#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fk8 s SER 1002N 0.00 5.63 -0.08 6.12 0.15 -1.26 -4.96 113.70 119.29 1fk8 s SER 1002Ca 0.00 -2.33 -0.19 0.00 0.70 0.00 0.00 55.95 54.13 1fk8 s SER 1002Cb 0.00 -1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1fk8 s SER 1002CO 0.00 -0.55 0.53 -0.63 1.20 0.00 0.00 173.24 173.79 1fk8 s ILE 1003N 0.73 5.10 -0.10 6.45 1.01 -1.26 -0.92 121.20 132.21 1fk8 s ILE 1003Ca 0.11 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.86 1fk8 s ILE 1003Cb -0.22 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.40 1fk8 s ILE 1003CO -0.03 0.34 -0.12 -0.63 0.00 0.00 0.00 174.94 174.51 1fk8 s ILE 1004N 0.41 1.23 -0.08 2.92 1.01 -0.55 -0.02 121.20 126.11 1fk8 s ILE 1004Ca 0.29 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 1fk8 s ILE 1004Cb -0.16 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1fk8 s ILE 1004CO 0.13 0.39 0.52 -0.69 0.00 0.00 0.00 174.94 175.29 1fk8 s VAL 1005N 1.17 5.10 -0.15 2.92 1.01 -0.29 -1.87 120.40 128.30 1fk8 s VAL 1005Ca -0.04 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 1fk8 s VAL 1005Cb -0.14 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1fk8 s VAL 1005CO -0.03 0.35 -0.03 -0.63 0.00 0.00 0.00 175.10 174.76 1fk8 s ILE 1006N 0.36 0.91 0.34 2.22 1.01 -0.50 -0.57 121.20 124.97 1fk8 s ILE 1006Ca 0.28 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 1fk8 s ILE 1006Cb -0.16 -1.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.12 1fk8 s ILE 1006CO 0.13 0.11 0.68 -0.94 0.00 0.00 0.00 174.94 174.91 1fk8 s SER 1007N 1.72 6.53 -1.29 3.58 1.04 -0.66 -0.58 113.70 124.04 1fk8 s SER 1007Ca 0.01 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1fk8 s SER 1007Cb -0.15 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1fk8 s SER 1007CO -0.07 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1fk8 n GLY 1008N -0.99 -0.02 0.16 7.32 0.00 0.53 -1.98 105.19 110.21 1fk8 n GLY 1008Ca 0.01 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1fk8 n GLY 1008CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fk8 h ALA 1010N 2.27 1.18 -4.48 0.00 0.00 -1.80 -2.98 119.26 113.45 1fk8 h ALA 1010Ca 0.00 -0.24 -0.38 0.00 0.00 0.00 0.00 54.91 54.28 1fk8 h ALA 1010Cb 0.57 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1fk8 h ALA 1010CO 0.00 0.54 -0.31 0.25 0.00 0.00 0.00 179.25 179.73 1fk8 n THR 1011N -4.24 0.00 -0.86 0.00 -2.24 -1.25 -4.72 114.28 100.97 1fk8 n THR 1011Ca 0.02 -2.13 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 1fk8 n THR 1011Cb 0.28 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1fk8 n THR 1011CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fk8 n GLY 1012N -0.61 2.62 0.34 3.38 0.00 -1.26 -1.67 105.19 107.99 1fk8 n GLY 1012Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1fk8 n GLY 1012CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fk8 h ILE 1013N 0.00 1.22 -0.83 -0.61 2.04 -1.88 -1.30 117.51 116.16 1fk8 h ILE 1013Ca 0.00 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1fk8 h ILE 1013Cb 0.00 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1fk8 h ILE 1013CO 0.00 0.25 0.46 1.23 0.00 0.00 0.00 178.15 180.09 1fk8 h GLY 1014N 1.08 1.23 0.95 5.37 0.00 -1.51 0.24 103.07 110.43 1fk8 h GLY 1014Ca 0.26 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1fk8 h GLY 1014CO -0.04 0.52 -0.25 0.00 0.00 0.00 0.00 176.54 176.78 1fk8 h ALA 1015N 1.25 0.42 -0.22 3.60 0.00 -0.79 -1.50 119.26 122.03 1fk8 h ALA 1015Ca 0.29 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1fk8 h ALA 1015Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1fk8 h ALA 1015CO -0.05 0.40 -0.29 0.00 0.00 0.00 0.00 179.25 179.31 1fk8 h ALA 1016N 0.72 1.10 -0.37 0.00 0.00 -1.00 -2.18 119.26 117.53 1fk8 h ALA 1016Ca 0.05 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 1fk8 h ALA 1016Cb 0.80 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1fk8 h ALA 1016CO 0.06 0.56 -0.42 1.15 0.00 0.00 0.00 179.25 180.60 1fk8 h THR 1017N 0.37 1.27 -0.51 0.00 2.02 -0.44 -1.61 112.91 114.02 1fk8 h THR 1017Ca 0.05 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.64 1fk8 h THR 1017Cb 0.70 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1fk8 h THR 1017CO 0.05 0.53 0.33 -0.09 0.37 0.00 0.00 175.52 176.72 1fk8 h ARG 1018N 0.75 0.66 -0.11 6.66 2.43 -1.06 -0.39 114.38 123.32 1fk8 h ARG 1018Ca 0.05 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1fk8 h ARG 1018Cb 1.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1fk8 h ARG 1018CO 0.10 0.44 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.74 1fk8 h LYS 1019N 0.68 -0.02 -0.35 0.20 3.64 -1.21 0.62 116.57 120.13 1fk8 h LYS 1019Ca 0.19 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 1fk8 h LYS 1019Cb -0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1fk8 h LYS 1019CO -0.05 -0.01 -0.35 -0.24 -2.27 0.00 0.00 179.45 176.53 1fk8 h VAL 1020N -0.02 1.28 -0.00 2.00 3.04 -1.08 -1.74 116.25 119.72 1fk8 h VAL 1020Ca 0.06 -1.52 -0.13 0.00 -1.01 0.00 0.00 66.70 64.11 1fk8 h VAL 1020Cb 0.10 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 1fk8 h VAL 1020CO -0.12 0.50 -0.59 -0.07 -1.01 0.00 0.00 177.57 176.27 1fk8 h LEU 1021N 0.67 0.02 -0.55 3.16 3.38 -0.92 -2.60 115.31 118.46 1fk8 h LEU 1021Ca 0.06 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1fk8 h LEU 1021Cb 0.90 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1fk8 h LEU 1021CO 0.08 0.61 -0.64 -0.33 0.09 0.00 0.00 178.44 178.24 1fk8 h GLU 1022N 0.01 0.32 0.00 1.13 5.08 -0.74 -2.17 114.58 118.22 1fk8 h GLU 1022Ca -0.01 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1fk8 h GLU 1022Cb 1.05 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1fk8 h GLU 1022CO 0.08 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.95 1fk8 h ALA 1023N 1.08 1.00 -0.05 3.43 0.00 -0.95 -0.88 119.26 122.89 1fk8 h ALA 1023Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fk8 h ALA 1023Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1fk8 h ALA 1023CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1fk8 n ALA 1024N -1.89 2.52 -0.38 0.00 0.00 -0.95 -4.94 120.51 114.87 1fk8 n ALA 1024Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1fk8 n ALA 1024Cb 0.21 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1fk8 n ALA 1024CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fk8 n GLY 1025N 1.26 0.77 3.89 0.00 0.00 -0.34 -5.08 105.19 105.69 1fk8 n GLY 1025Ca 0.17 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1fk8 n GLY 1025CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fk8 s HIS 1026N -2.00 3.49 -0.22 1.61 3.76 -0.86 -4.74 115.29 116.33 1fk8 s HIS 1026Ca 0.00 0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 55.35 1fk8 s HIS 1026Cb 0.00 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 1fk8 s HIS 1026CO 0.00 0.46 0.30 -1.14 -0.85 0.00 0.00 174.74 173.51 1fk8 s GLN 1027N -2.51 4.12 -0.16 1.40 0.74 -0.10 -4.40 119.66 118.75 1fk8 s GLN 1027Ca 0.39 -0.01 -0.08 0.00 0.05 0.00 0.00 55.36 55.71 1fk8 s GLN 1027Cb -0.12 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 1fk8 s GLN 1027CO 0.23 -0.02 0.12 0.42 -0.55 0.00 0.00 175.29 175.49 1fk8 s ILE 1028N 1.27 5.30 -0.39 -2.34 -1.09 -1.26 -1.49 121.20 121.21 1fk8 s ILE 1028Ca 0.14 0.14 -0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1fk8 s ILE 1028Cb -0.14 -3.36 0.10 0.00 -1.58 0.00 0.00 42.46 37.48 1fk8 s ILE 1028CO 0.07 0.52 0.16 -0.69 -1.23 0.00 0.00 174.94 173.77 1fk8 s VAL 1029N -0.23 3.10 0.38 2.92 1.01 -0.78 -4.93 120.40 121.86 1fk8 s VAL 1029Ca 0.10 -2.03 -0.09 0.00 0.00 0.00 0.00 61.98 59.96 1fk8 s VAL 1029Cb -0.12 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1fk8 s VAL 1029CO 0.01 -0.62 0.71 -0.83 0.00 0.00 0.00 175.10 174.37 1fk8 s GLY 1030N 1.62 1.89 -0.09 4.51 0.00 -1.26 -1.41 107.32 112.57 1fk8 s GLY 1030Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 1fk8 s GLY 1030CO -0.04 -0.15 -0.05 -0.42 0.00 0.00 0.00 173.10 172.44 1fk8 s ILE 1031N -2.32 0.77 0.15 0.90 1.01 0.25 -0.60 121.20 121.35 1fk8 s ILE 1031Ca 0.49 -0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.77 1fk8 s ILE 1031Cb -0.10 -0.83 0.08 0.00 