#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqn n SER 1027N 0.00 4.02 -0.49 0.55 2.88 -1.26 -4.76 113.62 114.56 1oqn n SER 1027Ca 0.00 1.02 0.40 0.00 -1.33 0.00 0.00 58.87 58.96 1oqn n SER 1027Cb 0.00 -1.56 0.69 0.00 -0.75 0.00 0.00 64.21 62.60 1oqn n SER 1027CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1oqn h GLU 1028N 7.71 0.07 -0.18 -1.46 4.81 -2.04 0.38 114.58 123.86 1oqn h GLU 1028Ca -0.45 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.59 1oqn h GLU 1028Cb 1.21 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1oqn h GLU 1028CO 0.95 0.05 -0.63 0.00 -0.73 0.00 0.00 179.01 178.64 1oqn h ALA 1029N 1.44 0.33 -0.05 2.92 0.00 -1.99 -1.33 119.26 120.57 1oqn h ALA 1029Ca 0.81 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 1oqn h ALA 1029Cb 2.76 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 20.52 1oqn h ALA 1029CO -0.27 0.60 -0.88 1.79 0.00 0.00 0.00 179.25 180.49 1oqn h THR 1030N 0.48 1.34 -0.01 0.00 1.35 -0.76 -2.76 112.91 112.55 1oqn h THR 1030Ca -0.03 -2.23 -0.09 0.00 -0.55 0.00 0.00 66.41 63.52 1oqn h THR 1030Cb 1.26 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.91 1oqn h THR 1030CO 0.13 0.68 -0.40 0.25 -0.25 0.00 0.00 175.52 175.94 1oqn h LEU 1031N 0.35 0.02 -0.42 3.87 5.85 -0.75 -0.26 115.31 123.97 1oqn h LEU 1031Ca -0.07 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.49 1oqn h LEU 1031Cb 1.50 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 1oqn h LEU 1031CO 0.16 0.42 -0.69 0.40 -0.34 0.00 0.00 178.44 178.39 1oqn h ILE 1032N 0.02 1.36 -0.01 4.05 2.04 -1.21 -2.78 117.51 120.98 1oqn h ILE 1032Ca -0.00 -2.48 -0.22 0.00 1.00 0.00 0.00 64.86 63.15 1oqn h ILE 1032Cb 0.71 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1oqn h ILE 1032CO 0.05 0.68 -0.92 0.11 0.00 0.00 0.00 178.15 178.07 1oqn h LYS 1033N 0.00 0.40 -0.61 2.37 1.57 -1.07 -2.44 116.57 116.80 1oqn h LYS 1033Ca -0.01 -0.43 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 1oqn h LYS 1033Cb 1.34 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.74 1oqn h LYS 1033CO 0.09 1.09 0.17 -0.09 -0.57 0.00 0.00 179.45 180.14 1oqn h ARG 1034N 0.23 0.93 -0.02 3.15 2.43 -0.96 -3.01 114.38 117.13 1oqn h ARG 1034Ca -0.07 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1oqn h ARG 1034Cb 1.55 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1oqn h ARG 1034CO 0.16 0.81 -0.22 1.19 -1.51 0.00 0.00 179.97 180.40 1oqn n PHE 1035N -4.27 0.00 -1.62 2.20 0.99 -1.06 -3.80 117.46 109.91 1oqn n PHE 1035Ca 0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.13 1oqn n PHE 1035Cb 0.22 -0.00 0.08 0.00 -1.00 0.00 0.00 39.48 38.78 1oqn n PHE 1035CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1oqn s LYS 1036N -2.23 2.36 4.84 -1.08 2.20 -0.92 -3.00 119.74 121.91 1oqn s LYS 1036Ca 0.24 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1oqn s LYS 1036Cb 0.19 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.68 1oqn s LYS 1036CO 0.43 -1.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.10 1oqn n GLY 1037N 0.83 3.39 0.11 5.54 0.00 -1.26 -0.94 105.19 112.85 1oqn n GLY 1037Ca 0.15 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.41 1oqn n GLY 1037CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oqn n GLU 1038N 14.00 0.17 0.00 1.61 1.02 -1.26 -4.62 120.64 131.56 1oqn n GLU 1038Ca 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1oqn n GLU 1038Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1oqn n GLU 1038CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oqn n GLY 1039N 0.03 -0.05 3.77 0.62 0.00 -0.12 -4.49 105.19 104.96 1oqn n GLY 1039Ca 0.02 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1oqn n GLY 1039CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oqn s VAL 1040N 0.00 3.78 0.00 1.61 1.01 -0.72 -4.81 120.40 121.28 1oqn s VAL 1040Ca 0.00 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.51 1oqn s VAL 1040Cb 0.00 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1oqn s VAL 1040CO 0.00 0.15 -0.05 -0.60 0.00 0.00 0.00 175.10 174.59 1oqn s ARG 1041N -2.09 2.59 -0.06 2.72 3.52 -1.26 -0.88 118.95 123.50 1oqn s ARG 1041Ca 0.52 -0.71 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 1oqn s ARG 1041Cb -0.24 -2.53 0.04 0.00 -1.56 0.00 0.00 34.95 30.66 1oqn s ARG 1041CO 0.30 0.60 0.11 0.71 -0.81 0.00 0.00 175.30 176.22 1oqn s TYR 1042N -1.02 -0.10 0.04 5.12 2.02 0.12 -4.96 117.35 118.58 1oqn s TYR 1042Ca 0.18 0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 56.99 1oqn s TYR 1042Cb -0.11 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 1oqn s TYR 1042CO 0.08 -0.18 0.97 0.21 -1.57 0.00 0.00 175.55 175.07 1oqn s LYS 1043N 1.56 4.61 0.19 -0.62 2.20 -1.26 0.19 119.74 126.62 1oqn s LYS 1043Ca -0.04 1.44 -0.12 0.00 -0.36 0.00 0.00 55.97 56.89 1oqn s LYS 1043Cb -0.12 -3.43 0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1oqn s LYS 1043CO -0.05 0.05 0.59 0.00 -0.36 0.00 0.00 175.35 175.58 1oqn n ALA 1044N 3.46 -1.44 -2.60 3.13 0.00 -0.11 -1.74 120.51 121.20 1oqn n ALA 1044Ca 0.05 -0.75 -0.22 0.00 0.00 0.00 0.00 53.44 52.52 1oqn n ALA 1044Cb 0.50 0.52 -0.13 0.00 0.00 0.00 0.00 19.45 20.35 1oqn n ALA 1044CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1oqn