REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1pu4_1_A DATA FIRST_RESID 55 DATA SEQUENCE GQSQLFADLS REELTAVMRF LTQRLGPGLV DAAQARPSDN CVFSVELQLP DATA SEQUENCE PKAAALAHLD RGSPPPAREA LAIVFFGRQP QPNVSELVVG PLPHPSYMRD DATA SEQUENCE VTVERHGGPL PYHRRPVLFQ EYLDIDQMIF NRELPQASGL LHHCCFYXXX DATA SEQUENCE GRNLVTMTTA PRGLQSGDRA TWFGLYYNIS GAGFFLHHVG LELLVNHKAL DATA SEQUENCE DPARWTIQKV FYQGRYYDSL AQLEAQFEAG LVNVVLIPDN GTGGSWSLKS DATA SEQUENCE PVPPGPAPPL QFYPQGPRFS VQGSRVASSL WTFSFGLGAF SGPRIFDVRF DATA SEQUENCE QGERLVYEIS LQEALAIYGG NSPAAMTTRY VDGGFGMGKY TTPLTRGVDc DATA SEQUENCE PYLATYVDWH FLLESQAPKT IRDAFcVFEQ NQGLPLRRHH SDLYSHYFGG DATA SEQUENCE LAETVLVVRS MSTLLNXDYV WDTVFHPSGA IEIRFYATGY ISSAFLFGAT DATA SEQUENCE GKYGNQVSEH TLGTVHTHSA HFKVDLDVAG LENWVWAEDM VFVPMAVPWS DATA SEQUENCE PEHQLQRLQV TRKLLEMEEQ AAFLVGSATP RYLYLASNHS NKWGHPRGYR DATA SEQUENCE IQMLSFAGEP LPQNSSMARG FSWERYQLAV TQRKEEEPSS SSVFNQNDPW DATA SEQUENCE APTVDFSDFI NNETIAGKDL VAWVTAGFLH IPHAEDIPNT VTVGNGVGFF DATA SEQUENCE LRPYNFFDED PSFYSADSIY FRGDQDAGAc EVNPLAcLPQ AAACAPDLPA DATA SEQUENCE FSHGGFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 55 G HA2 0.000 nan 3.960 nan 0.000 0.244 55 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 55 G C 0.000 174.748 174.900 -0.253 0.000 0.946 55 G CA 0.000 44.832 45.100 -0.446 0.000 0.502 56 Q N 0.596 120.353 119.800 -0.072 0.000 2.365 56 Q HA 0.168 4.508 4.340 -0.000 0.000 0.203 56 Q C 1.210 177.260 176.000 0.084 0.000 0.929 56 Q CA 0.005 55.818 55.803 0.016 0.000 0.948 56 Q CB 0.379 29.121 28.738 0.007 0.000 1.043 56 Q HN 0.475 nan 8.270 nan 0.000 0.505 57 S N 0.505 116.336 115.700 0.218 0.000 2.585 57 S HA 0.105 4.575 4.470 -0.000 0.000 0.273 57 S C 0.069 174.706 174.600 0.061 0.000 1.339 57 S CA -0.147 58.138 58.200 0.141 0.000 1.028 57 S CB 0.658 63.928 63.200 0.116 0.000 0.906 57 S HN 0.218 nan 8.310 nan 0.000 0.528 58 Q N 3.378 123.169 119.800 -0.015 0.000 2.963 58 Q HA 0.223 4.563 4.340 -0.000 0.000 0.262 58 Q C 0.591 176.505 176.000 -0.143 0.000 1.318 58 Q CA -0.175 55.604 55.803 -0.041 0.000 1.089 58 Q CB 0.144 28.859 28.738 -0.039 0.000 1.424 58 Q HN 0.653 nan 8.270 nan 0.000 0.560 59 L N -0.462 120.585 121.223 -0.293 0.000 2.376 59 L HA -0.031 4.309 4.340 -0.000 0.000 0.219 59 L C 0.936 177.428 176.870 -0.631 0.000 1.133 59 L CA 1.160 55.664 54.840 -0.559 0.000 0.816 59 L CB -0.171 41.305 42.059 -0.971 0.000 0.933 59 L HN 0.479 nan 8.230 nan 0.000 0.449 60 F N 0.329 120.168 119.950 -0.186 0.000 2.647 60 F HA 0.350 4.877 4.527 0.000 0.000 0.300 60 F C 1.189 176.890 175.800 -0.165 0.000 1.106 60 F CA -0.613 57.212 58.000 -0.292 0.000 1.313 60 F CB 0.184 38.946 39.000 -0.397 0.000 1.007 60 F HN -0.119 nan 8.300 nan 0.000 0.536 61 A N 0.731 123.533 122.820 -0.031 0.000 2.309 61 A HA 0.209 4.529 4.320 -0.000 0.000 0.290 61 A C 0.100 177.681 177.584 -0.004 0.000 1.206 61 A CA -0.782 51.232 52.037 -0.040 0.000 0.850 61 A CB -0.033 18.923 19.000 -0.073 0.000 1.118 61 A HN 0.254 nan 8.150 nan 0.000 0.523 62 D N 1.801 122.237 120.400 0.061 0.000 2.567 62 D HA -0.052 4.588 4.640 -0.000 0.000 0.228 62 D C 0.169 176.482 176.300 0.022 0.000 1.185 62 D CA 0.718 54.791 54.000 0.122 0.000 0.874 62 D CB 0.471 41.444 40.800 0.289 0.000 1.219 62 D HN 0.449 nan 8.370 nan 0.000 0.494 63 L N 1.415 122.630 121.223 -0.014 0.000 2.490 63 L HA -0.017 4.323 4.340 -0.000 0.000 0.274 63 L C 1.516 178.305 176.870 -0.135 0.000 1.201 63 L CA -0.188 54.602 54.840 -0.083 0.000 0.869 63 L CB 0.399 42.403 42.059 -0.091 0.000 1.123 63 L HN 0.479 nan 8.230 nan 0.000 0.484 64 S N 3.441 119.030 115.700 -0.185 0.000 2.626 64 S HA 0.214 4.684 4.470 -0.000 0.000 0.257 64 S C 1.054 175.447 174.600 -0.346 0.000 1.288 64 S CA -0.618 57.390 58.200 -0.320 0.000 0.980 64 S CB 0.846 63.886 63.200 -0.266 0.000 0.975 64 S HN 0.663 nan 8.310 nan 0.000 0.577 65 R N 0.504 120.732 120.500 -0.453 0.000 2.127 65 R HA 0.087 4.427 4.340 -0.000 0.000 0.217 65 R C 1.981 178.152 176.300 -0.215 0.000 1.074 65 R CA 0.897 56.809 56.100 -0.313 0.000 0.991 65 R CB -0.446 29.684 30.300 -0.283 0.000 0.895 65 R HN 0.703 nan 8.270 nan 0.000 0.450 66 E N 1.688 121.766 120.200 -0.204 0.000 2.110 66 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 66 E C 1.754 178.258 176.600 -0.160 0.000 0.988 66 E CA 1.172 57.476 56.400 -0.159 0.000 0.804 66 E CB 0.039 29.648 29.700 -0.151 0.000 0.745 66 E HN 0.486 nan 8.360 nan 0.000 0.458 67 E N 0.586 120.679 120.200 -0.178 0.000 2.106 67 E HA -0.138 4.213 4.350 -0.000 0.000 0.192 67 E C 2.236 178.748 176.600 -0.146 0.000 0.984 67 E CA 0.575 56.872 56.400 -0.171 0.000 0.806 67 E CB 0.015 29.614 29.700 -0.168 0.000 0.750 67 E HN 0.210 nan 8.360 nan 0.000 0.458 68 L N 0.562 121.696 121.223 -0.148 0.000 2.005 68 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 68 L C 2.601 179.409 176.870 -0.103 0.000 1.072 68 L CA 1.370 56.133 54.840 -0.128 0.000 0.744 68 L CB -0.647 41.318 42.059 -0.156 0.000 0.895 68 L HN 0.149 nan 8.230 nan 0.000 0.433 69 T N 0.046 114.536 114.554 -0.108 0.000 2.699 69 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 69 T C 1.984 176.655 174.700 -0.048 0.000 1.036 69 T CA 1.382 63.436 62.100 -0.077 0.000 1.147 69 T CB -0.429 68.393 68.868 -0.077 0.000 0.862 69 T HN 0.445 nan 8.240 nan 0.000 0.446 70 A N 1.001 123.781 122.820 -0.066 0.000 1.902 70 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 70 A C 2.592 180.171 177.584 -0.009 0.000 1.181 70 A CA 1.432 53.442 52.037 -0.044 0.000 0.623 70 A CB -0.940 17.996 19.000 -0.107 0.000 0.818 70 A HN 0.389 nan 8.150 nan 0.000 0.443 71 V N -0.741 119.146 119.914 -0.045 0.000 2.667 71 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 71 V C 2.495 178.624 176.094 0.057 0.000 1.065 71 V CA 1.778 64.065 62.300 -0.021 0.000 1.083 71 V CB -0.558 31.227 31.823 -0.064 0.000 0.692 71 V HN 0.522 nan 8.190 nan 0.000 0.468 72 M N 0.107 119.721 119.600 0.024 0.000 2.123 72 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 72 M C 2.256 178.593 176.300 0.061 0.000 1.069 72 M CA 1.630 56.949 55.300 0.030 0.000 1.133 72 M CB -0.982 31.612 32.600 -0.009 0.000 1.356 72 M HN 0.181 nan 8.290 nan 0.000 0.415 73 R N -1.625 118.911 120.500 0.060 0.000 2.083 73 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 73 R C 2.203 178.560 176.300 0.096 0.000 1.137 73 R CA 1.903 58.041 56.100 0.062 0.000 0.951 73 R CB -0.807 29.526 30.300 0.055 0.000 0.851 73 R HN 0.317 nan 8.270 nan 0.000 0.434 74 F N 1.392 121.335 119.950 -0.011 0.000 2.126 74 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 74 F C 2.002 177.810 175.800 0.013 0.000 1.096 74 F CA 1.518 59.516 58.000 -0.004 0.000 1.255 74 F CB -0.120 38.867 39.000 -0.023 0.000 0.997 74 F HN -0.058 nan 8.300 nan 0.000 0.479 75 L N -1.008 120.356 121.223 0.235 0.000 2.027 75 L HA -0.226 4.114 4.340 -0.000 0.000 0.206 75 L C 2.388 179.292 176.870 0.056 0.000 1.074 75 L CA 1.676 56.611 54.840 0.157 0.000 0.745 75 L CB -1.117 41.032 42.059 0.150 0.000 0.898 75 L HN 0.096 nan 8.230 nan 0.000 0.433 76 T N -0.813 113.766 114.554 0.042 0.000 2.565 76 T HA -0.292 4.058 4.350 -0.000 0.000 0.265 76 T C 1.870 176.564 174.700 -0.010 0.000 1.082 76 T CA 1.536 63.648 62.100 0.021 0.000 1.173 76 T CB -0.233 68.644 68.868 0.016 0.000 0.864 76 T HN 0.302 nan 8.240 nan 0.000 0.425 77 Q N 0.214 119.979 119.800 -0.058 0.000 2.234 77 Q HA -0.019 4.321 4.340 -0.000 0.000 0.206 77 Q C 2.003 177.933 176.000 -0.117 0.000 0.980 77 Q CA 1.301 57.044 55.803 -0.099 0.000 0.869 77 Q CB -0.157 28.483 28.738 -0.164 0.000 0.912 77 Q HN 0.428 nan 8.270 nan 0.000 0.436 78 R N -0.492 119.928 120.500 -0.134 0.000 2.543 78 R HA 0.269 4.609 4.340 -0.000 0.000 0.323 78 R C 0.969 177.272 176.300 0.004 0.000 1.002 78 R CA -0.105 55.927 56.100 -0.113 0.000 1.106 78 R CB 0.605 30.760 30.300 -0.241 0.000 1.280 78 R HN 0.100 nan 8.270 nan 0.000 0.549 79 L N 0.242 121.495 121.223 0.051 0.000 2.818 79 L HA 0.327 4.667 4.340 -0.000 0.000 0.243 79 L C 0.240 177.186 176.870 0.127 0.000 1.185 79 L CA -0.165 54.760 54.840 0.141 0.000 0.988 79 L CB 0.939 43.113 42.059 0.192 0.000 1.292 79 L HN 0.295 nan 8.230 nan 0.000 0.519 80 G N 1.062 109.899 108.800 0.062 0.000 2.716 80 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 80 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 80 G C -2.992 171.941 174.900 0.055 0.000 1.337 80 G CA -1.055 44.074 45.100 0.049 0.000 0.829 80 G HN 0.052 nan 8.290 nan 0.000 0.599 81 P HA 0.624 nan 4.420 nan 0.000 0.283 81 P C 0.689 178.018 177.300 0.048 0.000 1.271 81 P CA 0.892 64.015 63.100 0.038 0.000 0.841 81 P CB 1.316 33.030 31.700 0.023 0.000 1.122 82 G N 0.009 108.839 108.800 0.049 0.000 2.203 82 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.231 82 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.231 82 G C -0.590 174.358 174.900 0.080 0.000 1.058 82 G CA -0.438 44.697 45.100 0.058 0.000 0.781 82 G HN 0.587 nan 8.290 nan 0.000 0.496 83 L N 1.506 122.775 121.223 0.077 0.000 2.276 83 L HA 0.642 4.982 4.340 -0.000 0.000 0.286 83 L C 0.306 177.222 176.870 0.076 0.000 1.024 83 L CA -0.545 54.348 54.840 0.088 0.000 0.826 83 L CB 1.340 43.449 42.059 0.084 0.000 1.211 83 L HN -0.001 nan 8.230 nan 0.000 0.422 84 V N 3.247 123.213 119.914 0.087 0.000 2.644 84 V HA 0.194 4.314 4.120 -0.000 0.000 0.295 84 V C 0.219 176.362 176.094 0.082 0.000 1.053 84 V CA -0.951 61.399 62.300 0.083 0.000 0.987 84 V CB 1.647 33.528 31.823 0.096 0.000 1.006 84 V HN 0.687 nan 8.190 nan 0.000 0.472 85 D N 2.508 122.952 120.400 0.074 0.000 2.493 85 D HA 0.136 4.776 4.640 -0.000 0.000 0.240 85 D C 1.019 177.379 176.300 0.101 0.000 1.142 85 D CA 0.722 54.765 54.000 0.072 0.000 0.872 85 D CB 1.575 42.415 40.800 0.066 0.000 1.173 85 D HN 0.671 nan 8.370 nan 0.000 0.467 86 A N 4.141 127.020 122.820 0.099 0.000 1.969 86 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 86 A C 2.106 179.809 177.584 0.197 0.000 1.169 86 A CA 1.640 53.762 52.037 0.142 0.000 0.635 86 A CB -0.666 18.397 19.000 0.106 0.000 0.810 86 A HN 0.683 nan 8.150 nan 0.000 0.445 87 A N -1.339 121.587 122.820 0.177 0.000 2.070 87 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 87 A C 1.905 179.644 177.584 0.258 0.000 1.159 87 A CA 1.487 53.668 52.037 0.240 0.000 0.656 87 A CB -0.240 18.866 19.000 0.176 0.000 0.800 87 A HN 0.616 nan 8.150 nan 0.000 0.453 88 Q N -1.323 118.589 119.800 0.188 0.000 2.149 88 Q HA 0.361 4.701 4.340 -0.000 0.000 0.221 88 Q C 0.227 176.313 176.000 0.144 0.000 0.807 88 Q CA 0.087 55.983 55.803 0.156 0.000 1.000 88 Q CB 0.701 29.510 28.738 0.119 0.000 1.157 88 Q HN 0.573 nan 8.270 nan 0.000 0.487 89 A N 1.446 124.369 122.820 0.172 0.000 2.425 89 A HA 0.362 4.681 4.320 -0.000 0.000 0.249 89 A C 0.103 177.793 177.584 0.178 0.000 1.084 89 A CA -0.113 52.028 52.037 0.175 0.000 0.781 89 A CB 0.441 19.568 19.000 0.212 0.000 1.019 89 A HN 0.060 nan 8.150 nan 0.000 0.490 90 R N 1.737 122.329 120.500 0.153 0.000 2.573 90 R HA 0.340 4.680 4.340 -0.000 0.000 0.272 90 R C -1.943 174.475 176.300 0.197 0.000 1.009 90 R CA -2.368 53.816 56.100 0.141 0.000 1.059 90 R CB -0.000 30.343 30.300 0.073 0.000 1.112 90 R HN 0.395 nan 8.270 nan 0.000 0.517 91 P HA -0.181 nan 4.420 nan 0.000 0.218 91 P C 0.582 178.039 177.300 0.262 0.000 1.152 91 P CA 1.689 64.973 63.100 0.306 0.000 0.857 91 P CB 0.193 32.076 31.700 0.306 0.000 0.787 92 S N -2.903 112.880 115.700 0.138 0.000 2.605 92 S HA 0.096 4.566 4.470 -0.000 0.000 0.217 92 S C 0.500 175.148 174.600 0.080 0.000 0.958 92 S CA -0.273 57.961 58.200 0.057 0.000 0.919 92 S CB -0.476 62.738 63.200 0.024 0.000 0.780 92 S HN 0.043 nan 8.310 nan 0.000 0.507 93 D N 2.304 122.790 120.400 0.143 0.000 2.388 93 D HA 0.362 5.002 4.640 -0.000 0.000 0.254 93 D C -0.228 176.195 176.300 0.205 0.000 1.111 93 D CA -0.406 53.686 54.000 0.153 0.000 0.993 93 D CB 0.482 41.374 40.800 0.154 0.000 1.118 93 D HN 0.269 nan 8.370 nan 0.000 0.502 94 N N -0.710 118.103 118.700 0.189 0.000 2.466 94 N HA 0.563 5.303 4.740 -0.000 0.000 0.294 94 N C -1.109 174.488 175.510 0.146 0.000 1.129 94 N CA -0.426 52.744 53.050 0.201 0.000 0.931 94 N CB 1.545 40.180 38.487 0.248 0.000 1.193 94 N HN 0.156 nan 8.380 nan 0.000 0.500 95 C N 1.708 121.057 119.300 0.081 0.000 3.046 95 C HA 0.224 4.684 4.460 -0.000 0.000 0.388 95 C C -1.085 173.869 174.990 -0.060 0.000 1.041 95 C CA -0.578 58.474 59.018 0.058 0.000 1.241 95 C CB 0.608 28.445 27.740 0.161 0.000 1.638 95 C HN 0.436 nan 8.230 nan 0.000 0.539 96 V N 6.109 125.999 119.914 -0.040 0.000 2.348 96 V HA 0.254 4.374 4.120 -0.000 0.000 0.270 96 V C 0.593 176.642 176.094 -0.075 0.000 1.037 96 V CA -0.019 62.244 62.300 -0.062 0.000 0.872 96 V CB 0.863 32.674 31.823 -0.020 0.000 1.002 96 V HN 0.873 nan 8.190 nan 0.000 0.464 97 F N 3.978 123.712 119.950 -0.360 0.000 2.187 97 F HA 0.135 4.662 4.527 -0.000 0.000 0.295 97 F C 1.261 177.014 175.800 -0.078 0.000 1.091 97 F CA 0.995 58.748 58.000 -0.412 0.000 1.308 97 F CB 0.443 38.855 39.000 -0.981 0.000 1.030 97 F HN 0.558 nan 8.300 nan 0.000 0.487 98 S N -0.002 115.658 115.700 -0.067 0.000 2.533 98 S HA 0.684 5.154 4.470 -0.000 0.000 0.271 98 S C -1.596 173.035 174.600 0.052 0.000 1.143 98 S CA -0.630 57.556 58.200 -0.022 0.000 0.891 98 S CB 1.452 64.773 63.200 0.203 0.000 1.105 98 S HN -0.069 nan 8.310 nan 0.000 0.468 99 V N 3.319 123.247 119.914 0.024 0.000 2.577 99 V HA 0.815 4.935 4.120 -0.000 0.000 0.303 99 V C -0.494 175.617 176.094 0.028 0.000 1.042 99 V CA -0.389 61.931 62.300 0.034 0.000 0.872 99 V CB 1.287 33.108 31.823 -0.003 0.000 0.998 99 V HN 1.103 nan 8.190 nan 0.000 0.423 100 E N 4.013 124.250 120.200 0.061 0.000 2.437 100 E HA 0.586 4.936 4.350 -0.000 0.000 0.280 100 E C -1.240 175.402 176.600 0.070 0.000 1.044 100 E CA -1.199 55.239 56.400 0.063 0.000 0.826 100 E CB 2.043 31.807 29.700 0.106 0.000 1.358 100 E HN 0.463 nan 8.360 nan 0.000 0.459 101 L N 1.529 122.792 121.223 0.067 