#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nft n MET 1035N 0.00 1.59 -4.30 0.00 2.81 -1.26 -3.93 117.12 112.03 3nft n MET 1035Ca 0.00 -0.03 -0.25 0.00 -1.81 0.00 0.00 57.70 55.61 3nft n MET 1035Cb 0.00 -1.34 -0.08 0.00 -0.71 0.00 0.00 33.22 31.08 3nft n MET 1035CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3nft s THR 1036N -2.44 2.35 0.23 2.03 -4.23 -1.26 -4.90 115.64 107.41 3nft s THR 1036Ca -0.06 -1.85 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 3nft s THR 1036Cb 0.05 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 71.15 3nft s THR 1036CO 0.56 -0.06 1.85 0.44 -0.54 0.00 0.00 174.62 176.87 3nft h ASP 1037N 1.62 1.08 -0.81 3.99 3.45 -1.99 -0.61 116.42 123.15 3nft h ASP 1037Ca -0.43 -0.09 0.02 0.00 0.43 0.00 0.00 57.03 56.95 3nft h ASP 1037Cb 1.25 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 39.70 3nft h ASP 1037CO 0.71 0.86 0.53 0.44 -1.57 0.00 0.00 179.24 180.21 3nft h ASP 1038N 1.21 0.89 -0.72 6.45 3.32 -1.97 -1.57 116.42 124.03 3nft h ASP 1038Ca 0.31 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.36 3nft h ASP 1038Cb 0.02 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 3nft h ASP 1038CO -0.05 0.63 0.47 0.44 -1.72 0.00 0.00 179.24 179.01 3nft h ASP 1039N 1.05 0.80 -0.48 6.45 3.32 -1.77 -0.49 116.42 125.30 3nft h ASP 1039Ca 0.31 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3nft h ASP 1039Cb -0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3nft h ASP 1039CO -0.09 0.57 0.28 -0.07 -1.72 0.00 0.00 179.24 178.22 3nft h LEU 1040N 0.95 0.59 -1.03 1.55 3.38 -0.50 -0.97 115.31 119.27 3nft h LEU 1040Ca 0.27 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3nft h LEU 1040Cb -0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3nft h LEU 1040CO -0.07 0.49 0.11 0.03 0.09 0.00 0.00 178.44 179.09 3nft h ARG 1041N 0.64 0.81 0.00 1.13 3.08 -0.96 -1.13 114.38 117.95 3nft h ARG 1041Ca 0.17 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nft h ARG 1041Cb 0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3nft h ARG 1041CO -0.03 0.74 -0.02 0.00 -1.07 0.00 0.00 179.97 179.59 3nft h ALA 1042N 1.34 1.01 -0.14 0.04 0.00 -0.66 -1.15 119.26 119.70 3nft h ALA 1042Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3nft h ALA 1042Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3nft h ALA 1042CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3nft n ALA 1043N -2.11 2.53 -0.20 0.00 0.00 -0.41 -4.94 120.51 115.39 3nft n ALA 1043Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3nft n ALA 1043Cb 0.29 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3nft n ALA 1043CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nft n GLY 1044N 1.13 0.86 3.22 0.00 0.00 -0.43 -4.86 105.19 105.11 3nft n GLY 1044Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3nft n GLY 1044CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nft s VAL 1045N -2.05 2.81 -0.29 1.61 1.01 -0.54 -4.86 120.40 118.08 3nft s VAL 1045Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3nft s VAL 1045Cb 0.00 -2.29 0.11 0.00 0.00 0.00 0.00 36.38 34.21 3nft s VAL 1045CO 0.00 0.41 0.19 1.51 0.00 0.00 0.00 175.10 177.21 3nft s ASP 1046N 1.38 2.93 0.60 3.32 -4.77 -1.26 -2.57 116.67 116.29 3nft s ASP 1046Ca 0.04 -1.17 0.35 0.00 -3.30 0.00 0.00 52.55 48.47 3nft s ASP 1046Cb -0.14 -0.08 1.91 0.00 -1.09 0.00 0.00 42.92 43.51 3nft s ASP 1046CO -0.07 -0.42 2.23 0.08 0.70 0.00 0.00 175.17 177.69 3nft h ARG 1047N 8.29 0.00 0.00 2.11 0.11 -1.97 -2.44 114.38 120.48 3nft h ARG 1047Ca -0.17 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.90 3nft h ARG 1047Cb 1.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 3nft h ARG 1047CO 0.40 0.03 -0.05 0.00 0.10 0.00 0.00 179.97 180.45 3nft h ARG 1048N 0.00 0.00 0.62 0.08 3.08 -1.98 -2.56 114.38 113.62 3nft h ARG 1048Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3nft h ARG 1048Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 3nft h ARG 1048CO 0.00 0.05 -0.30 0.28 -1.07 0.00 0.00 179.97 178.93 3nft h VAL 1049N 0.00 0.00 -0.18 2.04 2.07 -1.87 0.37 116.25 118.68 3nft h VAL 1049Ca -0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3nft h VAL 1049Cb 0.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3nft h VAL 1049CO 0.01 0.00 -0.06 1.55 0.02 0.00 0.00 177.57 179.09 3nft h PRO 1050N -0.99 0.27 -0.52 1.57 0.13 -1.75 -1.71 132.00 129.01 3nft h PRO 1050Ca -0.08 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.88 3nft h PRO 1050Cb 0.64 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 3nft h PRO 1050CO 0.14 0.35 -0.11 0.93 -0.23 0.00 0.00 178.00 179.08 3nft h GLU 1051N 0.27 0.98 -0.22 0.86 5.08 -1.44 -0.29 114.58 119.81 3nft h GLU 1051Ca 0.06 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 3nft h GLU 1051Cb 0.28 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3nft h GLU 1051CO 0.01 1.03 -0.46 0.37 -1.00 0.00 0.00 179.01 178.95 3nft h GLN 1052N 0.87 0.58 -0.42 2.33 4.15 -0.71 -1.14 115.11 120.78 3nft h GLN 1052Ca 0.14 -0.32 -0.11 0.00 0.77 0.00 0.00 58.65 59.12 3nft h GLN 1052Cb 0.66 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 3nft h GLN 1052CO 0.05 0.92 -0.18 0.87 -1.93 0.00 0.00 178.83 178.56 3nft h LYS 1053N 0.47 0.80 -0.69 1.69 1.79 -1.00 0.02 116.57 119.64 3nft h LYS 1053Ca 0.03 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 3nft h LYS 1053Cb 0.99 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 3nft h LYS 1053CO 0.09 0.92 0.29 -0.07 -1.08 0.00 0.00 179.45 179.60 3nft h LEU 1054N 0.70 0.93 -0.74 2.94 3.38 -0.94 -1.47 115.31 120.12 3nft h LEU 1054Ca 0.11 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3nft h LEU 1054Cb 0.69 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3nft h LEU 1054CO 0.05 0.83 0.47 1.23 0.09 0.00 0.00 178.44 181.11 3nft h GLY 1055N 0.97 1.06 1.17 0.83 0.00 -0.71 -0.18 103.07 106.21 3nft h GLY 1055Ca 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3nft h GLY 1055CO -0.02 0.31 0.44 0.00 0.00 0.00 0.00 176.54 177.26 3nft h ALA 1056N 1.31 1.28 -0.49 3.60 0.00 -0.70 -0.34 119.26 123.92 3nft h ALA 1056Ca 0.29 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3nft h ALA 1056Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3nft h ALA 1056CO -0.11 0.59 -0.08 0.00 0.00 0.00 0.00 179.25 179.65 3nft h ALA 1057N 1.38 0.66 -0.58 0.00 0.00 -0.53 -0.02 119.26 120.18 3nft h ALA 1057Ca 0.28 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3nft h ALA 1057Cb 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3nft h ALA 1057CO -0.05 0.54 0.35 0.82 0.00 0.00 0.00 179.25 180.92 3nft h ILE 1058N 0.76 1.07 -0.53 0.00 2.04 -0.70 -0.60 117.51 119.55 3nft h ILE 1058Ca 0.13 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3nft h ILE 1058Cb 0.62 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3nft h ILE 1058CO 0.04 0.13 0.16 0.44 0.00 0.00 0.00 178.15 178.92 3nft h ASP 1059N 0.70 0.73 -0.35 1.72 3.32 -0.77 -0.05 116.42 121.72 3nft h ASP 1059Ca 0.23 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3nft h ASP 1059Cb 0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3nft h ASP 1059CO -0.10 0.70 0.12 -0.08 -1.72 0.00 0.00 179.24 178.16 3nft h GLU 1060N 0.77 0.54 -0.40 3.56 4.57 -0.44 -1.17 114.58 122.01 3nft h GLU 1060Ca 0.18 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3nft h GLU 1060Cb 0.24 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3nft h GLU 1060CO -0.01 0.56 0.25 0.35 -1.18 0.00 0.00 179.01 178.98 3nft h PHE 1061N 0.42 0.52 -0.52 0.92 3.57 -0.82 -2.56 116.94 118.48 3nft h PHE 1061Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3nft h PHE 1061Cb 0.24 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3nft h PHE 1061CO 0.01 0.36 0.33 0.00 -2.23 0.00 0.00 178.31 176.78 3nft h ALA 1062N 1.12 1.61 0.00 2.41 0.00 -0.80 -2.54 119.26 121.06 3nft h ALA 1062Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3nft h ALA 1062Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3nft h ALA 1062CO -0.03 0.36 -0.14 0.77 0.00 0.00 0.00 179.25 180.21 3nft h SER 1063N 0.71 0.00 -3.31 0.00 0.02 -0.79 -3.45 113.55 106.73 3nft h SER 1063Ca 0.19 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.60 3nft h SER 1063Cb -0.06 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.57 3nft h SER 1063CO -0.04 0.14 0.83 -0.11 -1.14 0.00 0.00 176.83 176.51 3nft n LEU 1064N -3.33 4.28 -3.81 5.07 0.00 -0.96 -4.79 117.00 113.46 3nft n LEU 1064Ca -0.00 1.16 -0.13 0.00 0.00 0.00 0.00 56.01 57.04 3nft n LEU 1064Cb 0.36 -1.58 -0.13 0.00 0.00 0.00 0.00 43.42 42.07 3nft n LEU 1064CO 0.31 0.07 -0.23 -0.13 0.00 0.00 0.00 177.39 177.41 3nft s ARG 1065N -0.76 0.12 0.71 1.96 0.52 -0.57 -4.93 118.95 116.00 3nft s ARG 1065Ca 0.63 0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.94 3nft s ARG 1065Cb -0.51 0.00 0.02 0.00 0.52 0.00 0.00 34.95 34.98 3nft s ARG 1065CO 0.51 -0.05 1.07 -0.51 0.02 0.00 0.00 175.30 176.33 3nft s LEU 1066N 0.34 3.01 0.90 2.53 1.43 -1.26 0.19 118.68 125.82 3nft s LEU 1066Ca -0.02 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 3nft s LEU 1066Cb -0.04 -4.35 0.09 0.00 0.03 0.00 0.00 46.19 41.93 3nft s LEU 1066CO -0.01 -1.53 0.90 -2.65 0.23 0.00 0.00 176.35 173.29 3nft n PRO 1067N -3.17 -0.26 -3.96 1.29 -0.02 -1.26 -4.31 135.00 123.30 3nft n PRO 1067Ca 0.07 -0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 3nft n PRO 1067Cb 0.54 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3nft n PRO 1067CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3nft s ASP 1068N -2.30 0.27 -0.20 2.55 -1.08 -0.82 -4.88 116.67 110.22 3nft s ASP 1068Ca 0.65 -1.16 -0.00 0.00 -0.52 0.00 0.00 52.55 51.52 3nft s ASP 1068Cb -0.24 0.70 0.05 0.00 -1.46 0.00 0.00 42.92 41.97 3nft s ASP 1068CO 0.60 -1.37 -0.05 -0.60 0.52 0.00 0.00 175.17 174.26 3nft s ARG 1069N -3.19 1.53 -0.24 4.34 6.06 -1.26 -0.74 118.95 125.46 3nft s ARG 1069Ca 0.22 -0.71 -0.03 0.00 -2.50 0.00 0.00 55.73 52.71 3nft s ARG 1069Cb -0.02 -2.27 0.01 0.00 0.06 0.00 0.00 34.95 32.72 3nft s ARG 1069CO 0.13 -0.50 -0.05 -1.50 -2.50 0.00 0.00 175.30 170.88 3nft s ILE 1070N 1.54 3.15 -1.50 4.11 1.10 -0.40 -4.51 121.20 124.69 3nft s ILE 1070Ca -0.02 -0.74 -0.15 0.00 -0.51 0.00 0.00 60.65 59.23 3nft s ILE 1070Cb -0.17 -2.51 0.13 0.00 0.15 0.00 0.00 42.46 40.06 3nft s ILE 1070CO -0.07 0.31 0.66 0.47 -2.11 0.00 0.00 174.94 174.20 3nft n ASP 1071N 4.75 -3.30 0.00 4.50 8.00 -1.26 -1.91 116.55 127.32 3nft n ASP 1071Ca -0.17 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3nft n ASP 1071Cb 0.49 -2.