s LYS 1045N -2.05 1.04 -0.37 0.00 1.02 0.76 0.37 119.74 120.51 1oqn s LYS 1045Ca 0.13 -0.95 -0.23 0.00 0.02 0.00 0.00 55.97 54.94 1oqn s LYS 1045Cb -0.03 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.16 1oqn s LYS 1045CO 0.06 0.27 0.78 -1.17 -0.92 0.00 0.00 175.35 174.37 1oqn s LEU 1046N -1.51 4.14 0.02 3.17 2.96 -0.23 -1.12 118.68 126.12 1oqn s LEU 1046Ca 0.03 0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 54.04 1oqn s LEU 1046Cb -0.09 -3.01 -0.18 0.00 0.50 0.00 0.00 46.19 43.40 1oqn s LEU 1046CO 0.02 -0.75 1.21 0.40 -1.32 0.00 0.00 176.35 175.92 1oqn h ILE 1047N 5.78 1.40 0.00 6.68 2.04 -1.49 -3.34 117.51 128.58 1oqn h ILE 1047Ca -0.25 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1oqn h ILE 1047Cb 1.09 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1oqn h ILE 1047CO 0.91 0.51 0.00 0.61 0.00 0.00 0.00 178.15 180.19 1oqn n GLY 1048N 0.68 0.86 3.07 5.37 0.00 -1.16 -4.85 105.19 109.17 1oqn n GLY 1048Ca -0.08 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 1oqn n GLY 1048CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqn s ILE 1049N -2.00 1.31 0.01 -0.61 1.01 -1.26 -0.94 121.20 118.71 1oqn s ILE 1049Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1oqn s ILE 1049Cb 0.00 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1oqn s ILE 1049CO 0.00 0.39 -0.08 -0.62 0.00 0.00 0.00 174.94 174.63 1oqn s ASP 1050N 0.45 0.92 -0.16 3.58 2.15 -0.11 -4.96 116.67 118.55 1oqn s ASP 1050Ca -0.12 -0.22 -0.27 0.00 0.43 0.00 0.00 52.55 52.37 1oqn s ASP 1050Cb -0.15 -0.08 -0.01 0.00 -0.30 0.00 0.00 42.92 42.39 1oqn s ASP 1050CO 0.04 0.04 0.92 -1.83 -0.17 0.00 0.00 175.17 174.17 1oqn s GLU 1051N -0.46 4.34 0.49 4.34 -1.05 -1.26 0.97 118.70 126.06 1oqn s GLU 1051Ca 0.01 1.19 0.03 0.00 -0.15 0.00 0.00 54.97 56.05 1oqn s GLU 1051Cb -0.04 -3.57 -0.02 0.00 -0.44 0.00 0.00 34.13 30.06 1oqn s GLU 1051CO -0.00 -0.36 0.08 0.14 0.95 0.00 0.00 175.26 176.06 1oqn s VAL 1052N 2.24 1.48 -0.23 1.83 -7.23 -1.17 -4.92 120.40 112.40 1oqn s VAL 1052Ca 0.42 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1oqn s VAL 1052Cb -0.17 -2.38 -0.20 0.00 0.56 0.00 0.00 36.38 34.20 1oqn s VAL 1052CO 0.13 0.00 -0.09 -1.54 -0.31 0.00 0.00 175.10 173.29 1oqn n SER 1053N -1.28 1.58 -4.93 4.85 3.41 -1.26 -4.20 113.62 111.79 1oqn n SER 1053Ca -0.13 -0.06 -0.19 0.00 -0.26 0.00 0.00 58.87 58.23 1oqn n SER 1053Cb 0.66 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1oqn n SER 1053CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqn s ALA 1054N -2.52 4.21 -1.42 7.33 0.00 -1.26 -4.82 121.76 123.28 1oqn s ALA 1054Ca -0.28 -1.74 0.25 0.00 0.00 0.00 0.00 51.96 50.19 1oqn s ALA 1054Cb 0.08 -1.31 0.54 0.00 0.00 0.00 0.00 23.12 22.43 1oqn s ALA 1054CO 0.67 -0.19 1.43 0.00 0.00 0.00 0.00 175.76 177.67 1oqn n ALA 1055N -1.64 3.41 -3.34 0.00 0.00 -1.26 -4.87 120.51 112.81 1oqn n ALA 1055Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.07 1oqn n ALA 1055Cb 0.60 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 18.98 1oqn n ALA 1055CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1oqn n ARG 1056N -1.01 0.48 0.00 0.00 1.85 -1.26 -3.73 116.66 112.99 1oqn n ARG 1056Ca 0.09 -0.94 0.00 0.00 -1.00 0.00 0.00 57.85 56.00 1oqn n ARG 1056Cb 0.35 1.17 0.00 0.00 -1.05 0.00 0.00 32.46 32.93 1oqn n ARG 1056CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1oqn n GLY 1057N -0.23 2.88 0.13 2.89 0.00 -1.26 -4.81 105.19 104.79 1oqn n GLY 1057Ca -0.04 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1oqn n GLY 1057CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oqn h ASP 1058N 0.00 -0.20 -0.52 1.61 3.32 -1.99 -2.01 116.42 116.63 1oqn h ASP 1058Ca 0.00 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 56.83 1oqn h ASP 1058Cb 0.00 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1oqn h ASP 1058CO 0.00 0.18 0.26 0.11 -1.72 0.00 0.00 179.24 178.07 1oqn h LYS 1059N -0.61 0.49 -0.70 3.56 1.79 -1.97 0.95 116.57 120.09 1oqn h LYS 1059Ca -0.02 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1oqn h LYS 1059Cb 0.45 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1oqn h LYS 1059CO 0.04 0.32 0.37 1.25 -1.08 0.00 0.00 179.45 180.35 1oqn h LEU 1060N 0.50 0.88 -0.41 2.94 5.85 -1.89 0.25 115.31 123.43 1oqn h LEU 1060Ca 0.23 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1oqn h LEU 1060Cb 0.15 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1oqn h LEU 1060CO -0.17 0.74 -0.15 0.00 -0.34 0.00 0.00 178.44 178.52 1oqn n GLN 1062N -0.70 0.70 -0.03 0.00 7.27 0.32 -3.83 117.38 121.10 1oqn n GLN 1062Ca 0.14 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.33 1oqn n GLN 1062Cb 0.31 -1.71 -0.09 0.00 2.41 0.00 0.00 30.24 31.16 1oqn n GLN 1062CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1oqn h ASP 1063N 0.03 0.17 -0.33 1.69 3.45 -0.53 -3.20 116.42 117.70 1oqn h ASP 1063Ca -0.39 -0.51 0.07 0.00 0.43 0.00 0.00 57.03 56.63 1oqn h ASP 1063Cb 2.03 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 40.74 1oqn h ASP 1063CO 0.07 0.64 0.23 -1.28 -1.57 0.00 0.00 179.24 177.32 1oqn h SER 1064N -0.30 0.13 -0.07 6.45 0.87 -1.67 -1.36 113.55 117.60 1oqn h SER 1064Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1oqn