0.000 2.578 101 L HA 0.070 4.410 4.340 -0.000 0.000 0.279 101 L C -0.194 176.726 176.870 0.084 0.000 1.227 101 L CA 0.621 55.492 54.840 0.052 0.000 0.900 101 L CB 0.543 42.634 42.059 0.054 0.000 1.144 101 L HN 0.650 nan 8.230 nan 0.000 0.496 102 Q N 4.604 124.441 119.800 0.061 0.000 2.349 102 Q HA 0.414 4.754 4.340 -0.000 0.000 0.254 102 Q C -1.068 174.965 176.000 0.056 0.000 0.980 102 Q CA -0.045 55.807 55.803 0.082 0.000 0.924 102 Q CB 0.547 29.331 28.738 0.076 0.000 1.209 102 Q HN 0.745 nan 8.270 nan 0.000 0.445 103 L N 6.671 127.947 121.223 0.087 0.000 2.483 103 L HA 0.315 4.655 4.340 -0.000 0.000 0.276 103 L C -1.663 175.242 176.870 0.058 0.000 1.213 103 L CA -1.519 53.359 54.840 0.064 0.000 0.843 103 L CB 0.090 42.235 42.059 0.144 0.000 1.107 103 L HN 0.670 nan 8.230 nan 0.000 0.487 104 P HA 0.287 nan 4.420 nan 0.000 0.278 104 P C -2.652 174.704 177.300 0.092 0.000 1.266 104 P CA -1.619 61.486 63.100 0.009 0.000 0.807 104 P CB -0.048 31.593 31.700 -0.098 0.000 1.094 105 P HA 0.195 nan 4.420 nan 0.000 0.278 105 P C 0.650 177.990 177.300 0.068 0.000 1.238 105 P CA -0.281 62.859 63.100 0.067 0.000 0.794 105 P CB 1.416 33.136 31.700 0.034 0.000 0.955 106 K N 1.925 122.331 120.400 0.009 0.000 2.025 106 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 106 K C 1.998 178.567 176.600 -0.052 0.000 1.049 106 K CA 1.402 57.620 56.287 -0.116 0.000 0.933 106 K CB -0.664 31.614 32.500 -0.371 0.000 0.714 106 K HN 0.481 nan 8.250 nan 0.000 0.438 107 A N 1.409 124.205 122.820 -0.040 0.000 1.873 107 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 107 A C 2.382 179.981 177.584 0.026 0.000 1.269 107 A CA 2.799 54.831 52.037 -0.010 0.000 0.671 107 A CB -1.419 17.576 19.000 -0.008 0.000 0.842 107 A HN 0.525 nan 8.150 nan 0.000 0.460 108 A N -0.980 121.857 122.820 0.029 0.000 1.972 108 A HA 0.179 4.499 4.320 -0.000 0.000 0.219 108 A C 2.494 180.119 177.584 0.069 0.000 1.169 108 A CA 2.289 54.348 52.037 0.037 0.000 0.635 108 A CB -0.981 18.025 19.000 0.011 0.000 0.810 108 A HN 1.270 nan 8.150 nan 0.000 0.446 109 A N -0.296 122.580 122.820 0.092 0.000 1.898 109 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 109 A C 2.163 179.889 177.584 0.236 0.000 1.181 109 A CA 1.406 53.532 52.037 0.148 0.000 0.620 109 A CB -0.504 18.652 19.000 0.260 0.000 0.819 109 A HN 0.462 nan 8.150 nan 0.000 0.442 110 L N -0.892 120.459 121.223 0.212 0.000 2.044 110 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 110 L C 3.102 180.054 176.870 0.136 0.000 1.075 110 L CA 0.835 55.791 54.840 0.195 0.000 0.747 110 L CB -0.762 41.382 42.059 0.140 0.000 0.903 110 L HN 0.411 nan 8.230 nan 0.000 0.435 111 A N 0.172 123.056 122.820 0.107 0.000 1.929 111 A HA -0.390 3.930 4.320 -0.000 0.000 0.221 111 A C 2.131 179.779 177.584 0.106 0.000 1.211 111 A CA 2.755 54.844 52.037 0.088 0.000 0.657 111 A CB -1.091 17.955 19.000 0.075 0.000 0.827 111 A HN 0.606 nan 8.150 nan 0.000 0.462 112 H N -0.733 118.358 119.070 0.035 0.000 2.307 112 H HA 0.096 4.652 4.556 -0.000 0.000 0.303 112 H C 1.802 177.154 175.328 0.041 0.000 1.073 112 H CA 1.851 57.914 56.048 0.024 0.000 1.338 112 H CB -0.308 29.455 29.762 0.003 0.000 1.389 112 H HN 0.344 nan 8.280 nan 0.000 0.503 113 L N -0.094 121.156 121.223 0.046 0.000 2.141 113 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 113 L C 1.606 178.467 176.870 -0.014 0.000 1.094 113 L CA 1.429 56.269 54.840 0.001 0.000 0.763 113 L CB -0.113 42.054 42.059 0.179 0.000 0.908 113 L HN 0.399 nan 8.230 nan 0.000 0.437 114 D N -1.028 119.388 120.400 0.026 0.000 2.566 114 D HA 0.016 4.656 4.640 -0.000 0.000 0.253 114 D C 1.888 178.191 176.300 0.006 0.000 0.992 114 D CA 0.691 54.710 54.000 0.032 0.000 0.940 114 D CB 0.163 41.003 40.800 0.067 0.000 1.095 114 D HN 0.062 nan 8.370 nan 0.000 0.480 115 R N -0.100 120.405 120.500 0.009 0.000 2.388 115 R HA 0.214 4.554 4.340 -0.000 0.000 0.247 115 R C 0.909 177.201 176.300 -0.013 0.000 0.931 115 R CA 0.417 56.521 56.100 0.006 0.000 1.082 115 R CB 0.496 30.810 30.300 0.023 0.000 1.135 115 R HN 0.209 nan 8.270 nan 0.000 0.525 116 G N 0.383 109.149 108.800 -0.057 0.000 2.189 116 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.267 116 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.267 116 G C 0.332 175.222 174.900 -0.016 0.000 0.975 116 G CA 0.624 45.679 45.100 -0.075 0.000 0.644 116 G HN 0.383 nan 8.290 nan 0.000 0.537 117 S N 1.965 117.687 115.700 0.036 0.000 2.592 117 S HA 0.411 4.881 4.470 -0.000 0.000 0.256 117 S C -1.552 173.165 174.600 0.194 0.000 1.369 117 S CA 0.092 58.345 58.200 0.088 0.000 0.984 117 S CB 0.600 63.849 63.200 0.082 0.000 0.919 117 S HN 0.462 nan 8.310 nan 0.000 0.576 118 P HA 0.348 nan 4.420 nan 0.000 0.277 118 P C -2.673 174.656 177.300 0.048 0.000 1.240 118 P CA -1.766 61.414 63.100 0.133 0.000 0.798 118 P CB -0.524 31.205 31.700 0.047 0.000 0.979 119 P HA 0.278 nan 4.420 nan 0.000 0.277 119 P C -2.313 174.836 177.300 -0.252 0.000 1.240 119 P CA -1.632 61.123 63.100 -0.574 0.000 0.798 119 P CB -0.904 30.301 31.700 -0.826 0.000 0.979 120 P HA 0.183 nan 4.420 nan 0.000 0.274 120 P C -0.511 176.724 177.300 -0.109 0.000 1.237 120 P CA -0.384 62.648 63.100 -0.113 0.000 0.793 120 P CB 0.357 32.004 31.700 -0.089 0.000 0.977 121 A N 2.505 125.296 122.820 -0.048 0.000 2.520 121 A HA 0.075 4.395 4.320 -0.000 0.000 0.245 121 A C 0.732 178.290 177.584 -0.043 0.000 1.072 121 A CA -0.208 51.818 52.037 -0.018 0.000 0.761 121 A CB -0.418 18.624 19.000 0.070 0.000 1.004 121 A HN 0.633 nan 8.150 nan 0.000 0.499 122 R N 2.997 123.451 120.500 -0.077 0.000 2.248 122 R HA 0.284 4.624 4.340 -0.000 0.000 0.328 122 R C -0.612 175.636 176.300 -0.086 0.000 1.067 122 R CA 0.121 56.161 56.100 -0.099 0.000 0.924 122 R CB 0.285 30.508 30.300 -0.129 0.000 1.013 122 R HN 0.812 nan 8.270 nan 0.000 0.454 123 E N 2.605 122.769 120.200 -0.060 0.000 2.320 123 E HA 0.631 4.981 4.350 -0.000 0.000 0.264 123 E C -1.147 175.424 176.600 -0.048 0.000 0.923 123 E CA -1.325 55.039 56.400 -0.060 0.000 0.796 123 E CB 1.996 31.708 29.700 0.020 0.000 1.262 123 E HN 0.689 nan 8.360 nan 0.000 0.428 124 A N 1.175 123.962 122.820 -0.055 0.000 2.354 124 A HA 0.718 5.038 4.320 -0.000 0.000 0.321 124 A C -1.398 176.206 177.584 0.032 0.000 1.125 124 A CA -0.679 51.348 52.037 -0.017 0.000 0.799 124 A CB 0.983 19.954 19.000 -0.049 0.000 1.293 124 A HN 0.501 nan 8.150 nan 0.000 0.452 125 L N 1.291 122.560 121.223 0.076 0.000 2.343 125 L HA 0.746 5.086 4.340 -0.000 0.000 0.278 125 L C -0.048 176.905 176.870 0.139 0.000 0.996 125 L CA -0.188 54.726 54.840 0.123 0.000 0.831 125 L CB 1.430 43.588 42.059 0.165 0.000 1.232 125 L HN 0.851 nan 8.230 nan 0.000 0.413 126 A N 6.201 129.101 122.820 0.134 0.000 2.304 126 A HA 0.709 5.029 4.320 -0.000 0.000 0.323 126 A C -0.643 177.041 177.584 0.168 0.000 1.195 126 A CA -0.514 51.601 52.037 0.130 0.000 0.826 126 A CB 0.592 19.650 19.000 0.096 0.000 1.184 126 A HN 0.699 nan 8.150 nan 0.000 0.496 127 I N 2.513 123.200 120.570 0.195 0.000 2.331 127 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 127 I C -0.726 175.447 176.117 0.094 0.000 0.998 127 I CA -0.490 60.951 61.300 0.234 0.000 1.267 127 I CB 1.734 39.972 38.000 0.397 0.000 1.386 127 I HN 0.289 nan 8.210 nan 0.000 0.476 128 V N 6.884 126.819 119.914 0.035 0.000 2.443 128 V HA 0.333 4.453 4.120 -0.000 0.000 0.293 128 V C -0.508 175.536 176.094 -0.083 0.000 1.021 128 V CA -0.619 61.564 62.300 -0.196 0.000 0.848 128 V CB 1.476 32.996 31.823 -0.503 0.000 0.998 128 V HN 0.326 nan 8.190 nan 0.000 0.424 129 F N 4.905 124.771 119.950 -0.140 0.000 2.434 129 F HA 0.443 4.970 4.527 0.000 0.000 0.358 129 F C 0.108 175.909 175.800 0.002 0.000 1.136 129 F CA -1.286 56.721 58.000 0.012 0.000 1.157 129 F CB 0.146 39.195 39.000 0.081 0.000 1.167 129 F HN 0.330 nan 8.300 nan 0.000 0.539 130 F N 2.090 122.299 119.950 0.431 0.000 2.384 130 F HA 0.359 4.886 4.527 -0.000 0.000 0.359 130 F C 1.306 177.131 175.800 0.041 0.000 1.143 130 F CA -0.718 57.406 58.000 0.206 0.000 1.216 130 F CB 0.650 39.721 39.000 0.117 0.000 1.512 130 F HN 0.572 nan 8.300 nan 0.000 0.573 131 G N 1.574 110.477 108.800 0.171 0.000 2.595 131 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.213 131 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.213 131 G C 1.048 175.885 174.900 -0.104 0.000 1.141 131 G CA -0.359 44.628 45.100 -0.189 0.000 0.806 131 G HN 0.385 nan 8.290 nan 0.000 0.530 132 R N 1.532 122.055 120.500 0.039 0.000 3.268 132 R HA 0.276 4.616 4.340 -0.000 0.000 0.217 132 R C -0.279 176.022 176.300 0.001 0.000 1.568 132 R CA 0.010 56.127 56.100 0.029 0.000 1.322 132 R CB -0.657 29.688 30.300 0.074 0.000 1.280 132 R HN 0.486 nan 8.270 nan 0.000 0.667 133 Q N 1.069 120.843 119.800 -0.044 0.000 2.721 133 Q HA 0.220 4.560 4.340 -0.000 0.000 0.282 133 Q C -2.478 173.485 176.000 -0.062 0.000 0.932 133 Q CA -1.682 54.092 55.803 -0.049 0.000 0.816 133 Q CB 0.639 29.344 28.738 -0.054 0.000 1.506 133 Q HN 0.055 nan 8.270 nan 0.000 0.399 134 P HA -0.261 nan 4.420 nan 0.000 0.216 134 P C -0.377 176.891 177.300 -0.053 0.000 1.151 134 P CA 1.714 64.787 63.100 -0.044 0.000 0.953 134 P CB 0.111 31.789 31.700 -0.036 0.000 0.789 135 Q N -0.266 119.501 119.800 -0.055 0.000 2.456 135 Q HA 0.360 4.700 4.340 -0.000 0.000 0.252 135 Q C -2.514 173.442 176.000 -0.072 0.000 1.042 135 Q CA -1.821 53.949 55.803 -0.055 0.000 0.766 135 Q CB 1.295 30.013 28.738 -0.033 0.000 1.196 135 Q HN 0.203 nan 8.270 nan 0.000 0.504 136 P HA 0.074 nan 4.420 nan 0.000 0.276 136 P C -1.070 176.209 177.300 -0.035 0.000 1.230 136 P CA -0.429 62.537 63.100 -0.223 0.000 0.776 136 P CB 0.761 32.027 31.700 -0.725 0.000 0.888 137 N N 0.909 119.686 118.700 0.128 0.000 2.453 137 N HA 0.543 5.283 4.740 -0.000 0.000 0.290 137 N C -1.208 174.487 175.510 0.308 0.000 1.250 137 N CA -1.023 52.135 53.050 0.179 0.000 0.815 137 N CB 0.597 39.150 38.487 0.109 0.000 1.381 137 N HN 0.007 nan 8.380 nan 0.000 0.510 138 V N -0.227 119.749 119.914 0.103 0.000 2.713 138 V HA 0.684 4.804 4.120 -0.000 0.000 0.307 138 V C -0.216 175.922 176.094 0.074 0.000 1.052 138 V CA -0.500 61.846 62.300 0.076 0.000 0.967 138 V CB 1.341 33.063 31.823 -0.169 0.000 1.019 138 V HN 0.812 nan 8.190 nan 0.000 0.459 139 S N 1.902 117.693 115.700 0.152 0.000 2.540 139 S HA 0.459 4.929 4.470 -0.000 0.000 0.275 139 S C -1.029 173.672 174.600 0.169 0.000 1.123 139 S CA -0.842 57.457 58.200 0.164 0.000 0.907 139 S CB 1.674 65.084 63.200 0.349 0.000 1.081 139 S HN 0.787 nan 8.310 nan 0.000 0.476 140 E N 2.531 122.827 120.200 0.160 0.000 2.134 140 E HA 0.485 4.835 4.350 -0.000 0.000 0.278 140 E C -1.087 175.628 176.600 0.190 0.000 0.959 140 E CA -0.504 56.020 56.400 0.206 0.000 0.783 140 E CB 1.147 30.997 29.700 0.251 0.000 1.095 140 E HN 0.384 nan 8.360 nan 0.000 0.399 141 L N 2.424 123.759 121.223 0.186 0.000 2.356 141 L HA 0.448 4.788 4.340 -0.000 0.000 0.277 141 L C -0.258 176.705 176.870 0.156 0.000 0.996 141 L CA -1.294 53.653 54.840 0.179 0.000 0.822 141 L CB 1.646 43.821 42.059 0.193 0.000 1.256 141 L HN 0.256 nan 8.230 nan 0.000 0.413 142 V N 3.688 123.695 119.914 0.155 0.000 2.583 142 V HA 0.350 4.470 4.120 -0.000 0.000 0.287 142 V C 0.100 176.252 176.094 0.097 0.000 1.051 142 V CA -0.352 62.028 62.300 0.133 0.000 1.010 142 V CB 1.865 33.788 31.823 0.167 0.000 0.988 142 V HN 0.481 nan 8.190 nan 0.000 0.478 143 V N 3.798 123.696 119.914 -0.026 0.000 2.569 143 V HA 0.917 5.037 4.120 -0.000 0.000 0.301 143 V C 0.303 176.117 176.094 -0.467 0.000 1.044 143 V CA 0.255 62.407 62.300 -0.247 0.000 0.874 143 V CB 1.484 33.185 31.823 -0.203 0.000 1.002 143 V HN 1.118 nan 8.190 nan 0.000 0.424 144 G N 5.804 113.997 108.800 -1.012 0.000 2.606 144 G HA2 0.772 4.732 3.960 -0.000 0.000 0.300 144 G HA3 0.772 4.732 3.960 -0.000 0.000 0.300 144 G C -3.487 170.575 174.900 -1.396 0.000 1.360 144 G CA -0.921 43.594 45.100 -0.976 0.000 0.783 144 G HN 0.473 nan 8.290 nan 0.000 0.484 145 P HA 0.641 nan 4.420 nan 0.000 0.283 145 P C -0.876 176.295 177.300 -0.214 0.000 1.278 145 P CA -0.640 62.321 63.100 -0.232 0.000 0.834 145 P CB 2.045 33.735 31.700 -0.016 0.000 1.150 146 L N 1.446 122.569 121.223 -0.168 0.000 2.334 146 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 146 L C -1.326 175.454 176.870 -0.150 0.000 1.020 146 L CA -1.580 53.149 54.840 -0.185 0.000 0.812 146 L CB 1.595 43.543 42.059 -0.185 0.000 1.264 146 L HN 0.313 nan 8.230 nan 0.000 0.439 147 P HA 0.088 nan 4.420 nan 0.000 0.262 147 P C -0.452 176.543 177.300 -0.508 0.000 1.304 147 P CA 0.384 63.251 63.100 -0.389 0.000 0.859 147 P CB 0.252 31.658 31.700 -0.489 0.000 1.310 148 H N 1.407 120.416 119.070 -0.101 0.000 2.530 148 H HA 0.264 4.820 4.556 0.000 0.000 0.246 148 H C -2.330 172.916 175.328 -0.138 0.000 1.346 148 H CA -2.069 53.929 56.048 -0.083 0.000 1.424 148 H CB 0.773 30.511 29.762 -0.040 0.000 1.445 148 H HN 0.152 nan 8.280 nan 0.000 0.511 149 P HA -0.044 nan 4.420 nan 0.000 0.265 149 P C 0.903 177.994 177.300 -0.349 0.000 1.193 149 P CA 0.267 63.069 63.100 -0.497 0.000 0.765 149 P CB 1.198 32.377 31.700 -0.869 0.000 0.823 150 S N 1.872 117.377 115.700 -0.326 0.000 2.632 150 S HA 0.154 4.624 4.470 -0.000 0.000 0.237 150 S C 0.119 174.850 174.600 0.219 0.000 1.037 150 S CA -0.323 57.923 58.200 0.077 0.000 1.009 150 S CB -0.351 62.931 63.200 0.136 0.000 0.974 150 S HN 0.507 nan 8.310 nan 0.000 0.544 151 Y N -0.513 119.758 120.300 -0.049 0.000 2.644 151 Y HA 0.826 5.376 4.550 -0.000 0.000 0.338 151 Y C -0.894 175.028 175.900 0.036 0.000 1.119 151 Y CA -1.701 56.454 58.100 0.092 0.000 1.060 151 Y CB 1.344 39.829 38.460 0.041 0.000 1.294 151 Y HN 0.166 nan 8.280 nan 0.000 0.472 152 M N 3.183 123.032 119.600 0.415 0.000 2.265 152 M HA 0.580 5.060 4.480 -0.000 0.000 0.262 152 M C -2.273 174.199 176.300 0.286 0.000 1.026 152 M CA -0.525 54.965 55.300 0.317 0.000 0.987 152 M CB 1.881 34.731 32.600 0.417 