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.87 3nft n ASP 1071CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nft n GLY 1072N -1.26 1.72 3.75 0.44 0.00 -1.26 -5.06 105.19 103.52 3nft n GLY 1072Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3nft n GLY 1072CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nft s ARG 1073N -0.66 4.18 0.09 1.61 0.52 -0.80 -4.91 118.95 118.98 3nft s ARG 1073Ca 0.00 0.16 -0.31 0.00 -0.52 0.00 0.00 55.73 55.07 3nft s ARG 1073Cb 0.00 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 3nft s ARG 1073CO 0.00 0.31 1.25 0.12 0.02 0.00 0.00 175.30 177.00 3nft s PHE 1074N 0.23 3.39 -0.17 -0.53 5.36 -1.26 -1.28 117.98 123.72 3nft s PHE 1074Ca 0.18 1.22 0.01 0.00 -0.96 0.00 0.00 56.93 57.39 3nft s PHE 1074Cb -0.14 -3.49 0.02 0.00 -0.34 0.00 0.00 43.02 39.07 3nft s PHE 1074CO 0.06 -1.56 -0.20 0.08 -1.46 0.00 0.00 175.22 172.13 3nft s VAL 1075N 0.97 2.02 0.62 3.12 1.01 0.08 -4.96 120.40 123.26 3nft s VAL 1075Ca 0.60 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 3nft s VAL 1075Cb -0.32 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3nft s VAL 1075CO 0.30 0.54 1.26 -1.81 0.00 0.00 0.00 175.10 175.39 3nft s ASP 1076N 1.20 4.84 1.12 3.32 1.01 -1.26 -1.94 116.67 124.97 3nft s ASP 1076Ca 0.02 2.54 -0.14 0.00 0.71 0.00 0.00 52.55 55.69 3nft s ASP 1076Cb -0.14 -2.61 0.20 0.00 1.01 0.00 0.00 42.92 41.38 3nft s ASP 1076CO -0.10 -1.84 0.81 0.61 0.21 0.00 0.00 175.17 174.86 3nft n GLY 1077N 0.75 -2.31 3.13 0.21 0.00 -1.26 -4.70 105.19 101.01 3nft n GLY 1077Ca 0.15 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 3nft n GLY 1077CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3nft s ARG 1078N -4.83 2.69 0.42 1.61 3.52 0.13 -4.90 118.95 117.60 3nft s ARG 1078Ca 0.51 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 55.39 3nft s ARG 1078Cb -0.04 -2.19 -0.01 0.00 -1.56 0.00 0.00 34.95 31.16 3nft s ARG 1078CO 0.38 -0.01 0.62 1.03 -0.81 0.00 0.00 175.30 176.51 3nft s ARG 1079N 0.82 3.08 -0.04 5.12 0.52 -1.26 -1.52 118.95 125.68 3nft s ARG 1079Ca -0.08 -0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 54.37 3nft s ARG 1079Cb -0.16 -2.62 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 3nft s ARG 1079CO -0.00 -0.19 0.42 0.00 0.02 0.00 0.00 175.30 175.55 3nft s ALA 1080N -2.47 3.64 -0.75 2.13 0.00 -1.26 -4.87 121.76 118.18 3nft s ALA 1080Ca 0.47 -0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 3nft s ALA 1080Cb -0.10 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.60 3nft s ALA 1080CO 0.36 0.34 1.29 1.21 0.00 0.00 0.00 175.76 178.96 3nft s ASN 1081N -0.57 6.18 0.39 0.00 3.84 -1.26 -4.88 114.94 118.64 3nft s ASN 1081Ca 0.24 -0.50 0.28 0.00 0.21 0.00 0.00 52.86 53.09 3nft s ASN 1081Cb -0.16 -2.56 1.14 0.00 -0.55 0.00 0.00 41.25 39.11 3nft s ASN 1081CO 0.12 -1.82 1.84 -0.07 -2.79 0.00 0.00 177.10 174.37 3nft h LEU 1082N 13.01 0.00 -2.25 3.21 3.38 -1.97 -2.86 115.31 127.83 3nft h LEU 1082Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3nft h LEU 1082Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3nft h LEU 1082CO 1.29 0.00 -0.05 0.71 0.09 0.00 0.00 178.44 180.48 3nft h THR 1083N 0.00 0.49 -0.61 0.22 1.35 -2.00 -1.35 112.91 111.01 3nft h THR 1083Ca 0.00 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3nft h THR 1083Cb 0.46 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 3nft h THR 1083CO 0.00 0.05 0.37 0.58 -0.25 0.00 0.00 175.52 176.27 3nft h VAL 1084N 0.00 1.17 -0.37 6.82 2.07 -1.92 -0.48 116.25 123.55 3nft h VAL 1084Ca -0.00 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 66.99 3nft h VAL 1084Cb 0.15 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3nft h VAL 1084CO 0.01 0.18 -0.39 -0.26 0.02 0.00 0.00 177.57 177.12 3nft h PHE 1085N 0.84 1.06 -0.66 1.57 -1.00 -1.46 -2.37 116.94 114.92 3nft h PHE 1085Ca 0.22 -0.32 0.05 0.00 2.81 0.00 0.00 57.97 60.73 3nft h PHE 1085Cb -0.04 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 39.25 3nft h PHE 1085CO 0.00 1.13 0.38 -0.44 -1.61 0.00 0.00 178.31 177.78 3nft h ASP 1086N 0.72 0.59 -0.87 2.17 3.32 -1.25 -1.30 116.42 119.80 3nft h ASP 1086Ca 0.06 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3nft h ASP 1086Cb 0.97 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 3nft h ASP 1086CO 0.09 0.39 0.54 0.44 -1.72 0.00 0.00 179.24 178.99 3nft h ASP 1087N 0.72 1.03 -0.30 6.45 3.32 -0.97 -0.24 116.42 126.42 3nft h ASP 1087Ca 0.29 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3nft h ASP 1087Cb 0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3nft h ASP 1087CO -0.15 0.78 0.04 0.00 -1.72 0.00 0.00 179.24 178.19 3nft h ALA 1088N 1.30 0.40 -0.65 3.45 0.00 -0.99 -1.57 119.26 121.20 3nft h ALA 1088Ca 0.31 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3nft h ALA 1088Cb -0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3nft h ALA 1088CO -0.06 0.10 0.43 0.00 0.00 0.00 0.00 179.25 179.72 3nft h ARG 1089N 0.33 0.85 -0.76 0.00 3.08 -0.70 -0.77 114.38 116.40 3nft h ARG 1089Ca 0.09 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3nft h ARG 1089Cb 0.35 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 3nft h ARG 1089CO 0.01 0.56 0.45 0.28 -1.07 0.00 0.00 179.97 180.20 3nft h VAL 1090N 0.87 1.22 -0.24 2.04 2.07 -0.97 -1.94 116.25 119.30 3nft h VAL 1090Ca 0.24 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 3nft h VAL 1090Cb -0.10 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3nft h VAL 1090CO -0.05 0.23 -0.40 0.00 0.02 0.00 0.00 177.57 177.36 3nft h ALA 1091N 1.24 0.84 -0.30 1.67 0.00 -0.89 -0.31 119.26 121.51 3nft h ALA 1091Ca 0.27 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3nft h ALA 1091Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3nft h ALA 1091CO -0.05 0.64 -0.07 0.28 0.00 0.00 0.00 179.25 180.06 3nft h VAL 1092N 0.48 1.28 -0.43 0.00 2.07 -0.93 -0.24 116.25 118.46 3nft h VAL 1092Ca 0.04 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.48 3nft h VAL 1092Cb 0.91 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3nft h VAL 1092CO 0.08 0.35 0.25 0.03 0.02 0.00 0.00 177.57 178.30 3nft h ARG 1093N 0.35 0.48 -0.62 1.57 3.08 -1.19 -2.03 114.38 116.02 3nft h ARG 1093Ca 0.08 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3nft h ARG 1093Cb 0.55 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3nft h ARG 1093CO 0.03 0.32 0.05 0.78 -1.07 0.00 0.00 179.97 180.08 3nft h GLY 1094N 0.50 1.13 1.01 0.04 0.00 -0.84 -2.06 103.07 102.85 3nft h GLY 1094Ca 0.18 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 3nft h GLY 1094CO -0.09 0.72 0.20 0.84 0.00 0.00 0.00 176.54 178.21 3nft h HIS 1095N 0.97 0.96 -0.72 5.60 -0.00 -0.88 -1.30 115.15 119.77 3nft h HIS 1095Ca 0.18 -0.09 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 3nft h HIS 1095Cb 0.49 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 3nft h HIS 1095CO 0.03 0.79 0.27 0.00 -0.00 0.00 0.00 177.93 179.02 3nft h ALA 1096N 1.07 1.12 -0.46 5.26 0.00 -1.05 0.38 119.26 125.56 3nft h ALA 1096Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3nft h ALA 1096Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3nft h ALA 1096CO -0.01 0.62 0.16 0.00 0.00 0.00 0.00 179.25 180.03 3nft h ARG 1097N 1.05 0.71 -0.70 0.00 3.08 -1.09 -0.38 114.38 117.06 3nft h ARG 1097Ca 0.24 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3nft h ARG 1097Cb 0.22 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3nft h ARG 1097CO -0.02 0.66 0.14 0.00 -1.07 0.00 0.00 179.97 179.68 3nft h ALA 1098N 1.01 0.92 -0.24 0.04 0.00 -0.83 -0.21 119.26 119.96 3nft h ALA 1098Ca 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3nft h ALA 1098Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3nft h ALA 1098CO -0.01 0.67 0.06 1.96 0.00 0.00 0.00 179.25 181.94 3nft h GLN 1099N 1.07 0.37 -0.67 0.00 4.20 -0.74 -1.79 115.11 117.55 3nft h GLN 1099Ca 0.21 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3nft h GLN 1099Cb 0.41 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3nft h GLN 1099CO 0.01 0.47 0.44 -0.09 -0.67 0.00 0.00 178.83 178.99 3nft h ARG 1100N 0.21 0.89 -0.70 1.46 2.43 -0.81 -1.58 114.38 