h SER 1064Cb 0.60 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1oqn h SER 1064CO 0.02 0.09 0.01 -0.03 -0.53 0.00 0.00 176.83 176.38 1oqn h MET 1065N 0.15 0.11 -0.78 2.24 1.85 -1.66 -2.18 114.93 114.67 1oqn h MET 1065Ca 0.15 -0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.23 1oqn h MET 1065Cb 0.40 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.37 1oqn h MET 1065CO -0.02 0.36 0.51 0.52 -0.40 0.00 0.00 176.91 177.88 1oqn h MET 1066N -0.15 0.95 -0.51 0.39 2.07 -1.28 0.46 114.93 116.86 1oqn h MET 1066Ca 0.02 -0.06 -0.07 0.00 -2.07 0.00 0.00 59.70 57.52 1oqn h MET 1066Cb 0.31 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 29.80 1oqn h MET 1066CO 0.00 0.63 0.05 -0.22 1.07 0.00 0.00 176.91 178.44 1oqn h LYS 1067N 0.98 0.87 -0.18 1.72 3.64 -1.18 -1.95 116.57 120.47 1oqn h LYS 1067Ca 0.30 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1oqn h LYS 1067Cb -0.00 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1oqn h LYS 1067CO -0.08 0.87 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.59 1oqn h LEU 1068N 0.74 0.58 -1.31 5.20 3.38 -0.73 -2.57 115.31 120.61 1oqn h LEU 1068Ca 0.15 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.62 1oqn h LEU 1068Cb 0.45 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1oqn h LEU 1068CO 0.02 1.01 0.48 0.11 0.09 0.00 0.00 178.44 180.15 1oqn h LYS 1069N 0.17 0.87 -0.54 1.13 1.79 -0.90 -1.58 116.57 117.52 1oqn h LYS 1069Ca 0.01 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 1oqn h LYS 1069Cb 0.90 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1oqn h LYS 1069CO 0.07 0.58 0.00 0.78 -1.08 0.00 0.00 179.45 179.80 1oqn h GLY 1070N 0.90 0.99 0.95 3.86 0.00 -1.28 0.32 103.07 108.81 1oqn h GLY 1070Ca 0.29 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1oqn h GLY 1070CO -0.08 0.64 0.11 -2.08 0.00 0.00 0.00 176.54 175.13 1oqn h VAL 1071N 0.85 1.23 -0.26 4.60 2.07 -0.95 -1.13 116.25 122.66 1oqn h VAL 1071Ca 0.16 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1oqn h VAL 1071Cb 0.50 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1oqn h VAL 1071CO 0.02 0.28 0.16 0.58 0.02 0.00 0.00 177.57 178.63 1oqn h VAL 1072N 0.57 1.10 -0.37 2.57 2.07 -0.83 -2.20 116.25 119.17 1oqn h VAL 1072Ca 0.14 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1oqn h VAL 1072Cb 0.31 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1oqn h VAL 1072CO 0.00 0.10 0.11 0.00 0.02 0.00 0.00 177.57 177.80 1oqn h ALA 1073N 1.05 0.42 0.00 1.67 0.00 -0.09 -1.21 119.26 121.10 1oqn h ALA 1073Ca 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1oqn h ALA 1073Cb 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1oqn h ALA 1073CO -0.02 -0.29 -0.11 0.78 0.00 0.00 0.00 179.25 179.61 1oqn h GLY 1074N 0.25 0.00 2.00 0.00 0.00 -1.03 -2.34 103.07 101.96 1oqn h GLY 1074Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 1oqn h GLY 1074CO -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.01 1oqn h ALA 1075N 1.89 0.97 -0.28 3.60 0.00 -0.59 -3.14 119.26 121.71 1oqn h ALA 1075Ca -0.00 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.69 1oqn h ALA 1075Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1oqn h ALA 1075CO 0.01 0.41 0.26 0.00 0.00 0.00 0.00 179.25 179.94 1oqn h ARG 1076N 0.00 0.00 0.00 0.00 3.08 -1.04 0.65 114.38 117.07 1oqn h ARG 1076Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1oqn h ARG 1076Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1oqn h ARG 1076CO 0.04 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.60 1oqn h SER 1077N 0.00 0.00 -0.36 7.04 4.64 -1.72 -2.30 113.55 120.86 1oqn h SER 1077Ca 0.13 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 1oqn h SER 1077Cb 0.65 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.69 1oqn h SER 1077CO -0.00 0.00 0.03 0.29 -0.87 0.00 0.00 176.83 176.28 1oqn n LYS 1078N -2.32 2.78 -2.44 4.77 5.02 0.19 -4.93 118.16 121.23 1oqn n LYS 1078Ca 0.02 -2.97 -0.17 0.00 -2.02 0.00 0.00 58.31 53.17 1oqn n LYS 1078Cb 0.22 -1.90 -0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1oqn n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oqn n GLY 1079N -0.61 -0.34 3.86 0.72 0.00 -0.86 -4.99 105.19 102.97 1oqn n GLY 1079Ca 0.27 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1oqn n GLY 1079CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oqn s GLU 1080N -4.99 3.79 -0.03 1.61 0.41 -1.05 -5.02 118.70 113.42 1oqn s GLU 1080Ca 0.05 0.69 -0.08 0.00 -0.41 0.00 0.00 54.97 55.23 1oqn s GLU 1080Cb -0.02 -2.23 0.01 0.00 -1.78 0.00 0.00 34.13 30.11 1oqn s GLU 1080CO 0.06 -0.25 0.17 -1.01 -0.49 0.00 0.00 175.26 173.74 1oqn s HIS 1081N -2.67 -0.07 0.56 1.61 3.76 -1.26 -4.52 115.29 112.69 1oqn s HIS 1081Ca 0.55 0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 55.41 1oqn s HIS 1081Cb -0.10 0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.55 1oqn s HIS 1081CO 0.37 -0.23 1.12 0.15 -0.85 0.00 0.00 174.74 175.31 1oqn s LYS 1082N -0.82 3.31 -0.05 1.40 1.02 -1.26 -4.95 119.74 118.39 1oqn s LYS 1082Ca -0.09 1.57 -0.30 0.00 0.02 0.00 0.00 55.97 57.17 1oqn s LYS 1082Cb -0.05 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1oqn s LYS 1082CO 0.01 -0.88 1.32 -1.14 -0.92 0.00 0.00 175.35 173.75 1oqn s GLN 1083N -3.39 4.29 0.03 1.68 0.74 -1.25 -4.85 119.66 116.90 1oqn s GLN 1083Ca 0.72 1.83 -0.30 0.00 0.05 0.00 0.00 55.36 57.65 1oqn s GLN 1083Cb -0.23 -3.62 -0.05 0.00 1.10 0.00 0.00 33.01 30.21 1oqn s GLN 1083CO 0.28 -0.56 1.25 0.15 -0.55 0.00 0.00 175.29 175.87 1oqn s LYS 1084N 2.59 4.38 0.26 1.67 1.02 -1.26 -1.07 119.74 127.33 1oqn s LYS 1084Ca 0.60 1.81 0.02 0.00 0.02 0.00 0.00 55.97 58.43 1oqn s LYS 1084Cb -0.28 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1oqn s LYS 1084CO 0.23 -0.38 0.17 0.96 -0.92 0.00 0.00 175.35 175.42 1oqn s ILE 1085N 1.56 0.10 0.00 2.17 -4.36 0.16 -2.38 121.20 118.45 1oqn s ILE 1085Ca 0.60 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 1oqn s ILE 1085Cb -0.29 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 40.90 1oqn s ILE 1085CO 0.27 0.00 -0.07 0.72 0.24 0.00 0.00 174.94 176.11 1oqn s PHE 1086N -3.84 0.59 0.14 1.37 -0.12 -0.62 -0.94 117.98 114.57 1oqn s PHE 1086Ca 0.39 -0.17 0.08 0.00 -0.05 0.00 0.00 56.93 57.18 1oqn s PHE 1086Cb 0.05 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 1oqn s PHE 1086CO 0.17 -0.02 -0.19 -0.48 -0.05 0.00 0.00 175.22 174.66 1oqn s LEU 1087N -0.40 2.40 0.05 -1.99 0.05 0.13 -1.23 118.68 117.69 1oqn s LEU 1087Ca 0.00 -0.81 0.09 0.00 0.05 0.00 0.00 54.13 53.47 1oqn s LEU 1087Cb -0.04 -0.83 -0.03 0.00 -2.05 0.00 0.00 46.19 43.24 1oqn s LEU 1087CO -0.00 -0.01 -0.26 0.42 -0.55 0.00 0.00 176.35 175.95 1oqn s THR 1088N -1.79 2.22 -0.21 5.48 -4.23 -0.68 0.11 115.64 116.54 1oqn s THR 1088Ca 0.13 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1oqn s THR 1088Cb -0.07 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.90 1oqn s THR 1088CO 0.06 0.34 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.73 1oqn s ILE 1089N -0.84 2.66 0.12 2.99 -1.09 -0.06 -2.23 121.20 122.76 1oqn s ILE 1089Ca 0.12 -0.79 -0.04 0.00 -2.23 0.00 0.00 60.65 57.71 1oqn s ILE 1089Cb -0.10 -2.20 0.02 0.00 -1.58 0.00 0.00 42.46 38.60 1oqn s ILE 1089CO 0.03 0.44 0.22 -1.54 -1.23 0.00 0.00 174.94 172.86 1oqn n SER 1090N 4.69 -0.65 0.00 3.58 3.41 -0.80 -1.75 113.62 122.11 1oqn n SER 1090Ca -0.19 -1.49 0.05 0.00 -0.26 0.00 0.00 58.87 56.98 1oqn n SER 1090Cb 0.50 1.09 0.20 0.00 -0.26 0.00 0.00 64.21 65.74 1oqn n SER 1090CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1oqn n PHE 1091N -0.16 0.02 1.46 7.33 3.72 -1.16 0.04 117.46 128.70 1oqn n PHE 1091Ca -0.02 0.01 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 1oqn n PHE 1091Cb 0.18 -0.51 0.51 0.00 -0.94 0.00 0.00 39.48 38.71 1oqn n PHE 1091CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oqn n GLY 1092N -0.56 -0.18 1.80 1.37 0.00 -1.26 -4.78 105.19 101.58 1oqn n GLY 1092Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1oqn n GLY 1092CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oqn n GLY 1093N 1.21 0.85 3.53 -0.02 0.00 0.11 -3.96 105.19 106.91 1oqn n GLY 1093Ca 0.18 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1oqn n GLY 1093CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqn s ILE 1094N 0.00 4.20 -0.01 -0.61 1.01 -0.36 -1.90 121.20 123.53 1oqn s ILE 1094Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1oqn s ILE 1094Cb 0.00 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1oqn s ILE 1094CO 0.00 0.47 -0.22 -0.54 0.00 0.00 0.00 174.94 174.64 1oqn s LYS 1095N 0.52 1.77 -0.21 2.79 1.02 -0.95 -0.22 119.74 124.46 1oqn s LYS 1095Ca -0.01 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 1oqn s LYS 1095Cb -0.14 -1.73 -0.00 0.00 -0.52 0.00 0.00 37.83 35.44 1oqn s LYS 1095CO 0.02 0.47 -0.08 0.42 -0.92 0.00 0.00 175.35 175.27 1oqn s ILE 1096N -0.54 3.10 -0.06 2.17 1.01 0.87 -1.69 121.20 126.06 1oqn s ILE 1096Ca 0.09 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1oqn s ILE 1096Cb -0.09 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1oqn s ILE 1096CO -0.01 0.45 -0.11 -0.36 0.00 0.00 0.00 174.94 174.91 1oqn s PHE 1097N 1.43 2.80 0.05 3.97 0.40 -0.36 -0.24 117.98 126.03 1oqn s PHE 1097Ca 0.06 -0.08 -0.31 0.00 -0.60 0.00 0.00 56.93 56.00 1oqn s PHE 1097Cb -0.14 -1.66 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 1oqn s PHE 1097CO -0.05 0.25 1.24 0.34 0.70 0.00 0.00 175.22 177.69 1oqn s ASP 1098N -0.77 7.03 0.21 1.36 -1.08 -0.19 -1.59 116.67 121.64 1oqn s ASP 1098Ca 0.12 2.04 -0.10 0.00 -0.52 0.00 0.00 52.55 54.09 1oqn s ASP 1098Cb -0.11 -2.58 0.16 0.00 -1.46 0.00 0.00 42.92 38.94 1oqn s ASP 1098CO 0.01 -0.52 1.87 -0.08 0.52 0.00 0.00 175.17 176.97 1oqn h GLU 1099N 6.95 1.03 0.30 4.34 4.81 -1.77 0.39 114.58 130.62 1oqn h GLU 1099Ca -0.41 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1oqn h GLU 1099Cb 1.21 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1oqn h GLU 1099CO 0.83 0.70 -0.14 -0.22 -0.73 0.00 0.00 179.01 179.45 1oqn h LYS 1100N 1.05 -0.39 -0.01 1.92 3.64 -1.92 -3.33 116.57 117.54 1oqn h LYS 1100Ca 0.28 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1oqn h LYS 1100Cb -0.09 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1oqn h LYS 1100CO -0.06 -0.09 -0.54 0.25 -2.27 0.00 0.00 179.45 176.74 1oqn n THR 1101N -5.14 0.00 -0.57 1.00 -2.24 -1.23 -4.96 114.28 101.12 1oqn