0.000 1.937 152 M HN 0.989 nan 8.290 nan 0.000 0.481 153 R N 1.260 121.910 120.500 0.250 0.000 2.778 153 R HA 0.697 5.037 4.340 -0.000 0.000 0.277 153 R C -1.197 175.201 176.300 0.163 0.000 0.977 153 R CA -0.878 55.328 56.100 0.178 0.000 0.950 153 R CB 1.229 31.605 30.300 0.127 0.000 1.165 153 R HN 0.549 nan 8.270 nan 0.000 0.474 154 D N 1.889 122.373 120.400 0.140 0.000 2.479 154 D HA 0.051 4.691 4.640 -0.000 0.000 0.218 154 D C 0.836 177.208 176.300 0.121 0.000 1.131 154 D CA -0.820 53.265 54.000 0.142 0.000 0.916 154 D CB 1.294 42.176 40.800 0.136 0.000 1.022 154 D HN 0.502 nan 8.370 nan 0.000 0.515 155 V N 1.360 121.355 119.914 0.135 0.000 3.444 155 V HA -0.049 4.071 4.120 -0.000 0.000 0.271 155 V C 1.667 177.844 176.094 0.137 0.000 1.188 155 V CA 0.951 63.331 62.300 0.133 0.000 1.168 155 V CB -1.175 30.739 31.823 0.151 0.000 0.810 155 V HN 0.414 nan 8.190 nan 0.000 0.500 156 T N 1.670 116.284 114.554 0.099 0.000 2.665 156 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 156 T C 1.881 176.597 174.700 0.026 0.000 1.035 156 T CA 2.163 64.271 62.100 0.013 0.000 1.151 156 T CB -0.380 68.470 68.868 -0.030 0.000 0.862 156 T HN 0.535 nan 8.240 nan 0.000 0.438 157 V N 1.269 121.214 119.914 0.052 0.000 2.407 157 V HA -0.040 4.080 4.120 -0.000 0.000 0.245 157 V C 2.449 178.599 176.094 0.093 0.000 1.041 157 V CA 1.373 63.706 62.300 0.055 0.000 1.040 157 V CB -0.696 31.151 31.823 0.041 0.000 0.671 157 V HN 0.488 nan 8.190 nan 0.000 0.455 158 E N 0.357 120.615 120.200 0.098 0.000 2.209 158 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 158 E C 2.343 179.021 176.600 0.130 0.000 0.993 158 E CA 1.278 57.736 56.400 0.097 0.000 0.819 158 E CB 0.110 29.862 29.700 0.087 0.000 0.745 158 E HN 0.552 nan 8.360 nan 0.000 0.477 159 R N -1.261 119.365 120.500 0.210 0.000 2.087 159 R HA 0.103 4.443 4.340 -0.000 0.000 0.213 159 R C 1.252 177.719 176.300 0.278 0.000 1.137 159 R CA 0.941 57.198 56.100 0.261 0.000 1.022 159 R CB 0.202 30.737 30.300 0.391 0.000 0.920 159 R HN 0.364 nan 8.270 nan 0.000 0.451 160 H N -1.157 117.956 119.070 0.071 0.000 2.487 160 H HA 0.287 4.843 4.556 -0.000 0.000 0.290 160 H C 0.486 175.840 175.328 0.042 0.000 1.081 160 H CA -0.063 56.022 56.048 0.062 0.000 1.116 160 H CB 0.996 30.792 29.762 0.056 0.000 1.560 160 H HN 0.448 nan 8.280 nan 0.000 0.548 161 G N 0.974 109.865 108.800 0.152 0.000 2.233 161 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.270 161 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.270 161 G C 0.492 175.428 174.900 0.059 0.000 1.011 161 G CA 0.471 45.624 45.100 0.088 0.000 0.762 161 G HN 0.956 nan 8.290 nan 0.000 0.511 162 G N -1.699 107.127 108.800 0.044 0.000 2.320 162 G HA2 0.625 4.585 3.960 -0.000 0.000 0.297 162 G HA3 0.625 4.585 3.960 -0.000 0.000 0.297 162 G C -3.101 171.781 174.900 -0.030 0.000 1.344 162 G CA 0.030 45.138 45.100 0.012 0.000 0.851 162 G HN 0.506 nan 8.290 nan 0.000 0.567 163 P HA 0.419 nan 4.420 nan 0.000 0.274 163 P C -0.223 177.003 177.300 -0.123 0.000 1.237 163 P CA -0.410 62.651 63.100 -0.065 0.000 0.793 163 P CB 0.896 32.575 31.700 -0.034 0.000 0.977 164 L N 3.428 124.538 121.223 -0.188 0.000 2.268 164 L HA 0.263 4.603 4.340 -0.000 0.000 0.289 164 L C -2.026 174.687 176.870 -0.261 0.000 1.064 164 L CA -2.033 52.626 54.840 -0.301 0.000 0.824 164 L CB 0.628 42.381 42.059 -0.511 0.000 1.202 164 L HN 0.160 nan 8.230 nan 0.000 0.433 165 P HA -0.166 nan 4.420 nan 0.000 0.261 165 P C 0.166 177.196 177.300 -0.450 0.000 1.173 165 P CA 0.364 63.272 63.100 -0.320 0.000 0.760 165 P CB 0.327 31.774 31.700 -0.422 0.000 0.783 166 Y N 3.838 123.907 120.300 -0.386 0.000 2.403 166 Y HA -0.235 4.315 4.550 -0.000 0.000 0.291 166 Y C 2.071 177.764 175.900 -0.344 0.000 1.143 166 Y CA 1.851 59.759 58.100 -0.319 0.000 1.257 166 Y CB -0.540 37.825 38.460 -0.159 0.000 0.984 166 Y HN 0.541 nan 8.280 nan 0.000 0.550 167 H N -2.827 116.191 119.070 -0.087 0.000 2.551 167 H HA 0.209 4.765 4.556 0.000 0.000 0.266 167 H C 1.851 177.094 175.328 -0.141 0.000 0.977 167 H CA 0.479 56.453 56.048 -0.124 0.000 1.163 167 H CB -0.418 29.320 29.762 -0.040 0.000 1.381 167 H HN 0.139 nan 8.280 nan 0.000 0.581 168 R N 1.200 121.488 120.500 -0.354 0.000 2.153 168 R HA 0.001 4.341 4.340 -0.000 0.000 0.218 168 R C 0.655 176.911 176.300 -0.073 0.000 1.072 168 R CA 0.354 56.390 56.100 -0.107 0.000 0.990 168 R CB -0.046 30.145 30.300 -0.182 0.000 0.889 168 R HN 0.457 nan 8.270 nan 0.000 0.452 169 R N 2.658 122.941 120.500 -0.361 0.000 2.523 169 R HA 0.027 4.367 4.340 -0.000 0.000 0.281 169 R C -2.533 173.552 176.300 -0.357 0.000 0.969 169 R CA -1.225 54.543 56.100 -0.554 0.000 1.093 169 R CB -0.375 29.018 30.300 -1.511 0.000 0.917 169 R HN -0.190 nan 8.270 nan 0.000 0.408 170 P HA -0.096 nan 4.420 nan 0.000 0.266 170 P C -0.549 176.683 177.300 -0.113 0.000 1.193 170 P CA -0.167 62.841 63.100 -0.153 0.000 0.770 170 P CB 0.482 32.143 31.700 -0.064 0.000 0.836 171 V N 4.541 124.407 119.914 -0.079 0.000 2.479 171 V HA -0.000 4.120 4.120 -0.000 0.000 0.281 171 V C 0.812 176.893 176.094 -0.023 0.000 1.031 171 V CA 0.098 62.297 62.300 -0.168 0.000 1.038 171 V CB -0.460 31.082 31.823 -0.468 0.000 0.981 171 V HN 0.346 nan 8.190 nan 0.000 0.478 172 L N 4.510 125.795 121.223 0.103 0.000 2.461 172 L HA 0.137 4.477 4.340 -0.000 0.000 0.272 172 L C 1.365 178.438 176.870 0.339 0.000 1.197 172 L CA -0.081 54.959 54.840 0.334 0.000 0.836 172 L CB 0.035 42.310 42.059 0.362 0.000 1.105 172 L HN 0.660 nan 8.230 nan 0.000 0.477 173 F N 0.929 121.109 119.950 0.384 0.000 2.115 173 F HA -0.284 4.243 4.527 0.000 0.000 0.300 173 F C 2.393 178.388 175.800 0.325 0.000 1.092 173 F CA 1.773 60.026 58.000 0.421 0.000 1.245 173 F CB -0.081 39.113 39.000 0.323 0.000 0.995 173 F HN 0.575 nan 8.300 nan 0.000 0.481 174 Q N 0.511 120.420 119.800 0.182 0.000 2.079 174 Q HA -0.230 4.110 4.340 -0.000 0.000 0.200 174 Q C 2.308 178.348 176.000 0.067 0.000 0.974 174 Q CA 1.824 57.659 55.803 0.053 0.000 0.840 174 Q CB -0.428 28.400 28.738 0.151 0.000 0.898 174 Q HN 0.652 nan 8.270 nan 0.000 0.430 175 E N -0.768 119.504 120.200 0.120 0.000 2.085 175 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 175 E C 1.673 178.301 176.600 0.048 0.000 0.994 175 E CA 1.175 57.652 56.400 0.128 0.000 0.801 175 E CB -0.063 29.654 29.700 0.028 0.000 0.743 175 E HN 0.338 nan 8.360 nan 0.000 0.453 176 Y N 0.206 120.554 120.300 0.080 0.000 2.224 176 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 176 Y C 2.125 178.007 175.900 -0.030 0.000 1.146 176 Y CA 0.942 59.075 58.100 0.056 0.000 1.182 176 Y CB -0.286 38.269 38.460 0.159 0.000 0.983 176 Y HN 0.111 nan 8.280 nan 0.000 0.524 177 L N -0.501 120.731 121.223 0.014 0.000 2.109 177 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 177 L C 1.891 178.783 176.870 0.037 0.000 1.086 177 L CA 1.244 56.048 54.840 -0.060 0.000 0.760 177 L CB -0.306 41.625 42.059 -0.214 0.000 0.910 177 L HN 0.156 nan 8.230 nan 0.000 0.437 178 D N -0.062 120.394 120.400 0.093 0.000 2.144 178 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 178 D C 2.237 178.704 176.300 0.279 0.000 0.984 178 D CA 1.280 55.375 54.000 0.158 0.000 0.834 178 D CB 0.018 40.937 40.800 0.199 0.000 0.955 178 D HN 0.351 nan 8.370 nan 0.000 0.465 179 I N 0.911 121.636 120.570 0.258 0.000 2.315 179 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 179 I C 1.636 177.747 176.117 -0.009 0.000 1.117 179 I CA 1.051 62.389 61.300 0.064 0.000 1.404 179 I CB -0.046 37.768 38.000 -0.310 0.000 1.071 179 I HN -0.175 nan 8.210 nan 0.000 0.419 180 D N 0.076 120.507 120.400 0.052 0.000 2.269 180 D HA -0.165 4.475 4.640 -0.000 0.000 0.208 180 D C 2.090 178.550 176.300 0.267 0.000 0.963 180 D CA 0.697 54.817 54.000 0.199 0.000 0.864 180 D CB -0.031 40.901 40.800 0.220 0.000 0.936 180 D HN 0.320 nan 8.370 nan 0.000 0.505 181 Q N -0.181 119.709 119.800 0.151 0.000 2.016 181 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 181 Q C 2.143 178.211 176.000 0.114 0.000 0.978 181 Q CA 0.901 56.779 55.803 0.125 0.000 0.833 181 Q CB -0.065 28.715 28.738 0.069 0.000 0.895 181 Q HN 0.291 nan 8.270 nan 0.000 0.427 182 M N -0.010 119.648 119.600 0.097 0.000 2.149 182 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 182 M C 1.670 177.974 176.300 0.007 0.000 1.064 182 M CA 1.506 56.848 55.300 0.071 0.000 1.102 182 M CB -0.060 32.624 32.600 0.140 0.000 1.369 182 M HN 0.249 nan 8.290 nan 0.000 0.408 183 I N -0.359 120.182 120.570 -0.050 0.000 2.193 183 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 183 I C 1.815 177.777 176.117 -0.260 0.000 1.084 183 I CA 1.349 62.506 61.300 -0.239 0.000 1.365 183 I CB -0.333 37.396 38.000 -0.452 0.000 1.064 183 I HN 0.217 nan 8.210 nan 0.000 0.410 184 F N 0.574 120.534 119.950 0.017 0.000 2.335 184 F HA -0.064 4.463 4.527 -0.000 0.000 0.296 184 F C 2.245 178.084 175.800 0.065 0.000 1.091 184 F CA 0.786 58.821 58.000 0.058 0.000 1.399 184 F CB -0.435 38.592 39.000 0.044 0.000 1.067 184 F HN 0.081 nan 8.300 nan 0.000 0.520 185 N N 0.097 118.907 118.700 0.184 0.000 2.258 185 N HA 0.033 4.773 4.740 -0.000 0.000 0.183 185 N C 1.835 177.380 175.510 0.058 0.000 1.029 185 N CA 0.945 54.065 53.050 0.115 0.000 0.857 185 N CB -0.308 38.232 38.487 0.089 0.000 1.008 185 N HN 0.164 nan 8.380 nan 0.000 0.433 186 R N 0.739 121.259 120.500 0.033 0.000 2.052 186 R HA 0.167 4.507 4.340 -0.000 0.000 0.224 186 R C 1.924 178.212 176.300 -0.021 0.000 1.149 186 R CA 0.767 56.871 56.100 0.007 0.000 0.962 186 R CB -0.055 30.250 30.300 0.008 0.000 0.856 186 R HN 0.144 nan 8.270 nan 0.000 0.433 187 E N 0.715 120.890 120.200 -0.041 0.000 2.051 187 E HA -0.098 4.252 4.350 -0.000 0.000 0.189 187 E C 2.043 178.575 176.600 -0.112 0.000 0.979 187 E CA 0.810 57.165 56.400 -0.076 0.000 0.803 187 E CB -0.115 29.531 29.700 -0.089 0.000 0.761 187 E HN 0.081 nan 8.360 nan 0.000 0.451 188 L N 1.017 122.163 121.223 -0.128 0.000 2.056 188 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 188 L C -0.882 175.859 176.870 -0.215 0.000 1.078 188 L CA 1.547 56.287 54.840 -0.167 0.000 0.749 188 L CB -1.383 40.596 42.059 -0.134 0.000 0.901 188 L HN 0.044 nan 8.230 nan 0.000 0.433 189 P HA -0.214 nan 4.420 nan 0.000 0.218 189 P C 1.189 178.362 177.300 -0.210 0.000 1.146 189 P CA 1.162 64.126 63.100 -0.226 0.000 0.813 189 P CB -0.095 31.549 31.700 -0.093 0.000 0.778 190 Q N -1.279 118.425 119.800 -0.160 0.000 2.508 190 Q HA -0.024 4.316 4.340 -0.000 0.000 0.214 190 Q C 1.225 177.114 176.000 -0.185 0.000 0.979 190 Q CA 1.041 56.759 55.803 -0.143 0.000 0.911 190 Q CB -0.284 28.390 28.738 -0.107 0.000 0.969 190 Q HN 0.207 nan 8.270 nan 0.000 0.504 191 A N -0.155 122.506 122.820 -0.264 0.000 2.616 191 A HA 0.156 4.476 4.320 -0.000 0.000 0.294 191 A C 1.360 178.692 177.584 -0.420 0.000 1.091 191 A CA -0.032 51.814 52.037 -0.320 0.000 0.971 191 A CB 0.235 19.022 19.000 -0.355 0.000 1.222 191 A HN 0.176 nan 8.150 nan 0.000 0.521 192 S N -0.246 115.188 115.700 -0.444 0.000 2.442 192 S HA -0.047 4.423 4.470 -0.000 0.000 0.236 192 S C 1.814 176.000 174.600 -0.690 0.000 1.007 192 S CA 2.046 59.851 58.200 -0.660 0.000 0.965 192 S CB -0.284 62.587 63.200 -0.549 0.000 0.773 192 S HN 0.685 nan 8.310 nan 0.000 0.504 193 G N 1.592 110.171 108.800 -0.369 0.000 2.404 193 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.214 193 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.214 193 G C 1.296 175.991 174.900 -0.341 0.000 1.189 193 G CA 0.809 45.837 45.100 -0.121 0.000 0.789 193 G HN 0.487 nan 8.290 nan 0.000 0.533 194 L N 0.875 121.638 121.223 -0.767 0.000 1.990 194 L HA 0.004 4.344 4.340 -0.000 0.000 0.213 194 L C 2.704 179.208 176.870 -0.610 0.000 1.072 194 L CA 1.573 55.660 54.840 -1.256 0.000 0.755 194 L CB -0.766 40.693 42.059 -1.000 0.000 0.889 194 L HN 0.220 nan 8.230 nan 0.000 0.432 195 L N -1.294 119.670 121.223 -0.433 0.000 2.265 195 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 195 L C 2.504 179.439 176.870 0.109 0.000 1.117 195 L CA 0.607 55.355 54.840 -0.152 0.000 0.782 195 L CB -0.821 41.120 42.059 -0.197 0.000 0.914 195 L HN 0.406 nan 8.230 nan 0.000 0.441 196 H N -1.932 117.129 119.070 -0.016 0.000 2.363 196 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 196 H C 2.229 177.560 175.328 0.005 0.000 1.074 196 H CA 1.185 57.261 56.048 0.048 0.000 1.354 196 H CB -0.258 29.526 29.762 0.037 0.000 1.397 196 H HN 0.291 nan 8.280 nan 0.000 0.516 197 H N 0.429 119.522 119.070 0.039 0.000 2.423 197 H HA -0.081 4.475 4.556 -0.000 0.000 0.297 197 H C 1.984 177.318 175.328 0.010 0.000 1.075 197 H CA 1.823 57.880 56.048 0.015 0.000 1.342 197 H CB 0.116 29.870 29.762 -0.013 0.000 1.395 197 H HN 0.479 nan 8.280 nan 0.000 0.530 198 C N -1.885 117.519 119.300 0.174 0.000 2.689 198 C HA 0.311 4.771 4.460 -0.000 0.000 0.336 198 C C 2.079 177.289 174.990 0.366 0.000 1.304 198 C CA 0.105 59.262 59.018 0.232 0.000 1.860 198 C CB -0.539 27.316 27.740 0.192 0.000 2.405 198 C HN 0.573 nan 8.230 nan 0.000 0.557 199 C N -1.023 118.530 119.300 0.421 0.000 3.512 199 C HA 0.519 4.979 4.460 -0.000 0.000 0.276 199 C C 0.546 175.986 174.990 0.750 0.000 1.592 199 C CA -0.510 58.910 59.018 0.670 0.000 1.803 199 C CB -2.275 25.746 27.740 0.468 0.000 2.996 199 C HN 0.609 nan 8.230 nan 0.000 0.590 200 F N -0.984 119.064 119.950 0.164 0.000 3.093 200 F HA -0.266 4.261 4.527 -0.000 0.000 0.287 200 F C 0.945 176.819 175.800 0.123 0.000 0.882 200 F CA 0.050 58.096 58.000 0.076 0.000 1.063 200 F CB -2.298 36.671 39.000 -0.051 0.000 1.097 200 F HN 0.481 nan 8.300 nan 0.000 0.604 206 R N 0.419 120.744 120.500 -0.292 0.000 2.237 206 R HA 0.065 4.405 4.340 -0.000 0.000 0.195 206 R C 1.993 178.176 176.300 -0.196 0.000 0.956 206 R CA 1.110 57.062 56.100 -0.247 0.000 1.029 206 R CB 0.098 30.294 30.300 -0.172 0.000 0.972 206 R HN 0.623 nan 8.270 nan 0.000 0.493 207 N N -0.449 118.150 118.700 -0.169 0.000 2.422 