0.01 0.00 0.00 42.46 41.61 1fk8 s ILE 1031CO 0.32 0.32 1.07 -0.62 0.00 0.00 0.00 174.94 176.03 1fk8 s ASP 1032N 1.73 -0.03 0.00 3.58 3.68 -0.80 -0.34 116.67 124.49 1fk8 s ASP 1032Ca 0.03 -0.55 0.28 0.00 2.13 0.00 0.00 52.55 54.45 1fk8 s ASP 1032Cb -0.13 0.44 1.22 0.00 -1.45 0.00 0.00 42.92 43.01 1fk8 s ASP 1032CO -0.06 -0.86 1.92 2.30 0.13 0.00 0.00 175.17 178.59 1fk8 n ILE 1033N -0.67 0.04 -3.58 4.11 -6.64 -1.21 -0.48 119.36 110.92 1fk8 n ILE 1033Ca -0.03 0.01 -0.07 0.00 -1.77 0.00 0.00 62.75 60.89 1fk8 n ILE 1033Cb 0.60 -0.52 -0.02 0.00 -1.44 0.00 0.00 39.64 38.26 1fk8 n ILE 1033CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1fk8 s ARG 1034N -2.99 1.03 -1.39 6.28 1.70 -1.26 -4.76 118.95 117.56 1fk8 s ARG 1034Ca 0.14 -0.46 -0.02 0.00 -0.47 0.00 0.00 55.73 54.92 1fk8 s ARG 1034Cb 0.19 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 35.00 1fk8 s ARG 1034CO 0.52 -0.46 0.57 -3.47 -1.08 0.00 0.00 175.30 171.38 1fk8 n ASP 1035N -0.34 -1.02 -3.75 -2.89 -0.08 -1.26 -4.54 116.55 102.66 1fk8 n ASP 1035Ca -0.09 -0.93 -0.13 0.00 -1.51 0.00 0.00 54.79 52.14 1fk8 n ASP 1035Cb 0.62 -3.45 -0.08 0.00 2.34 0.00 0.00 41.12 40.55 1fk8 n ASP 1035CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fk8 s ALA 1036N -3.79 -0.78 0.38 -1.67 0.00 -1.26 -4.50 121.76 110.15 1fk8 s ALA 1036Ca 0.08 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.38 1fk8 s ALA 1036Cb -0.04 0.13 0.76 0.00 0.00 0.00 0.00 23.12 23.97 1fk8 s ALA 1036CO 0.86 -0.30 1.95 0.93 0.00 0.00 0.00 175.76 179.20 1fk8 h GLU 1037N 3.70 0.40 -4.76 0.00 3.07 -1.90 -3.36 114.58 111.72 1fk8 h GLU 1037Ca -0.30 -0.07 -0.68 0.00 -0.50 0.00 0.00 59.36 57.82 1fk8 h GLU 1037Cb 1.18 -0.07 -0.35 0.00 -0.84 0.00 0.00 28.75 28.67 1fk8 h GLU 1037CO 0.41 0.41 -0.72 0.08 -1.40 0.00 0.00 179.01 177.80 1fk8 s VAL 1038N -5.01 2.64 -0.22 3.13 1.01 0.23 -4.97 120.40 117.20 1fk8 s VAL 1038Ca -0.07 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 59.98 1fk8 s VAL 1038Cb 0.16 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1fk8 s VAL 1038CO 0.74 -0.21 0.84 -0.63 0.00 0.00 0.00 175.10 175.84 1fk8 s ILE 1039N 1.14 4.84 0.02 2.22 -1.09 -1.26 -1.90 121.20 125.17 1fk8 s ILE 1039Ca -0.03 1.61 -0.23 0.00 -2.23 0.00 0.00 60.65 59.77 1fk8 s ILE 1039Cb -0.20 -4.13 0.05 0.00 -1.58 0.00 0.00 42.46 36.60 1fk8 s ILE 1039CO -0.04 -0.05 0.53 0.00 -1.23 0.00 0.00 174.94 174.15 1fk8 s ALA 1040N 2.67 -1.37 -0.32 9.38 0.00 0.37 -4.92 121.76 127.57 1fk8 s ALA 1040Ca 0.36 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1fk8 s ALA 1040Cb -0.16 0.27 0.06 0.00 0.00 0.00 0.00 23.12 23.29 1fk8 s ALA 1040CO 0.09 -0.45 0.04 0.34 0.00 0.00 0.00 175.76 175.77 1fk8 s ASP 1041N -1.74 4.97 0.00 0.00 3.68 -1.26 -3.28 116.67 119.04 1fk8 s ASP 1041Ca -0.07 -1.38 0.13 0.00 2.13 0.00 0.00 52.55 53.36 1fk8 s ASP 1041Cb -0.01 -1.74 0.72 0.00 -1.45 0.00 0.00 42.92 40.44 1fk8 s ASP 1041CO 0.01 -0.30 1.47 0.18 0.13 0.00 0.00 175.17 176.66 1fk8 n LEU 1042N 4.63 0.23 0.00 -1.34 4.77 -1.26 -3.77 117.00 120.26 1fk8 n LEU 1042Ca -0.11 -0.10 0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1fk8 n LEU 1042Cb 0.43 -0.02 0.58 0.00 -2.33 0.00 0.00 43.42 42.08 1fk8 n LEU 1042CO 0.28 0.05 0.92 -1.54 -1.33 0.00 0.00 177.39 175.77 1fk8 n SER 1043N -0.55 0.00 -4.26 -1.43 3.41 -1.26 -4.11 113.62 105.42 1fk8 n SER 1043Ca 0.10 0.38 -0.19 0.00 -0.26 0.00 0.00 58.87 58.90 1fk8 n SER 1043Cb 0.08 -0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 1fk8 n SER 1043CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1fk8 s THR 1044N -2.91 1.43 0.21 6.66 -4.23 -1.25 -4.75 115.64 110.80 1fk8 s THR 1044Ca 0.15 -1.75 -0.09 0.00 -1.18 0.00 0.00 61.69 58.82 1fk8 s THR 1044Cb 0.17 -1.59 0.17 0.00 1.34 0.00 0.00 72.50 72.59 1fk8 s THR 1044CO 0.46 -0.39 1.84 0.00 -0.54 0.00 0.00 174.62 176.00 1fk8 h ALA 1045N 3.49 1.02 -0.10 3.99 0.00 -1.91 -1.81 119.26 123.93 1fk8 h ALA 1045Ca -0.40 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1fk8 h ALA 1045Cb 1.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1fk8 h ALA 1045CO 0.50 0.51 -0.41 1.49 0.00 0.00 0.00 179.25 181.34 1fk8 h GLU 1046N 1.10 0.22 -0.46 0.00 4.57 -1.96 -1.46 114.58 116.59 1fk8 h GLU 1046Ca 0.28 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.28 1fk8 h GLU 1046Cb -0.00 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1fk8 h GLU 1046CO -0.05 0.60 -0.02 0.78 -1.18 0.00 0.00 179.01 179.14 1fk8 h GLY 1047N 1.22 0.88 0.77 1.92 0.00 -1.59 -1.72 103.07 104.56 1fk8 h GLY 1047Ca 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1fk8 h GLY 1047CO 0.06 0.61 -0.04 3.21 0.00 0.00 0.00 176.54 180.39 1fk8 h ARG 1048N 0.66 0.30 -0.63 4.80 3.08 -1.19 -0.54 114.38 120.87 1fk8 h ARG 1048Ca 0.13 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1fk8 h ARG 1048Cb 0.53 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 1fk8 h ARG 1048CO 0.03 0.58 0.28 0.87 -1.07 0.00 0.00 179.97 180.66 1fk8 h LYS 1049N 0.01 0.48 -0.46 0.04 6.56 -1.23 0.60 116.57 122.57 1fk8 h LYS 1049Ca 0.04 -0.03 -0.12 0.00 -1.06 0.00 0.00 60.65 59.48 1fk8 h LYS 1049Cb 0.47 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 1fk8 h LYS 1049CO 0.02 0.32 -0.20 0.37 -2.06 0.00 0.00 179.45 177.90 1fk8 h GLN 1050N 0.50 0.95 -0.75 3.15 5.75 -1.24 -1.78 115.11 121.67 1fk8 h GLN 1050Ca 0.31 -0.40 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1fk8 h GLN 1050Cb 0.33 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 1fk8 h GLN 1050CO -0.27 1.07 0.38 0.00 -2.65 0.00 0.00 178.83 177.36 1fk8 h ALA 1051N 0.85 0.97 -0.42 3.38 0.00 -0.02 -0.25 119.26 123.77 1fk8 h ALA 1051Ca 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1fk8 h ALA 1051Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1fk8 h ALA 1051CO 0.06 0.52 0.17 0.82 0.00 0.00 0.00 179.25 180.82 1fk8 h ILE 1052N 1.05 1.20 -0.48 0.00 2.04 0.37 -1.60 117.51 120.09 1fk8 h ILE 1052Ca 0.26 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1fk8 h ILE 1052Cb 0.09 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1fk8 h ILE 1052CO -0.04 0.22 0.08 0.00 0.00 0.00 0.00 178.15 178.42 1fk8 h ALA 1053N 1.02 0.63 -0.79 1.87 0.00 -1.05 -0.95 119.26 119.99 1fk8 h ALA 1053Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1fk8 h ALA 1053Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1fk8 h ALA 1053CO -0.01 0.35 0.45 -0.44 0.00 0.00 0.00 179.25 179.59 1fk8 h ASP 1054N 0.65 0.96 0.11 0.00 3.32 -0.88 -0.62 116.42 119.97 1fk8 h ASP 1054Ca 0.15 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1fk8 h ASP 1054Cb 0.38 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1fk8 h ASP 1054CO 0.01 0.76 -0.05 0.58 -1.72 0.00 0.00 179.24 178.82 1fk8 h VAL 1055N 1.10 1.09 -0.19 -1.35 2.07 -1.11 -3.11 116.25 114.75 1fk8 h VAL 1055Ca 0.28 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1fk8 h VAL 1055Cb 0.00 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1fk8 h VAL 1055CO -0.05 0.25 0.17 -0.07 0.02 0.00 0.00 177.57 177.89 1fk8 h LEU 1056N -0.68 0.00 -1.22 2.57 3.38 -1.05 0.21 115.31 118.52 1fk8 h LEU 1056Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1fk8 h LEU 1056Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1fk8 h LEU 1056CO 0.03 0.00 -0.37 0.00 0.09 0.00 0.00 178.44 178.19 1fk8 h ALA 1057N 1.85 1.35 -0.00 1.53 0.00 -1.05 -2.31 119.26 120.62 1fk8 h ALA 1057Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1fk8 h ALA 1057Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1fk8 h ALA 1057CO -0.00 0.48 -0.46 1.63 0.00 0.00 0.00 179.25 180.90 1fk8 n LYS 1058N -4.09 0.41 -2.34 0.00 5.02 0.65 -4.21 118.16 113.60 1fk8 n LYS 1058Ca -0.02 -0.26 -0.18 0.00 -2.02 0.00 0.00 58.31 55.84 1fk8 n LYS 1058Cb 0.41 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.95 1fk8 n LYS 1058CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fk8 h SER 1060N 2.42 0.00 0.03 0.00 4.64 -1.65 0.35 113.55 119.33 1fk8 h SER 1060Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1fk8 h SER 1060Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1fk8 h SER 1060CO 0.62 0.00 -0.08 0.29 -0.87 0.00 0.00 176.83 176.79 1fk8 n LYS 1061N -4.36 1.59 0.00 4.77 4.76 -1.26 -5.05 118.16 118.60 1fk8 n LYS 1061Ca 0.01 -1.04 0.00 0.00 -2.87 0.00 0.00 58.31 54.40 1fk8 n LYS 1061Cb 0.24 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1fk8 n LYS 1061CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fk8 n GLY 1062N 1.26 -1.71 3.03 0.72 0.00 0.12 -4.79 105.19 103.82 1fk8 n GLY 1062Ca 0.16 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 1fk8 n GLY 1062CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1fk8 s MET 1063N -0.98 0.46 0.11 1.61 0.23 -1.01 -4.69 119.30 115.03 1fk8 s MET 1063Ca 0.00 -0.82 0.21 0.00 -1.03 0.00 0.00 55.69 54.05 1fk8 s MET 1063Cb 0.00 0.01 -0.12 0.00 -1.53 0.00 0.00 34.83 33.20 1fk8 s MET 1063CO 0.00 -0.04 0.83 -0.25 -2.03 0.00 0.00 175.02 173.53 1fk8 n ASP 1064N 1.15 0.62 -3.68 -1.18 10.43 0.97 -3.62 116.55 121.24 1fk8 n ASP 1064Ca -0.21 0.25 -0.10 0.00 2.57 0.00 0.00 54.79 57.30 1fk8 n ASP 1064Cb 0.57 0.78 -0.03 0.00 1.84 0.00 0.00 41.12 44.28 1fk8 n ASP 1064CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1fk8 s GLY 1065N -4.52 -0.21 -0.11 0.44 0.00 -0.83 -2.87 107.32 99.21 1fk8 s GLY 1065Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.56 1fk8 s GLY 1065CO 0.82 -0.15 0.25 -2.27 0.00 0.00 0.00 173.10 171.75 1fk8 s LEU 1066N -2.85 0.40 -0.15 0.66 2.96 -1.01 -1.14 118.68 117.55 1fk8 s LEU 1066Ca 0.07 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1fk8 s LEU 1066Cb -0.02 0.74 0.04 0.00 0.50 0.00 0.00 46.19 47.45 1fk8 s LEU 1066CO -0.04 -0.17 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.11 1fk8 s VAL 1067N 1.27 0.86 -0.54 1.68 1.01 0.26 -0.88 120.40 124.06 1fk8 s VAL 1067Ca -0.09 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1fk8 s VAL 1067Cb -0.10 -1.10 0.12 0.00 0.00 0.00 0.00 36.38 35.30 1fk8 s VAL 1067CO -0.09 0.08 0.53 -0.76 0.00 0.00 0.00 175.10 174.87 1fk8 s LEU 1068N 1.74 6.03 0.00 3.92 1.43 -0.32 -1.66 118.68 129.83 1fk8 s LEU 1068Ca 0.01 -1.71 0.13 0.00 -1.03 0.00 0.00 54.13 51.54 1fk8 s LEU 1068Cb -0.15 -2.22 -0.08 0.00 0.03 0.00 0.00 46.19 43.77 1fk8 s LEU 1068CO -0.07 -0.89 0.66 0.00 0.23 0.00 0.00 176.35 176.28 1fk8 n ALA 1070N -0.78 2.45 -3.56 0.00 0.00 -1.16 -4.66 120.51 112.80 1fk8 n ALA 1070Ca 0.04 0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.80 1fk8 n ALA 1070Cb 0.24 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 1fk8 n ALA 1070CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fk8 s GLY 1071N 0.83 -0.33 -0.03 0.00 0.00 -1.26 -4.63 107.32 101.90 1fk8 s GLY 1071Ca 0.71 1.56 0.04 0.00 0.00 0.00 0.00 44.72 47.03 1fk8 s GLY 1071CO 0.40 0.62 -0.13 1.08 0.00 0.00 0.00 173.10 175.07 1fk8 s LEU 1072N -1.95 1.89 0.74 0.66 1.43 -1.26 -5.01 118.68 115.18 1fk8 s LEU 1072Ca 0.05 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1fk8 s LEU 1072Cb -0.01 -0.76 0.12 0.00 0.03 0.00 0.00 46.19 45.57 1fk8 s LEU 1072CO -0.05 0.12 1.03 -0.83 0.23 0.00 0.00 176.35 176.85 1fk8 s GLY 1073N 0.02 1.76 0.85 -3.19 0.00 -1.26 -4.87 107.32 100.62 1fk8 s GLY 1073Ca -0.01 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 1fk8 s GLY 1073CO 0.01 -0.93 1.15 2.56 0.00 0.00 0.00 173.10 175.89 1fk8 s PRO 1074N -5.24 1.50 -0.67 2.90 0.04 -1.26 -3.46 135.00 128.81 1fk8 s PRO 1074Ca 0.66 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 1fk8 s PRO 1074Cb -0.06 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1fk8 s PRO 1074CO 0.45 -2.27 0.56 0.94 0.04 0.00 0.00 177.00 176.72 1fk8 n GLN 1075N -3.76 -3.74 -4.46 4.56 -0.06 -1.26 -5.02 117.38 103.64 1fk8 n GLN 1075Ca 0.12 0.47 -0.34 0.00 -2.00 0.00 0.00 57.00 55.24 1fk8 n GLN 1075Cb 0.52 -4.36 -0.10 0.00 -4.06 0.00 0.00 30.24 22.24 1fk8 n GLN 1075CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1fk8 s THR 1076N -3.20 4.06 0.00 1.69 2.01 -1.22 -5.04 115.64 113.94 1fk8 s THR 1076Ca 0.04 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1fk8 s THR 1076Cb -0.02 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1fk8 s THR 1076CO 0.40 0.59 0.80 0.29 -0.69 0.00 0.00 174.62 176.01 1fk8 n LYS 1077N 2.36 0.00 -3.11 4.92 5.02 -1.26 -3.77 118.16 122.32 1fk8 n LYS 1077Ca -0.18 0.80 -0.44 0.00 -2.02 0.00 0.00 58.31 56.47 1fk8 n LYS 1077Cb 0.53 -1.28 -0.06 0.00 -0.02 0.00 0.00 35.03 34.20 1fk8 n LYS 1077CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1fk8 s VAL 1078N -2.35 4.80 0.56 -0.18 0.11 -1.26 -4.94 120.40 117.14 1fk8 s VAL 1078Ca 0.00 -0.38 0.24 0.00 -2.93 0.00 0.00 61.98 58.91 1fk8 s VAL 1078Cb 0.00 -4.34 0.32 0.00 -1.53 0.00 0.00 36.38 30.83 1fk8 s VAL 1078CO 0.00 -0.86 2.20 -0.07 -3.33 0.00 0.00 175.10 173.04 1fk8 h LEU 1079N 9.91 0.00 -2.02 2.54 3.38 -1.95 -2.25 115.31 124.92 1fk8 h LEU 1079Ca -0.27 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1fk8 h LEU 1079Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1fk8 h LEU 1079CO 0.99 0.00 0.07 1.23 0.09 0.00 0.00 178.44 180.82 1fk8 h GLY 1080N 0.00 0.00 2.00 0.83 0.00 -1.92 -1.13 103.07 102.85 1fk8 h GLY 1080Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1fk8 h GLY 1080CO -0.00 0.00 -0.49 3.43 0.00 0.00 0.00 176.54 179.48 1fk8 h ASN 1081N 0.00 0.00 -0.42 0.19 2.35 -1.75 -1.99 115.58 113.97 1fk8 h ASN 1081Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1fk8 h ASN 1081Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1fk8 h ASN 1081CO -0.00 0.49 0.25 0.58 -1.65 0.00 0.00 177.43 177.10 1fk8 h VAL 1082N 0.00 1.14 -0.22 2.81 2.07 -1.33 0.06 116.25 120.78 1fk8 h VAL 1082Ca -0.00 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1fk8 h VAL 1082Cb 0.87 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1fk8 h VAL 1082CO 0.06 0.14 -0.15 0.58 0.02 0.00 0.00 177.57 178.23 1fk8 h VAL 1083N 0.55 1.31 -0.27 2.57 2.07 -1.52 -0.96 116.25 120.01 1fk8 h VAL 1083Ca 0.15 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1fk8 h VAL 1083Cb 0.01 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1fk8 h VAL 1083CO -0.03 0.39 0.14 0.28 0.02 0.00 0.00 177.57 178.37 1fk8 h SER 1084N 0.19 0.34 0.00 0.57 0.02 -1.21 -1.23 113.55 112.22 1fk8 h SER 1084Ca 0.04 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1fk8 h SER 1084Cb 0.66 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1fk8 h SER 1084CO 0.04 0.33 -0.00 0.58 -1.14 0.00 0.00 176.83 176.64 1fk8 h VAL 1085N 0.32 1.56 -0.86 2.27 2.07 -1.04 0.12 116.25 120.69 1fk8 h VAL 1085Ca 0.09 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 1fk8 h VAL 1085Cb 0.07 2.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 1fk8 h VAL 1085CO -0.01 0.44 0.52 0.78 0.02 0.00 0.00 177.57 179.31 1fk8 h ASN 1086N -0.74 1.02 0.00 0.57 4.21 -1.22 -2.76 115.58 116.67 1fk8 h ASN 1086Ca -0.00 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1fk8 h ASN 1086Cb 0.72 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1fk8 h ASN 1086CO 0.00 0.78 -0.13 0.00 -1.29 0.00 0.00 177.43 176.80 1fk8 n TYR 1087N -4.37 0.03 -0.08 1.19 9.36 -0.46 -4.38 117.16 118.45 1fk8 n TYR 1087Ca 0.09 0.01 -0.03 0.00 3.32 0.00 0.00 57.90 61.30 1fk8 n TYR 1087Cb 0.06 -0.13 0.21 0.00 -0.63 0.00 0.00 39.34 38.84 1fk8 n TYR 1087CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1fk8 h PHE 1088N -0.14 0.76 0.00 2.98 0.04 -1.52 0.17 116.94 119.23 1fk8 h PHE 1088Ca 0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1fk8 h PHE 1088Cb 0.13 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1fk8 h PHE 1088CO -0.05 0.70 0.00 0.78 -0.60 0.00 0.00 178.31 179.13 1fk8 h GLY 1089N 0.94 0.00 0.00 -1.45 0.00 -0.46 -1.73 103.07 100.36 1fk8 h GLY 1089Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.12 1fk8 h GLY 1089CO 0.01 0.00 -2.13 0.00 0.00 0.00 0.00 176.54 174.42 1fk8 n ALA 1090N -2.05 1.40 0.01 3.60 0.00 -0.63 -4.34 120.51 118.50 1fk8 n ALA 1090Ca -0.03 -0.93 -0.12 0.00 0.00 0.00 0.00 53.44 52.37 1fk8 n ALA 1090Cb 0.07 0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 1fk8 n ALA 1090CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fk8 h THR 1091N -0.87 1.06 -0.37 0.00 1.03 -0.62 -0.68 112.91 112.46 1fk8 h THR 1091Ca -0.53 -0.17 -0.03 0.00 -0.01 0.00 0.00 66.41 65.67 1fk8 h THR 1091Cb 1.44 1.08 -0.02 0.00 -1.07 0.00 0.00 68.15 69.58 1fk8 h THR 1091CO -0.32 0.05 0.09 -0.33 -0.01 0.00 