n THR 1101Ca -0.10 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1oqn n THR 1101Cb 0.25 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1oqn n THR 1101CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oqn n GLY 1102N 1.43 0.73 3.74 3.38 0.00 0.14 -4.96 105.19 109.65 1oqn n GLY 1102Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1oqn n GLY 1102CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqn s ALA 1103N -2.38 3.60 -0.17 4.61 0.00 -1.25 -4.56 121.76 121.62 1oqn s ALA 1103Ca 0.00 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 1oqn s ALA 1103Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1oqn s ALA 1103CO 0.00 -0.68 1.37 -1.17 0.00 0.00 0.00 175.76 175.28 1oqn s LEU 1104N -0.30 4.14 -0.13 0.00 2.96 -1.26 -1.03 118.68 123.07 1oqn s LEU 1104Ca 0.59 1.72 0.15 0.00 -0.22 0.00 0.00 54.13 56.37 1oqn s LEU 1104Cb -0.40 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.54 1oqn s LEU 1104CO 0.42 -0.87 0.13 0.00 -1.32 0.00 0.00 176.35 174.70 1oqn n GLN 1105N 6.89 1.20 -3.76 1.98 6.02 0.67 -4.97 117.38 125.40 1oqn n GLN 1105Ca 0.15 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 56.96 1oqn n GLN 1105Cb 0.45 -1.41 -0.15 0.00 1.02 0.00 0.00 30.24 30.15 1oqn n GLN 1105CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1oqn s HIS 1106N -2.57 -0.11 -0.24 1.08 3.76 -1.08 -4.98 115.29 111.16 1oqn s HIS 1106Ca -0.08 0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 55.19 1oqn s HIS 1106Cb 0.06 -0.11 0.07 0.00 1.11 0.00 0.00 32.58 33.71 1oqn s HIS 1106CO 0.67 -0.13 0.04 -1.58 -0.85 0.00 0.00 174.74 172.88 1oqn s HIS 1107N 1.01 1.57 -0.41 1.40 2.46 -1.26 -0.09 115.29 119.98 1oqn s HIS 1107Ca -0.08 -1.35 -0.03 0.00 0.47 0.00 0.00 55.06 54.06 1oqn s HIS 1107Cb -0.11 -1.38 0.11 0.00 -0.13 0.00 0.00 32.58 31.07 1oqn s HIS 1107CO -0.04 -0.73 0.20 -1.01 -2.47 0.00 0.00 174.74 170.68 1oqn s HIS 1108N 1.67 3.55 0.58 3.88 3.76 0.69 -4.99 115.29 124.43 1oqn s HIS 1108Ca 0.01 -2.31 -0.20 0.00 -0.15 0.00 0.00 55.06 52.41 1oqn s HIS 1108Cb -0.18 -3.16 -0.05 0.00 1.11 0.00 0.00 32.58 30.31 1oqn s HIS 1108CO -0.13 -0.96 1.14 0.00 -0.85 0.00 0.00 174.74 173.94 1oqn n ALA 1109N 4.63 0.75 -0.20 -1.40 0.00 -1.25 -1.23 120.51 121.80 1oqn n ALA 1109Ca -0.04 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1oqn n ALA 1109Cb 0.41 -2.22 0.12 0.00 0.00 0.00 0.00 19.45 17.76 1oqn n ALA 1109CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1oqn h VAL 1110N 0.85 0.59 0.00 0.00 2.07 -1.87 -1.05 116.25 116.85 1oqn h VAL 1110Ca -0.49 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1oqn h VAL 1110Cb 1.34 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1oqn h VAL 1110CO 0.53 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.17 1oqn n HIS 1111N -5.16 0.21 0.57 1.57 -0.00 -1.26 -1.63 115.22 109.51 1oqn n HIS 1111Ca 0.09 0.09 0.11 0.00 -0.00 0.00 0.00 57.72 58.01 1oqn n HIS 1111Cb 0.34 -0.64 -0.03 0.00 -0.00 0.00 0.00 29.99 29.66 1oqn n HIS 1111CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1oqn n GLU 1112N -1.70 0.29 -3.24 -1.40 1.02 -0.42 -4.86 120.64 110.33 1oqn n GLU 1112Ca 0.02 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 1oqn n GLU 1112Cb 0.14 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.93 1oqn n GLU 1112CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1oqn s ILE 1113N -3.21 5.12 -0.16 -3.67 1.01 -0.65 -1.74 121.20 117.91 1oqn s ILE 1113Ca 0.03 1.01 0.06 0.00 0.00 0.00 0.00 60.65 61.75 1oqn s ILE 1113Cb 0.15 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 1oqn s ILE 1113CO 0.83 0.22 -0.07 -1.54 0.00 0.00 0.00 174.94 174.38 1oqn n SER 1114N 4.40 2.29 -3.86 3.58 3.41 -0.83 -4.98 113.62 117.62 1oqn n SER 1114Ca -0.05 -0.06 -0.12 0.00 -0.26 0.00 0.00 58.87 58.39 1oqn n SER 1114Cb 0.51 0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 64.49 1oqn n SER 1114CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1oqn s TYR 1115N -2.33 -0.04 -0.06 7.33 6.14 -1.24 -4.94 117.35 122.20 1oqn s TYR 1115Ca -0.16 0.10 0.04 0.00 0.64 0.00 0.00 57.07 57.69 1oqn s TYR 1115Cb 0.05 0.01 -0.02 0.00 0.42 0.00 0.00 41.96 42.42 1oqn s TYR 1115CO 0.45 -0.03 -0.19 0.42 0.64 0.00 0.00 175.55 176.84 1oqn s ILE 1116N -0.02 2.60 -0.19 3.14 -1.09 -1.26 -1.78 121.20 122.59 1oqn s ILE 1116Ca -0.00 -0.88 -0.10 0.00 -2.23 0.00 0.00 60.65 57.43 1oqn s ILE 1116Cb -0.01 -1.99 0.06 0.00 -1.58 0.00 0.00 42.46 38.94 1oqn s ILE 1116CO 0.00 0.57 0.46 0.00 -1.23 0.00 0.00 174.94 174.74 1oqn s ALA 1117N -0.36 -1.21 0.77 9.38 0.00 -0.78 -5.01 121.76 124.56 1oqn s ALA 1117Ca 0.03 1.70 -0.08 0.00 0.00 0.00 0.00 51.96 53.61 1oqn s ALA 1117Cb -0.12 -1.04 0.11 0.00 0.00 0.00 0.00 23.12 22.07 1oqn s ALA 1117CO 0.02 -0.30 1.08 -1.59 0.00 0.00 0.00 175.76 174.97 1oqn s LYS 1118N 1.49 1.71 -0.27 0.00 -2.85 -1.26 -1.04 119.74 117.51 1oqn s LYS 1118Ca -0.09 -0.48 -0.10 0.00 -1.00 0.00 0.00 55.97 54.30 1oqn s LYS 1118Cb -0.08 -2.13 -0.04 0.00 -2.06 0.00 0.00 37.83 33.52 1oqn s LYS 1118CO -0.14 -1.57 0.15 0.34 0.10 0.00 0.00 175.35 174.23 1oqn s ASP 1119N -4.65 5.69 0.20 0.03 3.68 -0.82 -4.85 116.67 115.94 1oqn s ASP 1119Ca 0.65 -0.13 -0.09 0.00 2.13 0.00 0.00 52.55 55.10 1oqn s ASP 1119Cb -0.08 -2.05 0.12 0.00 -1.45 0.00 0.00 42.92 39.47 1oqn s ASP 1119CO 0.47 -0.06 1.76 0.16 0.13 0.00 0.00 175.17 177.62 1oqn h ILE 1120N 5.45 1.25 -0.26 4.11 -0.00 -1.97 -2.87 117.51 123.22 1oqn h ILE 1120Ca -0.36 -0.77 0.00 0.00 -0.00 0.00 0.00 64.86 63.73 1oqn h ILE 1120Cb 1.18 0.41 0.00 0.00 -0.00 0.00 0.00 36.82 38.41 1oqn h ILE 1120CO 0.57 0.31 0.00 0.35 -0.00 0.00 0.00 178.15 179.38 1oqn n THR 1121N -4.36 0.35 -3.38 0.16 -2.24 -1.26 -4.72 114.28 98.82 1oqn n THR 1121Ca 0.06 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 1oqn n THR 1121Cb 0.17 0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 1oqn n THR 1121CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oqn s ASP 1122N -1.19 0.44 0.00 3.42 -1.08 -1.08 -5.02 116.67 112.15 1oqn s ASP 1122Ca 0.25 0.16 0.21 0.00 -0.52 0.00 0.00 52.55 52.65 1oqn s ASP 1122Cb 0.13 0.99 1.13 0.00 -1.46 0.00 0.00 42.92 43.70 1oqn s ASP 1122CO 0.18 -0.30 1.68 0.00 0.52 0.00 0.00 175.17 177.25 1oqn n HIS 1123N 5.36 0.00 -1.17 -5.34 1.44 -1.26 -3.26 115.22 110.99 1oqn n HIS 1123Ca -0.04 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.71 1oqn n HIS 1123Cb 0.50 -0.22 0.22 0.00 0.12 0.00 0.00 29.99 30.61 1oqn n HIS 1123CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1oqn n ARG 1124N -1.22 2.33 -3.86 -1.40 1.74 -1.26 -1.14 116.66 111.85 1oqn n ARG 1124Ca 0.12 -2.94 -0.12 0.00 -0.77 0.00 0.00 57.85 54.14 1oqn n ARG 1124Cb 0.15 -1.79 -0.12 0.00 -1.02 0.00 0.00 32.46 29.67 1oqn n ARG 1124CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oqn s ALA 1125N -2.99 -0.20 0.29 7.54 0.00 -1.20 -0.12 121.76 125.07 1oqn s ALA 1125Ca 0.42 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 1oqn s ALA 1125Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1oqn s ALA 1125CO 0.05 -0.08 0.50 -0.59 0.00 0.00 0.00 175.76 175.63 1oqn s PHE 1126N -0.34 0.56 0.30 0.00 -0.12 -0.53 -1.95 117.98 115.90 1oqn s PHE 1126Ca -0.04 -0.91 -0.11 0.00 -0.05 0.00 0.00 56.93 55.82 1oqn s PHE 1126Cb -0.03 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.53 1oqn s PHE 1126CO 0.00 -1.08 0.55 0.20 -0.05 0.00 0.00 175.22 174.84 1oqn s GLY 1127N -3.09 0.74 0.08 1.99 0.00 -0.21 -0.59 107.32 106.25 1oqn s GLY 1127Ca 0.24 -1.00 -0.26 0.00 0.00 0.00 0.00 44.72 43.70 1oqn s GLY 1127CO 0.12 -0.65 0.64 -2.52 0.00 0.00 0.00 173.10 170.70 1oqn s TYR 1128N -3.45 -0.58 -0.22 1.90 -0.85 -0.99 -1.86 117.35 111.30 1oqn s TYR 1128Ca 0.23 0.61 -0.09 0.00 -0.52 0.00 0.00 57.07 57.29 1oqn s TYR 1128Cb -0.02 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.78 1oqn s TYR 1128CO 0.13 -0.75 0.13 0.08 -1.52 0.00 0.00 175.55 173.61 1oqn s VAL 1129N -2.82 5.15 0.11 -3.49 1.01 -0.74 -0.99 120.40 118.63 1oqn s VAL 1129Ca -0.03 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1oqn s VAL 1129Cb -0.01 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1oqn s VAL 1129CO -0.05 0.39 0.02 0.00 0.00 0.00 0.00 175.10 175.46 1oqn n GLY 1131N 0.38 3.25 3.93 0.00 0.00 -0.71 -0.73 105.19 111.31 1oqn n GLY 1131Ca -0.10 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 1oqn n GLY 1131CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oqn s LYS 1132N -3.02 3.01 -0.03 1.61 1.02 -1.26 -4.77 119.74 116.30 1oqn s LYS 1132Ca 0.00 -0.11 -0.39 0.00 0.02 0.00 0.00 55.97 55.49 1oqn s LYS 1132Cb 0.00 -2.35 -0.18 0.00 -0.52 0.00 0.00 37.83 34.78 1oqn s LYS 1132CO 0.00 -0.55 1.29 0.39 -0.92 0.00 0.00 175.35 175.56 1oqn n GLU 1133N -2.43 0.59 -0.96 1.68 -0.58 -1.26 -1.37 120.64 116.31 1oqn n GLU 1133Ca 0.03 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1oqn n GLU 1133Cb 0.57 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1oqn n GLU 1133CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oqn n GLY 1134N 2.39 0.67 2.71 0.62 0.00 -1.26 -4.89 105.19 105.43 1oqn n GLY 1134Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 1oqn n GLY 1134CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1oqn n ASN 1135N 0.00 0.35 -4.81 1.61 5.15 -0.47 -5.12 115.26 111.97 1oqn n ASN 1135Ca 0.00 -2.43 -0.31 0.00 -0.60 0.00 0.00 54.58 51.24 1oqn n ASN 1135Cb 0.00 -0.02 0.05 0.00 -0.53 0.00 0.00 39.78 39.28 1oqn n ASN 1135CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1oqn s HIS 1136N -2.13 3.02 -0.10 1.20 3.76 -1.26 -4.31 115.29 115.49 1oqn s HIS 1136Ca 0.24 1.45 -0.09 0.00 -0.15 0.00 0.00 55.06 56.50 1oqn s HIS 1136Cb 0.41 -2.92 0.03 0.00 1.11 0.00 0.00 32.58 31.21 1oqn s HIS 1136CO -0.03 -1.30 0.27 1.03 -0.85 0.00 0.00 174.74 173.86 1oqn s ARG 1137N -4.91 0.32 -0.23 1.40 0.52 0.09 -3.07 118.95 113.08 1oqn s ARG 1137Ca 0.59 0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 56.10 1oqn s ARG 1137Cb -0.15 0.16 -0.02 0.00 0.52 0.00 0.00 34.95 35.46 1oqn s ARG 1137CO 0.53 -0.04 0.02 0.12 0.02 0.00 0.00 175.30 175.95 1oqn s PHE 1138N 0.10 3.03 -0.20 -0.53 5.36 0.27 -0.44 117.98 125.59 1oqn s PHE 1138Ca -0.00 -0.59 -0.09 0.00 -0.96 0.00 0.00 56.93 55.29 1oqn s PHE 1138Cb -0.02 -2.16 -0.05 0.00 -0.34 0.00 0.00 43.02 40.46 1oqn s PHE 1138CO 0.00 -0.39 0.10 0.08 -1.46 0.00 0.00 175.22 173.56 1oqn s VAL 1139N 1.42 5.15 -0.11 3.12 1.01 -0.17 -0.93 120.40 129.89 1oqn s VAL 1139Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1oqn