207 N HA 0.027 4.767 4.740 -0.000 0.000 0.181 207 N C 0.424 175.949 175.510 0.025 0.000 1.080 207 N CA 0.183 53.180 53.050 -0.088 0.000 0.893 207 N CB 0.309 38.740 38.487 -0.093 0.000 0.973 207 N HN -0.050 nan 8.380 nan 0.000 0.456 208 L N 0.037 121.291 121.223 0.051 0.000 2.304 208 L HA 0.727 5.067 4.340 -0.000 0.000 0.268 208 L C -0.530 176.409 176.870 0.116 0.000 1.010 208 L CA -1.314 53.642 54.840 0.192 0.000 0.813 208 L CB 1.963 44.225 42.059 0.339 0.000 1.315 208 L HN -0.099 nan 8.230 nan 0.000 0.445 209 V N -0.579 119.450 119.914 0.192 0.000 3.147 209 V HA 0.374 4.494 4.120 -0.000 0.000 0.299 209 V C -0.860 175.338 176.094 0.174 0.000 1.302 209 V CA -0.243 62.093 62.300 0.060 0.000 1.015 209 V CB 2.791 34.443 31.823 -0.284 0.000 1.086 209 V HN 0.814 nan 8.190 nan 0.000 0.437 210 T N 5.074 119.733 114.554 0.175 0.000 2.925 210 T HA 0.740 5.090 4.350 -0.000 0.000 0.285 210 T C -0.711 174.193 174.700 0.340 0.000 1.021 210 T CA -0.344 61.971 62.100 0.359 0.000 1.042 210 T CB 0.980 70.084 68.868 0.394 0.000 1.037 210 T HN 0.707 nan 8.240 nan 0.000 0.481 211 M N 2.647 122.584 119.600 0.562 0.000 2.324 211 M HA 0.398 4.878 4.480 -0.000 0.000 0.288 211 M C -0.449 175.992 176.300 0.235 0.000 1.097 211 M CA -0.509 55.049 55.300 0.430 0.000 0.928 211 M CB 1.939 34.815 32.600 0.460 0.000 1.648 211 M HN 0.555 nan 8.290 nan 0.000 0.460 212 T N 2.557 117.132 114.554 0.035 0.000 2.802 212 T HA 0.387 4.737 4.350 -0.000 0.000 0.305 212 T C 0.463 175.162 174.700 -0.002 0.000 1.053 212 T CA -0.016 61.925 62.100 -0.265 0.000 1.058 212 T CB 0.699 69.629 68.868 0.103 0.000 0.988 212 T HN 0.815 nan 8.240 nan 0.000 0.539 213 T N -1.594 112.933 114.554 -0.044 0.000 2.572 213 T HA 0.803 5.153 4.350 -0.000 0.000 0.244 213 T C 0.927 175.750 174.700 0.205 0.000 0.860 213 T CA -0.283 61.874 62.100 0.096 0.000 1.125 213 T CB 0.808 69.663 68.868 -0.021 0.000 1.491 213 T HN 0.556 nan 8.240 nan 0.000 0.532 214 A N 0.833 123.697 122.820 0.074 0.000 2.579 214 A HA 0.749 5.069 4.320 -0.000 0.000 0.220 214 A C -2.182 175.481 177.584 0.131 0.000 2.352 214 A CA -0.351 51.697 52.037 0.018 0.000 1.183 214 A CB -1.017 17.818 19.000 -0.275 0.000 1.311 214 A HN 0.658 nan 8.150 nan 0.000 0.534 215 P HA 0.442 nan 4.420 nan 0.000 0.279 215 P C -1.182 176.242 177.300 0.208 0.000 1.252 215 P CA -0.248 62.907 63.100 0.093 0.000 0.811 215 P CB 0.583 32.244 31.700 -0.065 0.000 1.035 216 R N 1.661 122.316 120.500 0.258 0.000 2.396 216 R HA 0.656 4.996 4.340 -0.000 0.000 0.292 216 R C 0.361 176.795 176.300 0.222 0.000 1.240 216 R CA -0.382 55.846 56.100 0.213 0.000 1.270 216 R CB 0.494 30.873 30.300 0.132 0.000 1.108 216 R HN 0.858 nan 8.270 nan 0.000 0.573 217 G N 0.740 109.679 108.800 0.231 0.000 2.306 217 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.262 217 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.262 217 G C -0.384 174.608 174.900 0.153 0.000 1.263 217 G CA -0.923 44.238 45.100 0.102 0.000 1.088 217 G HN 0.367 nan 8.290 nan 0.000 0.489 218 L N 0.003 121.073 121.223 -0.256 0.000 3.521 218 L HA 0.578 4.918 4.340 -0.000 0.000 0.323 218 L C 0.039 176.353 176.870 -0.926 0.000 1.268 218 L CA 0.184 54.858 54.840 -0.277 0.000 1.064 218 L CB 1.106 43.097 42.059 -0.113 0.000 1.455 218 L HN 0.766 nan 8.230 nan 0.000 0.622 219 Q N -0.178 118.497 119.800 -1.875 0.000 2.574 219 Q HA 0.216 4.556 4.340 -0.000 0.000 0.265 219 Q C -1.007 174.250 176.000 -1.238 0.000 0.975 219 Q CA -0.237 54.707 55.803 -1.432 0.000 0.923 219 Q CB 1.945 30.292 28.738 -0.651 0.000 1.518 219 Q HN -0.008 nan 8.270 nan 0.000 0.401 220 S N 1.092 116.435 115.700 -0.595 0.000 2.563 220 S HA 0.391 4.861 4.470 -0.000 0.000 0.294 220 S C 1.121 175.566 174.600 -0.259 0.000 1.279 220 S CA 2.045 60.188 58.200 -0.095 0.000 1.069 220 S CB -0.129 63.116 63.200 0.074 0.000 0.828 220 S HN 1.266 nan 8.310 nan 0.000 0.497 221 G N 4.197 112.739 108.800 -0.430 0.000 2.213 221 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.236 221 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.236 221 G C -0.178 174.390 174.900 -0.555 0.000 0.991 221 G CA 0.112 44.710 45.100 -0.837 0.000 0.629 221 G HN 0.686 nan 8.290 nan 0.000 0.517 222 D N -0.169 120.013 120.400 -0.363 0.000 2.368 222 D HA 0.554 5.194 4.640 -0.000 0.000 0.240 222 D C 1.067 177.266 176.300 -0.169 0.000 1.169 222 D CA 0.158 54.010 54.000 -0.247 0.000 0.906 222 D CB 0.556 41.208 40.800 -0.247 0.000 1.187 222 D HN 0.321 nan 8.370 nan 0.000 0.435 223 R N 0.236 120.617 120.500 -0.199 0.000 2.570 223 R HA 0.460 4.800 4.340 -0.000 0.000 0.246 223 R C -1.692 174.324 176.300 -0.473 0.000 1.417 223 R CA -0.280 55.645 56.100 -0.292 0.000 1.525 223 R CB 0.244 30.346 30.300 -0.331 0.000 1.403 223 R HN 0.378 nan 8.270 nan 0.000 0.754 224 A N 1.079 123.763 122.820 -0.227 0.000 2.291 224 A HA 0.572 4.892 4.320 -0.000 0.000 0.311 224 A C -0.512 177.070 177.584 -0.004 0.000 1.224 224 A CA -0.359 51.585 52.037 -0.154 0.000 0.821 224 A CB 1.445 20.352 19.000 -0.154 0.000 1.172 224 A HN 0.226 nan 8.150 nan 0.000 0.494 225 T N 2.310 116.957 114.554 0.156 0.000 2.794 225 T HA 0.395 4.745 4.350 -0.000 0.000 0.280 225 T C -0.591 174.234 174.700 0.208 0.000 0.987 225 T CA 0.050 62.287 62.100 0.228 0.000 0.993 225 T CB 0.439 69.538 68.868 0.386 0.000 0.939 225 T HN 0.594 nan 8.240 nan 0.000 0.449 226 W N 2.571 123.931 121.300 0.099 0.000 2.272 226 W HA 0.542 5.202 4.660 -0.000 0.000 0.318 226 W C -0.454 176.079 176.519 0.024 0.000 1.255 226 W CA -0.554 56.858 57.345 0.110 0.000 1.200 226 W CB 0.455 29.934 29.460 0.032 0.000 1.170 226 W HN 0.520 nan 8.180 nan 0.000 0.549 227 F N 2.078 122.253 119.950 0.375 0.000 2.518 227 F HA 0.511 5.038 4.527 -0.000 0.000 0.323 227 F C 0.863 176.835 175.800 0.287 0.000 1.129 227 F CA -0.913 57.263 58.000 0.293 0.000 0.920 227 F CB 1.359 40.482 39.000 0.205 0.000 1.160 227 F HN 0.322 nan 8.300 nan 0.000 0.440 228 G N 3.292 112.360 108.800 0.446 0.000 2.448 228 G HA2 0.566 4.526 3.960 -0.000 0.000 0.285 228 G HA3 0.566 4.526 3.960 -0.000 0.000 0.285 228 G C -1.357 173.712 174.900 0.282 0.000 1.176 228 G CA -0.406 44.900 45.100 0.343 0.000 0.852 228 G HN 0.462 nan 8.290 nan 0.000 0.530 229 L N 0.665 121.881 121.223 -0.011 0.000 2.329 229 L HA 0.605 4.945 4.340 -0.000 0.000 0.279 229 L C -0.931 175.809 176.870 -0.216 0.000 1.014 229 L CA -0.509 54.330 54.840 -0.002 0.000 0.814 229 L CB 1.639 43.685 42.059 -0.022 0.000 1.257 229 L HN 0.573 nan 8.230 nan 0.000 0.424 230 Y N 0.914 121.269 120.300 0.093 0.000 2.562 230 Y HA 0.458 5.008 4.550 0.000 0.000 0.345 230 Y C -0.768 175.173 175.900 0.069 0.000 1.045 230 Y CA -1.114 57.036 58.100 0.083 0.000 1.028 230 Y CB 1.260 39.893 38.460 0.289 0.000 1.297 230 Y HN 0.243 nan 8.280 nan 0.000 0.463 231 Y N 1.045 121.495 120.300 0.250 0.000 2.578 231 Y HA -0.007 4.543 4.550 -0.000 0.000 0.339 231 Y C 0.855 176.778 175.900 0.038 0.000 1.231 231 Y CA -0.595 57.565 58.100 0.100 0.000 1.461 231 Y CB 0.326 38.823 38.460 0.062 0.000 1.323 231 Y HN 0.528 nan 8.280 nan 0.000 0.590 232 N N 2.992 121.776 118.700 0.139 0.000 3.324 232 N HA 0.137 4.877 4.740 -0.000 0.000 0.302 232 N C -0.940 174.563 175.510 -0.012 0.000 1.360 232 N CA -0.095 52.947 53.050 -0.013 0.000 1.190 232 N CB -0.557 37.890 38.487 -0.067 0.000 1.462 232 N HN 0.347 nan 8.380 nan 0.000 0.532 233 I N 0.592 121.173 120.570 0.019 0.000 2.752 233 I HA -0.069 4.101 4.170 -0.000 0.000 0.289 233 I C 0.791 176.907 176.117 -0.002 0.000 1.197 233 I CA 0.300 61.597 61.300 -0.005 0.000 1.432 233 I CB 0.126 38.088 38.000 -0.064 0.000 1.359 233 I HN 0.222 nan 8.210 nan 0.000 0.571 234 S N 4.330 120.029 115.700 -0.001 0.000 2.474 234 S HA 0.424 4.894 4.470 -0.000 0.000 0.276 234 S C 0.974 175.584 174.600 0.017 0.000 1.227 234 S CA 0.359 58.556 58.200 -0.005 0.000 1.050 234 S CB 0.783 63.972 63.200 -0.019 0.000 0.939 234 S HN 1.039 nan 8.310 nan 0.000 0.490 235 G N 2.557 111.366 108.800 0.015 0.000 2.153 235 G HA2 0.013 3.973 3.960 -0.000 0.000 0.252 235 G HA3 0.013 3.973 3.960 -0.000 0.000 0.252 235 G C 0.057 175.005 174.900 0.080 0.000 0.994 235 G CA 0.180 45.300 45.100 0.033 0.000 0.698 235 G HN 1.307 nan 8.290 nan 0.000 0.521 236 A N -1.678 121.188 122.820 0.077 0.000 2.566 236 A HA 0.892 5.212 4.320 -0.000 0.000 0.290 236 A C 0.425 177.974 177.584 -0.059 0.000 1.071 236 A CA 0.387 52.488 52.037 0.107 0.000 0.658 236 A CB 0.163 19.262 19.000 0.165 0.000 1.285 236 A HN 1.933 nan 8.150 nan 0.000 0.427 237 G N 0.200 108.798 108.800 -0.338 0.000 2.248 237 G HA2 0.372 4.332 3.960 -0.000 0.000 0.260 237 G HA3 0.372 4.332 3.960 -0.000 0.000 0.260 237 G C 0.528 175.081 174.900 -0.577 0.000 1.214 237 G CA 0.550 45.128 45.100 -0.870 0.000 0.979 237 G HN 1.527 nan 8.290 nan 0.000 0.454 238 F N 1.906 121.465 119.950 -0.652 0.000 2.502 238 F HA 0.120 4.647 4.527 -0.000 0.000 0.298 238 F C 1.556 177.096 175.800 -0.433 0.000 1.111 238 F CA -0.137 57.575 58.000 -0.480 0.000 1.445 238 F CB -0.524 38.165 39.000 -0.518 0.000 1.081 238 F HN 0.348 nan 8.300 nan 0.000 0.558 239 F N 1.020 120.423 119.950 -0.912 0.000 2.333 239 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 239 F C 1.847 177.539 175.800 -0.182 0.000 1.083 239 F CA 0.832 58.373 58.000 -0.764 0.000 1.395 239 F CB -0.801 37.742 39.000 -0.761 0.000 1.056 239 F HN 0.073 nan 8.300 nan 0.000 0.529 240 L N -0.834 120.382 121.223 -0.011 0.000 2.558 240 L HA 0.021 4.361 4.340 -0.000 0.000 0.225 240 L C 0.492 177.179 176.870 -0.305 0.000 1.128 240 L CA 0.392 55.147 54.840 -0.142 0.000 0.868 240 L CB -0.321 41.541 42.059 -0.329 0.000 1.006 240 L HN 0.228 nan 8.230 nan 0.000 0.454 241 H N -1.219 117.924 119.070 0.121 0.000 2.351 241 H HA 0.193 4.749 4.556 -0.000 0.000 0.232 241 H C -0.581 174.878 175.328 0.217 0.000 1.452 241 H CA -0.522 55.597 56.048 0.119 0.000 1.236 241 H CB 0.092 29.872 29.762 0.031 0.000 1.579 241 H HN 0.101 nan 8.280 nan 0.000 0.535 242 H N 1.652 120.828 119.070 0.176 0.000 2.848 242 H HA 0.028 4.584 4.556 -0.000 0.000 0.341 242 H C 1.205 176.436 175.328 -0.163 0.000 1.060 242 H CA -0.201 55.740 56.048 -0.177 0.000 1.444 242 H CB 1.079 30.766 29.762 -0.126 0.000 1.446 242 H HN 0.276 nan 8.280 nan 0.000 0.583 243 V N 1.724 121.221 119.914 -0.694 0.000 3.647 243 V HA 0.346 4.466 4.120 -0.000 0.000 0.279 243 V C 1.406 177.000 176.094 -0.832 0.000 1.314 243 V CA 0.746 62.666 62.300 -0.634 0.000 1.125 243 V CB -0.167 31.342 31.823 -0.524 0.000 0.907 243 V HN 1.045 nan 8.190 nan 0.000 0.434 244 G N 0.323 108.453 108.800 -1.116 0.000 2.176 244 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.232 244 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.232 244 G C -0.344 174.245 174.900 -0.518 0.000 0.986 244 G CA 0.165 44.673 45.100 -0.986 0.000 0.643 244 G HN 0.694 nan 8.290 nan 0.000 0.522 245 L N 1.377 122.378 121.223 -0.370 0.000 2.309 245 L HA 0.837 5.177 4.340 -0.000 0.000 0.282 245 L C -0.252 176.659 176.870 0.069 0.000 1.036 245 L CA -0.675 54.171 54.840 0.011 0.000 0.806 245 L CB 1.232 43.308 42.059 0.028 0.000 1.220 245 L HN 0.228 nan 8.230 nan 0.000 0.429 246 E N 5.722 126.074 120.200 0.254 0.000 2.290 246 E HA 0.470 4.820 4.350 -0.000 0.000 0.274 246 E C -1.582 175.326 176.600 0.514 0.000 0.889 246 E CA -0.564 56.063 56.400 0.379 0.000 0.760 246 E CB 2.144 32.017 29.700 0.287 0.000 1.206 246 E HN 0.495 nan 8.360 nan 0.000 0.419 247 L N 3.285 124.769 121.223 0.435 0.000 2.325 247 L HA 0.387 4.727 4.340 -0.000 0.000 0.281 247 L C -0.704 176.193 176.870 0.044 0.000 1.004 247 L CA -1.111 53.851 54.840 0.202 0.000 0.823 247 L CB 1.181 43.286 42.059 0.077 0.000 1.236 247 L HN 0.316 nan 8.230 nan 0.000 0.415 248 L N 5.301 126.196 121.223 -0.547 0.000 2.363 248 L HA 0.293 4.633 4.340 -0.000 0.000 0.286 248 L C -0.289 176.380 176.870 -0.335 0.000 1.106 248 L CA 0.165 54.476 54.840 -0.882 0.000 0.859 248 L CB 0.894 42.004 42.059 -1.581 0.000 1.223 248 L HN 0.285 nan 8.230 nan 0.000 0.446 249 V N 5.349 125.205 119.914 -0.097 0.000 2.432 249 V HA 0.271 4.391 4.120 -0.000 0.000 0.275 249 V C 0.264 176.344 176.094 -0.024 0.000 1.043 249 V CA -0.611 61.669 62.300 -0.033 0.000 0.925 249 V CB 1.290 33.111 31.823 -0.002 0.000 0.985 249 V HN 0.809 nan 8.190 nan 0.000 0.466 250 N N 3.903 122.556 118.700 -0.078 0.000 2.462 250 N HA 0.209 4.949 4.740 -0.000 0.000 0.242 250 N C 0.460 175.823 175.510 -0.246 0.000 1.010 250 N CA -0.404 52.565 53.050 -0.134 0.000 0.939 250 N CB 0.367 38.797 38.487 -0.095 0.000 1.127 250 N HN 0.783 nan 8.380 nan 0.000 0.509 251 H N 2.201 120.942 119.070 -0.548 0.000 2.512 251 H HA 0.184 4.740 4.556 -0.000 0.000 0.276 251 H C 0.994 176.040 175.328 -0.469 0.000 1.126 251 H CA -0.269 55.029 56.048 -1.250 0.000 1.060 251 H CB 0.157 28.799 29.762 -1.867 0.000 1.646 251 H HN 0.538 nan 8.280 nan 0.000 0.571 252 K N 1.831 122.055 120.400 -0.292 0.000 2.103 252 K HA -0.014 4.306 4.320 -0.000 0.000 0.207 252 K C 0.941 177.642 176.600 0.168 0.000 1.048 252 K CA 0.915 57.152 56.287 -0.084 0.000 0.930 252 K CB -0.048 32.398 32.500 -0.090 0.000 0.716 252 K HN 0.261 nan 8.250 nan 0.000 0.444 253 A N 0.566 123.575 122.820 0.315 0.000 2.507 253 A HA 0.167 4.487 4.320 -0.000 0.000 0.235 253 A C 0.741 178.555 177.584 0.384 0.000 1.070 253 A CA -0.137 52.102 52.037 0.336 0.000 0.768 253 A CB 0.100 19.303 19.000 0.339 0.000 1.011 253 A HN 0.386 nan 8.150 nan 0.000 0.502 254 L N 0.214 121.558 121.223 0.201 0.000 2.509 254 L HA 0.142 4.482 4.340 -0.000 0.000 0.222 254 L C 0.543 177.441 176.870 0.046 0.000 1.123 254 L CA 0.502 55.438 54.840 0.159 0.000 0.856 254 L CB -0.314 41.796 42.059 0.086 0.000 0.985 254 L HN 0.604 nan 8.230 nan 0.000 0.456 255 D N 0.427 120.812 120.400 -0.025 0.000 2.412 255 D HA 0.200 4.840 4.640 -0.000 0.000 0.224 255 D C -1.720 174.295 176.300 -0.475 0.000 1.093 255 D CA -2.303 51.595 54.000 -0.170 0.000 0.850 255 D CB 1.716 42.453 40.800 -0.105 0.000 1.046 255 D HN -0.173 