116.28 3nft h ARG 1100Ca 0.08 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3nft h ARG 1100Cb 0.26 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3nft h ARG 1100CO -0.00 0.60 0.45 -0.91 -1.51 0.00 0.00 179.97 178.60 3nft h ASN 1101N 0.91 0.77 -0.41 -3.80 -0.26 -0.89 -0.07 115.58 111.83 3nft h ASN 1101Ca 0.25 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.92 3nft h ASN 1101Cb -0.09 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 36.97 3nft h ASN 1101CO -0.05 0.55 0.03 0.25 -1.06 0.00 0.00 177.43 177.15 3nft h LEU 1102N 0.91 0.68 -0.87 1.61 5.85 -1.00 -1.63 115.31 120.85 3nft h LEU 1102Ca 0.27 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3nft h LEU 1102Cb -0.05 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 3nft h LEU 1102CO -0.08 0.79 0.57 -0.07 -0.34 0.00 0.00 178.44 179.32 3nft h LEU 1103N 0.54 0.96 -0.95 2.25 3.38 -0.96 -1.48 115.31 119.06 3nft h LEU 1103Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3nft h LEU 1103Cb 0.43 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3nft h LEU 1103CO 0.01 0.68 0.59 -0.33 0.09 0.00 0.00 178.44 179.48 3nft h GLU 1104N 1.13 1.28 -0.54 1.13 5.08 -0.69 0.39 114.58 122.36 3nft h GLU 1104Ca 0.34 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3nft h GLU 1104Cb -0.06 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 3nft h GLU 1104CO -0.10 0.89 0.02 0.00 -1.00 0.00 0.00 179.01 178.82 3nft h ARG 1105N 1.31 0.95 -0.71 2.33 3.08 -0.89 -1.38 114.38 119.06 3nft h ARG 1105Ca 0.34 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3nft h ARG 1105Cb -0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3nft h ARG 1105CO -0.07 0.95 0.24 -0.07 -1.07 0.00 0.00 179.97 179.96 3nft h LEU 1106N 0.83 1.02 -0.57 3.04 3.38 -0.84 -1.40 115.31 120.77 3nft h LEU 1106Ca 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3nft h LEU 1106Cb 0.51 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3nft h LEU 1106CO 0.02 0.94 0.27 -0.08 0.09 0.00 0.00 178.44 179.69 3nft h GLU 1107N 1.04 0.82 -0.75 1.13 4.81 -0.77 -1.40 114.58 119.47 3nft h GLU 1107Ca 0.23 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3nft h GLU 1107Cb 0.27 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3nft h GLU 1107CO -0.01 0.68 0.43 1.15 -0.73 0.00 0.00 179.01 180.53 3nft h THR 1108N 0.77 1.22 -0.91 0.32 2.02 -1.01 -1.46 112.91 113.86 3nft h THR 1108Ca 0.20 -0.51 0.10 0.00 0.77 0.00 0.00 66.41 66.97 3nft h THR 1108Cb 0.13 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.67 3nft h THR 1108CO -0.02 0.23 0.58 -0.33 0.37 0.00 0.00 175.52 176.35 3nft h GLU 1109N 1.02 0.86 0.00 6.66 4.39 -0.76 -2.80 114.58 123.95 3nft h GLU 1109Ca 0.27 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 3nft h GLU 1109Cb -0.01 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 3nft h GLU 1109CO -0.05 0.57 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.25 3nft h LEU 1110N 0.88 0.00 -3.14 1.33 3.38 -0.41 -3.38 115.31 113.98 3nft h LEU 1110Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3nft h LEU 1110Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3nft h LEU 1110CO -0.19 0.05 0.00 0.18 0.09 0.00 0.00 178.44 178.57 3nft n LEU 1111N -3.12 3.17 0.03 1.67 4.77 -0.63 -4.95 117.00 117.95 3nft n LEU 1111Ca 0.04 -3.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 3nft n LEU 1111Cb 0.54 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3nft n LEU 1111CO 0.34 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3nft n GLY 1112N -0.90 -1.84 0.00 -0.72 0.00 -1.21 -5.05 105.19 95.46 3nft n GLY 1112Ca 0.19 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3nft n GLY 1112CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nft n GLY 1122N -1.50 0.00 2.75 -0.02 0.00 -1.26 -4.80 105.19 100.37 3nft n GLY 1122Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3nft n GLY 1122CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3nft s GLY 1123N 0.00 0.76 -0.03 -0.02 0.00 -1.26 -5.11 107.32 101.67 3nft s GLY 1123Ca 0.00 -0.76 -0.35 0.00 0.00 0.00 0.00 44.72 43.62 3nft s GLY 1123CO 0.00 1.38 1.77 1.39 0.00 0.00 0.00 173.10 177.64 3nft n ILE 1124N 5.02 0.38 -2.62 0.90 5.41 -1.26 -4.95 119.36 122.23 3nft n ILE 1124Ca -0.09 -0.07 -0.28 0.00 1.00 0.00 0.00 62.75 63.31 3nft n ILE 1124Cb 0.47 -1.70 -0.00 0.00 -0.71 0.00 0.00 39.64 37.69 3nft n ILE 1124CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3nft s GLN 1125N 3.04 3.56 0.30 0.38 -1.52 -1.26 -5.01 119.66 119.15 3nft s GLN 1125Ca 0.89 0.24 -0.28 0.00 -1.95 0.00 0.00 55.36 54.26 3nft s GLN 1125Cb -0.72 -2.37 -0.13 0.00 -0.22 0.00 0.00 33.01 29.57 3nft s GLN 1125CO 0.49 -0.20 1.11 -2.30 -0.25 0.00 0.00 175.29 174.13 3nft n PRO 1126N -2.20 1.62 -1.68 2.91 -0.02 -1.26 -4.84 135.00 129.53 3nft n PRO 1126Ca 0.01 0.57 -0.44 0.00 -2.02 0.00 0.00 63.50 61.62 3nft n PRO 1126Cb 0.55 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 3nft n PRO 1126CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3nft n ASP 1127N 1.11 3.78 0.23 2.55 8.00 -1.26 -4.84 116.55 126.11 3nft n ASP 1127Ca 0.08 1.00 0.18 0.00 0.71 0.00 0.00 54.79 56.76 3nft n ASP 1127Cb 0.33 -1.50 0.86 0.00 -0.02 0.00 0.00 41.12 40.80 3nft n ASP 1127CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3nft h PRO 1128N 8.17 0.00 0.00 -0.24 0.11 -2.03 -2.04 132.00 135.98 3nft h PRO 1128Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3nft h PRO 1128Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3nft h PRO 1128CO 0.94 0.00 -0.14 0.97 -0.21 0.00 0.00 178.00 179.55 3nft h ILE 1129N 0.00 0.95 -0.04 4.15 2.10 -1.99 -2.29 117.51 120.39 3nft h ILE 1129Ca 0.08 -0.52 -0.01 0.00 1.08 0.00 0.00 64.86 65.49 3nft h ILE 1129Cb 0.56 1.29 -0.00 0.00 -1.09 0.00 0.00 36.82 37.59 3nft h ILE 1129CO -0.00 0.14 -0.00 -0.07 -1.08 0.00 0.00 178.15 177.14 3nft h LEU 1130N 0.00 0.07 -1.06 2.19 3.38 -1.73 -1.10 115.31 117.06 3nft h LEU 1130Ca -0.00 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3nft h LEU 1130Cb 0.28 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3nft h LEU 1130CO 0.02 0.38 0.23 -0.61 0.09 0.00 0.00 178.44 178.55 3nft h GLN 1131N -0.24 0.90 -0.49 1.13 5.75 -1.67 -1.42 115.11 119.06 3nft h GLN 1131Ca 0.01 -0.15 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3nft h GLN 1131Cb 0.35 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 3nft h GLN 1131CO 0.00 0.74 0.32 0.78 -2.65 0.00 0.00 178.83 178.02 3nft h GLY 1132N 0.99 0.70 1.43 2.39 0.00 -1.16 0.44 103.07 107.85 3nft h GLY 1132Ca 0.21 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 3nft h GLY 1132CO -0.02 0.23 -0.34 1.41 0.00 0.00 0.00 176.54 177.83 3nft h LEU 1133N 0.65 0.67 -0.79 3.11 3.38 -0.98 -2.24 115.31 119.10 3nft h LEU 1133Ca 0.19 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3nft h LEU 1133Cb -0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3nft h LEU 1133CO -0.05 0.95 0.50 0.58 0.09 0.00 0.00 178.44 180.51 3nft h VAL 1134N 0.54 1.10 -0.74 1.22 2.07 -0.78 -0.02 116.25 119.64 3nft h VAL 1134Ca 0.06 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3nft h VAL 1134Cb 0.84 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3nft h VAL 1134CO 0.07 0.18 0.49 0.44 0.02 0.00 0.00 177.57 178.76 3nft h ASP 1135N 0.97 0.84 -0.79 0.57 3.32 -0.63 0.14 116.42 120.84 3nft h ASP 1135Ca 0.32 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3nft h ASP 1135Cb 0.04 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3nft h ASP 1135CO -0.12 0.60 0.36 0.58 -1.72 0.00 0.00 179.24 178.94 3nft h VAL 1136N 0.99 1.25 -0.65 -1.35 2.07 -0.94 -1.41 116.25 116.21 3nft h VAL 1136Ca 0.28 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3nft h VAL 1136Cb -0.09 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 3nft h VAL 1136CO -0.07 0.31 0.34 0.40 0.02 0.00 0.00 177.57 178.58 3nft h ILE 1137N 1.12 1.21 -0.76 4.57 2.04 -0.33 -1.51 117.51 123.85 3nft h ILE 1137Ca 0.27 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3nft h ILE 1137Cb 0.15 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3nft h ILE 1137CO -0.03 0.24 0.50 1.23 0.00 0.00 0.00 178.15 180.09 3nft h GLY 1138N 0.90 1.08 1.02 5.37 0.00 -0.08 0.01 103.07 111.36 3nft h GLY 1138Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3nft h GLY 1138CO -0.03 0.40 0.46 -1.61 0.00 0.00 0.00 176.54 175.75 3nft h GLN 1139N 1.04 1.16 -0.35 4.80 5.75 -1.08 -1.88 115.11 124.55 3nft h GLN 1139Ca 0.28 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.67 3nft h GLN 1139Cb -0.11 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.18 3nft h GLN 1139CO -0.06 0.85 0.16 0.78 -2.65 0.00 0.00 178.83 177.91 3nft h GLY 1140N 1.16 0.46 0.84 2.39 0.00 -0.25 -0.85 103.07 106.82 3nft h GLY 1140Ca 0.29 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.55 3nft h GLY 1140CO -0.05 0.07 0.37 0.50 0.00 0.00 0.00 176.54 177.44 3nft h LYS 1141N 0.33 0.70 -0.34 4.80 1.57 -0.80 -1.06 116.57 121.78 3nft h LYS 1141Ca 0.15 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3nft h LYS 1141Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3nft h LYS 1141CO -0.12 0.47 0.20 1.03 -0.57 0.00 0.00 179.45 180.46 3nft h SER 1142N 0.72 0.33 -0.65 0.86 0.87 -0.89 -1.91 113.55 112.89 3nft h SER 1142Ca 0.25 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 3nft h SER 1142Cb 0.05 