s VAL 1139Cb -0.15 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1oqn s VAL 1139CO 0.01 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.46 1oqn s ALA 1140N 0.41 2.82 -0.01 5.51 0.00 -0.12 -2.36 121.76 128.02 1oqn s ALA 1140Ca 0.06 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1oqn s ALA 1140Cb -0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1oqn s ALA 1140CO -0.01 0.37 -0.14 0.42 0.00 0.00 0.00 175.76 176.40 1oqn s ILE 1141N -0.09 1.08 -0.38 0.00 1.09 0.24 -1.19 121.20 121.96 1oqn s ILE 1141Ca -0.00 -0.62 -0.05 0.00 -1.10 0.00 0.00 60.65 58.88 1oqn s ILE 1141Cb -0.13 -0.91 0.08 0.00 -1.06 0.00 0.00 42.46 40.44 1oqn s ILE 1141CO 0.03 0.28 0.16 -0.75 -0.10 0.00 0.00 174.94 174.56 1oqn s LYS 1142N -0.40 2.33 0.45 2.79 2.47 -0.28 -1.46 119.74 125.65 1oqn s LYS 1142Ca 0.05 -1.53 -0.20 0.00 -1.56 0.00 0.00 55.97 52.73 1oqn s LYS 1142Cb -0.05 -3.53 -0.10 0.00 -1.46 0.00 0.00 37.83 32.69 1oqn s LYS 1142CO -0.00 -0.89 0.98 0.95 0.16 0.00 0.00 175.35 176.55 1oqn s THR 1143N 1.27 4.20 0.15 3.43 -4.23 0.82 -0.17 115.64 121.11 1oqn s THR 1143Ca 0.03 1.35 -0.13 0.00 -1.18 0.00 0.00 61.69 61.75 1oqn s THR 1143Cb -0.22 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.09 1oqn s THR 1143CO -0.01 -0.32 1.62 0.00 -0.54 0.00 0.00 174.62 175.37 1oqn h ALA 1144N 1.72 0.65 -3.86 3.99 0.00 -1.64 -3.44 119.26 116.68 1oqn h ALA 1144Ca -0.49 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1oqn h ALA 1144Cb 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1oqn h ALA 1144CO 0.60 0.41 0.00 1.04 0.00 0.00 0.00 179.25 181.30 1oqn n GLN 1145N -4.39 1.54 -1.27 0.00 1.13 -1.26 -5.07 117.38 108.04 1oqn n GLN 1145Ca 0.01 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.72 1oqn n GLN 1145Cb 0.27 0.00 0.11 0.00 0.11 0.00 0.00 30.24 30.73 1oqn n GLN 1145CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1oqn n ALA 1146N -3.00 0.00 1.05 -1.58 0.00 -1.26 -4.72 120.51 111.00 1oqn n ALA 1146Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.32 1oqn n ALA 1146Cb 0.00 -2.20 0.36 0.00 0.00 0.00 0.00 19.45 17.61 1oqn n ALA 1146CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oqn n ALA 1147N -2.84 3.21 0.14 0.00 0.00 -0.29 -4.29 120.51 116.45 1oqn n ALA 1147Ca 0.14 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 1oqn n ALA 1147Cb 0.50 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 1oqn n ALA 1147CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1oqn h GLU 1148N 0.14 -0.65 -0.38 0.00 4.39 -1.91 -1.89 114.58 114.28 1oqn h GLU 1148Ca 0.00 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1oqn h GLU 1148Cb 0.49 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1oqn h GLU 1148CO 0.00 -0.43 0.26 -1.00 -1.16 0.00 0.00 179.01 176.67 1oqn h PRO 1149N -0.68 0.20 -0.18 2.33 0.13 -1.98 -1.62 132.00 130.19 1oqn h PRO 1149Ca 0.01 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1oqn h PRO 1149Cb 0.68 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1oqn h PRO 1149CO -0.20 0.13 -0.38 0.28 -0.23 0.00 0.00 178.00 177.60 1oqn h VAL 1150N 0.20 1.34 -0.85 1.56 2.07 -1.72 -1.67 116.25 117.18 1oqn h VAL 1150Ca 0.17 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1oqn h VAL 1150Cb 0.42 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1oqn h VAL 1150CO -0.03 0.50 0.50 0.40 0.02 0.00 0.00 177.57 178.95 1oqn h ILE 1151N 0.25 1.24 -0.22 4.57 1.08 -0.89 -1.61 117.51 121.93 1oqn h ILE 1151Ca 0.00 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1oqn h ILE 1151Cb 0.98 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1oqn h ILE 1151CO 0.08 0.26 0.08 -0.07 -0.69 0.00 0.00 178.15 177.82 1oqn h LEU 1152N 1.17 0.30 -0.69 1.44 -0.00 -1.24 -0.64 115.31 115.65 1oqn h LEU 1152Ca 0.30 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1oqn h LEU 1152Cb -0.02 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 1oqn h LEU 1152CO -0.05 0.40 0.44 0.44 -0.00 0.00 0.00 178.44 179.66 1oqn h ASP 1153N 0.20 0.80 -0.64 -0.43 3.32 -1.09 -1.22 116.42 117.37 1oqn h ASP 1153Ca 0.07 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1oqn h ASP 1153Cb 0.19 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1oqn h ASP 1153CO -0.01 0.60 0.36 -0.07 -1.72 0.00 0.00 179.24 178.41 1oqn h LEU 1154N 0.94 0.78 0.37 1.55 3.38 -1.11 0.27 115.31 121.49 1oqn h LEU 1154Ca 0.25 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1oqn h LEU 1154Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1oqn h LEU 1154CO -0.05 0.64 -0.26 -0.09 0.09 0.00 0.00 178.44 178.76 1oqn h ARG 1155N 0.87 -0.60 -0.87 1.13 2.43 -0.58 -1.03 114.38 115.73 1oqn h ARG 1155Ca 0.23 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1oqn h ARG 1155Cb 0.01 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1oqn h ARG 1155CO -0.04 -0.40 0.58 -0.44 -1.51 0.00 0.00 179.97 178.16 1oqn h ASP 1156N -0.62 1.00 -0.57 -3.80 3.45 -1.02 -1.57 116.42 113.30 1oqn h ASP 1156Ca -0.03 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 1oqn h ASP 1156Cb 0.53 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 1oqn h ASP 1156CO 0.01 0.72 0.30 0.25 -1.57 0.00 0.00 179.24 178.96 1oqn h LEU 1157N 1.18 0.73 -0.17 1.55 7.12 -0.77 0.26 115.31 125.22 