nan 8.370 nan 0.000 0.507 256 P HA -0.150 nan 4.420 nan 0.000 0.218 256 P C 1.014 177.815 177.300 -0.832 0.000 1.146 256 P CA 1.070 63.198 63.100 -1.620 0.000 0.813 256 P CB 0.248 31.223 31.700 -1.207 0.000 0.778 257 A N -0.212 122.355 122.820 -0.423 0.000 1.940 257 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 257 A C 2.305 179.815 177.584 -0.124 0.000 1.176 257 A CA 1.414 53.327 52.037 -0.206 0.000 0.631 257 A CB -1.072 17.847 19.000 -0.135 0.000 0.814 257 A HN 0.070 nan 8.150 nan 0.000 0.446 258 R N -1.720 118.704 120.500 -0.126 0.000 2.307 258 R HA -0.054 4.286 4.340 -0.000 0.000 0.199 258 R C -0.447 175.949 176.300 0.160 0.000 1.000 258 R CA -0.319 55.788 56.100 0.012 0.000 1.023 258 R CB -0.017 30.299 30.300 0.026 0.000 0.908 258 R HN 0.593 nan 8.270 nan 0.000 0.473 259 W N 1.433 122.742 121.300 0.016 0.000 2.223 259 W HA 0.008 4.668 4.660 -0.000 0.000 0.334 259 W C 1.072 177.592 176.519 0.001 0.000 1.334 259 W CA -0.317 57.040 57.345 0.021 0.000 1.246 259 W CB 0.007 29.489 29.460 0.037 0.000 1.184 259 W HN -0.030 nan 8.180 nan 0.000 0.563 260 T N 0.739 115.413 114.554 0.200 0.000 2.870 260 T HA 0.757 5.107 4.350 -0.000 0.000 0.277 260 T C -0.515 174.209 174.700 0.040 0.000 1.000 260 T CA -0.858 61.296 62.100 0.089 0.000 0.982 260 T CB 1.499 70.397 68.868 0.050 0.000 1.249 260 T HN 0.231 nan 8.240 nan 0.000 0.589 261 I N 2.345 122.915 120.570 0.001 0.000 2.502 261 I HA 0.200 4.370 4.170 -0.000 0.000 0.276 261 I C 1.538 177.622 176.117 -0.055 0.000 1.057 261 I CA -0.551 60.725 61.300 -0.040 0.000 1.163 261 I CB 1.418 39.392 38.000 -0.042 0.000 1.288 261 I HN 0.839 nan 8.210 nan 0.000 0.479 262 Q N 3.210 122.955 119.800 -0.091 0.000 2.062 262 Q HA -0.137 4.203 4.340 -0.000 0.000 0.209 262 Q C 0.419 176.377 176.000 -0.071 0.000 0.996 262 Q CA 1.657 57.403 55.803 -0.095 0.000 0.859 262 Q CB 0.326 28.974 28.738 -0.150 0.000 0.920 262 Q HN 0.475 nan 8.270 nan 0.000 0.415 263 K N -1.116 119.208 120.400 -0.126 0.000 2.522 263 K HA 0.535 4.855 4.320 -0.000 0.000 0.275 263 K C -1.459 175.185 176.600 0.073 0.000 1.006 263 K CA -0.561 55.744 56.287 0.030 0.000 0.890 263 K CB 2.526 35.138 32.500 0.188 0.000 1.475 263 K HN -0.157 nan 8.250 nan 0.000 0.441 264 V N 1.156 121.242 119.914 0.286 0.000 2.962 264 V HA 0.588 4.708 4.120 -0.000 0.000 0.313 264 V C -1.468 174.923 176.094 0.494 0.000 1.099 264 V CA -0.883 61.605 62.300 0.314 0.000 0.971 264 V CB 2.193 34.089 31.823 0.121 0.000 1.028 264 V HN 0.739 nan 8.190 nan 0.000 0.430 265 F N 3.932 124.021 119.950 0.231 0.000 2.653 265 F HA 0.649 5.176 4.527 0.000 0.000 0.327 265 F C -1.951 173.871 175.800 0.036 0.000 1.195 265 F CA -0.506 57.520 58.000 0.044 0.000 0.993 265 F CB 1.412 40.298 39.000 -0.189 0.000 1.259 265 F HN 0.506 nan 8.300 nan 0.000 0.478 266 Y N 6.124 126.162 120.300 -0.437 0.000 2.326 266 Y HA 0.301 4.851 4.550 -0.000 0.000 0.329 266 Y C -0.129 175.369 175.900 -0.669 0.000 0.973 266 Y CA -0.816 57.020 58.100 -0.440 0.000 1.162 266 Y CB 1.339 39.547 38.460 -0.420 0.000 1.147 266 Y HN 0.750 nan 8.280 nan 0.000 0.456 267 Q N 4.270 123.478 119.800 -0.987 0.000 2.434 267 Q HA -0.274 4.066 4.340 -0.000 0.000 0.299 267 Q C 0.971 176.112 176.000 -1.431 0.000 1.286 267 Q CA 1.231 56.372 55.803 -1.103 0.000 0.872 267 Q CB -1.662 26.404 28.738 -1.120 0.000 1.193 267 Q HN 1.301 nan 8.270 nan 0.000 0.466 268 G N -0.776 107.253 108.800 -1.285 0.000 2.231 268 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.206 268 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.206 268 G C 0.006 174.585 174.900 -0.535 0.000 0.996 268 G CA -0.078 44.593 45.100 -0.716 0.000 0.645 268 G HN 0.201 nan 8.290 nan 0.000 0.498 269 R N -0.198 119.823 120.500 -0.798 0.000 2.562 269 R HA 0.597 4.937 4.340 -0.000 0.000 0.298 269 R C -1.024 174.998 176.300 -0.464 0.000 0.961 269 R CA -0.633 55.200 56.100 -0.445 0.000 0.881 269 R CB 1.301 31.412 30.300 -0.315 0.000 1.159 269 R HN 0.221 nan 8.270 nan 0.000 0.450 270 Y N 1.621 121.828 120.300 -0.155 0.000 2.352 270 Y HA 0.387 4.937 4.550 -0.000 0.000 0.326 270 Y C -0.109 175.772 175.900 -0.032 0.000 1.166 270 Y CA -0.269 57.894 58.100 0.104 0.000 1.182 270 Y CB 1.205 39.773 38.460 0.180 0.000 1.216 270 Y HN 0.433 nan 8.280 nan 0.000 0.474 271 Y N -0.387 120.037 120.300 0.207 0.000 2.615 271 Y HA 0.235 4.785 4.550 -0.000 0.000 0.341 271 Y C 0.182 176.154 175.900 0.119 0.000 1.089 271 Y CA -1.146 57.024 58.100 0.116 0.000 1.049 271 Y CB 1.578 40.066 38.460 0.047 0.000 1.296 271 Y HN 0.510 nan 8.280 nan 0.000 0.470 272 D N 0.165 120.704 120.400 0.232 0.000 2.327 272 D HA 0.048 4.688 4.640 -0.000 0.000 0.205 272 D C 0.068 176.425 176.300 0.095 0.000 0.989 272 D CA 0.885 54.968 54.000 0.139 0.000 0.873 272 D CB 0.554 41.409 40.800 0.092 0.000 0.955 272 D HN 0.424 nan 8.370 nan 0.000 0.515 273 S N -1.409 114.345 115.700 0.090 0.000 2.588 273 S HA 0.304 4.774 4.470 -0.000 0.000 0.269 273 S C 0.498 175.083 174.600 -0.026 0.000 1.157 273 S CA -0.755 57.459 58.200 0.024 0.000 0.824 273 S CB 0.799 64.005 63.200 0.010 0.000 1.126 273 S HN -0.069 nan 8.310 nan 0.000 0.464 274 L N 0.886 122.061 121.223 -0.079 0.000 2.275 274 L HA 0.016 4.356 4.340 -0.000 0.000 0.215 274 L C 2.835 179.621 176.870 -0.140 0.000 1.119 274 L CA 1.473 56.220 54.840 -0.156 0.000 0.790 274 L CB -0.879 41.081 42.059 -0.165 0.000 0.919 274 L HN 0.939 nan 8.230 nan 0.000 0.443 275 A N -0.536 122.236 122.820 -0.079 0.000 1.898 275 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 275 A C 2.271 179.837 177.584 -0.030 0.000 1.181 275 A CA 1.348 53.351 52.037 -0.057 0.000 0.620 275 A CB -0.396 18.584 19.000 -0.034 0.000 0.819 275 A HN 0.435 nan 8.150 nan 0.000 0.442 276 Q N -0.708 119.095 119.800 0.005 0.000 2.311 276 Q HA -0.065 4.275 4.340 -0.000 0.000 0.203 276 Q C 1.850 177.917 176.000 0.111 0.000 0.954 276 Q CA 1.172 57.014 55.803 0.066 0.000 0.885 276 Q CB -0.079 28.722 28.738 0.105 0.000 0.963 276 Q HN 0.569 nan 8.270 nan 0.000 0.471 277 L N 0.650 121.859 121.223 -0.023 0.000 2.109 277 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 277 L C 1.950 178.742 176.870 -0.129 0.000 1.086 277 L CA 1.797 56.489 54.840 -0.247 0.000 0.760 277 L CB -0.277 41.349 42.059 -0.722 0.000 0.910 277 L HN 0.117 nan 8.230 nan 0.000 0.437 278 E N -0.582 119.553 120.200 -0.108 0.000 2.285 278 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 278 E C 2.029 178.654 176.600 0.042 0.000 0.997 278 E CA 0.675 57.058 56.400 -0.029 0.000 0.845 278 E CB 0.129 29.784 29.700 -0.076 0.000 0.782 278 E HN 0.647 nan 8.360 nan 0.000 0.491 279 A N 1.227 124.060 122.820 0.022 0.000 1.858 279 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 279 A C 2.053 179.655 177.584 0.031 0.000 1.190 279 A CA 1.175 53.224 52.037 0.020 0.000 0.617 279 A CB -0.431 18.584 19.000 0.024 0.000 0.827 279 A HN 0.192 nan 8.150 nan 0.000 0.443 280 Q N -1.828 118.020 119.800 0.080 0.000 2.291 280 Q HA -0.136 4.204 4.340 -0.000 0.000 0.205 280 Q C 1.823 177.882 176.000 0.098 0.000 0.970 280 Q CA 1.288 57.150 55.803 0.098 0.000 0.876 280 Q CB -0.242 28.609 28.738 0.188 0.000 0.935 280 Q HN 0.788 nan 8.270 nan 0.000 0.455 281 F N 1.616 121.540 119.950 -0.044 0.000 2.118 281 F HA -0.079 4.448 4.527 0.000 0.000 0.293 281 F C 2.045 177.797 175.800 -0.081 0.000 1.102 281 F CA 1.426 59.374 58.000 -0.087 0.000 1.247 281 F CB -0.112 38.792 39.000 -0.160 0.000 1.017 281 F HN -0.070 nan 8.300 nan 0.000 0.475 282 E N 0.124 120.097 120.200 -0.377 0.000 2.208 282 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 282 E C 1.922 178.346 176.600 -0.294 0.000 0.988 282 E CA 0.696 56.806 56.400 -0.484 0.000 0.828 282 E CB -0.266 29.305 29.700 -0.215 0.000 0.763 282 E HN 0.422 nan 8.360 nan 0.000 0.478 283 A N 0.109 122.827 122.820 -0.170 0.000 2.264 283 A HA 0.108 4.428 4.320 -0.000 0.000 0.207 283 A C 1.681 179.194 177.584 -0.118 0.000 1.196 283 A CA 0.864 52.835 52.037 -0.110 0.000 0.778 283 A CB -1.064 17.905 19.000 -0.052 0.000 0.779 283 A HN 0.381 nan 8.150 nan 0.000 0.483 284 G N -1.515 107.167 108.800 -0.197 0.000 2.212 284 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.267 284 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.267 284 G C 0.535 175.398 174.900 -0.062 0.000 1.002 284 G CA 0.734 45.740 45.100 -0.158 0.000 0.729 284 G HN 0.582 nan 8.290 nan 0.000 0.517 285 L N -0.367 120.840 121.223 -0.027 0.000 2.628 285 L HA 0.358 4.698 4.340 -0.000 0.000 0.229 285 L C 0.383 177.293 176.870 0.067 0.000 1.137 285 L CA 0.052 54.904 54.840 0.020 0.000 0.909 285 L CB 0.830 42.901 42.059 0.020 0.000 1.137 285 L HN 0.120 nan 8.230 nan 0.000 0.470 286 V N -0.508 119.466 119.914 0.100 0.000 2.407 286 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 286 V C -0.118 176.062 176.094 0.145 0.000 1.018 286 V CA -0.844 61.550 62.300 0.156 0.000 0.842 286 V CB 1.599 33.564 31.823 0.237 0.000 0.996 286 V HN 0.168 nan 8.190 nan 0.000 0.426 287 N N 3.536 122.314 118.700 0.130 0.000 2.406 287 N HA 0.291 5.031 4.740 -0.000 0.000 0.265 287 N C -0.697 174.904 175.510 0.152 0.000 1.203 287 N CA -0.208 52.922 53.050 0.134 0.000 0.945 287 N CB 0.670 39.239 38.487 0.137 0.000 1.165 287 N HN 0.482 nan 8.380 nan 0.000 0.485 288 V N 3.913 123.919 119.914 0.154 0.000 2.483 288 V HA 0.294 4.414 4.120 -0.000 0.000 0.295 288 V C 0.052 176.266 176.094 0.200 0.000 1.035 288 V CA -0.767 61.633 62.300 0.167 0.000 0.896 288 V CB 1.809 33.702 31.823 0.117 0.000 0.986 288 V HN 0.281 nan 8.190 nan 0.000 0.447 289 V N 5.893 125.908 119.914 0.169 0.000 2.370 289 V HA 0.362 4.482 4.120 -0.000 0.000 0.279 289 V C 0.067 176.266 176.094 0.174 0.000 1.029 289 V CA -0.577 61.843 62.300 0.200 0.000 0.870 289 V CB 1.456 33.426 31.823 0.246 0.000 0.984 289 V HN 0.607 nan 8.190 nan 0.000 0.451 290 L N 6.491 127.837 121.223 0.205 0.000 2.407 290 L HA 0.386 4.726 4.340 -0.000 0.000 0.282 290 L C -0.256 176.717 176.870 0.171 0.000 1.110 290 L CA 0.177 55.140 54.840 0.206 0.000 0.863 290 L CB -0.019 42.151 42.059 0.186 0.000 1.207 290 L HN 0.507 nan 8.230 nan 0.000 0.454 291 I N 5.361 126.041 120.570 0.183 0.000 2.304 291 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 291 I C -1.912 174.441 176.117 0.392 0.000 1.018 291 I CA -2.049 59.323 61.300 0.120 0.000 1.260 291 I CB 1.018 39.041 38.000 0.039 0.000 1.390 291 I HN 0.322 nan 8.210 nan 0.000 0.475 292 P HA -0.034 nan 4.420 nan 0.000 0.270 292 P C -0.203 177.280 177.300 0.304 0.000 1.221 292 P CA 0.319 63.587 63.100 0.279 0.000 0.788 292 P CB 0.928 32.792 31.700 0.273 0.000 0.904 293 D N -1.096 119.196 120.400 -0.180 0.000 2.409 293 D HA 0.033 4.673 4.640 -0.000 0.000 0.301 293 D C 0.169 176.212 176.300 -0.429 0.000 1.095 293 D CA 0.403 54.006 54.000 -0.661 0.000 0.929 293 D CB 0.115 39.920 40.800 -1.659 0.000 1.623 293 D HN 0.108 nan 8.370 nan 0.000 0.506 294 N N -0.649 117.701 118.700 -0.585 0.000 2.518 294 N HA 0.730 5.470 4.740 -0.000 0.000 0.284 294 N C -0.200 174.380 175.510 -1.550 0.000 1.230 294 N CA 0.216 52.769 53.050 -0.828 0.000 0.941 294 N CB 1.799 40.011 38.487 -0.459 0.000 1.219 294 N HN 0.289 nan 8.380 nan 0.000 0.560 295 G N -1.572 106.245 108.800 -1.638 0.000 2.349 295 G HA2 0.383 4.343 3.960 -0.000 0.000 0.294 295 G HA3 0.383 4.343 3.960 -0.000 0.000 0.294 295 G C -1.617 172.789 174.900 -0.823 0.000 1.380 295 G CA -0.442 43.681 45.100 -1.628 0.000 0.811 295 G HN 0.615 nan 8.290 nan 0.000 0.519 296 T N -2.811 111.563 114.554 -0.299 0.000 2.893 296 T HA 0.734 5.084 4.350 -0.000 0.000 0.293 296 T C 0.432 175.266 174.700 0.223 0.000 1.027 296 T CA 0.559 62.675 62.100 0.026 0.000 0.988 296 T CB 1.505 70.369 68.868 -0.007 0.000 1.043 296 T HN 2.674 nan 8.240 nan 0.000 0.461 297 G N 0.590 109.529 108.800 0.230 0.000 3.273 297 G HA2 0.335 4.295 3.960 -0.000 0.000 0.325 297 G HA3 0.335 4.295 3.960 -0.000 0.000 0.325 297 G C 0.993 176.037 174.900 0.241 0.000 0.960 297 G CA 0.470 45.692 45.100 0.203 0.000 0.808 297 G HN 2.492 nan 8.290 nan 0.000 0.387 298 G N 1.426 110.356 108.800 0.216 0.000 3.757 298 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 298 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 298 G C 1.926 176.934 174.900 0.180 0.000 1.411 298 G CA 1.163 46.365 45.100 0.169 0.000 0.896 298 G HN 2.044 nan 8.290 nan 0.000 0.581 299 S N 0.014 115.811 115.700 0.162 0.000 2.474 299 S HA 0.025 4.495 4.470 -0.000 0.000 0.235 299 S C 1.549 176.041 174.600 -0.180 0.000 0.997 299 S CA 1.935 60.108 58.200 -0.046 0.000 0.949 299 S CB -0.270 62.852 63.200 -0.132 0.000 0.766 299 S HN 0.709 nan 8.310 nan 0.000 0.517 300 W N 0.184 121.635 121.300 0.250 0.000 2.942 300 W HA 0.481 5.141 4.660 -0.000 0.000 0.260 300 W C 1.034 177.639 176.519 0.143 0.000 1.101 300 W CA -0.374 57.094 57.345 0.205 0.000 1.436 300 W CB -0.146 29.396 29.460 0.137 0.000 0.883 300 W HN -0.021 nan 8.180 nan 0.000 0.646 301 S N 0.177 116.074 115.700 0.327 0.000 2.704 301 S HA 0.562 5.032 4.470 -0.000 0.000 0.305 301 S C 0.259 174.981 174.600 0.204 0.000 1.107 301 S CA -0.487 57.848 58.200 0.225 0.000 0.993 301 S CB 1.181 64.486 63.200 0.174 0.000 1.110 301 S HN 0.055 nan 8.310 nan 0.000 0.534 302 L N 0.946 122.266 121.223 0.162 0.000 2.717 302 L HA 0.404 4.744 4.340 -0.000 0.000 0.239 302 L C 0.725 177.640 176.870 0.076 0.000 1.086 302 L CA 0.109 55.020 54.840 0.120 0.000 0.897 302 L CB 0.121 42.256 42.059 0.126 0.000 1.214 302 L HN 0.504 nan 8.230 nan 0.000 0.508 303 K N 1.425 121.869 120.400 0.074 0.000 2.383 303 K HA 0.065 4.385 4.320 -0.000 0.000 0.286 303 K C 0.242 176.866 176.600 0.041 0.000 1.051 303 K CA -0.003 56.312 56.287 0.047 0.000 0.974 303 K CB 0.843 33.368 32.500 0.041 0.000 0.968 303 K HN -0.098 nan 8.250 nan 0.000 0.475 304 S N 4.575 120.290 115.700 0.024 0.000 2.549 304 S HA 0.164 4.634 4.470 -0.000 0.000 0.279 304 S C -1.519 173.090 174.600 0.016 0.000 1.321 304 S CA -1.349 56.862 58.200 0.019 0.000 1.054 304 S CB 0.691 63.894 