s VAL 1143Ca 0.22 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.91 3ffv s VAL 1143Cb 0.06 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 3ffv s VAL 1143CO 0.02 -0.32 0.01 -0.63 -0.31 0.00 0.00 175.10 173.87 3ffv s ILE 1144N -3.97 4.32 0.32 -0.62 1.01 -0.38 0.17 121.20 122.04 3ffv s ILE 1144Ca 0.17 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.67 3ffv s ILE 1144Cb 0.04 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 3ffv s ILE 1144CO -0.00 0.49 0.23 -0.44 0.00 0.00 0.00 174.94 175.21 3ffv s SER 1145N 0.30 1.59 -0.29 3.58 0.01 0.17 -1.18 113.70 117.88 3ffv s SER 1145Ca -0.00 -1.68 -0.08 0.00 1.31 0.00 0.00 55.95 55.50 3ffv s SER 1145Cb -0.13 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 3ffv s SER 1145CO 0.02 -1.00 0.11 -0.69 0.41 0.00 0.00 173.24 172.09 3ffv s VAL 1146N -3.53 4.38 -0.32 3.43 1.01 -0.31 -0.44 120.40 124.61 3ffv s VAL 1146Ca 0.38 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3ffv s VAL 1146Cb 0.03 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 3ffv s VAL 1146CO 0.23 0.17 1.47 0.00 0.00 0.00 0.00 175.10 176.97 3ffv h ASN 1148N 10.51 0.00 0.57 0.00 -1.24 -1.79 0.11 115.58 123.75 3ffv h ASN 1148Ca -0.29 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.61 3ffv h ASN 1148Cb 1.12 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.16 3ffv h ASN 1148CO 1.04 0.01 -0.52 -0.07 -1.29 0.00 0.00 177.43 176.60 3ffv h LEU 1149N 0.00 0.00 0.00 0.34 3.38 -1.91 -3.39 115.31 113.74 3ffv h LEU 1149Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ffv h LEU 1149Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ffv h LEU 1149CO 0.00 0.52 -0.90 -1.54 0.09 0.00 0.00 178.44 176.61 3ffv n SER 1150N -3.85 4.50 0.00 -0.43 3.41 -1.11 -5.02 113.62 111.12 3ffv n SER 1150Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3ffv n SER 1150Cb 0.54 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 3ffv n SER 1150CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ffv n GLY 1151N 2.67 0.57 3.77 5.00 0.00 0.37 -5.06 105.19 112.53 3ffv n GLY 1151Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3ffv n GLY 1151CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ffv s GLU 1152N -0.82 2.43 -0.16 1.61 2.02 -1.25 -4.13 118.70 118.41 3ffv s GLU 1152Ca 0.00 1.21 -0.18 0.00 0.02 0.00 0.00 54.97 56.02 3ffv s GLU 1152Cb 0.00 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.28 3ffv s GLU 1152CO 0.00 -1.51 0.46 0.08 0.02 0.00 0.00 175.26 174.31 3ffv s VAL 1153N -2.77 5.18 0.07 2.63 1.01 -0.20 -1.32 120.40 125.00 3ffv s VAL 1153Ca 0.62 0.88 0.05 0.00 0.00 0.00 0.00 61.98 63.54 3ffv s VAL 1153Cb -0.18 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3ffv s VAL 1153CO 0.52 0.28 -0.14 0.00 0.00 0.00 0.00 175.10 175.76 3ffv s LYS 1155N -1.63 3.22 -0.14 0.00 2.20 0.30 -0.66 119.74 123.03 3ffv s LYS 1155Ca -0.02 -0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 54.91 3ffv s LYS 1155Cb -0.10 -3.97 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 3ffv s LYS 1155CO 0.02 -0.99 0.42 -2.00 -0.36 0.00 0.00 175.35 172.44 3ffv s GLU 1156N 2.64 4.30 -0.41 4.03 2.12 0.13 -2.10 118.70 129.42 3ffv s GLU 1156Ca 0.19 0.34 -0.18 0.00 0.36 0.00 0.00 54.97 55.68 3ffv s GLU 1156Cb -0.15 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.81 3ffv s GLU 1156CO 0.17 0.16 0.47 0.99 -0.54 0.00 0.00 175.26 176.50 3ffv s THR 1157N 0.66 5.05 0.22 -1.70 2.01 -0.89 -0.70 115.64 120.30 3ffv s THR 1157Ca 0.23 -0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.76 3ffv s THR 1157Cb -0.14 -4.03 -0.15 0.00 0.01 0.00 0.00 72.50 68.19 3ffv s THR 1157CO 0.08 -0.39 1.17 0.18 -0.69 0.00 0.00 174.62 174.98 3ffv n LEU 1158N 5.68 1.97 0.00 4.42 4.77 -0.77 -2.03 117.00 131.04 3ffv n LEU 1158Ca -0.06 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 3ffv n LEU 1158Cb 0.48 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 3ffv n LEU 1158CO 0.46 -1.14 0.00 0.61 -1.33 0.00 0.00 177.39 175.99 3ffv n GLY 1159N 1.79 0.62 3.38 -0.72 0.00 -1.26 -5.00 105.19 103.99 3ffv n GLY 1159Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 3ffv n GLY 1159CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ffv s THR 1160N -2.62 0.53 -2.11 2.61 -4.23 -0.86 -5.04 115.64 103.93 3ffv s THR 1160Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 3ffv s THR 1160Cb 0.00 -2.55 0.42 0.00 1.34 0.00 0.00 72.50 71.71 3ffv s THR 1160CO 0.00 0.00 1.39 0.54 -0.54 0.00 0.00 174.62 176.01 3ffv n ARG 1161N -0.63 2.03 -2.80 3.99 5.12 -1.26 -4.78 116.66 118.33 3ffv n ARG 1161Ca -0.01 -1.59 -0.42 0.00 -1.93 0.00 0.00 57.85 53.90 3ffv n ARG 1161Cb 0.65 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.54 3ffv n ARG 1161CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3ffv s LYS 1162N -1.48 4.16 -0.27 5.56 2.20 -1.26 -4.97 119.74 123.68 3ffv s LYS 1162Ca 0.32 1.03 -0.04 0.00 -0.36 0.00 0.00 55.97 56.92 3ffv s LYS 1162Cb 0.17 -3.66 0.09 0.00 -1.51 0.00 0.00 37.83 32.92 3ffv s LYS 1162CO 0.23 -0.61 0.12 1.03 -0.36 0.00 0.00 175.35 175.76 3ffv s ARG 1163N 3.05 0.19 0.10 4.03 3.00 -1.26 -2.10 118.95 125.96 3ffv s ARG 1163Ca 0.38 -0.48 -0.17 0.00 0.00 0.00 0.00 55.73 55.46 3ffv s ARG 1163Cb -0.15 -1.30 -0.07 0.00 0.00 0.00 0.00 34.95 33.44 3ffv s ARG 1163CO 0.08 -0.96 0.55 0.95 0.00 0.00 0.00 175.30 175.92 3ffv s THR 1164N 2.09 4.81 0.19 0.02 -4.23 -0.89 -4.80 115.64 112.82 3ffv s THR 1164Ca 0.08 1.03 -0.32 0.00 -1.18 0.00 0.00 61.69 61.31 3ffv s THR 1164Cb -0.16 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 69.75 3ffv s THR 1164CO -0.32 0.43 1.63 -2.28 -0.54 0.00 0.00 174.62 173.53 3ffv s HIS 1165N -1.26 2.98 -0.03 3.99 2.46 -1.26 -0.54 115.29 121.63 3ffv s HIS 1165Ca 0.32 0.54 -0.00 0.00 0.47 0.00 0.00 55.06 56.39 3ffv s HIS 1165Cb -0.17 -4.01 -0.02 0.00 -0.13 0.00 0.00 32.58 28.25 3ffv s HIS 1165CO 0.19 -3.76 -0.03 1.28 -2.47 0.00 0.00 174.74 169.95 3ffv n LEU 1166N 3.82 1.86 -3.66 8.88 4.77 -0.05 -4.85 117.00 127.76 3ffv n LEU 1166Ca 0.14 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 3ffv n LEU 1166Cb 0.37 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 3ffv n LEU 1166CO 0.62 0.35 0.18 0.00 -1.33 0.00 0.00 177.39 177.21 3ffv s ALA 1167N -2.05 -1.13 0.31 -1.18 0.00 -1.05 -5.00 121.76 111.65 3ffv s ALA 1167Ca -0.04 0.60 0.36 0.00 0.00 0.00 0.00 51.96 52.89 3ffv s ALA 1167Cb 0.01 0.14 1.70 0.00 0.00 0.00 0.00 23.12 24.97 3ffv s ALA 1167CO 0.06 -0.35 2.11 0.77 0.00 0.00 0.00 175.76 178.35 3ffv h SER 1168N 3.37 0.00 -5.12 0.00 0.02 -1.95 -0.50 113.55 109.38 3ffv h SER 1168Ca -0.29 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 60.81 3ffv h SER 1168Cb 1.18 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.61 3ffv h SER 1168CO 0.41 0.02 0.49 0.54 -1.14 0.00 0.00 176.83 177.14 3ffv s ASN 1169N -5.57 -0.24 0.17 3.07 2.20 -1.26 -4.11 114.94 109.19 3ffv s ASN 1169Ca -0.01 -0.27 -0.15 0.00 -0.94 0.00 0.00 52.86 51.49 3ffv s ASN 1169Cb 0.11 0.46 0.08 0.00 -2.00 0.00 0.00 41.25 39.89 3ffv s ASN 1169CO 0.51 -0.81 1.80 0.25 -2.94 0.00 0.00 177.10 175.90 3ffv h LEU 1170N 2.00 0.41 -0.28 3.54 5.85 -1.89 -2.39 115.31 122.55 3ffv h LEU 1170Ca -0.24 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3ffv h LEU 1170Cb 1.23 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3ffv h LEU 1170CO 0.27 0.29 0.16 0.00 -0.34 0.00 0.00 178.44 178.82 3ffv h ALA 1171N 1.21 0.35 -0.80 1.25 0.00 -1.88 -0.66 119.26 118.73 3ffv h ALA 1171Ca 0.19 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3ffv h ALA 1171Cb 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3ffv h ALA 1171CO -0.10 -0.22 0.50 1.49 0.00 0.00 0.00 179.25 180.93 3ffv h GLU 1172N 0.33 0.92 0.12 0.00 4.81 -1.91 -0.41 114.58 118.45 3ffv h GLU 1172Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ffv h GLU 1172Cb 0.01 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.18 3ffv h GLU 1172CO -0.06 0.61 -0.06 0.35 -0.73 0.00 0.00 179.01 179.12 3ffv h PHE 1173N 0.95 -0.15 -0.94 0.92 3.57 -1.05 -2.97 116.94 117.26 3ffv h PHE 1173Ca 0.34 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.90 3ffv h PHE 1173Cb 0.09 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3ffv h PHE 1173CO -0.04 0.08 0.61 -0.07 -2.23 0.00 0.00 178.31 176.67 3ffv h LEU 1174N -0.36 0.96 -1.81 0.59 3.38 -0.80 -1.05 115.31 116.22 3ffv h LEU 1174Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ffv h LEU 1174Cb 0.30 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ffv h LEU 1174CO 0.03 0.62 -0.12 0.78 0.09 0.00 0.00 178.44 179.84 3ffv h ASN 1175N 1.09 0.00 0.49 -0.43 2.35 -1.01 -2.54 115.58 115.53 3ffv h ASN 1175Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3ffv h ASN 1175Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3ffv h ASN 1175CO -0.16 0.12 -0.37 0.00 -1.65 0.00 0.00 177.43 175.37 3ffv n GLN 1176N -3.50 0.22 -2.48 0.81 6.02 -0.41 -4.92 117.38 113.11 3ffv n GLN 1176Ca -0.01 -0.11 -0.40 0.00 -0.01 0.00 0.00 57.00 56.46 3ffv n GLN 1176Cb 0.27 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 3ffv n GLN 1176CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ffv s LEU 1177N -2.86 4.54 -0.11 1.08 1.43 -0.96 -4.63 118.68 117.17 3ffv s LEU 1177Ca 0.15 2.24 0.02 0.00 -1.03 0.00 0.00 54.13 55.52 3ffv s LEU 1177Cb 0.18 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 3ffv s LEU 1177CO 0.63 -0.15 -0.19 -0.54 0.23 0.00 0.00 176.35 176.32 3ffv s LYS 1178N -1.26 3.15 0.61 1.70 1.02 -0.89 -4.94 119.74 119.13 3ffv s LYS 1178Ca 0.45 -0.79 -0.19 0.00 0.02 0.00 0.00 55.97 55.46 3ffv s LYS 1178Cb -0.32 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 3ffv s LYS 1178CO 0.40 0.22 1.19 -2.30 -0.92 0.00 0.00 175.35 173.94 3ffv n PRO 1179N 3.46 1.16 -4.18 -1.68 -0.02 -1.26 -0.58 135.00 131.91 3ffv n PRO 1179Ca -0.18 0.45 -0.26 0.00 -2.02 0.00 0.00 63.50 61.48 3ffv n PRO 1179Cb 0.53 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 3ffv n PRO 1179CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ffv s LEU 1180N -3.32 1.41 0.00 2.45 2.96 -0.55 -4.69 118.68 116.93 3ffv s LEU 1180Ca 0.78 -0.32 0.20 0.00 -0.22 0.00 0.00 54.13 54.58 3ffv s LEU 1180Cb -0.40 -0.86 0.16 0.00 0.50 0.00 0.00 46.19 45.59 3ffv s LEU 1180CO 0.45 -0.05 1.15 0.18 -1.32 0.00 0.00 176.35 176.75