1oqn h LEU 1157Ca 0.32 -0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.21 1oqn h LEU 1157Cb -0.14 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 39.80 1oqn h LEU 1157CO -0.07 0.63 0.08 -0.26 -0.13 0.00 0.00 178.44 178.69 1oqn h PHE 1158N 0.78 0.25 -0.52 1.25 0.05 -0.77 -1.90 116.94 116.06 1oqn h PHE 1158Ca 0.20 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.96 1oqn h PHE 1158Cb 0.08 -0.08 -0.02 0.00 2.00 0.00 0.00 35.95 37.93 1oqn h PHE 1158CO -0.01 0.29 0.27 0.37 -0.18 0.00 0.00 178.31 179.05 1oqn h GLN 1159N 0.13 0.74 0.09 1.51 4.15 -1.05 -2.22 115.11 118.46 1oqn h GLN 1159Ca 0.06 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1oqn h GLN 1159Cb 0.14 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1oqn h GLN 1159CO -0.01 0.60 -0.25 1.25 -1.93 0.00 0.00 178.83 178.49 1oqn h LEU 1160N 0.70 -0.73 -1.53 -2.39 5.85 -0.31 -1.62 115.31 115.28 1oqn h LEU 1160Ca 0.18 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.07 1oqn h LEU 1160Cb 0.08 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1oqn h LEU 1160CO -0.03 -0.34 0.42 0.40 -0.34 0.00 0.00 178.44 178.55 1oqn h ILE 1161N -0.44 0.97 -0.04 4.05 2.04 -1.20 -0.26 117.51 122.62 1oqn h ILE 1161Ca 0.04 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1oqn h ILE 1161Cb 0.48 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1oqn h ILE 1161CO -0.17 0.10 0.00 0.22 0.00 0.00 0.00 178.15 178.31 1oqn h TYR 1162N 0.56 0.07 0.49 1.37 3.20 -0.74 -1.11 116.97 120.81 1oqn h TYR 1162Ca 0.28 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1oqn h TYR 1162Cb 0.37 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1oqn h TYR 1162CO -0.00 0.32 -0.30 0.93 -1.64 0.00 0.00 178.16 177.47 1oqn h GLU 1163N -0.21 -0.72 -0.44 1.82 4.39 -0.66 -0.98 114.58 117.78 1oqn h GLU 1163Ca 0.01 0.05 0.12 0.00 0.34 0.00 0.00 59.36 59.88 1oqn h GLU 1163Cb 0.29 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1oqn h GLU 1163CO 0.00 -0.48 0.32 -0.07 -1.16 0.00 0.00 179.01 177.62 1oqn h LEU 1164N -0.75 0.05 -0.26 1.33 4.07 -1.10 -0.65 115.31 117.99 1oqn h LEU 1164Ca -0.06 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.70 1oqn h LEU 1164Cb 0.61 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 1oqn h LEU 1164CO 0.06 0.03 -0.87 0.50 -1.08 0.00 0.00 178.44 177.08 1oqn h LYS 1165N 0.05 0.33 0.43 1.13 3.11 -0.58 -1.74 116.57 119.31 1oqn h LYS 1165Ca 0.21 -0.34 -0.02 0.00 -2.81 0.00 0.00 60.65 57.69 1oqn h LYS 1165Cb 0.77 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1oqn h LYS 1165CO -0.01 1.02 -0.21 1.96 -2.81 0.00 0.00 179.45 179.40 1oqn h GLN 1166N 0.20 -0.56 -0.42 1.90 1.08 0.16 -3.10 115.11 114.37 1oqn h GLN 1166Ca -0.06 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.26 1oqn h GLN 1166Cb 1.49 0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 28.98 1oqn h GLN 1166CO 0.14 -0.30 -0.03 -0.09 -0.95 0.00 0.00 178.83 177.60 1oqn h ARG 1167N -1.09 0.07 -0.60 1.46 2.43 -1.34 0.13 114.38 115.44 1oqn h ARG 1167Ca -0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1oqn h ARG 1167Cb 0.51 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1oqn h ARG 1167CO 0.10 0.05 0.00 0.39 -1.51 0.00 0.00 179.97 179.00 1oqn n GLU 1168N -5.24 0.80 0.00 0.20 1.02 -0.65 -2.04 120.64 114.73 1oqn n GLU 1168Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1oqn n GLU 1168Cb 0.23 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1oqn n GLU 1168CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1oqn n GLU 1169N -0.05 0.67 0.19 3.49 2.13 0.22 -4.34 120.64 122.94 1oqn n GLU 1169Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1oqn n GLU 1169Cb 0.15 -0.90 0.38 0.00 0.27 0.00 0.00 31.44 31.34 1oqn n GLU 1169CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1oqn h LEU 1170N 0.00 0.03 0.08 4.31 -0.00 -0.46 -1.01 115.31 118.26 1oqn h LEU 1170Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1oqn h LEU 1170Cb 0.81 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 1oqn h LEU 1170CO 0.00 0.34 -0.04 -0.33 -0.00 0.00 0.00 178.44 178.42 1oqn h GLU 1171N 0.02 -0.11 0.00 1.13 5.08 -1.66 -1.95 114.58 117.10 1oqn h GLU 1171Ca 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1oqn h GLU 1171Cb 0.58 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1oqn h GLU 1171CO 0.04 0.42 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.13 1oqn h LYS 1172N -0.74 0.00 -0.01 2.33 3.11 -1.73 -1.07 116.57 118.47 1oqn h LYS 1172Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1oqn h LYS 1172Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 1oqn h LYS 1172CO 0.02 0.13 -0.18 1.17 -2.81 0.00 0.00 179.45 177.78 1oqn n LYS 1173N -4.26 1.06 -0.28 1.90 4.81 -0.39 -3.32 118.16 117.68 1oqn n LYS 1173Ca -0.03 -0.61 0.08 0.00 -0.87 0.00 0.00 58.31 56.88 1oqn n LYS 1173Cb 0.20 -1.49 0.22 0.00 0.02 0.00 0.00 35.03 33.98 1oqn n LYS 1173CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1oqn n ALA 1174N -0.43 2.36 0.97 3.14 0.00 -0.43 -5.04 120.51 121.07 1oqn n ALA 1174Ca 0.14 -1.30 0.08 0.00 0.00 0.00 0.00 53.44 52.36 1oqn n ALA 1174Cb 0.35 -0.62 0.46 0.00 0.00 0.00 0.00 19.45 19.63 1oqn n ALA 1174CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44