63.200 0.005 0.000 0.899 304 S HN 0.556 nan 8.310 nan 0.000 0.497 305 P HA 0.114 nan 4.420 nan 0.000 0.236 305 P C -0.299 177.003 177.300 0.004 0.000 1.177 305 P CA 0.140 63.248 63.100 0.013 0.000 0.773 305 P CB -0.056 31.655 31.700 0.018 0.000 0.878 306 V N 2.441 122.357 119.914 0.002 0.000 2.583 306 V HA 0.226 4.346 4.120 -0.000 0.000 0.287 306 V C -1.982 174.106 176.094 -0.009 0.000 1.051 306 V CA -1.506 60.792 62.300 -0.004 0.000 1.010 306 V CB 0.272 32.092 31.823 -0.005 0.000 0.988 306 V HN 0.036 nan 8.190 nan 0.000 0.478 307 P HA 0.394 nan 4.420 nan 0.000 0.282 307 P C -2.615 174.673 177.300 -0.021 0.000 1.249 307 P CA -1.592 61.499 63.100 -0.016 0.000 0.806 307 P CB -0.336 31.355 31.700 -0.015 0.000 0.984 308 P HA 0.174 nan 4.420 nan 0.000 0.264 308 P C 0.405 177.688 177.300 -0.029 0.000 1.183 308 P CA 0.385 63.466 63.100 -0.032 0.000 0.763 308 P CB 0.262 31.938 31.700 -0.041 0.000 0.807 309 G N 2.786 111.569 108.800 -0.028 0.000 2.795 309 G HA2 0.598 4.558 3.960 -0.000 0.000 0.267 309 G HA3 0.598 4.558 3.960 -0.000 0.000 0.267 309 G C -2.352 172.531 174.900 -0.028 0.000 1.362 309 G CA -1.050 44.035 45.100 -0.025 0.000 1.048 309 G HN 0.398 nan 8.290 nan 0.000 0.547 310 P HA 0.351 nan 4.420 nan 0.000 0.269 310 P C -0.206 177.076 177.300 -0.029 0.000 1.211 310 P CA -0.089 62.995 63.100 -0.026 0.000 0.781 310 P CB 0.420 32.107 31.700 -0.021 0.000 0.877 311 A N 2.576 125.376 122.820 -0.033 0.000 2.340 311 A HA 0.557 4.877 4.320 -0.000 0.000 0.268 311 A C -1.826 175.740 177.584 -0.029 0.000 1.100 311 A CA -0.963 51.050 52.037 -0.039 0.000 0.803 311 A CB -1.152 17.818 19.000 -0.049 0.000 1.043 311 A HN 0.465 nan 8.150 nan 0.000 0.488 312 P HA 0.449 nan 4.420 nan 0.000 0.274 312 P C -2.567 174.726 177.300 -0.011 0.000 1.246 312 P CA -1.177 61.912 63.100 -0.019 0.000 0.795 312 P CB -0.686 31.002 31.700 -0.020 0.000 1.006 313 P HA 0.103 nan 4.420 nan 0.000 0.264 313 P C -0.814 176.500 177.300 0.022 0.000 1.183 313 P CA 0.151 63.261 63.100 0.017 0.000 0.763 313 P CB 0.122 31.835 31.700 0.020 0.000 0.807 314 L N 2.012 123.260 121.223 0.042 0.000 2.362 314 L HA 0.521 4.861 4.340 -0.000 0.000 0.271 314 L C -0.685 176.252 176.870 0.112 0.000 1.002 314 L CA -0.541 54.335 54.840 0.060 0.000 0.818 314 L CB 2.199 44.281 42.059 0.039 0.000 1.298 314 L HN 0.285 nan 8.230 nan 0.000 0.420 315 Q N 3.393 123.246 119.800 0.089 0.000 2.333 315 Q HA 0.603 4.943 4.340 -0.000 0.000 0.267 315 Q C -1.673 174.339 176.000 0.021 0.000 1.012 315 Q CA -0.728 55.107 55.803 0.054 0.000 0.824 315 Q CB 1.661 30.402 28.738 0.005 0.000 1.290 315 Q HN 0.658 nan 8.270 nan 0.000 0.449 316 F N 0.387 120.221 119.950 -0.194 0.000 2.650 316 F HA 0.594 5.120 4.527 -0.000 0.000 0.320 316 F C -1.860 173.761 175.800 -0.300 0.000 1.091 316 F CA -1.257 56.542 58.000 -0.336 0.000 0.962 316 F CB 1.019 39.938 39.000 -0.135 0.000 1.363 316 F HN 0.315 nan 8.300 nan 0.000 0.482 317 Y N 1.409 121.772 120.300 0.106 0.000 2.504 317 Y HA 0.432 4.982 4.550 -0.000 0.000 0.339 317 Y C -2.042 173.896 175.900 0.063 0.000 0.974 317 Y CA -2.874 55.223 58.100 -0.005 0.000 1.232 317 Y CB 0.417 38.928 38.460 0.085 0.000 1.108 317 Y HN 0.396 nan 8.280 nan 0.000 0.509 318 P HA -0.200 nan 4.420 nan 0.000 0.217 318 P C -0.132 177.294 177.300 0.211 0.000 1.151 318 P CA 1.704 64.914 63.100 0.183 0.000 0.849 318 P CB 0.255 31.982 31.700 0.046 0.000 0.787 319 Q N -1.222 118.675 119.800 0.161 0.000 3.048 319 Q HA 0.520 4.860 4.340 -0.000 0.000 0.337 319 Q C 0.113 176.182 176.000 0.114 0.000 0.845 319 Q CA -0.399 55.480 55.803 0.127 0.000 0.942 319 Q CB 0.527 29.317 28.738 0.087 0.000 1.454 319 Q HN 0.089 nan 8.270 nan 0.000 0.392 320 G N 1.842 110.735 108.800 0.156 0.000 2.746 320 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.685 320 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.685 320 G C -3.025 171.925 174.900 0.083 0.000 1.350 320 G CA -0.994 44.175 45.100 0.115 0.000 0.837 320 G HN 0.340 nan 8.290 nan 0.000 0.564 321 P HA 0.513 nan 4.420 nan 0.000 0.276 321 P C 0.238 177.378 177.300 -0.268 0.000 1.252 321 P CA -0.422 62.469 63.100 -0.349 0.000 0.802 321 P CB 0.551 31.957 31.700 -0.489 0.000 1.035 322 R N 0.608 120.966 120.500 -0.237 0.000 2.662 322 R HA 0.349 4.689 4.340 -0.000 0.000 0.396 322 R C -0.507 175.842 176.300 0.082 0.000 1.096 322 R CA -0.102 55.966 56.100 -0.053 0.000 1.081 322 R CB -0.197 30.098 30.300 -0.010 0.000 1.382 322 R HN 0.541 nan 8.270 nan 0.000 0.580 323 F N -1.715 118.142 119.950 -0.156 0.000 2.713 323 F HA 0.653 5.180 4.527 0.000 0.000 0.311 323 F C -1.145 174.587 175.800 -0.112 0.000 1.141 323 F CA -1.203 56.719 58.000 -0.131 0.000 0.939 323 F CB 1.239 40.153 39.000 -0.145 0.000 1.325 323 F HN -0.151 nan 8.300 nan 0.000 0.453 324 S N 0.614 116.275 115.700 -0.065 0.000 2.541 324 S HA 0.805 5.275 4.470 -0.000 0.000 0.280 324 S C -1.689 172.912 174.600 0.002 0.000 1.112 324 S CA -0.834 57.285 58.200 -0.135 0.000 0.925 324 S CB 1.588 64.722 63.200 -0.110 0.000 1.067 324 S HN 0.797 nan 8.310 nan 0.000 0.479 325 V N 2.641 122.562 119.914 0.012 0.000 2.347 325 V HA 0.560 4.680 4.120 -0.000 0.000 0.280 325 V C -0.641 175.482 176.094 0.049 0.000 1.021 325 V CA -0.307 62.039 62.300 0.077 0.000 0.847 325 V CB 1.162 33.074 31.823 0.148 0.000 0.990 325 V HN 0.887 nan 8.190 nan 0.000 0.444 326 Q N 3.596 123.417 119.800 0.036 0.000 2.454 326 Q HA 0.600 4.940 4.340 -0.000 0.000 0.255 326 Q C 0.492 176.501 176.000 0.015 0.000 1.034 326 Q CA 0.599 56.414 55.803 0.020 0.000 0.736 326 Q CB 0.993 29.729 28.738 -0.003 0.000 1.210 326 Q HN 1.052 nan 8.270 nan 0.000 0.500 327 G N 2.596 111.410 108.800 0.023 0.000 2.557 327 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.292 327 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.292 327 G C 0.542 175.378 174.900 -0.108 0.000 1.162 327 G CA 0.598 45.686 45.100 -0.020 0.000 0.964 327 G HN 1.093 nan 8.290 nan 0.000 0.541 328 S N 0.006 115.594 115.700 -0.186 0.000 2.577 328 S HA 0.467 4.937 4.470 -0.000 0.000 0.219 328 S C 0.761 175.235 174.600 -0.210 0.000 0.962 328 S CA 1.101 59.028 58.200 -0.455 0.000 0.921 328 S CB 0.374 63.381 63.200 -0.322 0.000 0.789 328 S HN 0.846 nan 8.310 nan 0.000 0.497 329 R N 0.966 121.459 120.500 -0.013 0.000 2.439 329 R HA 0.634 4.974 4.340 -0.000 0.000 0.310 329 R C -1.642 174.631 176.300 -0.045 0.000 0.955 329 R CA -0.378 55.724 56.100 0.003 0.000 0.853 329 R CB 1.518 31.813 30.300 -0.009 0.000 1.171 329 R HN 0.146 nan 8.270 nan 0.000 0.449 330 V N 3.288 123.025 119.914 -0.296 0.000 2.547 330 V HA 0.854 4.974 4.120 -0.000 0.000 0.299 330 V C -0.403 175.381 176.094 -0.518 0.000 1.040 330 V CA -0.512 61.491 62.300 -0.496 0.000 0.913 330 V CB 1.633 32.812 31.823 -1.072 0.000 0.992 330 V HN 0.944 nan 8.190 nan 0.000 0.449 331 A N 3.439 126.111 122.820 -0.247 0.000 2.455 331 A HA 0.923 5.243 4.320 -0.000 0.000 0.300 331 A C -0.424 177.139 177.584 -0.035 0.000 1.040 331 A CA -0.093 51.861 52.037 -0.138 0.000 0.697 331 A CB 2.056 21.005 19.000 -0.084 0.000 1.265 331 A HN 1.174 nan 8.150 nan 0.000 0.407 332 S N 0.362 116.057 115.700 -0.008 0.000 2.671 332 S HA 0.595 5.065 4.470 -0.000 0.000 0.277 332 S C 1.112 175.716 174.600 0.007 0.000 1.165 332 S CA 0.426 58.653 58.200 0.045 0.000 0.822 332 S CB 0.988 64.251 63.200 0.105 0.000 1.150 332 S HN 1.911 nan 8.310 nan 0.000 0.479 333 S N 0.202 115.905 115.700 0.005 0.000 2.399 333 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 333 S C 1.416 175.946 174.600 -0.115 0.000 1.063 333 S CA 1.964 60.139 58.200 -0.041 0.000 1.070 333 S CB -0.832 62.357 63.200 -0.018 0.000 0.904 333 S HN 0.634 nan 8.310 nan 0.000 0.456 334 L N -2.330 118.831 121.223 -0.103 0.000 2.467 334 L HA 0.361 4.701 4.340 -0.000 0.000 0.213 334 L C 0.067 176.667 176.870 -0.450 0.000 1.053 334 L CA -0.077 54.542 54.840 -0.369 0.000 0.847 334 L CB 0.136 42.044 42.059 -0.252 0.000 1.075 334 L HN 0.340 nan 8.230 nan 0.000 0.479 335 W N -0.719 120.550 121.300 -0.052 0.000 2.702 335 W HA 0.468 5.128 4.660 -0.000 0.000 0.331 335 W C -0.152 176.301 176.519 -0.111 0.000 1.049 335 W CA -0.401 56.934 57.345 -0.017 0.000 1.230 335 W CB 1.877 31.316 29.460 -0.036 0.000 1.408 335 W HN -0.402 nan 8.180 nan 0.000 0.492 336 T N 4.180 118.859 114.554 0.208 0.000 2.881 336 T HA 0.724 5.074 4.350 -0.000 0.000 0.290 336 T C -1.453 173.338 174.700 0.152 0.000 1.000 336 T CA -0.405 61.714 62.100 0.031 0.000 0.978 336 T CB 0.310 69.186 68.868 0.013 0.000 0.997 336 T HN 0.297 nan 8.240 nan 0.000 0.443 337 F N 0.894 120.840 119.950 -0.006 0.000 2.719 337 F HA 0.788 5.315 4.527 0.000 0.000 0.309 337 F C -0.909 174.932 175.800 0.067 0.000 1.138 337 F CA -1.117 56.883 58.000 0.000 0.000 0.943 337 F CB 0.902 39.831 39.000 -0.118 0.000 1.304 337 F HN 0.404 nan 8.300 nan 0.000 0.445 338 S N 1.371 117.309 115.700 0.395 0.000 2.638 338 S HA 0.908 5.378 4.470 -0.000 0.000 0.298 338 S C -1.174 173.721 174.600 0.492 0.000 1.111 338 S CA -0.447 57.959 58.200 0.343 0.000 1.027 338 S CB 1.026 64.393 63.200 0.279 0.000 1.064 338 S HN 1.066 nan 8.310 nan 0.000 0.525 339 F N 0.058 120.135 119.950 0.211 0.000 2.668 339 F HA 0.905 5.432 4.527 -0.000 0.000 0.309 339 F C -0.285 175.548 175.800 0.055 0.000 1.117 339 F CA -0.363 57.712 58.000 0.125 0.000 0.951 339 F CB 1.040 40.089 39.000 0.081 0.000 1.323 339 F HN 0.839 nan 8.300 nan 0.000 0.451 340 G N 1.234 110.147 108.800 0.189 0.000 2.506 340 G HA2 0.537 4.497 3.960 -0.000 0.000 0.292 340 G HA3 0.537 4.497 3.960 -0.000 0.000 0.292 340 G C -2.698 172.448 174.900 0.411 0.000 1.425 340 G CA -1.076 44.167 45.100 0.238 0.000 0.788 340 G HN 0.866 nan 8.290 nan 0.000 0.490 341 L N 1.005 122.469 121.223 0.401 0.000 2.325 341 L HA 0.611 4.951 4.340 -0.000 0.000 0.281 341 L C 1.054 178.026 176.870 0.169 0.000 1.004 341 L CA -0.805 54.069 54.840 0.056 0.000 0.823 341 L CB 1.894 43.575 42.059 -0.630 0.000 1.236 341 L HN 0.788 nan 8.230 nan 0.000 0.415 342 G N 1.276 110.126 108.800 0.084 0.000 2.544 342 G HA2 0.342 4.302 3.960 -0.000 0.000 0.242 342 G HA3 0.342 4.302 3.960 -0.000 0.000 0.242 342 G C 0.845 175.729 174.900 -0.027 0.000 1.247 342 G CA 0.257 45.415 45.100 0.096 0.000 0.840 342 G HN 0.842 nan 8.290 nan 0.000 0.578 343 A N 0.991 123.755 122.820 -0.092 0.000 1.968 343 A HA 0.209 4.529 4.320 -0.000 0.000 0.217 343 A C 1.642 178.840 177.584 -0.643 0.000 1.169 343 A CA 1.197 52.984 52.037 -0.416 0.000 0.638 343 A CB -0.147 18.376 19.000 -0.795 0.000 0.812 343 A HN 0.562 nan 8.150 nan 0.000 0.446 344 F N -1.234 118.765 119.950 0.082 0.000 2.549 344 F HA 0.090 4.617 4.527 -0.000 0.000 0.275 344 F C 2.696 178.482 175.800 -0.023 0.000 0.990 344 F CA 0.617 58.651 58.000 0.057 0.000 1.274 344 F CB -0.663 38.375 39.000 0.065 0.000 1.064 344 F HN 0.185 nan 8.300 nan 0.000 0.715 345 S N 0.158 115.928 115.700 0.117 0.000 2.370 345 S HA 0.161 4.631 4.470 -0.000 0.000 0.226 345 S C 1.557 176.022 174.600 -0.225 0.000 1.033 345 S CA 1.403 59.573 58.200 -0.050 0.000 1.011 345 S CB -0.935 62.263 63.200 -0.003 0.000 0.852 345 S HN 0.798 nan 8.310 nan 0.000 0.457 346 G N 0.649 109.323 108.800 -0.211 0.000 2.542 346 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.235 346 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.235 346 G C -2.868 171.849 174.900 -0.304 0.000 1.286 346 G CA -0.503 44.393 45.100 -0.341 0.000 0.904 346 G HN 0.552 nan 8.290 nan 0.000 0.577 347 P HA 0.319 nan 4.420 nan 0.000 0.267 347 P C 0.035 177.238 177.300 -0.162 0.000 1.195 347 P CA 1.043 64.028 63.100 -0.192 0.000 0.773 347 P CB 0.211 31.768 31.700 -0.239 0.000 0.837 348 R N 1.515 121.978 120.500 -0.060 0.000 2.644 348 R HA 0.641 4.981 4.340 -0.000 0.000 0.257 348 R C -1.438 174.779 176.300 -0.139 0.000 1.082 348 R CA -0.904 55.091 56.100 -0.175 0.000 0.927 348 R CB 0.532 30.734 30.300 -0.163 0.000 1.258 348 R HN 0.388 nan 8.270 nan 0.000 0.459 349 I N -1.075 119.271 120.570 -0.373 0.000 2.689 349 I HA 0.737 4.907 4.170 -0.000 0.000 0.299 349 I C -1.272 174.468 176.117 -0.629 0.000 1.059 349 I CA -1.134 60.015 61.300 -0.252 0.000 1.055 349 I CB 1.889 39.760 38.000 -0.215 0.000 1.243 349 I HN 0.464 nan 8.210 nan 0.000 0.425 350 F N 1.167 120.948 119.950 -0.283 0.000 2.603 350 F HA 0.434 4.961 4.527 0.000 0.000 0.317 350 F C 0.152 175.716 175.800 -0.392 0.000 1.066 350 F CA -0.525 57.094 58.000 -0.634 0.000 0.941 350 F CB 1.444 39.525 39.000 -1.531 0.000 1.291 350 F HN 0.712 nan 8.300 nan 0.000 0.472 351 D N 0.876 121.154 120.400 -0.204 0.000 2.699 351 D HA -0.145 4.495 4.640 -0.000 0.000 0.239 351 D C -1.042 175.335 176.300 0.129 0.000 1.136 351 D CA 0.266 54.270 54.000 0.008 0.000 0.668 351 D CB -0.705 40.153 40.800 0.097 0.000 1.060 351 D HN 0.184 nan 8.370 nan 0.000 0.429 352 V N 1.592 121.585 119.914 0.132 0.000 2.470 352 V HA 0.305 4.425 4.120 -0.000 0.000 0.276 352 V C 1.056 177.322 176.094 0.287 0.000 1.040 352 V CA 0.405 62.862 62.300 0.261 0.000 1.008 352 V CB 1.155 33.133 31.823 0.258 0.000 0.990 352 V HN 0.149 nan 8.190 nan 0.000 0.477 353 R N 4.425 125.119 120.500 0.324 0.000 2.483 353 R HA 0.418 4.758 4.340 -0.000 0.000 0.303 353 R C -1.188 175.218 176.300 0.176 0.000 0.987 353 R CA -0.564 55.674 56.100 0.230 0.000 0.881 353 R CB 1.980 32.367 30.300 0.146 0.000 1.177 353 R HN 0.596 nan 8.270 nan 0.000 0.451 354 F N 3.021 122.917 119.950 -0.090 0.000 2.411 354 F HA 0.100 4.627 4.527 0.000 0.000 0.355 354 F C 0.633 176.341 175.800 -0.153 0.000 1.117 354 F CA 0.041 57.792 58.000 -0.415 0.000 1.139 354 F CB 0.817 39.525 39.000 -0.486 0.000 1.120 354 F HN 0.625 nan 8.300 nan 0.000 0.493 355 Q N 4.666 123.994 119.800 -0.787 0.000 2.435 355 Q HA -0.245 4.095 4.340 -0.000 0.000 0.312 355 Q C 1.132 177.027 176.000 -0.176 0.000 1.333 355 Q CA 0.988 56.485 55.803 -0.510 0.000 0.883 355 Q CB -1.343 27.056 28.738 -0.565 0.000 1.170 355 Q HN 1.318 nan 8.270 nan 0.000 0.443 356 G N -0.451 108.285 108.800 -0.106 