0.00 175.52 175.00 1fk8 h GLU 1092N 0.01 0.55 -0.07 0.00 5.08 -1.55 -1.27 114.58 117.33 1fk8 h GLU 1092Ca 0.02 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1fk8 h GLU 1092Cb 0.06 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1fk8 h GLU 1092CO -0.00 0.51 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.12 1fk8 h LEU 1093N 0.54 0.40 -1.12 1.33 4.07 -1.67 -1.70 115.31 117.17 1fk8 h LEU 1093Ca 0.13 -0.65 -0.06 0.00 0.08 0.00 0.00 57.88 57.38 1fk8 h LEU 1093Cb 0.21 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1fk8 h LEU 1093CO -0.00 0.98 -0.03 0.00 -1.08 0.00 0.00 178.44 178.31 1fk8 h MET 1094N -0.15 0.58 -0.39 1.13 -0.00 -0.99 0.30 114.93 115.41 1fk8 h MET 1094Ca -0.02 -0.14 -0.16 0.00 -0.00 0.00 0.00 59.70 59.38 1fk8 h MET 1094Cb 0.97 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.49 1fk8 h MET 1094CO 0.07 0.63 -0.37 -0.44 -0.00 0.00 0.00 176.91 176.80 1fk8 h ASP 1095N 0.55 0.98 1.24 -0.10 3.32 -1.25 -2.55 116.42 118.61 1fk8 h ASP 1095Ca 0.11 -0.44 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 1fk8 h ASP 1095Cb 0.40 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1fk8 h ASP 1095CO 0.02 1.23 -0.34 0.00 -1.72 0.00 0.00 179.24 178.42 1fk8 h ALA 1096N 0.81 0.87 0.00 3.45 0.00 -0.96 -3.28 119.26 120.15 1fk8 h ALA 1096Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1fk8 h ALA 1096Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1fk8 h ALA 1096CO 0.09 0.43 -0.72 1.19 0.00 0.00 0.00 179.25 180.24 1fk8 n PHE 1097N -3.32 0.19 -0.10 0.00 3.72 0.06 -4.42 117.46 113.60 1fk8 n PHE 1097Ca 0.01 0.05 -0.06 0.00 -0.05 0.00 0.00 57.45 57.41 1fk8 n PHE 1097Cb 0.58 -0.36 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 1fk8 n PHE 1097CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1fk8 h LEU 1098N 0.00 -0.46 -1.06 4.37 6.46 -1.52 0.71 115.31 123.82 1fk8 h LEU 1098Ca 0.00 0.12 0.17 0.00 -0.12 0.00 0.00 57.88 58.05 1fk8 h LEU 1098Cb 0.62 0.27 -0.10 0.00 -0.73 0.00 0.00 40.66 40.72 1fk8 h LEU 1098CO 0.00 -0.17 0.62 -0.65 -0.62 0.00 0.00 178.44 177.62 1fk8 h PRO 1099N -0.06 0.78 -0.25 5.25 0.11 -1.82 0.26 132.00 136.28 1fk8 h PRO 1099Ca 0.18 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 1fk8 h PRO 1099Cb 0.33 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 1fk8 h PRO 1099CO -0.40 0.52 -0.37 0.00 -0.21 0.00 0.00 178.00 177.54 1fk8 h ALA 1100N 1.61 0.39 -0.80 -0.75 0.00 -1.47 -3.10 119.26 115.14 1fk8 h ALA 1100Ca 0.54 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1fk8 h ALA 1100Cb 0.79 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1fk8 h ALA 1100CO -0.32 0.46 0.53 -0.07 0.00 0.00 0.00 179.25 179.85 1fk8 h LEU 1101N 0.42 0.92 -2.06 0.00 -0.00 0.51 -1.72 115.31 113.38 1fk8 h LEU 1101Ca 0.03 -0.02 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 1fk8 h LEU 1101Cb 0.95 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.37 1fk8 h LEU 1101CO 0.08 0.66 0.28 0.11 -0.00 0.00 0.00 178.44 179.58 1fk8 h LYS 1102N 1.08 0.00 -0.00 1.13 1.57 -0.47 0.41 116.57 120.29 1fk8 h LYS 1102Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1fk8 h LYS 1102Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1fk8 h LYS 1102CO -0.07 0.00 -0.12 1.63 -0.57 0.00 0.00 179.45 180.32 1fk8 n LYS 1103N -4.16 0.70 -1.98 3.15 5.02 -0.68 -4.93 118.16 115.28 1fk8 n LYS 1103Ca 0.05 -0.26 -0.29 0.00 -2.02 0.00 0.00 58.31 55.80 1fk8 n LYS 1103Cb 0.46 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 34.09 1fk8 n LYS 1103CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1fk8 s GLY 1104N -2.48 1.68 -0.27 0.72 0.00 0.14 -4.84 107.32 102.28 1fk8 s GLY 1104Ca 0.28 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 1fk8 s GLY 1104CO 0.48 -0.35 0.31 -1.58 0.00 0.00 0.00 173.10 171.96 1fk8 s HIS 1105N -3.63 3.24 -1.51 1.90 2.46 -1.26 -4.29 115.29 112.19 1fk8 s HIS 1105Ca 0.66 0.31 -0.05 0.00 0.47 0.00 0.00 55.06 56.45 1fk8 s HIS 1105Cb -0.08 -2.51 0.04 0.00 -0.13 0.00 0.00 32.58 29.90 1fk8 s HIS 1105CO 0.50 -0.21 0.43 1.04 -2.47 0.00 0.00 174.74 174.03 1fk8 n GLN 1106N 5.24 -2.79 -1.76 2.88 6.02 -1.26 -4.82 117.38 120.89 1fk8 n GLN 1106Ca -0.10 0.33 -0.41 0.00 -0.01 0.00 0.00 57.00 56.81 1fk8 n GLN 1106Cb 0.51 -4.50 -0.00 0.00 1.02 0.00 0.00 30.24 27.27 1fk8 n GLN 1106CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1fk8 n PRO 1107N -4.42 2.56 -3.65 -1.09 -0.04 -1.26 -4.97 135.00 122.12 1fk8 n PRO 1107Ca -0.21 0.90 -0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1fk8 n PRO 1107Cb 0.64 -2.60 -0.05 0.00 -0.04 0.00 0.00 33.50 31.45 1fk8 n PRO 1107CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fk8 s ALA 1108N -1.11 -0.94 0.01 0.55 0.00 -1.14 -2.72 121.76 116.41 1fk8 s ALA 1108Ca 0.54 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 1fk8 s ALA 1108Cb -0.50 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1fk8 s ALA 1108CO 0.63 -0.55 0.01 0.00 0.00 0.00 0.00 175.76 175.86 1fk8 s ALA 1109N -3.18 0.01 -0.05 0.00 0.00 0.35 -2.39 121.76 116.49 1fk8 s ALA 1109Ca -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1fk8 s ALA 1109Cb 0.01 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1fk8 s ALA 1109CO -0.07 -0.16 -0.07 0.08 0.00 0.00 0.00 175.76 175.54 1fk8 s VAL 1110N -1.37 0.69 -0.11 0.00 1.01 -0.06 -2.02 120.40 118.53 1fk8 s VAL 1110Ca -0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1fk8 s VAL 1110Cb -0.09 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1fk8 s VAL 1110CO -0.00 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 174.57 1fk8 s VAL 1111N 0.84 3.37 -0.41 2.92 1.01 0.05 -1.17 120.40 127.02 1fk8 s VAL 1111Ca -0.12 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1fk8 s VAL 1111Cb -0.15 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1fk8 s VAL 1111CO 0.01 0.54 0.71 -0.63 0.00 0.00 0.00 175.10 175.73 1fk8 s ILE 1112N -0.03 4.76 0.00 2.22 1.01 -0.55 -2.01 121.20 126.61 1fk8 s ILE 1112Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1fk8 s ILE 1112Cb -0.14 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1fk8 s ILE 1112CO 0.03 -0.55 0.00 -0.24 0.00 0.00 0.00 174.94 174.18 1fk8 n SER 1113N 6.40 0.00 0.00 3.58 2.88 -0.20 -4.92 113.62 121.36 1fk8 n SER 1113Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1fk8 n SER 1113Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1fk8 n SER 1113CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1fk8 n SER 1114N 0.00 0.00 0.33 -3.46 2.88 -1.26 -4.51 113.62 107.60 1fk8 n SER 1114Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 1fk8 n SER 1114Cb 0.00 0.00 1.17 0.00 -0.75 0.00 0.00 64.21 64.63 1fk8 n SER 1114CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1fk8 h VAL 1115N 0.03 0.00 0.00 2.46 -1.51 -1.54 0.15 116.25 115.84 1fk8 h VAL 1115Ca 0.00 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1fk8 h VAL 1115Cb 0.00 1.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.16 1fk8 h VAL 1115CO 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1fk8 h ALA 1116N 2.00 1.10 0.00 5.19 0.00 -1.87 -0.53 119.26 125.15 1fk8 h ALA 1116Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fk8 h ALA 1116Cb 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1fk8 h ALA 1116CO 0.00 0.01 -0.02 0.66 0.00 0.00 0.00 179.25 179.90 1fk8 h SER 1117N 0.00 0.00 0.13 0.00 4.64 -0.92 -1.37 113.55 116.03 1fk8 h SER 1117Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fk8 h SER 1117Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1fk8 h SER 1117CO 0.00 0.02 -0.20 0.00 -0.87 0.00 0.00 176.83 175.78 1fk8 n ALA 1118N -2.31 2.96 0.92 5.18 0.00 -0.21 -3.99 120.51 123.06 1fk8 n ALA 1118Ca -0.03 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.08 1fk8 n ALA 1118Cb 0.10 -1.09 0.56 0.00 0.00 0.00 0.00 19.45 19.02 1fk8 n ALA 1118CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fk8 n HIS 1119N -0.27 0.00 -4.10 0.00 8.25 -0.52 -4.80 115.22 113.78 1fk8 n HIS 1119Ca 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 1fk8 n HIS 1119Cb 0.37 -0.47 -0.11 0.00 1.12 0.00 0.00 29.99 30.90 1fk8 n HIS 1119CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1fk8 s LEU 1120N -2.95 2.35 -0.08 2.41 