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3nft h SER 1142CO -0.12 0.24 0.13 0.44 -0.53 0.00 0.00 176.83 177.00 3nft h ASP 1143N 0.41 1.01 -0.22 6.23 3.32 -0.88 0.60 116.42 126.89 3nft h ASP 1143Ca 0.13 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.98 3nft h ASP 1143Cb -0.00 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 3nft h ASP 1143CO -0.06 1.00 -0.03 0.40 -1.72 0.00 0.00 179.24 178.83 3nft h ILE 1144N 0.98 0.81 -0.21 0.35 2.04 -1.05 -0.92 117.51 119.52 3nft h ILE 1144Ca 0.20 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 3nft h ILE 1144Cb 0.40 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3nft h ILE 1144CO 0.01 0.01 0.09 0.44 0.00 0.00 0.00 178.15 178.70 3nft h ASP 1145N 0.04 0.29 -0.11 1.72 3.45 -1.04 -1.26 116.42 119.50 3nft h ASP 1145Ca 0.10 -0.15 0.03 0.00 0.43 0.00 0.00 57.03 57.44 3nft h ASP 1145Cb 0.15 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.81 3nft h ASP 1145CO -0.20 0.36 -0.06 0.00 -1.57 0.00 0.00 179.24 177.77 3nft h ALA 1146N 0.94 0.04 -0.33 3.45 0.00 -0.75 -0.99 119.26 121.62 3nft h ALA 1146Ca 0.07 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3nft h ALA 1146Cb 0.16 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3nft h ALA 1146CO -0.01 -0.51 -0.25 1.88 0.00 0.00 0.00 179.25 180.35 3nft h TYR 1147N -0.05 0.75 -0.47 0.00 -1.99 -1.10 -0.40 116.97 113.70 3nft h TYR 1147Ca 0.06 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.62 3nft h TYR 1147Cb 0.15 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 3nft h TYR 1147CO -0.18 0.85 0.29 0.00 -0.00 0.00 0.00 178.16 179.12 3nft h ALA 1148N 1.15 0.60 -0.35 3.88 0.00 -1.03 0.14 119.26 123.65 3nft h ALA 1148Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3nft h ALA 1148Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3nft h ALA 1148CO 0.06 0.07 0.02 1.15 0.00 0.00 0.00 179.25 180.55 3nft h THR 1149N 0.63 1.25 -0.15 0.00 2.02 -0.77 -0.57 112.91 115.33 3nft h THR 1149Ca 0.17 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 3nft h THR 1149Cb -0.03 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3nft h THR 1149CO -0.03 0.31 0.03 0.40 0.37 0.00 0.00 175.52 176.59 3nft h ILE 1150N 0.42 1.21 -0.60 3.11 2.04 -0.94 -1.63 117.51 121.11 3nft h ILE 1150Ca 0.10 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 3nft h ILE 1150Cb 0.42 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3nft h ILE 1150CO 0.01 0.20 0.07 0.58 0.00 0.00 0.00 178.15 179.02 3nft h VAL 1151N 0.02 1.26 -0.24 1.67 2.07 -0.71 -0.21 116.25 120.11 3nft h VAL 1151Ca 0.04 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.58 3nft h VAL 1151Cb 0.29 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3nft h VAL 1151CO 0.00 0.38 -0.01 -0.08 0.02 0.00 0.00 177.57 177.88 3nft h GLU 1152N 0.93 0.06 -0.28 1.57 4.57 -1.03 0.14 114.58 120.55 3nft h GLU 1152Ca 0.18 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3nft h GLU 1152Cb 0.45 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3nft h GLU 1152CO 0.02 0.04 -0.05 0.78 -1.18 0.00 0.00 179.01 178.62 3nft h GLY 1153N 0.06 0.57 1.58 1.92 0.00 -1.06 -0.46 103.07 105.68 3nft h GLY 1153Ca 0.11 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 3nft h GLY 1153CO -0.20 0.41 -0.12 1.41 0.00 0.00 0.00 176.54 178.05 3nft h LEU 1154N 0.29 0.49 -0.49 3.11 -0.00 -0.96 -0.84 115.31 116.90 3nft h LEU 1154Ca 0.07 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.88 57.66 3nft h LEU 1154Cb 0.51 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 3nft h LEU 1154CO 0.02 0.64 -0.60 0.74 -0.00 0.00 0.00 178.44 179.25 3nft h THR 1155N 0.47 1.34 -0.56 0.22 2.02 -0.75 -0.12 112.91 115.53 3nft h THR 1155Ca 0.09 -1.89 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 3nft h THR 1155Cb 0.49 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3nft h THR 1155CO 0.03 0.58 0.35 0.50 0.37 0.00 0.00 175.52 177.35 3nft h LYS 1156N 0.38 0.75 -0.29 6.66 1.63 -0.71 0.90 116.57 125.89 3nft h LYS 1156Ca -0.00 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 3nft h LYS 1156Cb 1.15 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 32.57 3nft h LYS 1156CO 0.11 0.53 -0.04 -0.92 -3.45 0.00 0.00 179.45 175.68 3nft h TYR 1157N 0.76 -0.09 -0.62 1.91 3.20 -0.98 0.51 116.97 121.66 3nft h TYR 1157Ca 0.20 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3nft h TYR 1157Cb -0.03 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3nft h TYR 1157CO -0.03 -0.09 0.39 0.35 -1.64 0.00 0.00 178.16 177.14 3nft h PHE 1158N 0.04 0.73 -0.62 -3.82 3.57 -0.69 -0.72 116.94 115.42 3nft h PHE 1158Ca 0.14 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3nft h PHE 1158Cb 0.20 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3nft h PHE 1158CO -0.25 0.42 0.41 0.37 -2.23 0.00 0.00 178.31 177.03 3nft h GLN 1159N 0.77 0.80 -0.14 1.11 4.15 -0.58 -1.47 115.11 119.75 3nft h GLN 1159Ca 0.24 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.53 3nft h GLN 1159Cb -0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3nft h GLN 1159CO -0.09 0.53 -0.30 0.77 -1.93 0.00 0.00 178.83 177.81 3nft h SER 1160N 0.83 0.27 -0.24 -0.69 0.02 0.12 0.22 113.55 114.07 3nft h SER 1160Ca 0.23 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 3nft h SER 1160Cb -0.07 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 3nft h SER 1160CO -0.06 0.56 -0.28 0.58 -1.14 0.00 0.00 176.83 176.49 3nft h VAL 1161N 0.24 1.32 -0.85 2.27 2.07 -0.92 -1.13 116.25 119.24 3nft h VAL 1161Ca 0.03 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.13 3nft h VAL 1161Cb 0.65 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 3nft h VAL 1161CO 0.05 0.46 0.56 0.00 0.02 0.00 0.00 177.57 178.66 3nft h ALA 1162N 0.66 1.48 0.14 1.67 0.00 -0.84 -0.22 119.26 122.16 3nft h ALA 1162Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3nft h ALA 1162Cb 0.85 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3nft h ALA 1162CO 0.07 0.43 -0.07 0.22 0.00 0.00 0.00 179.25 179.90 3nft h ASP 1163N 1.05 -0.16 -0.47 0.00 1.82 -0.79 -1.82 116.42 116.05 3nft h ASP 1163Ca 0.34 -0.20 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 3nft h ASP 1163Cb 0.04 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 3nft h ASP 1163CO -0.10 0.12 0.12 1.62 -1.61 0.00 0.00 179.24 179.38 3nft h VAL 1164N -0.45 1.22 -0.18 2.25 3.04 -0.97 0.01 116.25 121.18 3nft h VAL 1164Ca -0.02 -0.82 0.02 0.00 -1.01 0.00 0.00 66.70 64.87 3nft h VAL 1164Cb 0.35 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 3nft h VAL 1164CO 0.03 0.30 0.12 0.24 -1.01 0.00 0.00 177.57 177.26 3nft h MET 1165N 0.78 0.18 0.00 4.17 2.86 -0.94 -0.35 114.93 121.63 3nft h MET 1165Ca 0.17 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 3nft h MET 1165Cb 0.30 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3nft h MET 1165CO -0.00 0.12 -0.27 0.77 1.06 0.00 0.00 176.91 178.58 3nft h SER 1166N 0.18 0.00 -0.83 1.22 0.02 -0.52 -3.37 113.55 110.26 3nft h SER 1166Ca 0.07 -0.66 0.07 0.00 -0.84 0.00 0.00 61.79 60.43 3nft h SER 1166Cb 0.08 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 3nft h SER 1166CO -0.01 0.99 0.54 0.11 -1.14 0.00 0.00 176.83 177.32 3nft h LYS 1167N -1.00 0.87 0.00 3.45 1.57 -0.87 -2.48 116.57 118.11 3nft h LYS 1167Ca -0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3nft h LYS 1167Cb 0.85 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3nft h LYS 1167CO -0.04 0.58 0.00 1.37 -0.57 0.00 0.00 179.45 180.78 3nft h LEU 1168N 0.90 0.00 -2.23 2.94 8.10 -1.22 -2.17 115.31 121.63 3nft h LEU 1168Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.35 3nft h LEU 1168Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 3nft h LEU 1168CO -0.13 0.00 0.00 1.56 -4.11 0.00 0.00 178.44 175.76 3nft h GLN 1169N 0.00 0.00 0.00 0.17 4.20 -1.60 -0.49 115.11 117.39 3nft h GLN 1169Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3nft h GLN 1169Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3nft h GLN 1169CO 0.00 0.00 0.00 -0.44 -0.67 0.00 0.00 178.83 177.72 3nft h ASP 1170N 0.00 0.00 -0.60 1.46 3.45 -1.57 -2.77 116.42 116.39 3nft h ASP 1170Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3nft h ASP 1170Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3nft h ASP 1170CO 0.00 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.45 3nft n TYR 1171N -2.78 0.96 -5.16 4.55 4.02 -0.19 -4.85 117.16 113.71 3nft n TYR 1171Ca -0.00 -0.54 -0.32 0.00 -0.01 0.00 0.00 57.90 57.03 3nft n TYR 1171Cb 0.20 -0.07 -0.17 0.00 -0.02 0.00 0.00 39.34 39.28 3nft n TYR 1171CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3nft s ILE 1172N -1.26 2.01 0.17 -0.72 1.01 -1.05 -0.91 121.20 120.45 3nft s ILE 1172Ca 0.43 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 3nft s ILE 1172Cb 0.24 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 3nft s ILE 1172CO 0.26 0.55 0.33 -0.94 0.00 0.00 0.00 174.94 175.13 3nft s SER 1173N 0.38 -0.01 0.21 3.58 1.04 -0.37 -4.97 113.70 113.55 3nft s SER 1173Ca -0.18 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.14 3nft s SER 1173Cb -0.18 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.32 3nft s SER 1173CO 0.08 -0.92 1.23 0.00 0.98 0.00 0.00 173.24 174.61 3nft s ALA 1174N -3.95 3.47 -0.06 5.32 0.00 -1.26 -0.46 121.76 124.81 3nft s ALA 1174Ca 0.16 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.17 3nft s ALA 