0.000 2.234 356 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.260 356 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.260 356 G C -0.074 174.860 174.900 0.057 0.000 0.987 356 G CA 0.490 45.580 45.100 -0.016 0.000 0.625 356 G HN 0.511 nan 8.290 nan 0.000 0.532 357 E N 0.275 120.544 120.200 0.116 0.000 2.179 357 E HA 0.561 4.911 4.350 -0.000 0.000 0.275 357 E C 0.412 177.138 176.600 0.210 0.000 0.945 357 E CA -1.057 55.455 56.400 0.186 0.000 0.792 357 E CB 0.722 30.586 29.700 0.273 0.000 1.125 357 E HN 0.356 nan 8.360 nan 0.000 0.397 358 R N 4.400 125.014 120.500 0.190 0.000 2.389 358 R HA 0.139 4.479 4.340 -0.000 0.000 0.295 358 R C 0.364 176.749 176.300 0.142 0.000 1.075 358 R CA 0.087 56.291 56.100 0.172 0.000 1.005 358 R CB 0.454 30.855 30.300 0.169 0.000 0.987 358 R HN 0.677 nan 8.270 nan 0.000 0.452 359 L N 4.298 125.558 121.223 0.063 0.000 2.349 359 L HA 0.216 4.556 4.340 -0.000 0.000 0.200 359 L C 0.148 176.958 176.870 -0.099 0.000 1.064 359 L CA -0.033 54.721 54.840 -0.143 0.000 0.821 359 L CB 0.268 42.099 42.059 -0.380 0.000 1.027 359 L HN 0.458 nan 8.230 nan 0.000 0.476 360 V N -4.189 115.711 119.914 -0.023 0.000 2.588 360 V HA 0.269 4.389 4.120 -0.000 0.000 0.304 360 V C 0.420 176.539 176.094 0.042 0.000 1.042 360 V CA -0.861 61.430 62.300 -0.015 0.000 0.877 360 V CB 1.346 33.119 31.823 -0.082 0.000 0.996 360 V HN 0.209 nan 8.190 nan 0.000 0.425 361 Y N 3.041 123.327 120.300 -0.024 0.000 2.220 361 Y HA 0.238 4.788 4.550 -0.000 0.000 0.291 361 Y C 1.070 176.938 175.900 -0.054 0.000 1.129 361 Y CA 1.985 60.093 58.100 0.012 0.000 1.161 361 Y CB 0.438 38.931 38.460 0.054 0.000 0.997 361 Y HN 0.860 nan 8.280 nan 0.000 0.522 362 E N 0.281 120.397 120.200 -0.140 0.000 2.321 362 E HA 0.435 4.785 4.350 -0.000 0.000 0.278 362 E C -1.823 174.550 176.600 -0.379 0.000 0.902 362 E CA -0.598 55.523 56.400 -0.464 0.000 0.758 362 E CB 1.463 31.014 29.700 -0.249 0.000 1.213 362 E HN 0.171 nan 8.360 nan 0.000 0.426 363 I N 2.953 123.232 120.570 -0.485 0.000 2.499 363 I HA 0.396 4.566 4.170 -0.000 0.000 0.288 363 I C -0.993 174.907 176.117 -0.362 0.000 1.048 363 I CA -0.777 60.327 61.300 -0.326 0.000 1.062 363 I CB 2.007 39.858 38.000 -0.248 0.000 1.238 363 I HN 0.517 nan 8.210 nan 0.000 0.426 364 S N 5.667 121.219 115.700 -0.246 0.000 2.603 364 S HA 0.462 4.932 4.470 -0.000 0.000 0.274 364 S C -0.918 173.555 174.600 -0.212 0.000 1.168 364 S CA -0.791 57.266 58.200 -0.238 0.000 0.963 364 S CB 1.853 64.912 63.200 -0.235 0.000 1.078 364 S HN 0.506 nan 8.310 nan 0.000 0.477 365 L N 2.590 123.618 121.223 -0.325 0.000 2.543 365 L HA 0.236 4.576 4.340 -0.000 0.000 0.285 365 L C 0.985 177.560 176.870 -0.492 0.000 1.236 365 L CA 1.179 55.629 54.840 -0.650 0.000 0.871 365 L CB 0.144 41.617 42.059 -0.976 0.000 1.121 365 L HN 0.868 nan 8.230 nan 0.000 0.501 366 Q N 1.986 121.449 119.800 -0.562 0.000 2.471 366 Q HA 0.288 4.628 4.340 -0.000 0.000 0.259 366 Q C -0.276 175.487 176.000 -0.396 0.000 0.850 366 Q CA 0.229 55.818 55.803 -0.356 0.000 0.981 366 Q CB 1.009 29.594 28.738 -0.256 0.000 1.180 366 Q HN 0.709 nan 8.270 nan 0.000 0.571 367 E N -0.866 118.977 120.200 -0.594 0.000 2.388 367 E HA 0.628 4.978 4.350 -0.000 0.000 0.282 367 E C -2.011 174.314 176.600 -0.458 0.000 1.026 367 E CA -0.235 55.905 56.400 -0.433 0.000 0.820 367 E CB 1.597 31.079 29.700 -0.363 0.000 1.226 367 E HN 0.095 nan 8.360 nan 0.000 0.432 368 A N 2.175 124.885 122.820 -0.182 0.000 2.380 368 A HA 0.892 5.212 4.320 -0.000 0.000 0.315 368 A C -1.620 176.074 177.584 0.183 0.000 1.101 368 A CA -0.584 51.409 52.037 -0.073 0.000 0.771 368 A CB 1.122 19.971 19.000 -0.252 0.000 1.287 368 A HN 0.457 nan 8.150 nan 0.000 0.436 369 L N 0.532 121.899 121.223 0.239 0.000 2.409 369 L HA 0.869 5.209 4.340 -0.000 0.000 0.262 369 L C -0.498 176.426 176.870 0.090 0.000 0.992 369 L CA -0.060 54.858 54.840 0.130 0.000 0.817 369 L CB 2.117 44.166 42.059 -0.018 0.000 1.350 369 L HN 1.231 nan 8.230 nan 0.000 0.411 370 A N 5.265 128.095 122.820 0.016 0.000 2.530 370 A HA 0.691 5.011 4.320 -0.000 0.000 0.279 370 A C -1.315 176.179 177.584 -0.150 0.000 1.109 370 A CA -0.189 51.804 52.037 -0.073 0.000 0.763 370 A CB 0.419 19.476 19.000 0.096 0.000 1.257 370 A HN 0.570 nan 8.150 nan 0.000 0.424 371 I N 2.843 123.253 120.570 -0.266 0.000 2.312 371 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 371 I C -0.713 175.287 176.117 -0.195 0.000 1.008 371 I CA -0.312 60.867 61.300 -0.202 0.000 1.226 371 I CB 0.862 38.727 38.000 -0.225 0.000 1.371 371 I HN 0.665 nan 8.210 nan 0.000 0.468 372 Y N 3.811 124.036 120.300 -0.125 0.000 2.568 372 Y HA 0.799 5.349 4.550 -0.000 0.000 0.327 372 Y C 0.747 176.614 175.900 -0.056 0.000 1.163 372 Y CA -0.459 57.595 58.100 -0.077 0.000 1.219 372 Y CB 2.059 40.437 38.460 -0.136 0.000 1.308 372 Y HN 0.503 nan 8.280 nan 0.000 0.503 373 G N -0.955 107.948 108.800 0.172 0.000 2.672 373 G HA2 0.654 4.614 3.960 -0.000 0.000 0.292 373 G HA3 0.654 4.614 3.960 -0.000 0.000 0.292 373 G C -1.096 173.850 174.900 0.077 0.000 1.375 373 G CA -0.444 44.728 45.100 0.120 0.000 0.890 373 G HN 0.952 nan 8.290 nan 0.000 0.476 374 G N -0.813 107.911 108.800 -0.127 0.000 2.338 374 G HA2 0.310 4.270 3.960 -0.000 0.000 0.295 374 G HA3 0.310 4.270 3.960 -0.000 0.000 0.295 374 G C 0.192 174.604 174.900 -0.814 0.000 1.461 374 G CA -0.120 44.745 45.100 -0.392 0.000 0.817 374 G HN 0.631 nan 8.290 nan 0.000 0.556 375 N N -0.551 117.755 118.700 -0.657 0.000 2.069 375 N HA -0.084 4.656 4.740 -0.000 0.000 0.191 375 N C 1.705 177.049 175.510 -0.277 0.000 1.031 375 N CA 1.878 54.699 53.050 -0.382 0.000 0.852 375 N CB 0.002 38.450 38.487 -0.066 0.000 1.018 375 N HN 0.789 nan 8.380 nan 0.000 0.423 376 S N -1.061 114.406 115.700 -0.389 0.000 2.646 376 S HA 0.380 4.849 4.470 -0.000 0.000 0.276 376 S C -1.972 172.144 174.600 -0.806 0.000 1.222 376 S CA -1.356 56.380 58.200 -0.773 0.000 1.014 376 S CB 1.941 64.763 63.200 -0.630 0.000 0.991 376 S HN -0.049 nan 8.310 nan 0.000 0.533 377 P HA 0.040 nan 4.420 nan 0.000 0.219 377 P C 1.537 178.225 177.300 -1.020 0.000 1.150 377 P CA 1.533 63.979 63.100 -1.090 0.000 0.814 377 P CB -0.191 30.421 31.700 -1.812 0.000 0.787 378 A N 0.630 122.892 122.820 -0.930 0.000 1.841 378 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 378 A C 2.392 179.740 177.584 -0.395 0.000 1.199 378 A CA 2.603 54.340 52.037 -0.500 0.000 0.621 378 A CB -1.732 17.079 19.000 -0.315 0.000 0.835 378 A HN 0.190 nan 8.150 nan 0.000 0.445 379 A N 0.397 122.977 122.820 -0.401 0.000 1.873 379 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 379 A C 2.358 179.812 177.584 -0.217 0.000 1.193 379 A CA 2.616 54.464 52.037 -0.316 0.000 0.629 379 A CB -0.813 18.032 19.000 -0.257 0.000 0.826 379 A HN 0.891 nan 8.150 nan 0.000 0.447 380 M N -2.309 117.145 119.600 -0.243 0.000 2.394 380 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 380 M C 1.581 177.826 176.300 -0.090 0.000 1.073 380 M CA 2.053 57.266 55.300 -0.146 0.000 1.111 380 M CB -0.857 31.641 32.600 -0.169 0.000 1.401 380 M HN 0.115 nan 8.290 nan 0.000 0.448 381 T N 0.786 115.265 114.554 -0.126 0.000 3.014 381 T HA 0.021 4.371 4.350 -0.000 0.000 0.263 381 T C 0.599 175.270 174.700 -0.047 0.000 1.078 381 T CA 0.903 62.983 62.100 -0.033 0.000 1.135 381 T CB -0.235 68.643 68.868 0.017 0.000 0.895 381 T HN 0.460 nan 8.240 nan 0.000 0.480 382 T N 3.488 117.958 114.554 -0.139 0.000 2.784 382 T HA 0.256 4.606 4.350 -0.000 0.000 0.291 382 T C 0.092 174.691 174.700 -0.167 0.000 0.942 382 T CA 0.191 62.138 62.100 -0.256 0.000 1.161 382 T CB 0.161 68.746 68.868 -0.472 0.000 0.885 382 T HN 0.067 nan 8.240 nan 0.000 0.534 383 R N 3.029 123.415 120.500 -0.191 0.000 2.487 383 R HA 0.295 4.635 4.340 -0.000 0.000 0.288 383 R C -1.247 174.986 176.300 -0.112 0.000 1.394 383 R CA -0.566 55.443 56.100 -0.152 0.000 1.155 383 R CB 0.346 30.604 30.300 -0.069 0.000 1.156 383 R HN 0.504 nan 8.270 nan 0.000 0.553 384 Y N 0.947 121.275 120.300 0.047 0.000 2.425 384 Y HA 0.160 4.710 4.550 0.000 0.000 0.331 384 Y C 0.784 176.727 175.900 0.071 0.000 1.157 384 Y CA -0.481 57.678 58.100 0.098 0.000 1.372 384 Y CB 0.975 39.479 38.460 0.073 0.000 1.253 384 Y HN 0.140 nan 8.280 nan 0.000 0.536 385 V N 4.664 124.785 119.914 0.346 0.000 2.250 385 V HA 0.108 4.228 4.120 -0.000 0.000 0.268 385 V C 0.323 176.619 176.094 0.336 0.000 1.043 385 V CA -0.801 61.671 62.300 0.286 0.000 0.814 385 V CB 0.796 32.792 31.823 0.289 0.000 1.072 385 V HN 0.788 nan 8.190 nan 0.000 0.451 386 D N 3.760 124.334 120.400 0.290 0.000 2.351 386 D HA -0.111 4.529 4.640 -0.000 0.000 0.216 386 D C 2.099 178.570 176.300 0.286 0.000 0.968 386 D CA 1.390 55.550 54.000 0.268 0.000 0.899 386 D CB 0.277 41.191 40.800 0.190 0.000 0.907 386 D HN 0.679 nan 8.370 nan 0.000 0.514 387 G N 0.891 109.823 108.800 0.221 0.000 2.450 387 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 387 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 387 G C 1.653 176.701 174.900 0.246 0.000 1.130 387 G CA 0.857 46.079 45.100 0.204 0.000 0.760 387 G HN 0.388 nan 8.290 nan 0.000 0.557 388 G N -0.463 108.472 108.800 0.225 0.000 2.598 388 G HA2 0.109 4.069 3.960 -0.000 0.000 0.215 388 G HA3 0.109 4.069 3.960 -0.000 0.000 0.215 388 G C 1.295 176.245 174.900 0.083 0.000 1.131 388 G CA 0.340 45.502 45.100 0.102 0.000 0.785 388 G HN 0.376 nan 8.290 nan 0.000 0.539 389 F N 0.398 120.461 119.950 0.189 0.000 2.298 389 F HA 0.429 4.956 4.527 -0.000 0.000 0.282 389 F C 1.528 177.576 175.800 0.415 0.000 1.045 389 F CA 0.763 58.891 58.000 0.213 0.000 1.280 389 F CB -0.025 38.830 39.000 -0.242 0.000 1.114 389 F HN 0.237 nan 8.300 nan 0.000 0.546 390 G N 0.069 109.169 108.800 0.499 0.000 3.162 390 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.599 390 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.599 390 G C -0.124 174.926 174.900 0.250 0.000 1.335 390 G CA -0.678 44.689 45.100 0.446 0.000 1.091 390 G HN -0.013 nan 8.290 nan 0.000 0.570 391 M N 1.992 121.659 119.600 0.111 0.000 2.296 391 M HA 0.129 4.609 4.480 -0.000 0.000 0.265 391 M C 2.450 178.703 176.300 -0.078 0.000 1.064 391 M CA 2.660 57.993 55.300 0.054 0.000 1.109 391 M CB -0.237 32.316 32.600 -0.078 0.000 1.396 391 M HN 0.804 nan 8.290 nan 0.000 0.430 392 G N -0.954 107.720 108.800 -0.210 0.000 2.411 392 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.213 392 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.213 392 G C 1.600 176.248 174.900 -0.420 0.000 1.166 392 G CA 0.423 45.211 45.100 -0.520 0.000 0.802 392 G HN 0.414 nan 8.290 nan 0.000 0.533 393 K N -0.552 119.762 120.400 -0.144 0.000 2.063 393 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 393 K C 1.407 177.888 176.600 -0.199 0.000 1.048 393 K CA 1.115 57.319 56.287 -0.139 0.000 0.928 393 K CB -0.236 32.288 32.500 0.040 0.000 0.713 393 K HN 0.397 nan 8.250 nan 0.000 0.442 394 Y N 1.269 121.503 120.300 -0.111 0.000 2.532 394 Y HA 0.112 4.662 4.550 -0.000 0.000 0.283 394 Y C 0.240 176.078 175.900 -0.104 0.000 1.181 394 Y CA -0.139 57.922 58.100 -0.064 0.000 1.256 394 Y CB -0.127 38.340 38.460 0.012 0.000 1.112 394 Y HN -0.086 nan 8.280 nan 0.000 0.521 395 T N 0.760 115.252 114.554 -0.103 0.000 2.855 395 T HA 0.267 4.617 4.350 -0.000 0.000 0.322 395 T C 0.519 175.150 174.700 -0.114 0.000 1.088 395 T CA 0.195 62.197 62.100 -0.164 0.000 1.104 395 T CB 0.657 69.285 68.868 -0.400 0.000 0.996 395 T HN 0.286 nan 8.240 nan 0.000 0.549 396 T N -0.492 114.006 114.554 -0.093 0.000 2.903 396 T HA 0.559 4.909 4.350 -0.000 0.000 0.299 396 T C -3.200 171.439 174.700 -0.102 0.000 1.093 396 T CA -2.212 59.842 62.100 -0.076 0.000 1.002 396 T CB 1.460 70.308 68.868 -0.033 0.000 1.127 396 T HN 0.188 nan 8.240 nan 0.000 0.488 397 P HA 0.271 nan 4.420 nan 0.000 0.267 397 P C -0.487 176.709 177.300 -0.173 0.000 1.205 397 P CA -0.400 62.576 63.100 -0.207 0.000 0.765 397 P CB 0.236 31.706 31.700 -0.383 0.000 0.828 398 L N 2.796 123.945 121.223 -0.125 0.000 2.410 398 L HA 0.175 4.515 4.340 -0.000 0.000 0.273 398 L C 0.807 177.567 176.870 -0.184 0.000 1.152 398 L CA 0.377 55.187 54.840 -0.051 0.000 0.855 398 L CB 0.053 42.187 42.059 0.126 0.000 1.129 398 L HN 0.293 nan 8.230 nan 0.000 0.463 399 T N 3.991 118.513 114.554 -0.054 0.000 2.753 399 T HA 0.298 4.648 4.350 -0.000 0.000 0.297 399 T C 0.091 174.824 174.700 0.056 0.000 0.981 399 T CA -0.682 61.434 62.100 0.026 0.000 0.956 399 T CB 0.246 69.256 68.868 0.238 0.000 0.936 399 T HN 0.447 nan 8.240 nan 0.000 0.463 400 R N 1.893 122.330 120.500 -0.105 0.000 2.590 400 R HA 0.415 4.755 4.340 -0.000 0.000 0.274 400 R C 1.398 177.896 176.300 0.330 0.000 1.061 400 R CA 0.180 56.244 56.100 -0.060 0.000 1.081 400 R CB 0.011 30.049 30.300 -0.437 0.000 0.984 400 R HN 0.912 nan 8.270 nan 0.000 0.448 401 G N 0.853 109.851 108.800 0.330 0.000 2.205 401 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.261 401 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.261 401 G C 0.467 175.470 174.900 0.173 0.000 0.980 401 G CA 0.347 45.650 45.100 0.339 0.000 0.632 401 G HN 0.453 nan 8.290 nan 0.000 0.533 402 V N -0.026 119.979 119.914 0.151 0.000 3.001 402 V HA 0.164 4.284 4.120 -0.000 0.000 0.228 402 V C 2.087 178.209 176.094 0.047 0.000 1.204 402 V CA 1.532 63.882 62.300 0.083 0.000 1.247 402 V CB -0.230 31.650 31.823 0.094 0.000 1.093 402 V HN 0.182 nan 8.190 nan 0.000 0.504 403 D N -0.295 120.146 120.400 0.068 0.000 2.234 403 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 403 D C 0.469 176.791 176.300 0.038 0.000 0.962 403 D CA 0.971 55.000 54.000 0.047 0.000 0.855 403 D CB 0.234 41.075 40.800 0.068 0.000 0.951 403 D HN 0.406 nan 8.370 nan 0.000 0.500 404 c N -0.589 118.039 118.600 0.047 0.000 3.236 404 c HA 0.399 4.969 4.570 -0.000 0.000 0.312 404 c C -2.418 171.564 174.090 -0.181 0.000 1.374 404 c CA -1.693 54.540 56.329 -0.160 0.000 1.455 404 c CB 1.690 44.103 