1.43 -1.26 -5.14 118.68 115.45 1fk8 s LEU 1120Ca 0.14 -0.72 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 1fk8 s LEU 1120Cb 0.17 -0.11 -0.05 0.00 0.03 0.00 0.00 46.19 46.23 1fk8 s LEU 1120CO 0.46 -0.31 0.32 0.00 0.23 0.00 0.00 176.35 177.05 1fk8 s ALA 1121N -2.23 3.69 0.22 4.21 0.00 -1.26 -4.99 121.76 121.40 1fk8 s ALA 1121Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 1fk8 s ALA 1121Cb -0.04 -2.32 0.36 0.00 0.00 0.00 0.00 23.12 21.11 1fk8 s ALA 1121CO -0.02 0.35 1.74 0.35 0.00 0.00 0.00 175.76 178.18 1fk8 h PHE 1122N 5.51 0.45 0.00 0.00 3.04 -1.93 0.91 116.94 124.91 1fk8 h PHE 1122Ca -0.48 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.50 1fk8 h PHE 1122Cb 1.20 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1fk8 h PHE 1122CO 0.68 0.08 0.00 -0.40 -2.02 0.00 0.00 178.31 176.65 1fk8 n ASP 1123N -5.00 0.00 -0.02 0.41 3.85 -1.26 -1.61 116.55 112.92 1fk8 n ASP 1123Ca 0.11 -0.65 0.01 0.00 -0.71 0.00 0.00 54.79 53.56 1fk8 n ASP 1123Cb 0.34 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.12 1fk8 n ASP 1123CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1fk8 n LYS 1124N -0.97 2.30 -2.96 0.11 4.76 0.22 -5.00 118.16 116.61 1fk8 n LYS 1124Ca 0.14 -1.48 -0.42 0.00 -2.87 0.00 0.00 58.31 53.67 1fk8 n LYS 1124Cb 0.06 -0.98 -0.05 0.00 -1.84 0.00 0.00 35.03 32.22 1fk8 n LYS 1124CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1fk8 s ASN 1125N -1.09 6.49 0.65 4.39 3.84 -0.62 -4.81 114.94 123.80 1fk8 s ASN 1125Ca 0.04 0.17 0.36 0.00 0.21 0.00 0.00 52.86 53.64 1fk8 s ASN 1125Cb 0.03 -2.39 2.00 0.00 -0.55 0.00 0.00 41.25 40.34 1fk8 s ASN 1125CO 0.00 -0.81 2.17 -0.65 -2.79 0.00 0.00 177.10 175.02 1fk8 h PRO 1126N 8.68 0.00 0.00 0.43 0.11 -1.91 -1.34 132.00 137.97 1fk8 h PRO 1126Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1fk8 h PRO 1126Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1fk8 h PRO 1126CO 0.93 0.00 -1.77 1.28 -0.21 0.00 0.00 178.00 178.23 1fk8 n LEU 1127N -3.19 0.23 -0.12 2.35 4.77 -1.26 -4.69 117.00 115.08 1fk8 n LEU 1127Ca -0.02 -0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.81 1fk8 n LEU 1127Cb 0.23 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1fk8 n LEU 1127CO 0.20 0.05 0.49 0.00 -1.33 0.00 0.00 177.39 176.80 1fk8 h ALA 1128N 2.22 -0.27 -0.98 -1.18 0.00 -1.53 0.34 119.26 117.86 1fk8 h ALA 1128Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1fk8 h ALA 1128Cb 0.89 1.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 1fk8 h ALA 1128CO 0.00 -0.40 0.64 -0.07 0.00 0.00 0.00 179.25 179.41 1fk8 h LEU 1129N -0.04 1.04 -0.06 0.00 4.07 -1.84 -0.88 115.31 117.59 1fk8 h LEU 1129Ca 0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1fk8 h LEU 1129Cb 0.16 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1fk8 h LEU 1129CO -0.30 0.69 0.02 0.00 -1.08 0.00 0.00 178.44 177.77 1fk8 h ALA 1130N 1.42 0.08 -0.54 1.53 0.00 -1.62 -2.24 119.26 117.89 1fk8 h ALA 1130Ca 0.41 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1fk8 h ALA 1130Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1fk8 h ALA 1130CO -0.15 -0.31 0.03 -0.07 0.00 0.00 0.00 179.25 178.75 1fk8 h LEU 1131N -0.09 0.91 -1.52 0.00 3.38 -0.12 -0.04 115.31 117.84 1fk8 h LEU 1131Ca 0.02 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1fk8 h LEU 1131Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1fk8 h LEU 1131CO -0.00 0.98 -0.21 -0.08 0.09 0.00 0.00 178.44 179.22 1fk8 h GLU 1132N 0.82 0.05 -0.00 1.13 4.81 -1.16 -1.57 114.58 118.65 1fk8 h GLU 1132Ca 0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1fk8 h GLU 1132Cb 0.50 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1fk8 h GLU 1132CO 0.02 0.26 -0.20 0.00 -0.73 0.00 0.00 179.01 178.36 1fk8 n ALA 1133N -2.50 2.91 -1.45 2.92 0.00 -0.85 -4.92 120.51 116.62 1fk8 n ALA 1133Ca -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.11 1fk8 n ALA 1133Cb 0.28 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1fk8 n ALA 1133CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fk8 n GLY 1134N 1.37 0.47 3.14 0.00 0.00 -0.59 -4.96 105.19 104.62 1fk8 n GLY 1134Ca 0.11 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1fk8 n GLY 1134CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fk8 n GLU 1135N -2.30 3.54 -0.02 1.61 1.02 -0.08 -4.84 120.64 119.58 1fk8 n GLU 1135Ca -0.03 -3.73 -0.10 0.00 -0.02 0.00 0.00 57.16 53.28 1fk8 n GLU 1135Cb 0.26 -2.95 -0.04 0.00 -0.02 0.00 0.00 31.44 28.68 1fk8 n GLU 1135CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1fk8 h GLU 1136N 6.36 0.12 -0.60 3.49 4.81 -1.93 0.14 114.58 126.97 1fk8 h GLU 1136Ca 0.35 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.62 1fk8 h GLU 1136Cb 0.74 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 1fk8 h GLU 1136CO 1.43 0.08 0.34 0.00 -0.73 0.00 0.00 179.01 180.13 1fk8 h ALA 1137N 1.09 0.79 -0.56 2.92 0.00 -1.98 0.16 119.26 121.68 1fk8 h ALA 1137Ca 0.06 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1fk8 h ALA 1137Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1fk8 h ALA 1137CO -0.06 0.03 0.12 -0.22 0.00 0.00 0.00 179.25 179.12 1fk8 h LYS 1138N 0.65 0.92 -0.47 0.00 3.64 -1.91 -0.40 116.57 119.00 1fk8 h LYS 1138Ca 0.26 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1fk8 h LYS 1138Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1fk8 h LYS 1138CO -0.14 0.87 0.23 0.00 -2.27 0.00 0.00 179.45 178.13 1fk8 h ALA 1139N 1.01 0.60 -0.70 5.00 0.00 -0.26 -0.47 119.26 124.44 1fk8 h ALA 1139Ca 0.17 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1fk8 h ALA 1139Cb 0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1fk8 h ALA 1139CO 0.01 0.16 0.17 0.00 0.00 0.00 0.00 179.25 179.59 1fk8 h ARG 1140N 0.61 1.13 -0.84 0.00 3.08 -0.53 -2.81 114.38 115.02 1fk8 h ARG 1140Ca 0.16 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1fk8 h ARG 1140Cb 0.11 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1fk8 h ARG 1140CO -0.02 0.99 0.46 0.00 -1.07 0.00 0.00 179.97 180.33 1fk8 h ALA 1141N 1.08 1.08 -0.22 0.04 0.00 -0.64 -1.21 119.26 119.40 1fk8 h ALA 1141Ca 0.22 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1fk8 h ALA 1141Cb 0.37 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1fk8 h ALA 1141CO 0.00 0.59 0.05 0.82 0.00 0.00 0.00 179.25 180.71 1fk8 h ILE 1142N 1.17 0.91 0.00 0.00 2.04 -0.83 -1.01 117.51 119.80 1fk8 h ILE 1142Ca 0.30 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 66.00 1fk8 h ILE 1142Cb 0.03 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1fk8 h ILE 1142CO -0.05 0.03 -0.52 -0.37 0.00 0.00 0.00 178.15 177.24 1fk8 h VAL 1143N 0.14 1.24 0.00 1.67 -1.51 -1.38 -1.99 116.25 114.42 1fk8 h VAL 1143Ca 0.10 -1.87 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 1fk8 h VAL 1143Cb 0.09 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1fk8 h VAL 1143CO -0.12 0.51 0.00 -0.62 -1.23 0.00 0.00 177.57 176.11 1fk8 n GLU 1144N -3.72 0.08 -0.12 5.19 1.02 -0.48 -2.71 120.64 119.90 1fk8 n GLU 1144Ca -0.01 0.11 0.04 0.00 -0.02 0.00 0.00 57.16 57.27 1fk8 n GLU 1144Cb 0.57 -1.61 0.10 0.00 -0.02 0.00 0.00 31.44 30.48 1fk8 n GLU 1144CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1fk8 n HIS 1145N -1.75 0.30 0.35 -0.32 8.25 -0.42 -4.54 115.22 117.08 1fk8 n HIS 1145Ca 0.06 -0.52 0.13 0.00 -0.26 0.00 0.00 57.72 57.14 1fk8 n HIS 1145Cb 0.34 -0.04 0.37 0.00 1.12 0.00 0.00 29.99 31.78 1fk8 n HIS 1145CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fk8 h ALA 1146N 1.24 1.00 -0.71 -1.41 0.00 -1.16 -3.49 119.26 114.74 1fk8 h ALA 1146Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fk8 h ALA 1146Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1fk8 h ALA 1146CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1fk8 n GLY 1147N 0.81 3.07 3.62 0.00 0.00 -1.26 -4.66 105.19 106.77 1fk8 n GLY 1147Ca 0.03 -0.18 -0.50 0.00 0.00 0.00 0.00 46.02 45.37 1fk8 n GLY 1147CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fk8 n GLU 1148N 13.41 1.47 -4.07 1.61 4.71 -1.26 -2.18 120.64 134.32 1fk8 n GLU 1148Ca 0.00 0.53 -0.30 0.00 -0.01 0.00 0.00 57.16 57.38 1fk8 n GLU 1148Cb 0.00 -2.21 -0.03 0.00 -1.01 0.00 0.00 31.44 28.19 1fk8 n GLU 