1174Cb 0.03 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3nft s ALA 1174CO -0.00 -0.43 -0.16 0.21 0.00 0.00 0.00 175.76 175.37 3nft s LYS 1175N -0.38 2.00 3.24 0.00 2.47 -0.32 -4.74 119.74 122.01 3nft s LYS 1175Ca 0.53 -0.58 0.00 0.00 -1.56 0.00 0.00 55.97 54.36 3nft s LYS 1175Cb -0.34 -1.64 0.00 0.00 -1.46 0.00 0.00 37.83 34.39 3nft s LYS 1175CO 0.38 0.14 0.00 -0.25 0.16 0.00 0.00 175.35 175.79 3nft n ASP 1176N 3.49 -1.89 0.03 1.43 8.00 -1.26 -1.37 116.55 124.98 3nft n ASP 1176Ca -0.20 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.41 3nft n ASP 1176Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 3nft n ASP 1176CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3nft n ASP 1177N -2.74 0.55 0.00 -2.24 8.00 -1.26 -4.57 116.55 114.30 3nft n ASP 1177Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3nft n ASP 1177Cb 0.00 0.97 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 3nft n ASP 1177CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3nft n LYS 1178N -2.15 0.07 -4.31 -1.24 -0.00 -1.25 -4.94 118.16 104.35 3nft n LYS 1178Ca 0.00 -0.28 -0.24 0.00 -0.00 0.00 0.00 58.31 57.79 3nft n LYS 1178Cb 0.48 -0.55 -0.08 0.00 -0.00 0.00 0.00 35.03 34.88 3nft n LYS 1178CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3nft s ASN 1179N -0.04 4.25 0.00 -5.58 0.02 -0.47 -3.10 114.94 110.02 3nft s ASN 1179Ca 0.00 -0.97 0.08 0.00 -1.02 0.00 0.00 52.86 50.95 3nft s ASN 1179Cb 0.00 -0.56 -0.02 0.00 0.02 0.00 0.00 41.25 40.69 3nft s ASN 1179CO 0.00 -0.25 -0.25 -0.04 0.02 0.00 0.00 177.10 176.58 3nft s MET 1180N -3.74 1.90 -0.14 -0.60 -1.94 0.57 -1.17 119.30 114.18 3nft s MET 1180Ca 0.35 -0.93 -0.04 0.00 -1.71 0.00 0.00 55.69 53.36 3nft s MET 1180Cb -0.00 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.90 3nft s MET 1180CO 0.20 0.51 -0.01 0.21 -0.01 0.00 0.00 175.02 175.92 3nft s LYS 1181N -0.77 3.52 -0.13 2.03 2.20 0.39 -0.65 119.74 126.33 3nft s LYS 1181Ca 0.10 -0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 55.24 3nft s LYS 1181Cb -0.09 -2.93 0.03 0.00 -1.51 0.00 0.00 37.83 33.33 3nft s LYS 1181CO -0.00 0.38 -0.07 -1.50 -0.36 0.00 0.00 175.35 173.81 3nft s ILE 1182N -0.01 1.04 -1.24 5.43 2.07 0.07 -1.24 121.20 127.33 3nft s ILE 1182Ca 0.02 -0.41 -0.14 0.00 -1.41 0.00 0.00 60.65 58.71 3nft s ILE 1182Cb -0.13 -1.13 0.15 0.00 0.13 0.00 0.00 42.46 41.48 3nft s ILE 1182CO 0.02 0.27 1.55 0.47 -1.91 0.00 0.00 174.94 175.34 3nft n ASP 1183N 4.92 5.14 0.16 4.50 10.43 -0.09 -2.43 116.55 139.19 3nft n ASP 1183Ca -0.12 -2.98 0.02 0.00 2.57 0.00 0.00 54.79 54.28 3nft n ASP 1183Cb 0.49 -1.60 0.25 0.00 1.84 0.00 0.00 41.12 42.11 3nft n ASP 1183CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3nft h GLY 1184N 10.08 0.00 1.02 0.44 0.00 -1.58 -2.78 103.07 110.26 3nft h GLY 1184Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 3nft h GLY 1184CO 1.33 0.00 0.39 -1.33 0.00 0.00 0.00 176.54 176.93 3nft h GLY 1185N 1.87 1.21 1.10 4.60 0.00 -1.71 0.20 103.07 110.33 3nft h GLY 1185Ca -0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 3nft h GLY 1185CO 0.07 0.56 0.29 0.50 0.00 0.00 0.00 176.54 177.96 3nft h LYS 1186N 1.11 1.14 -0.42 4.80 1.79 -1.87 -2.20 116.57 120.92 3nft h LYS 1186Ca 0.27 -0.21 -0.13 0.00 -2.18 0.00 0.00 60.65 58.41 3nft h LYS 1186Cb 0.10 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 3nft h LYS 1186CO -0.04 0.93 -0.24 0.82 -1.08 0.00 0.00 179.45 179.84 3nft h ILE 1187N 1.11 1.27 -0.91 1.86 2.04 -1.21 -2.24 117.51 119.42 3nft h ILE 1187Ca 0.25 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.76 3nft h ILE 1187Cb 0.22 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3nft h ILE 1187CO -0.02 0.47 0.60 0.11 0.00 0.00 0.00 178.15 179.30 3nft h LYS 1188N 0.74 1.13 -0.62 2.37 1.57 -0.56 -1.27 116.57 119.93 3nft h LYS 1188Ca 0.10 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3nft h LYS 1188Cb 0.78 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3nft h LYS 1188CO 0.06 0.75 0.15 0.00 -0.57 0.00 0.00 179.45 179.85 3nft h ALA 1189N 1.37 0.81 -0.37 3.86 0.00 -1.12 0.34 119.26 124.15 3nft h ALA 1189Ca 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3nft h ALA 1189Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3nft h ALA 1189CO -0.11 0.52 0.24 -0.07 0.00 0.00 0.00 179.25 179.83 3nft h LEU 1190N 0.90 0.43 -0.52 0.00 3.38 -0.81 -1.59 115.31 117.10 3nft h LEU 1190Ca 0.19 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3nft h LEU 1190Cb 0.35 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3nft h LEU 1190CO 0.00 0.32 0.18 0.40 0.09 0.00 0.00 178.44 179.43 3nft h ILE 1191N 0.50 1.23 -0.40 1.22 2.04 -0.99 -2.59 117.51 118.51 3nft h ILE 1191Ca 0.14 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3nft h ILE 1191Cb -0.05 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3nft h ILE 1191CO -0.03 0.28 0.19 -0.61 0.00 0.00 0.00 178.15 177.98 3nft h GLN 1192N 0.71 0.56 -1.00 2.37 5.75 -0.77 -1.66 115.11 121.06 3nft h GLN 1192Ca 0.17 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.64 3nft h GLN 1192Cb 0.25 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.64 3nft h GLN 1192CO -0.01 0.44 0.65 0.37 -2.65 0.00 0.00 178.83 177.64 3nft h GLN 1193N 0.56 1.25 -0.12 1.69 4.15 -0.90 0.11 115.11 121.85 3nft h GLN 1193Ca 0.14 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3nft h GLN 1193Cb 0.06 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3nft h GLN 1193CO -0.02 0.83 0.03 0.28 -1.93 0.00 0.00 178.83 178.02 3nft h VAL 1194N 1.29 1.20 -0.79 2.39 2.07 -1.12 -2.87 116.25 118.41 3nft h VAL 1194Ca 0.39 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3nft h VAL 1194Cb -0.05 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3nft h VAL 1194CO -0.11 0.18 0.48 0.40 0.02 0.00 0.00 177.57 178.54 3nft h ILE 1195N -0.00 1.04 0.00 4.57 2.04 -0.73 -2.03 117.51 122.40 3nft h ILE 1195Ca 0.04 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3nft h ILE 1195Cb 0.26 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3nft h ILE 1195CO 0.00 0.16 0.00 0.44 0.00 0.00 0.00 178.15 178.75 3nft h ASP 1196N 0.90 0.00 0.00 1.72 3.45 -0.73 -3.13 116.42 118.63 3nft h ASP 1196Ca 0.34 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.78 3nft h ASP 1196Cb 0.14 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.87 3nft h ASP 1196CO -0.16 0.00 -0.37 1.41 -1.57 0.00 0.00 179.24 178.55 3nft n HIS 1197N -2.83 0.00 -1.71 4.55 8.25 -0.79 -5.05 115.22 117.63 3nft n HIS 1197Ca 0.00 -1.12 -0.43 0.00 -0.26 0.00 0.00 57.72 55.91 3nft n HIS 1197Cb 0.23 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3nft n HIS 1197CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3nft n LEU 1198N -1.00 3.82 -4.75 2.41 4.77 -1.04 -4.92 117.00 116.29 3nft n LEU 1198Ca 0.15 1.15 -0.38 0.00 -0.03 0.00 0.00 56.01 56.91 3nft n LEU 1198Cb 0.72 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.32 3nft n LEU 1198CO -0.02 -0.15 0.96 -2.84 -1.33 0.00 0.00 177.39 174.01 3nft s PRO 1199N -0.67 3.25 0.21 3.23 0.02 -1.26 -4.98 135.00 134.79 3nft s PRO 1199Ca 0.64 2.17 0.11 0.00 0.02 0.00 0.00 61.00 63.94 3nft s PRO 1199Cb -0.56 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.62 3nft s PRO 1199CO 0.51 -1.08 -0.17 0.95 -0.33 0.00 0.00 177.00 176.87 3nft s THR 1200N -1.34 2.71 0.04 0.99 -4.23 -1.26 -4.34 115.64 108.21 3nft s THR 1200Ca 0.70 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 3nft s THR 1200Cb -0.39 -2.34 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 3nft s THR 1200CO 0.46 -0.17 -0.11 -0.04 -0.54 0.00 0.00 174.62 174.22 3nft s MET 1201N -2.90 0.71 -0.20 3.99 -1.94 -0.22 -4.98 119.30 113.77 3nft s MET 1201Ca 0.24 -0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 53.48 3nft s MET 1201Cb -0.08 -0.64 -0.01 0.00 2.01 0.00 0.00 34.83 36.12 3nft s MET 1201CO 0.13 0.15 -0.08 -1.14 -0.01 0.00 0.00 175.02 174.07 3nft s GLN 1202N -1.24 3.33 0.68 2.03 2.00 -1.26 0.15 119.66 125.35 3nft s GLN 1202Ca -0.03 -0.66 -0.15 0.00 -2.00 0.00 0.00 55.36 52.53 3nft s GLN 1202Cb -0.08 -2.90 0.01 0.00 0.80 0.00 0.00 33.01 30.84 3nft s GLN 1202CO 0.01 -0.14 1.13 -0.51 -0.50 0.00 0.00 175.29 175.28 3nft s LEU 1203N 1.29 3.35 0.55 3.68 1.43 0.12 -4.99 118.68 124.11 3nft s LEU 1203Ca 0.03 2.07 -0.21 0.00 -1.03 0.00 0.00 54.13 55.00 3nft s LEU 1203Cb -0.14 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.46 3nft s LEU 1203CO -0.04 -1.81 1.09 -2.65 0.23 0.00 0.00 176.35 173.17 3nft n PRO 1204N -2.56 1.22 -1.76 1.29 -0.02 -1.26 -4.91 135.00 127.00 3nft n PRO 1204Ca 0.11 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3nft n PRO 1204Cb 0.52 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3nft n PRO 1204CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3nft n LYS 1205N -0.77 2.51 -0.49 -0.52 4.81 -1.26 -2.03 118.16 120.40 3nft n LYS 1205Ca 0.12 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 3nft n LYS 1205Cb 0.45 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.90 3nft n LYS 1205CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3nft n GLY 1206N 0.53 0.92 3.77 3.14 0.00 -1.26 -5.04 105.19 107.26 3nft n GLY 1206Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3nft n GLY 1206CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nft s ALA 1207N -3.07 3.44 -0.70 4.61 0.00 -0.86 -4.92 121.76 120.26 3nft s ALA 