1148CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1fk8 n GLN 1149N 2.92 -3.14 0.26 3.49 10.64 -1.26 -4.82 117.38 125.47 1fk8 n GLN 1149Ca 0.18 0.38 0.15 0.00 -1.83 0.00 0.00 57.00 55.88 1fk8 n GLN 1149Cb 0.22 -4.68 0.56 0.00 -0.86 0.00 0.00 30.24 25.48 1fk8 n GLN 1149CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1fk8 h GLY 1150N -1.73 0.00 0.97 2.61 0.00 -1.71 -2.91 103.07 100.31 1fk8 h GLY 1150Ca -0.62 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 1fk8 h GLY 1150CO 0.68 0.00 0.11 -1.33 0.00 0.00 0.00 176.54 176.01 1fk8 h GLY 1151N 2.34 0.85 1.57 4.60 0.00 -1.87 0.27 103.07 110.83 1fk8 h GLY 1151Ca -0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 1fk8 h GLY 1151CO 0.01 0.50 -0.41 3.43 0.00 0.00 0.00 176.54 180.07 1fk8 h ASN 1152N 0.67 0.50 -0.17 0.19 2.35 -1.90 -0.75 115.58 116.46 1fk8 h ASN 1152Ca 0.15 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1fk8 h ASN 1152Cb 0.34 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1fk8 h ASN 1152CO 0.00 0.85 -0.05 0.25 -1.65 0.00 0.00 177.43 176.84 1fk8 h LEU 1153N 0.39 0.34 -0.31 1.61 5.85 -1.36 0.15 115.31 121.98 1fk8 h LEU 1153Ca 0.03 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.40 1fk8 h LEU 1153Cb 0.88 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1fk8 h LEU 1153CO 0.07 0.64 0.17 0.00 -0.34 0.00 0.00 178.44 178.99 1fk8 h ALA 1154N 0.72 0.39 0.48 1.25 0.00 -0.33 0.19 119.26 121.96 1fk8 h ALA 1154Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1fk8 h ALA 1154Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1fk8 h ALA 1154CO 0.02 -0.19 -0.23 -0.92 0.00 0.00 0.00 179.25 177.92 1fk8 h TYR 1155N 0.36 -0.60 -0.70 0.00 3.20 -1.07 -0.89 116.97 117.26 1fk8 h TYR 1155Ca 0.13 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1fk8 h TYR 1155Cb 0.01 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1fk8 h TYR 1155CO -0.08 -0.37 0.44 0.00 -1.64 0.00 0.00 178.16 176.50 1fk8 h ALA 1156N -1.39 0.92 -0.70 1.82 0.00 -0.75 -0.64 119.26 118.52 1fk8 h ALA 1156Ca -0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1fk8 h ALA 1156Cb 0.50 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1fk8 h ALA 1156CO 0.11 0.21 0.14 0.78 0.00 0.00 0.00 179.25 180.49 1fk8 h GLY 1157N 0.85 1.22 1.01 0.00 0.00 -0.70 0.18 103.07 105.63 1fk8 h GLY 1157Ca 0.28 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 1fk8 h GLY 1157CO -0.11 0.74 -0.37 1.48 0.00 0.00 0.00 176.54 178.27 1fk8 h SER 1158N 1.07 0.80 -0.53 0.19 4.64 -0.84 -2.03 113.55 116.84 1fk8 h SER 1158Ca 0.22 -0.50 -0.10 0.00 -0.47 0.00 0.00 61.79 60.93 1fk8 h SER 1158Cb 0.41 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1fk8 h SER 1158CO 0.01 1.15 -0.06 0.11 -0.87 0.00 0.00 176.83 177.16 1fk8 h LYS 1159N 0.47 1.00 -0.27 4.77 1.79 -0.99 0.23 116.57 123.58 1fk8 h LYS 1159Ca 0.03 -0.34 -0.02 0.00 -2.18 0.00 0.00 60.65 58.14 1fk8 h LYS 1159Cb 0.96 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1fk8 h LYS 1159CO 0.09 1.02 0.09 -0.97 -1.08 0.00 0.00 179.45 178.60 1fk8 h ASN 1160N 0.90 0.38 -0.14 0.86 -1.24 -0.63 -1.50 115.58 114.22 1fk8 h ASN 1160Ca 0.15 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 56.93 1fk8 h ASN 1160Cb 0.61 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 1fk8 h ASN 1160CO 0.04 0.47 -0.02 0.00 -1.29 0.00 0.00 177.43 176.62 1fk8 h ALA 1161N 0.93 1.48 0.19 1.57 0.00 -1.20 -2.44 119.26 119.80 1fk8 h ALA 1161Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1fk8 h ALA 1161Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1fk8 h ALA 1161CO -0.00 0.37 -0.09 1.25 0.00 0.00 0.00 179.25 180.77 1fk8 h LEU 1162N 0.38 -0.22 -0.73 0.00 6.46 -0.52 0.43 115.31 121.10 1fk8 h LEU 1162Ca 0.08 -0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 1fk8 h LEU 1162Cb 0.29 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 1fk8 h LEU 1162CO 0.01 0.03 0.43 0.74 -0.62 0.00 0.00 178.44 179.04 1fk8 h THR 1163N -0.47 1.01 -0.48 1.05 2.02 -1.15 0.37 112.91 115.26 1fk8 h THR 1163Ca -0.03 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1fk8 h THR 1163Cb 0.36 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1fk8 h THR 1163CO 0.04 0.15 0.18 0.58 0.37 0.00 0.00 175.52 176.84 1fk8 h VAL 1164N 0.80 1.21 -0.62 3.16 2.07 -1.33 -0.95 116.25 120.60 1fk8 h VAL 1164Ca 0.32 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1fk8 h VAL 1164Cb 0.16 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1fk8 h VAL 1164CO -0.17 0.25 0.40 0.00 0.02 0.00 0.00 177.57 178.08 1fk8 h ALA 1165N 1.03 0.79 -0.52 1.67 0.00 -0.07 0.20 119.26 122.36 1fk8 h ALA 1165Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1fk8 h ALA 1165Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1fk8 h ALA 1165CO -0.01 0.19 0.21 0.28 0.00 0.00 0.00 179.25 179.91 1fk8 h VAL 1166N 0.81 1.22 -0.32 0.00 2.07 -0.69 -2.36 116.25 116.98 1fk8 h VAL 1166Ca 0.24 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 1fk8 h VAL 1166Cb -0.06 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1fk8 h VAL 1166CO -0.07 0.26 -0.21 0.03 0.02 0.00 0.00 177.57 177.59 1fk8 h ARG 1167N 0.70 0.61 0.00 1.57 3.08 -0.67 -2.09 114.38 117.58 1fk8 h ARG 1167Ca 0.17 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1fk8 h ARG 1167Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1fk8 h ARG 1167CO -0.01 0.78 0.00 1.63 -1.07 0.00 0.00 179.97 181.30 1fk8 n LYS 1168N -4.13 0.12 -0.08 0.04 5.02 0.64 -1.87 118.16 117.90 1fk8 n LYS 1168Ca 0.00 0.36 0.12 0.00 -2.02 0.00 0.00 58.31 56.77 1fk8 n LYS 1168Cb 0.40 -1.73 0.19 0.00 -0.02 0.00 0.00 35.03 33.87 1fk8 n LYS 1168CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1fk8 n ARG 1169N -1.96 2.34 -0.22 1.97 1.74 -0.80 -4.49 116.66 115.25 1fk8 n ARG 1169Ca 0.03 -1.99 -0.06 0.00 -0.77 0.00 0.00 57.85 55.05 1fk8 n ARG 1169Cb 0.21 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1fk8 n ARG 1169CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fk8 h ALA 1170N 4.58 0.78 0.14 7.54 0.00 -1.26 -0.79 119.26 130.26 1fk8 h ALA 1170Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1fk8 h ALA 1170Cb 0.94 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1fk8 h ALA 1170CO 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 179.25 179.41 1fk8 h ALA 1171N 1.21 -0.19 -0.22 0.00 0.00 -1.80 0.19 119.26 118.44 1fk8 h ALA 1171Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1fk8 h ALA 1171Cb -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1fk8 h ALA 1171CO -0.05 -0.57 0.08 0.00 0.00 0.00 0.00 179.25 178.72 1fk8 h ALA 1172N 0.58 0.29 -0.15 0.00 0.00 -1.83 -0.61 119.26 117.54 1fk8 h ALA 1172Ca -0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1fk8 h ALA 1172Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1fk8 h ALA 1172CO 0.03 -0.11 -0.29 -1.49 0.00 0.00 0.00 179.25 177.40 1fk8 h TRP 1173N 0.21 0.32 -0.61 0.00 4.06 -1.14 -0.92 115.95 117.86 1fk8 h TRP 1173Ca 0.07 -0.07 -0.08 0.00 2.06 0.00 0.00 58.89 60.88 1fk8 h TRP 1173Cb 0.19 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 1fk8 h TRP 1173CO -0.01 0.56 0.09 0.78 -3.56 0.00 0.00 178.44 176.30 1fk8 h GLY 1174N 1.04 1.11 1.41 1.49 0.00 -0.35 -0.17 103.07 107.60 1fk8 h GLY 1174Ca 0.04 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 1fk8 h GLY 1174CO 0.05 0.69 -0.07 0.83 0.00 0.00 0.00 176.54 178.04 1fk8 h GLU 1175N 0.93 0.72 0.00 4.80 5.08 -0.64 -1.99 114.58 123.48 1fk8 h GLU 1175Ca 0.18 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1fk8 h GLU 1175Cb 0.45 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1fk8 h GLU 1175CO 0.01 0.78 0.00 0.00 -1.00 0.00 0.00 179.01 178.80 1fk8 n ALA 1176N -2.48 2.13 -1.81 3.43 0.00 -0.39 -4.89 120.51 116.49 1fk8 n ALA 1176Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1fk8 n ALA 1176Cb 0.33 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1fk8 n ALA 1176CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fk8 n GLY 1177N 0.70 0.34 3.14 0.00 0.00 -0.67 -4.81 105.19 103.89 1fk8 n GLY 1177Ca 0.09 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1fk8 n GLY 1177CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fk8 s VAL 1178N -2.20 1.82 0.30 1.61 1.01 -0.16 -4.66 120.40 118.11 1fk8 s VAL 1178Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1fk8 s VAL 1178Cb 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 1fk8 s VAL 1178CO 0.00 0.50 0.92 -0.13 0.00 0.00 0.00 175.10 176.40 1fk8 s ARG 1179N 0.69 4.59 -0.15 2.72 0.52 -1.10 -4.04 118.95 122.18 1fk8 s ARG 1179Ca -0.12 1.31 -0.04 0.00 -0.52 0.00 0.00 55.73 56.36 1fk8 s ARG 1179Cb -0.16 -2.88 0.07 0.00 0.52 0.00 0.00 34.95 32.50 1fk8 s ARG 1179CO 0.02 0.33 0.16 -1.17 0.02 0.00 0.00 175.30 174.66 1fk8 s LEU 1180N -1.92 0.03 0.26 2.53 2.96 -1.26 -0.50 118.68 120.79 1fk8 s LEU 1180Ca 0.48 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1fk8 s LEU 1180Cb -0.19 0.16 -0.05 0.00 0.50 0.00 0.00 46.19 46.60 1fk8 s LEU 1180CO 0.25 -0.30 0.08 0.20 -1.32 0.00 0.00 176.35 175.25 1fk8 s ASN 1181N 2.26 1.37 0.23 3.68 0.01 -0.86 -0.61 114.94 121.02 1fk8 s ASN 1181Ca 0.04 -1.36 0.07 0.00 -0.71 0.00 0.00 52.86 50.91 1fk8 s ASN 1181Cb -0.14 0.12 -0.05 0.00 0.41 0.00 0.00 41.25 41.59 1fk8 s ASN 1181CO -0.09 -0.69 -0.11 0.42 -1.51 0.00 0.00 177.10 175.12 1fk8 s THR 1182N -3.67 1.69 0.13 1.60 -4.23 -0.10 -0.77 115.64 110.29 1fk8 s THR 1182Ca 0.36 -2.18 0.10 0.00 -1.18 0.00 0.00 61.69 58.79 1fk8 s THR 1182Cb 0.08 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 1fk8 s THR 1182CO 0.13 -0.49 -0.24 0.27 -0.54 0.00 0.00 174.62 173.74 1fk8 s ILE 1183N -3.00 2.06 -0.49 2.99 -4.36 -0.85 -1.06 121.20 116.50 1fk8 s ILE 1183Ca 0.25 -1.72 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 1fk8 s ILE 1183Cb 0.01 -1.86 0.14 0.00 1.25 0.00 0.00 42.46 42.00 1fk8 s ILE 1183CO 0.09 0.00 0.26 0.00 0.24 0.00 0.00 174.94 175.53 1fk8 s ALA 1184N -1.20 2.71 0.65 2.27 0.00 0.11 -1.03 121.76 125.26 1fk8 s ALA 1184Ca 0.12 -2.94 -0.18 0.00 0.00 0.00 0.00 51.96 48.96 1fk8 s ALA 1184Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 1fk8 s ALA 1184CO 0.06 -2.05 1.24 -2.30 0.00 0.00 0.00 175.76 172.71 1fk8 n PRO 1185N 3.27 1.04 -0.26 0.00 -0.02 -1.26 -1.98 135.00 135.78 1fk8 n PRO 1185Ca 0.08 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1fk8 n PRO 1185Cb 0.34 -2.48 0.19 0.00 -0.02 0.00 0.00 33.50 31.53 1fk8 n PRO 1185CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1fk8 h GLY 1186N 0.45 1.19 0.00 -1.23 0.00 -1.17 -2.31 103.07 100.00 1fk8 h GLY 1186Ca -0.50 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1fk8 h GLY 1186CO 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 177.01 1fk8 n ALA 1187N -2.47 0.00 -1.00 3.60 0.00 -1.26 -4.62 120.51 114.76 1fk8 n ALA 1187Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1fk8 n ALA 1187Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1fk8 n ALA 1187CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1fk8 n PHE 1209N 0.00 0.00 -3.03 0.00 -1.74 -1.26 -5.09 117.46 106.34 1fk8 n PHE 1209Ca 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 1fk8 n PHE 1209Cb 0.00 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 40.94 1fk8 n PHE 1209CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1fk8 s VAL 1210N 0.00 4.85 0.79 1.97 1.01 -1.26 -5.05 120.40 122.71 1fk8 s VAL 1210Ca 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 1fk8 s VAL 1210Cb 0.00 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.35 1fk8 s VAL 1210CO 0.00 -0.25 1.10 -2.16 0.00 0.00 0.00 175.10 173.79 1fk8 s PRO 1211N 2.83 2.09 0.32 2.72 0.04 -1.26 -4.87 135.00 136.87 1fk8 s PRO 1211Ca 0.29 1.21 0.08 0.00 0.04 0.00 0.00 61.00 62.61 1fk8 s PRO 1211Cb -0.14 -1.87 0.79 0.00 0.04 0.00 0.00 34.50 33.32 1fk8 s PRO 1211CO 0.13 -1.77 1.79 -1.35 0.04 0.00 0.00 177.00 175.84 1fk8 h PRO 1212N -1.23 0.69 0.00 0.56 0.11 -1.82 0.31 132.00 130.62 1fk8 h PRO 1212Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fk8 h PRO 1212Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1fk8 h PRO 1212CO 0.50 0.46 0.00 -1.33 -0.21 0.00 0.00 178.00 177.42 1fk8 n MET 1213N -4.70 0.37 -2.68 1.05 2.81 -0.89 -4.92 117.12 108.16 1fk8 n MET 1213Ca 0.22 0.08 -0.13 0.00 -1.81 0.00 0.00 57.70 56.07 1fk8 n MET 1213Cb 0.59 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.62 1fk8 n MET 1213CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fk8 n GLY 1214N 0.27 0.00 3.60 3.03 0.00 0.11 -5.02 105.19 107.18 1fk8 n GLY 1214Ca 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1fk8 n GLY 1214CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fk8 s ARG 1215N -5.18 0.37 0.56 1.61 1.70 -1.26 -4.97 118.95 111.78 1fk8 s ARG 1215Ca 0.17 -0.17 -0.13 0.00 -0.47 0.00 0.00 55.73 55.14 1fk8 s ARG 1215Cb -0.07 0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 1fk8 s ARG 1215CO 0.21 -0.17 0.98 1.03 -1.08 0.00 0.00 175.30 176.28 1fk8 s ARG 1216N -2.46 3.73 0.24 3.89 0.52 -1.26 -4.72 118.95 118.90 1fk8 s ARG 1216Ca 0.11 0.77 -0.13 0.00 -0.52 0.00 0.00 55.73 55.96 1fk8 s ARG 1216Cb 0.01 -2.14 -0.08 0.00 0.52 0.00 0.00 34.95 33.26 1fk8 s ARG 1216CO -0.04 -0.41 0.62 0.00 0.02 0.00 0.00 175.30 175.49 1fk8 s ALA 1217N -2.91 3.48 0.13 2.13 0.00 -1.26 -5.07 121.76 118.26 1fk8 s ALA 1217Ca 0.56 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 1fk8 s ALA 1217Cb -0.11 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.36 1fk8 s ALA 1217CO 0.44 0.43 0.53 -1.21 0.00 0.00 0.00 175.76 175.96 1fk8 s GLU 1218N -2.65 3.97 0.45 0.00 0.41 -1.26 -4.96 118.70 114.66 1fk8 s GLU 1218Ca 0.47 0.47 0.19 0.00 -0.41 0.00 0.00 54.97 55.70 1fk8 s GLU 1218Cb -0.12 -2.96 1.16 0.00 -1.78 0.00 0.00 34.13 30.43 1fk8 s GLU 1218CO 0.20 0.50 1.91 -1.35 -0.49 0.00 0.00 175.26 176.02 1fk8 h PRO 1219N 3.63 0.30 -0.03 0.39 0.11 -1.98 0.94 132.00 135.37 1fk8 h PRO 1219Ca -0.49 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1fk8 h PRO 1219Cb 1.19 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1fk8 h PRO 1219CO 0.66 0.20 0.02 0.66 -0.21 0.00 0.00 178.00 179.33 1fk8 h SER 1220N 0.31 0.00 1.12 -2.05 4.64 -1.92 0.38 113.55 116.03 1fk8 h SER 1220Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1fk8 h SER 1220Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1fk8 h SER 1220CO -0.11 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.23 1fk8 n GLU 1221N -4.07 0.14 -0.02 4.77 1.02 0.32 -1.08 120.64 121.73 1fk8 n GLU 1221Ca -0.02 0.18 -0.21 0.00 -0.02 0.00 0.00 57.16 57.08 1fk8 n GLU 1221Cb 0.11 -1.69 -0.13 0.00 -0.02 0.00 0.00 31.44 29.71 1fk8 n GLU 1221CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1fk8 n MET 1222N -1.94 0.73 -0.14 3.49 2.81 0.04 -4.07 117.12 118.03 1fk8 n MET 1222Ca 0.05 0.30 -0.03 0.00 -1.81 0.00 0.00 57.70 56.21 1fk8 n MET 1222Cb 0.35 -1.70 0.18 0.00 -0.71 0.00 0.00 33.22 31.34 1fk8 n MET 1222CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fk8 h ALA 1223N -0.02 1.20 -0.04 3.04 0.00 -1.14 -2.28 119.26 120.02 1fk8 h ALA 1223Ca -0.43 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 1fk8 h ALA 1223Cb 1.93 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1fk8 h ALA 1223CO 0.03 0.55 -0.26 0.66 0.00 0.00 0.00 179.25 180.23 1fk8 h SER 1224N 0.82 0.06 0.13 0.00 4.64 -1.27 0.20 113.55 118.12 1fk8 h SER 1224Ca 0.18 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.24 1fk8 h SER 1224Cb 0.29 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1fk8 h SER 1224CO -0.00 0.32 -0.97 0.58 -0.87 0.00 0.00 176.83 175.89 1fk8 h VAL 1225N 0.06 1.33 -0.55 0.95 2.07 -1.63 -2.32 116.25 116.15 1fk8 h VAL 1225Ca 0.01 -2.29 -0.06 0.00 0.82 0.00 0.00 66.70 65.18 1fk8 h VAL 1225Cb 0.50 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1fk8 h VAL 1225CO 0.04 0.70 0.12 0.40 0.02 0.00 0.00 177.57 178.85 1fk8 h ILE 1226N 0.34 1.25 -0.65 4.57 2.04 -0.86 -0.80 117.51 123.40 1fk8 h ILE 1226Ca -0.10 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 64.90 1fk8 h ILE 1226Cb 1.61 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1fk8 h ILE 1226CO 0.18 0.33 0.39 0.00 0.00 0.00 0.00 178.15 179.05 1fk8 h ALA 1227N 1.01 0.85 -0.23 1.87 0.00 -0.60 -0.19 119.26 121.97 1fk8 h ALA 1227Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fk8 h ALA 1227Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fk8 h ALA 1227CO 0.00 0.13 0.15 0.35 0.00 0.00 0.00 179.25 