1207Ca 0.00 1.35 -0.27 0.00 0.00 0.00 0.00 51.96 53.05 3nft s ALA 1207Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.63 3nft s ALA 1207CO 0.00 -0.84 1.22 0.34 0.00 0.00 0.00 175.76 176.48 3nft s ASP 1208N -0.46 6.21 0.18 0.00 -1.08 -1.26 -4.89 116.67 115.37 3nft s ASP 1208Ca 0.53 -0.43 -0.10 0.00 -0.52 0.00 0.00 52.55 52.03 3nft s ASP 1208Cb -0.41 -2.54 0.09 0.00 -1.46 0.00 0.00 42.92 38.59 3nft s ASP 1208CO 0.55 -1.72 1.70 0.40 0.52 0.00 0.00 175.17 176.62 3nft h ILE 1209N 6.04 1.25 -0.59 4.11 1.08 -1.94 -1.50 117.51 125.97 3nft h ILE 1209Ca -0.28 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 3nft h ILE 1209Cb 1.05 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 3nft h ILE 1209CO 1.25 0.34 0.36 0.00 -0.69 0.00 0.00 178.15 179.42 3nft h ALA 1210N 1.06 0.75 -0.20 1.87 0.00 -1.98 0.73 119.26 121.49 3nft h ALA 1210Ca 0.20 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3nft h ALA 1210Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3nft h ALA 1210CO 0.00 0.22 0.07 -0.09 0.00 0.00 0.00 179.25 179.45 3nft h ARG 1211N 0.80 0.16 -0.37 0.00 2.43 -1.88 -1.89 114.38 113.63 3nft h ARG 1211Ca 0.21 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3nft h ARG 1211Cb -0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3nft h ARG 1211CO -0.04 0.11 -0.14 -1.49 -1.51 0.00 0.00 179.97 176.90 3nft h TRP 1212N 0.17 0.74 -0.57 2.20 4.06 -0.98 0.17 115.95 121.72 3nft h TRP 1212Ca 0.09 -0.13 0.00 0.00 2.06 0.00 0.00 58.89 60.91 3nft h TRP 1212Cb 0.05 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 3nft h TRP 1212CO -0.12 0.77 0.37 0.00 -3.56 0.00 0.00 178.44 175.91 3nft h ARG 1213N 0.61 0.76 -0.51 0.49 3.08 -0.70 -0.46 114.38 117.65 3nft h ARG 1213Ca 0.10 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3nft h ARG 1213Cb 0.59 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3nft h ARG 1213CO 0.04 0.52 0.10 0.87 -1.07 0.00 0.00 179.97 180.43 3nft h LYS 1214N 0.78 0.84 -0.49 0.04 1.57 -0.92 -2.14 116.57 116.25 3nft h LYS 1214Ca 0.21 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3nft h LYS 1214Cb -0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3nft h LYS 1214CO -0.04 0.81 0.19 1.49 -0.57 0.00 0.00 179.45 181.33 3nft h GLU 1215N 0.72 0.74 0.00 3.15 4.57 -0.71 -3.28 114.58 119.77 3nft h GLU 1215Ca 0.16 -0.14 -0.21 0.00 -1.18 0.00 0.00 59.36 57.99 3nft h GLU 1215Cb 0.37 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 3nft h GLU 1215CO 0.01 0.66 -1.35 -0.07 -1.18 0.00 0.00 179.01 177.08 3nft h LEU 1216N 0.65 0.00 0.00 1.64 3.38 -1.06 -3.51 115.31 116.41 3nft h LEU 1216Ca 0.16 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3nft h LEU 1216Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3nft h LEU 1216CO -0.01 0.79 -0.03 0.61 0.09 0.00 0.00 178.44 179.89 3nft n GLY 1217N 1.43 -2.07 0.77 0.83 0.00 -0.81 -4.49 105.19 100.85 3nft n GLY 1217Ca -0.09 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.56 3nft n GLY 1217CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3nft n ASP 1218N -0.37 2.21 0.14 1.61 5.68 -1.26 -2.89 116.55 121.66 3nft n ASP 1218Ca 0.00 -2.09 0.12 0.00 -0.50 0.00 0.00 54.79 52.32 3nft n ASP 1218Cb 0.04 -0.31 0.49 0.00 -1.14 0.00 0.00 41.12 40.20 3nft n ASP 1218CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3nft h ALA 1219N 3.53 1.00 -2.16 2.12 0.00 -1.97 -3.45 119.26 118.33 3nft h ALA 1219Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 3nft h ALA 1219Cb 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.28 3nft h ALA 1219CO 0.05 0.00 -0.68 0.14 0.00 0.00 0.00 179.25 178.75 3nft s VAL 1220N -3.30 1.38 0.05 0.00 -7.23 -1.14 -1.35 120.40 108.80 3nft s VAL 1220Ca 0.05 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.21 3nft s VAL 1220Cb 0.10 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 3nft s VAL 1220CO 0.44 -0.42 -0.26 -0.44 -0.31 0.00 0.00 175.10 174.11 3nft s SER 1221N -3.34 3.09 -0.10 4.85 0.01 0.01 -4.83 113.70 113.39 3nft s SER 1221Ca 0.26 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.96 3nft s SER 1221Cb 0.04 -0.28 0.01 0.00 0.21 0.00 0.00 66.02 66.00 3nft s SER 1221CO 0.08 0.25 -0.15 -0.63 0.41 0.00 0.00 173.24 173.20 3nft s ILE 1222N -0.80 1.48 0.79 1.44 1.01 -1.26 -0.91 121.20 122.95 3nft s ILE 1222Ca 0.11 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 3nft s ILE 1222Cb -0.10 -1.34 0.07 0.00 0.01 0.00 0.00 42.46 41.09 3nft s ILE 1222CO 0.02 0.44 1.13 -0.94 0.00 0.00 0.00 174.94 175.58 3nft s SER 1223N 0.86 4.62 0.60 3.58 1.04 -0.02 -4.93 113.70 119.46 3nft s SER 1223Ca -0.09 1.05 0.38 0.00 0.48 0.00 0.00 55.95 57.77 3nft s SER 1223Cb -0.15 -1.72 1.88 0.00 0.10 0.00 0.00 66.02 66.13 3nft s SER 1223CO 0.01 -1.86 2.18 0.44 0.98 0.00 0.00 173.24 174.99 3nft h ASP 1224N -1.02 0.00 -0.28 7.02 3.45 -2.01 -1.41 116.42 122.17 3nft h ASP 1224Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3nft h ASP 1224Cb 1.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 3nft h ASP 1224CO 0.63 0.02 0.00 -1.54 -1.57 0.00 0.00 179.24 176.78 3nft n SER 1225N -3.18 1.99 0.00 6.45 3.41 -1.26 -4.93 113.62 116.10 3nft n SER 1225Ca -0.01 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3nft n SER 1225Cb 0.19 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3nft n SER 1225CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nft n GLY 1226N 1.16 0.55 3.65 5.00 0.00 -0.53 -4.84 105.19 110.17 3nft n GLY 1226Ca 0.15 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3nft n GLY 1226CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nft s VAL 1227N -2.00 4.87 -0.23 1.61 1.01 -1.26 -0.70 120.40 123.70 3nft s VAL 1227Ca 0.00 1.50 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 3nft s VAL 1227Cb 0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3nft s VAL 1227CO 0.00 -0.03 0.25 -0.69 0.00 0.00 0.00 175.10 174.62 3nft s VAL 1228N 2.62 5.30 0.20 2.92 1.01 0.12 -0.84 120.40 131.72 3nft s VAL 1228Ca 0.34 0.36 0.11 0.00 0.00 0.00 0.00 61.98 62.79 3nft s VAL 1228Cb -0.16 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3nft s VAL 1228CO 0.08 0.30 -0.24 0.42 0.00 0.00 0.00 175.10 175.66 3nft s THR 1229N 1.26 2.36 -0.17 3.92 -4.23 -0.09 -1.05 115.64 117.63 3nft s THR 1229Ca 0.11 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 3nft s THR 1229Cb -0.14 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 3nft s THR 1229CO 0.06 -0.13 0.39 -0.63 -0.54 0.00 0.00 174.62 173.78 3nft s ILE 1230N -1.70 5.22 -0.02 2.99 1.01 -1.26 -0.81 121.20 126.62 3nft s ILE 1230Ca 0.21 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 3nft s ILE 1230Cb -0.08 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 3nft s ILE 1230CO 0.10 0.30 1.72 0.21 0.00 0.00 0.00 174.94 177.27 3nft s ASN 1231N 0.82 6.62 -0.01 3.58 3.84 -0.46 -4.88 114.94 124.45 3nft s ASN 1231Ca 0.20 2.35 0.04 0.00 0.21 0.00 0.00 52.86 55.66 3nft s ASN 1231Cb -0.14 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.15 3nft s ASN 1231CO 0.07 -0.95 1.04 -0.81 -2.79 0.00 0.00 177.10 173.67 3nft n PRO 1232N 7.08 1.39 -0.31 0.43 -0.04 -1.26 -4.49 135.00 137.80 3nft n PRO 1232Ca 0.18 -0.52 -0.03 0.00 -0.04 0.00 0.00 63.50 63.09 3nft n PRO 1232Cb 0.42 -1.20 0.09 0.00 -0.04 0.00 0.00 33.50 32.77 3nft n PRO 1232CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3nft h ASP 1233N 0.81 0.97 -0.32 3.54 -0.00 -1.97 -0.11 116.42 119.34 3nft h ASP 1233Ca 0.00 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.03 56.84 3nft h ASP 1233Cb 0.28 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.37 3nft h ASP 1233CO 0.02 0.70 -0.44 0.11 -0.00 0.00 0.00 179.24 179.63 3nft h LYS 1234N 1.14 0.89 -0.83 4.15 6.56 -1.95 -1.22 116.57 125.31 3nft h LYS 1234Ca 0.32 -0.49 -0.04 0.00 -1.06 0.00 0.00 60.65 59.37 3nft h LYS 1234Cb -0.11 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.54 3nft h LYS 1234CO -0.08 1.14 0.36 -0.07 -2.06 0.00 0.00 179.45 178.74 3nft h LEU 1235N 0.71 1.12 -0.61 2.94 3.38 -1.73 -0.55 115.31 120.57 3nft h LEU 1235Ca 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3nft h LEU 1235Cb 1.03 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3nft h LEU 1235CO 0.10 0.97 0.39 0.40 0.09 0.00 0.00 178.44 180.39 3nft h ILE 1236N 1.19 1.17 -0.65 1.22 2.04 -0.81 0.76 117.51 122.43 3nft h ILE 1236Ca 0.28 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3nft h ILE 1236Cb 0.18 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3nft h ILE 1236CO -0.03 0.17 0.21 0.11 0.00 0.00 0.00 178.15 178.61 3nft h LYS 1237N 0.83 1.01 -0.11 2.37 1.57 -0.89 0.17 116.57 121.52 3nft h LYS 1237Ca 0.22 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3nft h LYS 1237Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3nft h LYS 1237CO -0.05 0.88 0.06 0.52 -0.57 0.00 0.00 179.45 180.30 3nft h MET 1238N 0.94 0.15 -0.26 3.15 2.86 -0.85 -2.08 114.93 118.83 3nft h MET 1238Ca 0.21 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3nft h MET 1238Cb 0.29 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 3nft h MET 1238CO -0.01 0.15 0.04 -0.09 1.06 0.00 0.00 176.91 178.06 3nft h ARG 1239N 0.10 0.13 0.00 1.72 2.43 -0.46 -2.56 114.38 115.74 3nft h ARG 1239Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3nft h ARG 1239Cb 0.04 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3nft h ARG 1239CO -0.01 0.08 0.00 -0.25 -1.51 0.00 0.00 179.97 178.29 3nft n ASP 1240N -5.10 0.37 0.19 -3.80 10.43 0.55 -2.50 116.55 116.68 3nft n ASP 1240Ca -0.01 0.58 0.13 0.00 2.57 0.00 0.00 54.79 58.07 3nft n ASP 1240Cb 0.12 -0.66 0.40 0.00 1.84 0.00 0.00 41.12 42.81 3nft n ASP 1240CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3nft h SER 1241N 0.00 0.00 -3.74 -2.24 4.64 -0.94 -3.47 113.55 107.80 3nft h SER 1241Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3nft h SER 1241Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3nft h SER 1241CO 0.00 0.00 0.26 -0.76 -0.87 0.00 0.00 176.83 175.46 3nft s LEU 1242N -5.45 4.41 0.94 5.97 1.43 -1.04 -5.07 118.68 119.88 3nft s LEU 1242Ca 0.06 1.72 -0.15 0.00 -1.03 0.00 0.00 54.13 54.73 3nft s LEU 1242Cb 0.09 -3.76 0.19 0.00 0.03 0.00 0.00 46.19 42.73 3nft s LEU 1242CO 0.58 0.02 1.30 -2.16 0.23 0.00 0.00 176.35 176.32 3nft s PRO 1243N -1.81 0.74 0.86 1.29 0.04 -1.26 -4.97 135.00 129.88 3nft s PRO 1243Ca 0.45 -0.43 -0.13 0.00 0.04 0.00 0.00 61.00 60.93 3nft s PRO 1243Cb -0.20 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.59 3nft s PRO 1243CO 0.24 -2.34 1.22 -1.25 0.04 0.00 0.00 177.00 174.92 3nft s PRO 1244N -5.84 1.57 0.58 0.56 0.04 -1.26 -3.23 135.00 127.41 3nft s PRO 1244Ca 0.73 -0.04 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 3nft s PRO 1244Cb -0.04 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 3nft s PRO 1244CO 0.52 -1.84 0.83 -0.25 0.04 0.00 0.00 177.00 176.30 3nft n ASP 1245N -3.45 0.22 0.00 6.66 10.43 -1.26 -2.84 116.55 126.31 3nft n ASP 1245Ca 0.10 0.80 0.00 0.00 2.57 0.00 0.00 54.79 58.26 3nft n ASP 1245Cb 0.61 -1.32 0.00 0.00 1.84 0.00 0.00 41.12 42.25 3nft n ASP 1245CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3nft n GLY 1246N 1.44 0.48 3.71 0.44 0.00 -1.23 -4.83 105.19 105.20 3nft n GLY 1246Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3nft n GLY 1246CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nft s THR 1247N -2.06 3.49 -0.23 2.61 2.01 -1.02 -4.87 115.64 115.57 3nft s THR 1247Ca 0.00 1.05 -0.02 0.00 0.31 0.00 0.00 61.69 63.03 3nft s THR 1247Cb 0.00 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.84 3nft s THR 1247CO 0.00 0.07 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.24 3nft s VAL 1248N 1.21 3.00 0.02 3.82 1.01 -1.26 -0.75 120.40 127.45 3nft s VAL 1248Ca 0.63 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.92 3nft s VAL 1248Cb -0.35 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3nft s VAL 1248CO 0.30 0.34 -0.24 0.26 0.00 0.00 0.00 175.10 175.76 3nft s TRP 1249N 1.39 2.38 0.85 5.22 0.51 0.17 -4.96 118.94 124.51 3nft s TRP 1249Ca 0.03 -0.38 -0.11 0.00 -2.12 0.00 0.00 56.10 53.52 3nft s TRP 1249Cb -0.15 -1.45 0.11 0.00 -0.81 0.00 0.00 33.47 31.17 3nft s TRP 1249CO -0.05 0.10 1.14 0.16 -0.51 0.00 0.00 176.95 177.79 3nft s ASP 1250N -1.04 3.50 0.23 2.95 -4.77 -1.26 -0.32 116.67 115.96 3nft s ASP 1250Ca 0.12 2.14 -0.06 0.00 -3.30 0.00 0.00 52.55 51.44 3nft s ASP 1250Cb -0.10 -2.56 0.36 0.00 -1.09 0.00 0.00 42.92 39.53 3nft s ASP 1250CO 0.01 -2.72 1.79 0.74 0.70 0.00 0.00 175.17 175.70 3nft h THR 1251N -1.43 0.88 -0.58 2.11 2.02 -1.90 -1.34 112.91 112.67 3nft h THR 1251Ca -0.44 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 3nft h THR 1251Cb 1.26 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3nft h THR 1251CO 0.45 0.12 0.26 0.00 0.37 0.00 0.00 175.52 176.73 3nft h ALA 1252N 1.44 0.74 -0.37 6.16 0.00 -1.91 0.61 119.26 125.93 3nft h ALA 1252Ca 0.37 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3nft h ALA 1252Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3nft h ALA 1252CO -0.26 0.32 -0.20 0.00 0.00 0.00 0.00 179.25 179.11 3nft h ARG 1253N 0.79 0.71 -0.56 0.00 3.08 -1.82 -1.64 114.38 114.94 3nft h ARG 1253Ca 0.20 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3nft h ARG 1253Cb 0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3nft h ARG 1253CO -0.02 0.86 0.29 -0.92 -1.07 0.00 0.00 179.97 179.11 3nft h TYR 1254N 0.63 0.78 -0.36 3.04 5.03 -0.73 -2.05 116.97 123.31 3nft h TYR 1254Ca 0.09 -0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.30 3nft h TYR 1254Cb 0.68 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 3nft h TYR 1254CO 0.03 0.59 -0.10 1.96 -1.32 0.00 0.00 178.16 179.32 3nft h GLN 1255N 0.75 0.62 -0.54 1.82 4.20 -0.59 0.95 115.11 122.33 3nft h GLN 1255Ca 0.19 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3nft h GLN 1255Cb 0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3nft h GLN 1255CO -0.03 0.71 0.27 0.00 -0.67 0.00 0.00 178.83 179.11 3nft h ALA 1256N 1.32 0.69 -0.32 3.87 0.00 -1.05 0.15 119.26 123.92 3nft h ALA 1256Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3nft h ALA 1256Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3nft h ALA 1256CO 0.03 0.25 0.11 2.35 0.00 0.00 0.00 179.25 181.98 3nft h TRP 1257N 0.72 0.51 -1.00 0.00 7.01 -0.78 -2.29 115.95 120.13 3nft h TRP 1257Ca 0.19 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.15 3nft h TRP 1257Cb 0.10 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 26.96 3nft h TRP 1257CO -0.01 0.51 0.66 -0.97 -2.79 0.00 0.00 178.44 175.84 3nft h ASN 1258N 0.37 1.15 -0.48 2.65 -1.24 -0.62 0.29 115.58 117.69 3nft h ASN 1258Ca 0.11 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 3nft h ASN 1258Cb 0.23 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 3nft h ASN 1258CO -0.00 0.84 0.16 0.74 -1.29 0.00 0.00 177.43 177.87 3nft h THR 1259N 1.36 1.22 -0.61 -3.57 2.02 -0.84 0.81 112.91 113.30 3nft h THR 1259Ca 0.37 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3nft h THR 1259Cb -0.15 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3nft h THR 1259CO -0.08 0.27 0.26 0.00 0.37 0.00 0.00 175.52 176.34 3nft h ALA 1260N 1.02 0.79 -0.40 6.16 0.00 -0.78 -1.18 119.26 124.86 3nft h ALA 1260Ca 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3nft h ALA 1260Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3nft h ALA 1260CO -0.01 0.39 0.24 0.35 0.00 0.00 0.00 179.25 180.22 3nft h PHE 1261N 0.84 0.53 -0.47 0.00 3.57 -0.63 -2.29 116.94 118.50 3nft h PHE 1261Ca 0.20 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3nft h PHE 1261Cb 0.18 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3nft h PHE 1261CO 0.01 0.38 0.23 0.77 -2.23 0.00 0.00 178.31 177.46 3nft h SER 1262N 0.52 0.58 -0.63 0.41 0.02 -0.68 -1.20 113.55 112.57 3nft h SER 1262Ca 0.14 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3nft h SER 1262Cb 0.00 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 3nft h SER 1262CO -0.03 0.49 0.38 1.23 -1.14 0.00 0.00 176.83 177.77 3nft h GLY 1263N 0.76 0.91 0.94 -3.77 0.00 -0.64 0.24 103.07 101.50 3nft h GLY 1263Ca 0.16 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 3nft h GLY 1263CO -0.02 0.22 -0.15 1.46 0.00 0.00 0.00 176.54 178.05 3nft h GLN 1264N 0.74 0.67 -0.40 4.80 1.08 -1.11 -1.59 115.11 119.30 3nft h GLN 1264Ca 0.26 -0.29 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 3nft h GLN 1264Cb 0.06 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 3nft h GLN 1264CO -0.12 0.88 0.09 -0.22 -0.95 0.00 0.00 178.83 178.51 3nft h LYS 1265N 0.44 0.22 -0.11 1.46 3.64 -1.01 -1.69 116.57 119.53 3nft h LYS 1265Ca 0.07 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3nft h LYS 1265Cb 0.68 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3nft h LYS 1265CO 0.05 0.15 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.69 3nft h ASP 1266N 0.23 0.18 -0.42 4.20 3.32 -0.36 -1.15 116.42 122.42 3nft h ASP 1266Ca 0.19 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3nft h ASP 1266Cb 0.22 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3nft h ASP 1266CO -0.24 0.43 0.21 -1.13 -1.72 0.00 0.00 179.24 176.80 3nft h ASN 1267N 0.17 0.55 -0.85 6.45 -0.73 -0.59 -0.35 115.58 120.23 3nft h ASN 1267Ca 0.03 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.05 3nft h ASN 1267Cb 0.53 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.94 3nft h ASN 1267CO 0.04 0.51 0.41 0.40 -0.37 0.00 0.00 177.43 178.42 3nft h ILE 1268N 0.55 1.26 -0.65 2.57 2.04 -0.63 -0.84 117.51 121.80 3nft h ILE 1268Ca 0.15 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3nft h ILE 1268Cb 0.10 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 3nft h ILE 1268CO -0.02 0.31 0.34 -0.61 0.00 0.00 0.00 178.15 178.17 3nft h GLN 1269N 1.21 0.92 -0.68 2.37 4.15 -0.99 -2.10 115.11 119.98 3nft h GLN 1269Ca 0.29 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 3nft h GLN 1269Cb 0.11 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 3nft h GLN 1269CO -0.04 0.70 0.27 -0.97 -1.93 0.00 0.00 178.83 176.87 3nft h ASN 1270N 0.89 0.91 -0.63 -0.69 -0.73 -0.53 0.13 115.58 114.94 3nft h ASN 1270Ca 0.23 -0.13 0.01 0.00 1.87 0.00 0.00 56.30 58.28 3nft h ASN 1270Cb 0.06 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.39 3nft h ASN 1270CO -0.03 0.81 0.42 0.44 -0.37 0.00 0.00 177.43 178.69 3nft h ASP 1271N 0.98 0.71 -0.12 1.15 3.32 -0.66 -0.36 116.42 121.44 3nft h ASP 1271Ca 0.23 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 3nft h ASP 1271Cb 0.18 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.57 3nft h ASP 1271CO -0.02 0.51 -0.63 0.58 -1.72 0.00 0.00 179.24 177.96 3nft h VAL 1272N 0.84 1.33 -0.54 -1.35 2.07 -1.00 -1.68 116.25 115.91 3nft