179.88 1fk8 h PHE 1228N 0.76 0.30 0.00 0.00 3.04 -0.97 -2.39 116.94 117.68 1fk8 h PHE 1228Ca 0.27 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 1fk8 h PHE 1228Cb 0.06 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 1fk8 h PHE 1228CO -0.06 0.20 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.26 1fk8 h LEU 1229N 0.31 0.00 -0.59 0.59 3.38 -0.51 -1.56 115.31 116.92 1fk8 h LEU 1229Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1fk8 h LEU 1229Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1fk8 h LEU 1229CO -0.02 0.10 -0.16 0.23 0.09 0.00 0.00 178.44 178.68 1fk8 n MET 1230N -3.57 1.07 -3.68 1.13 2.81 -0.14 -4.80 117.12 109.94 1fk8 n MET 1230Ca -0.02 -0.59 -0.21 0.00 -1.81 0.00 0.00 57.70 55.07 1fk8 n MET 1230Cb 0.23 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1fk8 n MET 1230CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1fk8 s SER 1231N -2.34 5.14 0.65 7.83 1.04 -0.59 -4.86 113.70 120.56 1fk8 s SER 1231Ca 0.29 -0.64 0.43 0.00 0.48 0.00 0.00 55.95 56.51 1fk8 s SER 1231Cb 0.20 -0.74 2.26 0.00 0.10 0.00 0.00 66.02 67.83 1fk8 s SER 1231CO 0.46 -0.52 2.31 -0.65 0.98 0.00 0.00 173.24 175.82 1fk8 h PRO 1232N 1.13 0.00 0.00 4.02 0.11 -1.92 -1.34 132.00 134.00 1fk8 h PRO 1232Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1fk8 h PRO 1232Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1fk8 h PRO 1232CO 0.58 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.36 1fk8 h ALA 1233N 2.00 1.49 -0.63 -0.75 0.00 -1.95 0.42 119.26 119.83 1fk8 h ALA 1233Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1fk8 h ALA 1233Cb 0.09 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.72 1fk8 h ALA 1233CO 0.00 0.01 0.24 0.00 0.00 0.00 0.00 179.25 179.50 1fk8 n ALA 1234N -2.31 4.56 -0.10 0.00 0.00 -0.51 -4.74 120.51 117.42 1fk8 n ALA 1234Ca -0.03 -2.71 0.26 0.00 0.00 0.00 0.00 53.44 50.97 1fk8 n ALA 1234Cb 0.09 -1.08 0.71 0.00 0.00 0.00 0.00 19.45 19.17 1fk8 n ALA 1234CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fk8 h SER 1235N 1.66 0.00 -0.35 0.00 4.64 -1.01 -0.41 113.55 118.07 1fk8 h SER 1235Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1fk8 h SER 1235Cb 2.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.26 1fk8 h SER 1235CO 0.67 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 1fk8 n TYR 1236N -3.92 0.56 -3.44 4.77 9.36 -1.26 -4.92 117.16 118.30 1fk8 n TYR 1236Ca 0.16 -0.56 -0.40 0.00 3.32 0.00 0.00 57.90 60.42 1fk8 n TYR 1236Cb 0.93 -0.07 -0.10 0.00 -0.63 0.00 0.00 39.34 39.47 1fk8 n TYR 1236CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1fk8 s VAL 1237N -1.28 5.21 -0.12 2.97 1.01 -0.17 -5.05 120.40 122.97 1fk8 s VAL 1237Ca 0.27 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 1fk8 s VAL 1237Cb 0.16 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1fk8 s VAL 1237CO 0.15 0.02 0.36 -2.28 0.00 0.00 0.00 175.10 173.35 1fk8 s HIS 1238N 1.95 -0.38 0.00 5.22 5.04 -1.26 -4.73 115.29 121.13 1fk8 s HIS 1238Ca 0.11 0.90 0.00 0.00 -1.54 0.00 0.00 55.06 54.53 1fk8 s HIS 1238Cb -0.16 0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.59 1fk8 s HIS 1238CO 0.11 -0.22 0.00 0.41 -2.34 0.00 0.00 174.74 172.70 1fk8 n GLY 1239N 2.67 0.23 3.93 1.59 0.00 0.22 -4.98 105.19 108.84 1fk8 n GLY 1239Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1fk8 n GLY 1239CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fk8 s ALA 1240N -1.46 3.71 -0.28 4.61 0.00 -1.26 -4.79 121.76 122.29 1fk8 s ALA 1240Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1fk8 s ALA 1240Cb 0.00 -2.14 0.05 0.00 0.00 0.00 0.00 23.12 21.03 1fk8 s ALA 1240CO 0.00 0.19 -0.04 -1.14 0.00 0.00 0.00 175.76 174.77 1fk8 s GLN 1241N -3.79 2.49 -0.32 0.00 0.74 -1.26 -0.92 119.66 116.60 1fk8 s GLN 1241Ca 0.41 -1.21 -0.19 0.00 0.05 0.00 0.00 55.36 54.42 1fk8 s GLN 1241Cb -0.10 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.93 1fk8 s GLN 1241CO 0.32 -0.55 0.55 0.42 -0.55 0.00 0.00 175.29 175.47 1fk8 s ILE 1242N 1.24 5.00 -0.07 -2.34 -1.09 -0.22 -4.89 121.20 118.82 1fk8 s ILE 1242Ca -0.05 0.60 -0.27 0.00 -2.23 0.00 0.00 60.65 58.70 1fk8 s ILE 1242Cb -0.19 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 1fk8 s ILE 1242CO -0.03 -0.14 0.88 -0.69 -1.23 0.00 0.00 174.94 173.74 1fk8 s VAL 1243N 2.45 4.90 -0.47 2.92 1.01 -1.26 0.06 120.40 130.00 1fk8 s VAL 1243Ca 0.21 1.81 0.03 0.00 0.00 0.00 0.00 61.98 64.02 1fk8 s VAL 1243Cb -0.15 -4.21 0.14 0.00 0.00 0.00 0.00 36.38 32.16 1fk8 s VAL 1243CO 0.12 0.13 0.26 -0.63 0.00 0.00 0.00 175.10 174.98 1fk8 s ILE 1244N 1.38 1.77 0.00 2.22 1.01 -0.84 -4.90 121.20 121.84 1fk8 s ILE 1244Ca 0.45 -2.85 0.00 0.00 0.00 0.00 0.00 60.65 58.24 1fk8 s ILE 1244Cb -0.19 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.05 1fk8 s ILE 1244CO 0.20 -0.88 0.70 -0.90 0.00 0.00 0.00 174.94 174.06 1fk8 n ASP 1245N 3.32 0.00 -0.09 3.58 5.75 -1.26 -0.59 116.55 127.27 1fk8 n ASP 1245Ca 0.09 -1.48 -0.01 0.00 -0.01 0.00 0.00 54.79 53.37 1fk8 n ASP 1245Cb 0.34 -0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1fk8 n ASP 1245CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fk8 n GLY 1246N 0.00 0.35 0.00 6.12 0.00 -1.26 -3.26 105.19 107.13 1fk8 n GLY 1246Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1fk8 n GLY 1246CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fk8 n GLY 1247N -1.05 0.54 0.20 -0.02 0.00 -1.26 -2.09 105.19 101.50 1fk8 n GLY 1247Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1fk8 n GLY 1247CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fk8 h ILE 1248N 0.00 0.60 -0.86 -0.61 1.08 -1.95 -2.44 117.51 113.33 1fk8 h ILE 1248Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 1fk8 h ILE 1248Cb 0.00 0.60 -0.08 0.00 -3.07 0.00 0.00 36.82 34.27 1fk8 h ILE 1248CO 0.00 0.00 0.49 -0.78 -0.69 0.00 0.00 178.15 177.17 1fk8 h ASP 1249N -0.18 0.68 -0.52 1.72 3.58 -1.95 -0.39 116.42 119.36 1fk8 h ASP 1249Ca 0.10 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1fk8 h ASP 1249Cb 0.32 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1fk8 h ASP 1249CO -0.25 0.37 0.32 0.00 -2.88 0.00 0.00 179.24 176.80 1fk8 h ALA 1250N 1.49 0.66 -0.38 -0.78 0.00 -1.73 0.43 119.26 118.95 1fk8 h ALA 1250Ca 0.43 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1fk8 h ALA 1250Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1fk8 h ALA 1250CO -0.27 0.13 -0.18 0.28 0.00 0.00 0.00 179.25 179.20 1fk8 h VAL 1251N 0.70 1.26 0.14 0.00 2.07 -0.86 -1.99 116.25 117.56 1fk8 h VAL 1251Ca 0.19 -1.25 -0.29 0.00 0.82 0.00 0.00 66.70 66.16 1fk8 h VAL 1251Cb -0.04 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1fk8 h VAL 1251CO -0.04 0.42 -1.39 0.24 0.02 0.00 0.00 177.57 176.82 1fk8 h MET 1252N 0.65 0.29 -2.13 1.57 2.07 -0.83 -3.39 114.93 113.15 1fk8 h MET 1252Ca 0.10 -0.50 -0.56 0.00 -2.07 0.00 0.00 59.70 56.67 1fk8 h MET 1252Cb 0.66 0.18 -0.41 0.00 -1.87 0.00 0.00 31.60 30.17 1fk8 h MET 1252CO 0.05 1.20 -0.86 0.54 1.07 0.00 0.00 176.91 178.91 1fk8 n ARG 1253N -3.52 1.96 -0.16 1.72 1.74 0.15 -4.94 116.66 113.60 1fk8 n ARG 1253Ca -0.13 -4.10 0.03 0.00 -0.77 0.00 0.00 57.85 52.88 1fk8 n ARG 1253Cb 1.04 -1.89 0.32 0.00 -1.02 0.00 0.00 32.46 30.91 1fk8 n ARG 1253CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1fk8 h PRO 1254N 3.56 0.81 -0.27 5.56 0.13 -1.54 -2.62 132.00 137.63 1fk8 h PRO 1254Ca 0.13 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1fk8 h PRO 1254Cb 0.74 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1fk8 h PRO 1254CO 0.67 0.54 0.00 0.25 -0.23 0.00 0.00 178.00 179.23 1fk8 n THR 1255N -4.45 0.34 -4.07 1.56 -2.24 -1.26 -4.86 114.28 99.30 1fk8 n THR 1255Ca 0.08 -0.58 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 1fk8 n THR 1255Cb 0.11 0.84 -0.15 0.00 -2.10 0.00 0.00 70.33 69.02 1fk8 n THR 1255CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1fk8 s GLN 1256N -1.66 3.09 0.00 -0.78 0.74 -0.99 -5.29 119.66 114.78 1fk8 s GLN 1256Ca 0.36 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.99 1fk8 s GLN 1256Cb 0.21 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.63 1fk8 s GLN 1256CO 0.30 -0.21 0.00 1.97 -0.55 0.00 0.00 175.29 176.80