h VAL 1272Ca 0.23 -1.90 0.08 0.00 0.82 0.00 0.00 66.70 65.94 3nft h VAL 1272Cb -0.09 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 3nft h VAL 1272CO -0.06 0.59 0.17 -0.61 0.02 0.00 0.00 177.57 177.68 3nft h GLN 1273N 0.31 0.32 -0.37 1.57 5.75 -0.58 0.10 115.11 122.21 3nft h GLN 1273Ca -0.04 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3nft h GLN 1273Cb 1.27 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.72 3nft h GLN 1273CO 0.13 0.21 0.22 1.15 -2.65 0.00 0.00 178.83 177.89 3nft h THR 1274N 0.33 1.03 -0.15 2.39 2.02 -0.94 -1.10 112.91 116.49 3nft h THR 1274Ca 0.27 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 3nft h THR 1274Cb 0.33 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3nft h THR 1274CO -0.30 0.08 -0.38 -0.07 0.37 0.00 0.00 175.52 175.22 3nft h LEU 1275N 0.44 0.33 -0.89 2.58 4.07 -0.73 -1.87 115.31 119.24 3nft h LEU 1275Ca 0.15 -0.14 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 3nft h LEU 1275Cb 0.01 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 3nft h LEU 1275CO -0.07 0.69 -0.15 0.58 -1.08 0.00 0.00 178.44 178.41 3nft h VAL 1276N 0.27 1.25 -0.61 1.22 2.07 -0.52 0.33 116.25 120.27 3nft h VAL 1276Ca 0.03 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 3nft h VAL 1276Cb 0.80 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3nft h VAL 1276CO 0.06 0.39 0.15 -0.33 0.02 0.00 0.00 177.57 177.87 3nft h GLU 1277N 0.59 0.96 -0.30 1.57 5.08 -0.71 -0.16 114.58 121.59 3nft h GLU 1277Ca 0.10 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 3nft h GLU 1277Cb 0.60 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3nft h GLU 1277CO 0.04 0.85 -0.40 0.87 -1.00 0.00 0.00 179.01 179.37 3nft h LYS 1278N 0.92 0.73 -0.56 2.33 1.57 -0.79 -1.80 116.57 118.96 3nft h LYS 1278Ca 0.20 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3nft h LYS 1278Cb 0.32 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3nft h LYS 1278CO -0.00 1.00 0.29 -0.92 -0.57 0.00 0.00 179.45 179.24 3nft h TYR 1279N 0.60 0.79 -0.53 -1.35 3.20 -0.69 -1.24 116.97 117.74 3nft h TYR 1279Ca 0.05 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3nft h TYR 1279Cb 0.94 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 3nft h TYR 1279CO 0.05 0.59 0.19 1.03 -1.64 0.00 0.00 178.16 178.37 3nft h SER 1280N 0.75 0.18 -0.85 -2.11 0.87 -0.82 -0.21 113.55 111.38 3nft h SER 1280Ca 0.19 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 3nft h SER 1280Cb 0.08 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 3nft h SER 1280CO -0.03 0.12 0.55 -0.74 -0.53 0.00 0.00 176.83 176.21 3nft h HIS 1281N 0.36 1.04 -0.71 2.24 -0.00 -0.91 -0.03 115.15 117.14 3nft h HIS 1281Ca 0.26 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.66 3nft h HIS 1281Cb 0.30 -0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 3nft h HIS 1281CO -0.17 0.62 0.46 0.37 -0.00 0.00 0.00 177.93 179.22 3nft h GLN 1282N 1.09 0.93 -0.60 5.26 5.75 -0.50 0.87 115.11 127.92 3nft h GLN 1282Ca 0.33 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.70 3nft h GLN 1282Cb -0.05 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.27 3nft h GLN 1282CO -0.10 0.62 0.11 -0.91 -2.65 0.00 0.00 178.83 175.91 3nft h ASN 1283N 0.96 0.90 -0.35 -0.69 2.35 -0.32 0.10 115.58 118.53 3nft h ASN 1283Ca 0.26 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3nft h ASN 1283Cb -0.10 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 3nft h ASN 1283CO -0.06 0.90 0.20 -1.28 -1.65 0.00 0.00 177.43 175.55 3nft h SER 1284N 0.91 0.43 -0.90 5.81 0.87 -0.65 -1.83 113.55 118.19 3nft h SER 1284Ca 0.19 -0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.74 3nft h SER 1284Cb 0.37 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.17 3nft h SER 1284CO 0.01 0.37 0.58 0.78 -0.53 0.00 0.00 176.83 178.04 3nft h ASN 1285N 0.45 0.90 -0.12 6.23 2.35 -0.35 -0.95 115.58 124.10 3nft h ASN 1285Ca 0.12 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3nft h ASN 1285Cb 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3nft h ASN 1285CO -0.02 0.58 0.04 0.15 -1.65 0.00 0.00 177.43 176.52 3nft h PHE 1286N 1.02 0.19 -0.68 1.19 3.57 -0.70 0.62 116.94 122.16 3nft h PHE 1286Ca 0.38 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.93 3nft h PHE 1286Cb 0.19 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 3nft h PHE 1286CO -0.00 0.32 0.37 -0.44 -2.23 0.00 0.00 178.31 176.33 3nft h ASP 1287N 0.01 0.55 -0.74 0.41 3.45 -0.90 -0.58 116.42 118.62 3nft h ASP 1287Ca 0.04 0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.48 3nft h ASP 1287Cb 0.22 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 38.88 3nft h ASP 1287CO -0.00 0.35 0.29 0.78 -1.57 0.00 0.00 179.24 179.09 3nft h ASN 1288N 0.69 1.03 -0.47 6.45 2.35 -0.99 -1.28 115.58 123.35 3nft h ASN 1288Ca 0.30 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3nft h ASN 1288Cb 0.20 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3nft h ASN 1288CO -0.19 0.93 0.21 0.25 -1.65 0.00 0.00 177.43 176.98 3nft h LEU 1289N 1.07 0.28 -0.55 1.61 5.85 -0.06 0.44 115.31 123.96 3nft h LEU 1289Ca 0.25 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 3nft h LEU 1289Cb 0.23 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3nft h LEU 1289CO -0.02 0.20 0.22 0.58 -0.34 0.00 0.00 178.44 179.08 3nft h VAL 1290N 0.42 1.22 -0.83 1.05 2.07 -0.90 0.07 116.25 119.36 3nft h VAL 1290Ca 0.21 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3nft h VAL 1290Cb 0.15 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3nft h VAL 1290CO -0.17 0.27 0.39 0.11 0.02 0.00 0.00 177.57 178.18 3nft h LYS 1291N 0.75 1.19 -0.16 1.57 1.57 -0.82 0.42 116.57 121.10 3nft h LYS 1291Ca 0.18 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3nft h LYS 1291Cb 0.21 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3nft h LYS 1291CO -0.01 0.92 0.06 0.28 -0.57 0.00 0.00 179.45 180.12 3nft h VAL 1292N 1.18 1.17 -0.63 0.50 2.07 -0.61 -1.88 116.25 118.04 3nft h VAL 1292Ca 0.28 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3nft h VAL 1292Cb 0.13 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3nft h VAL 1292CO -0.03 0.16 0.10 -0.07 0.02 0.00 0.00 177.57 177.74 3nft h LEU 1293N 0.09 0.99 -0.46 2.57 3.38 -0.75 -0.25 115.31 120.87 3nft h LEU 1293Ca 0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3nft h LEU 1293Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3nft h LEU 1293CO -0.00 0.99 0.09 0.28 0.09 0.00 0.00 178.44 179.89 3nft h SER 1294N 0.97 0.72 -0.61 -0.43 0.02 -0.89 -0.25 113.55 113.09 3nft h SER 1294Ca 0.19 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3nft h SER 1294Cb 0.43 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3nft h SER 1294CO 0.01 0.79 0.27 1.23 -1.14 0.00 0.00 176.83 177.99 3nft h GLY 1295N 0.63 0.97 0.86 -3.77 0.00 -1.10 -0.85 103.07 99.81 3nft h GLY 1295Ca 0.14 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.98 3nft h GLY 1295CO 0.01 0.48 0.11 0.00 0.00 0.00 0.00 176.54 177.13 3nft h ALA 1296N 1.11 0.29 -0.90 3.60 0.00 -0.79 -0.50 119.26 122.06 3nft h ALA 1296Ca 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3nft h ALA 1296Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3nft h ALA 1296CO -0.02 -0.30 0.50 0.82 0.00 0.00 0.00 179.25 180.25 3nft h ILE 1297N 0.23 1.26 0.21 0.00 2.04 -0.86 -0.17 117.51 120.22 3nft h ILE 1297Ca 0.10 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3nft h ILE 1297Cb 0.05 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 3nft h ILE 1297CO -0.09 0.29 -0.10 -1.28 0.00 0.00 0.00 178.15 176.97 3nft h SER 1298N 1.25 -0.23 -0.74 1.72 0.87 -0.87 -0.35 113.55 115.20 3nft h SER 1298Ca 0.32 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.87 3nft h SER 1298Cb 0.01 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 3nft h SER 1298CO -0.05 -0.12 0.46 0.74 -0.53 0.00 0.00 176.83 177.33 3nft h THR 1299N -0.33 1.09 0.00 2.23 2.02 -0.87 -1.03 112.91 116.01 3nft h THR 1299Ca -0.03 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 3nft h THR 1299Cb 0.26 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3nft h THR 1299CO 0.05 0.16 -0.40 -0.07 0.37 0.00 0.00 175.52 175.63 3nft h LEU 1300N 0.90 0.00 -0.27 2.58 3.38 -0.92 -1.18 115.31 119.79 3nft h LEU 1300Ca 0.30 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.09 3nft h LEU 1300Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3nft h LEU 1300CO -0.12 0.40 -0.52 0.74 0.09 0.00 0.00 178.44 179.04 3nft h THR 1301N 0.00 1.29 -0.21 0.22 2.02 -0.33 -2.89 112.91 113.00 3nft h THR 1301Ca -0.00 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.44 3nft h THR 1301Cb 0.86 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 3nft h THR 1301CO 0.05 0.55 0.00 0.44 0.37 0.00 0.00 175.52 176.94 3nft h ASP 1302N 0.58 0.36 -0.60 4.18 3.32 -1.05 -3.02 116.42 120.20 3nft h ASP 1302Ca 0.01 -0.31 -0.35 0.00 0.02 0.00 0.00 57.03 56.41 3nft h ASP 1302Cb 1.12 -0.10 -0.13 0.00 0.22 0.00 0.00 39.33 40.44 3nft h ASP 1302CO 0.12 0.58 0.29 0.35 -1.72 0.00 0.00 179.24 178.86 3nft n THR 1303N -4.68 2.94 -0.88 0.35 -2.24 -0.46 -5.12 114.28 104.19 3nft n THR 1303Ca -0.04 -2.03 0.00 0.00 -2.27 0.00 0.00 64.05 59.71 3nft n THR 1303Cb 0.23 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 3nft n THR 1303CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50