42.510 -0.162 0.000 1.834 404 c HN -0.018 nan 8.230 nan 0.000 0.460 405 P HA -0.040 nan 4.420 nan 0.000 0.267 405 P C 0.015 177.319 177.300 0.006 0.000 1.195 405 P CA 0.395 63.352 63.100 -0.240 0.000 0.773 405 P CB 0.245 31.694 31.700 -0.419 0.000 0.837 406 Y N 2.360 122.668 120.300 0.015 0.000 2.293 406 Y HA -0.045 4.505 4.550 -0.000 0.000 0.291 406 Y C 1.363 177.358 175.900 0.159 0.000 1.137 406 Y CA 1.614 59.783 58.100 0.115 0.000 1.202 406 Y CB -0.149 38.361 38.460 0.085 0.000 0.990 406 Y HN 0.203 nan 8.280 nan 0.000 0.537 407 L N 0.527 121.811 121.223 0.102 0.000 2.848 407 L HA 0.360 4.700 4.340 -0.000 0.000 0.240 407 L C 0.634 177.565 176.870 0.102 0.000 1.232 407 L CA -0.387 54.493 54.840 0.066 0.000 1.031 407 L CB -0.620 41.459 42.059 0.032 0.000 1.338 407 L HN 0.102 nan 8.230 nan 0.000 0.509 408 A N 0.193 123.014 122.820 0.003 0.000 2.322 408 A HA 0.456 4.776 4.320 -0.000 0.000 0.269 408 A C 0.617 178.108 177.584 -0.155 0.000 1.094 408 A CA -0.199 51.798 52.037 -0.067 0.000 0.807 408 A CB 0.392 19.124 19.000 -0.446 0.000 1.047 408 A HN 0.298 nan 8.150 nan 0.000 0.487 409 T N -0.136 114.446 114.554 0.047 0.000 2.832 409 T HA 0.558 4.908 4.350 -0.000 0.000 0.296 409 T C -0.765 173.881 174.700 -0.089 0.000 0.968 409 T CA 0.061 62.187 62.100 0.045 0.000 1.107 409 T CB -0.081 68.861 68.868 0.124 0.000 0.916 409 T HN 0.355 nan 8.240 nan 0.000 0.517 410 Y N 1.934 122.300 120.300 0.111 0.000 2.393 410 Y HA 0.627 5.177 4.550 -0.000 0.000 0.341 410 Y C -0.119 175.864 175.900 0.137 0.000 0.988 410 Y CA -1.068 57.097 58.100 0.108 0.000 1.078 410 Y CB 2.223 40.693 38.460 0.017 0.000 1.203 410 Y HN 0.559 nan 8.280 nan 0.000 0.453 411 V N 2.692 122.829 119.914 0.373 0.000 2.789 411 V HA 0.366 4.486 4.120 -0.000 0.000 0.311 411 V C -0.760 175.573 176.094 0.397 0.000 1.073 411 V CA -1.118 61.404 62.300 0.369 0.000 0.921 411 V CB 2.011 34.111 31.823 0.461 0.000 1.009 411 V HN 0.667 nan 8.190 nan 0.000 0.426 412 D N 1.011 121.571 120.400 0.268 0.000 2.387 412 D HA 0.401 5.041 4.640 -0.000 0.000 0.251 412 D C -0.949 175.502 176.300 0.252 0.000 1.141 412 D CA -0.094 53.993 54.000 0.145 0.000 0.987 412 D CB 1.478 42.243 40.800 -0.059 0.000 1.116 412 D HN 0.599 nan 8.370 nan 0.000 0.491 413 W N 0.986 122.231 121.300 -0.093 0.000 2.900 413 W HA 0.250 4.910 4.660 0.000 0.000 0.336 413 W C -1.059 175.424 176.519 -0.060 0.000 1.064 413 W CA -0.431 56.922 57.345 0.015 0.000 1.237 413 W CB 0.755 30.218 29.460 0.005 0.000 1.391 413 W HN 0.250 nan 8.180 nan 0.000 0.468 414 H N 6.052 124.843 119.070 -0.465 0.000 2.499 414 H HA 0.641 5.197 4.556 0.000 0.000 0.340 414 H C -0.787 174.046 175.328 -0.826 0.000 1.148 414 H CA -0.516 55.252 56.048 -0.467 0.000 1.215 414 H CB 1.902 31.486 29.762 -0.297 0.000 1.529 414 H HN 0.438 nan 8.280 nan 0.000 0.510 415 F N 0.212 119.784 119.950 -0.630 0.000 2.678 415 F HA 0.492 5.019 4.527 0.000 0.000 0.308 415 F C -2.159 173.450 175.800 -0.319 0.000 1.118 415 F CA -1.204 56.409 58.000 -0.645 0.000 0.959 415 F CB 1.491 39.950 39.000 -0.902 0.000 1.305 415 F HN 0.337 nan 8.300 nan 0.000 0.443 416 L N 4.233 125.359 121.223 -0.162 0.000 2.427 416 L HA 0.724 5.064 4.340 -0.000 0.000 0.264 416 L C -1.968 174.876 176.870 -0.042 0.000 0.989 416 L CA -0.219 54.512 54.840 -0.181 0.000 0.865 416 L CB 1.251 43.215 42.059 -0.159 0.000 1.209 416 L HN 0.753 nan 8.230 nan 0.000 0.430 417 L N 4.352 125.589 121.223 0.023 0.000 2.505 417 L HA 0.424 4.764 4.340 -0.000 0.000 0.266 417 L C 0.051 176.901 176.870 -0.034 0.000 0.954 417 L CA -0.714 54.113 54.840 -0.022 0.000 0.852 417 L CB 2.068 44.169 42.059 0.070 0.000 1.282 417 L HN 0.526 nan 8.230 nan 0.000 0.403 418 E N 0.936 121.060 120.200 -0.127 0.000 2.440 418 E HA -0.243 4.107 4.350 -0.000 0.000 0.246 418 E C -0.100 176.521 176.600 0.035 0.000 1.165 418 E CA 1.011 57.413 56.400 0.003 0.000 0.726 418 E CB -0.704 29.053 29.700 0.095 0.000 1.271 418 E HN 0.727 nan 8.360 nan 0.000 0.397 419 S N -1.973 113.722 115.700 -0.009 0.000 2.843 419 S HA 0.441 4.911 4.470 -0.000 0.000 0.301 419 S C 0.299 174.882 174.600 -0.029 0.000 1.206 419 S CA -0.764 57.428 58.200 -0.014 0.000 0.875 419 S CB 1.899 65.066 63.200 -0.055 0.000 1.248 419 S HN 0.079 nan 8.310 nan 0.000 0.555 420 Q N -0.552 119.227 119.800 -0.034 0.000 2.211 420 Q HA 0.422 4.762 4.340 -0.000 0.000 0.242 420 Q C 0.252 176.215 176.000 -0.062 0.000 0.825 420 Q CA 0.165 55.947 55.803 -0.035 0.000 0.951 420 Q CB 1.338 30.071 28.738 -0.009 0.000 1.130 420 Q HN 0.820 nan 8.270 nan 0.000 0.496 421 A N 3.014 125.784 122.820 -0.084 0.000 2.309 421 A HA 0.481 4.801 4.320 -0.000 0.000 0.298 421 A C -2.401 175.066 177.584 -0.195 0.000 1.165 421 A CA -1.463 50.504 52.037 -0.117 0.000 0.821 421 A CB 0.109 19.048 19.000 -0.102 0.000 1.102 421 A HN -0.095 nan 8.150 nan 0.000 0.500 422 P HA 0.221 nan 4.420 nan 0.000 0.271 422 P C -0.657 176.408 177.300 -0.392 0.000 1.220 422 P CA 0.203 63.108 63.100 -0.325 0.000 0.768 422 P CB 0.744 32.297 31.700 -0.245 0.000 0.848 423 K N 1.141 121.114 120.400 -0.711 0.000 2.280 423 K HA 0.692 5.012 4.320 -0.000 0.000 0.234 423 K C -0.095 176.157 176.600 -0.580 0.000 1.028 423 K CA -0.690 55.219 56.287 -0.629 0.000 0.882 423 K CB 1.227 33.323 32.500 -0.672 0.000 1.194 423 K HN 0.261 nan 8.250 nan 0.000 0.458 424 T N 1.079 115.518 114.554 -0.192 0.000 2.921 424 T HA 0.426 4.776 4.350 -0.000 0.000 0.297 424 T C -0.906 173.872 174.700 0.131 0.000 1.013 424 T CA -0.634 61.448 62.100 -0.030 0.000 0.990 424 T CB 0.652 69.484 68.868 -0.059 0.000 1.023 424 T HN 0.309 nan 8.240 nan 0.000 0.447 425 I N 4.476 125.173 120.570 0.212 0.000 2.307 425 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 425 I C 0.721 176.869 176.117 0.051 0.000 1.021 425 I CA -0.681 60.714 61.300 0.158 0.000 1.224 425 I CB 0.824 38.947 38.000 0.206 0.000 1.376 425 I HN 0.375 nan 8.210 nan 0.000 0.470 426 R N 5.501 125.992 120.500 -0.016 0.000 2.438 426 R HA 0.106 4.446 4.340 -0.000 0.000 0.287 426 R C -0.226 176.024 176.300 -0.083 0.000 1.077 426 R CA -0.353 55.715 56.100 -0.053 0.000 1.034 426 R CB 0.527 30.776 30.300 -0.084 0.000 0.993 426 R HN 0.570 nan 8.270 nan 0.000 0.459 427 D N 1.058 121.444 120.400 -0.023 0.000 2.723 427 D HA -0.197 4.443 4.640 -0.000 0.000 0.236 427 D C 0.776 177.105 176.300 0.048 0.000 1.138 427 D CA 1.206 55.217 54.000 0.018 0.000 0.676 427 D CB -0.981 39.698 40.800 -0.203 0.000 1.069 427 D HN 0.749 nan 8.370 nan 0.000 0.430 428 A N -0.979 121.871 122.820 0.049 0.000 1.929 428 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 428 A C 0.787 178.237 177.584 -0.223 0.000 1.176 428 A CA 0.845 52.796 52.037 -0.143 0.000 0.628 428 A CB 0.118 18.965 19.000 -0.254 0.000 0.816 428 A HN 0.229 nan 8.150 nan 0.000 0.444 429 F N -1.378 118.671 119.950 0.165 0.000 2.556 429 F HA 0.543 5.070 4.527 0.000 0.000 0.327 429 F C 0.297 176.175 175.800 0.131 0.000 1.059 429 F CA -1.040 57.044 58.000 0.140 0.000 0.953 429 F CB 1.569 40.678 39.000 0.181 0.000 1.227 429 F HN 0.244 nan 8.300 nan 0.000 0.478 430 c N 0.358 119.111 118.600 0.255 0.000 2.698 430 c HA 0.952 5.522 4.570 -0.000 0.000 0.309 430 c C -1.111 173.003 174.090 0.041 0.000 1.186 430 c CA -0.999 55.350 56.329 0.033 0.000 1.474 430 c CB 0.656 43.080 42.510 -0.142 0.000 2.020 430 c HN 0.655 nan 8.230 nan 0.000 0.474 431 V N 3.408 123.322 119.914 0.001 0.000 2.656 431 V HA 0.908 5.028 4.120 -0.000 0.000 0.307 431 V C -0.401 175.713 176.094 0.034 0.000 1.051 431 V CA -0.179 62.063 62.300 -0.097 0.000 0.893 431 V CB 1.311 33.059 31.823 -0.123 0.000 0.999 431 V HN 1.096 nan 8.190 nan 0.000 0.426 432 F N 0.540 120.273 119.950 -0.362 0.000 2.719 432 F HA 0.674 5.201 4.527 -0.000 0.000 0.309 432 F C -0.900 174.685 175.800 -0.357 0.000 1.138 432 F CA -0.974 56.870 58.000 -0.260 0.000 0.943 432 F CB 1.474 40.475 39.000 0.003 0.000 1.304 432 F HN 0.415 nan 8.300 nan 0.000 0.445 433 E N 1.232 121.410 120.200 -0.036 0.000 2.266 433 E HA 0.401 4.751 4.350 -0.000 0.000 0.277 433 E C -1.431 175.375 176.600 0.343 0.000 1.018 433 E CA -0.772 55.631 56.400 0.005 0.000 0.840 433 E CB 1.726 31.436 29.700 0.017 0.000 1.082 433 E HN 0.637 nan 8.360 nan 0.000 0.395 434 Q N 3.041 122.971 119.800 0.217 0.000 2.292 434 Q HA 0.217 4.557 4.340 -0.000 0.000 0.270 434 Q C -1.433 174.676 176.000 0.181 0.000 1.024 434 Q CA -0.601 55.370 55.803 0.281 0.000 0.768 434 Q CB 1.177 30.119 28.738 0.341 0.000 1.250 434 Q HN 0.484 nan 8.270 nan 0.000 0.447 435 N N 2.390 121.190 118.700 0.165 0.000 2.470 435 N HA 0.048 4.788 4.740 -0.000 0.000 0.268 435 N C 0.377 175.953 175.510 0.110 0.000 1.136 435 N CA 0.079 53.203 53.050 0.123 0.000 0.961 435 N CB 0.751 39.295 38.487 0.095 0.000 1.067 435 N HN 0.619 nan 8.380 nan 0.000 0.468 436 Q N 2.667 122.530 119.800 0.105 0.000 2.402 436 Q HA 0.133 4.473 4.340 -0.000 0.000 0.206 436 Q C 1.184 177.229 176.000 0.076 0.000 0.919 436 Q CA 0.742 56.603 55.803 0.096 0.000 0.923 436 Q CB 0.778 29.579 28.738 0.106 0.000 1.048 436 Q HN 0.994 nan 8.270 nan 0.000 0.515 437 G N 1.171 110.014 108.800 0.071 0.000 2.729 437 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 437 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 437 G C 0.268 175.203 174.900 0.059 0.000 1.252 437 G CA -0.060 45.076 45.100 0.059 0.000 0.751 437 G HN 0.256 nan 8.290 nan 0.000 0.527 438 L N 3.834 125.091 121.223 0.057 0.000 2.529 438 L HA 0.258 4.598 4.340 -0.000 0.000 0.287 438 L C -1.156 175.754 176.870 0.066 0.000 1.241 438 L CA -0.959 53.913 54.840 0.054 0.000 0.857 438 L CB 0.316 42.401 42.059 0.044 0.000 1.113 438 L HN 0.247 nan 8.230 nan 0.000 0.504 439 P HA -0.009 nan 4.420 nan 0.000 0.275 439 P C 0.341 177.672 177.300 0.053 0.000 1.227 439 P CA -0.447 62.698 63.100 0.076 0.000 0.781 439 P CB 1.201 32.955 31.700 0.090 0.000 0.906 440 L N 3.080 124.339 121.223 0.059 0.000 2.083 440 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 440 L C 1.128 178.013 176.870 0.024 0.000 1.083 440 L CA 1.792 56.657 54.840 0.041 0.000 0.752 440 L CB -0.382 41.718 42.059 0.067 0.000 0.899 440 L HN 0.612 nan 8.230 nan 0.000 0.433 441 R N -0.961 119.560 120.500 0.034 0.000 2.690 441 R HA 0.573 4.913 4.340 -0.000 0.000 0.269 441 R C -1.218 175.088 176.300 0.009 0.000 1.037 441 R CA -0.950 55.161 56.100 0.017 0.000 0.877 441 R CB 0.910 31.217 30.300 0.011 0.000 1.255 441 R HN 0.052 nan 8.270 nan 0.000 0.467 442 R N 2.207 122.699 120.500 -0.013 0.000 2.858 442 R HA 0.210 4.550 4.340 -0.000 0.000 0.252 442 R C -2.330 173.951 176.300 -0.032 0.000 1.063 442 R CA -0.617 55.435 56.100 -0.080 0.000 0.955 442 R CB 1.577 31.891 30.300 0.023 0.000 1.259 442 R HN 0.951 nan 8.270 nan 0.000 0.477 443 H N 2.316 121.198 119.070 -0.314 0.000 2.966 443 H HA 0.369 4.925 4.556 -0.000 0.000 0.347 443 H C -1.714 173.452 175.328 -0.271 0.000 1.048 443 H CA -0.424 55.510 56.048 -0.191 0.000 1.295 443 H CB 1.087 30.793 29.762 -0.093 0.000 1.744 443 H HN 0.552 nan 8.280 nan 0.000 0.513 444 H N 4.037 122.706 119.070 -0.669 0.000 2.638 444 H HA 0.362 4.918 4.556 0.000 0.000 0.303 444 H C -0.950 173.917 175.328 -0.768 0.000 1.034 444 H CA -0.150 55.624 56.048 -0.455 0.000 1.225 444 H CB 1.089 30.806 29.762 -0.076 0.000 1.394 444 H HN 0.493 nan 8.280 nan 0.000 0.477 445 S N 3.890 119.082 115.700 -0.846 0.000 2.423 445 S HA 0.125 4.595 4.470 -0.000 0.000 0.317 445 S C 0.442 174.903 174.600 -0.230 0.000 1.065 445 S CA -0.655 57.163 58.200 -0.637 0.000 1.111 445 S CB 0.265 62.794 63.200 -1.119 0.000 0.968 445 S HN 0.634 nan 8.310 nan 0.000 0.474 446 D N 2.738 123.136 120.400 -0.002 0.000 2.349 446 D HA 0.128 4.768 4.640 -0.000 0.000 0.214 446 D C -0.160 176.124 176.300 -0.026 0.000 1.063 446 D CA 0.102 54.182 54.000 0.134 0.000 0.847 446 D CB 0.349 41.224 40.800 0.124 0.000 0.933 446 D HN 0.341 nan 8.370 nan 0.000 0.513 447 L N 0.206 121.364 121.223 -0.108 0.000 2.313 447 L HA 0.205 4.545 4.340 -0.000 0.000 0.283 447 L C 0.103 176.895 176.870 -0.131 0.000 1.013 447 L CA -0.378 54.328 54.840 -0.223 0.000 0.816 447 L CB 0.812 42.710 42.059 -0.268 0.000 1.236 447 L HN -0.088 nan 8.230 nan 0.000 0.419 448 Y N 1.122 121.382 120.300 -0.067 0.000 2.783 448 Y HA -0.351 4.199 4.550 -0.000 0.000 0.491 448 Y C 1.038 176.898 175.900 -0.066 0.000 1.044 448 Y CA 1.375 59.444 58.100 -0.051 0.000 3.046 448 Y CB -1.894 36.568 38.460 0.004 0.000 0.862 448 Y HN 0.709 nan 8.280 nan 0.000 0.558 449 S N -0.190 115.610 115.700 0.168 0.000 2.526 449 S HA 0.558 5.028 4.470 -0.000 0.000 0.293 449 S C -1.093 173.605 174.600 0.164 0.000 1.092 449 S CA -0.628 57.676 58.200 0.174 0.000 0.980 449 S CB 0.823 64.222 63.200 0.332 0.000 1.048 449 S HN 0.276 nan 8.310 nan 0.000 0.483 450 H N 4.190 123.379 119.070 0.197 0.000 2.741 450 H HA 0.430 4.986 4.556 -0.000 0.000 0.282 450 H C -0.790 174.608 175.328 0.117 0.000 1.122 450 H CA -0.056 56.033 56.048 0.068 0.000 1.293 450 H CB -0.265 29.536 29.762 0.065 0.000 1.415 450 H HN 0.653 nan 8.280 nan 0.000 0.472 451 Y N 1.330 121.634 120.300 0.006 0.000 2.655 451 Y HA 0.566 5.116 4.550 0.000 0.000 0.336 451 Y C -1.868 173.840 175.900 -0.320 0.000 1.154 451 Y CA -1.671 56.324 58.100 -0.175 0.000 1.055 451 Y CB 1.660 40.058 38.460 -0.103 0.000 1.295 451 Y HN 0.232 nan 8.280 nan 0.000 0.465 452 F N 0.619 120.235 119.950 -0.557 0.000 2.569 452 F HA 0.856 5.383 4.527 -0.000 0.000 0.312 452 F C -0.742 174.811 175.800 -0.412 0.000 1.109 452 F CA -0.829 56.799 58.000 -0.619 0.000 0.919 452 F CB 2.509 40.948 39.000 -0.935 0.000 1.211 452 F HN 0.929 nan 8.300 nan 0.000 0.446 453 G N 2.900 111.119 108.800 -0.968 0.000 2.575 453 G HA2 0.561 4.521 3.960 -0.000 0.000 0.279 453 G HA3 0.561 4.521 3.960 -0.000 0.000 0.279 453 G C -1.166 173.393 174.900 -0.569 0.000 1.460 453 G CA -0.162 44.661 45.100 -0.462 0.000 1.214 453 G HN 1.125 nan 8.290 nan 0.000 0.582 454 G N -0.228 108.354 108.800 -0.364 0.000 2.870 454 G HA2 0.838 4.798 3.960 -0.000 0.000 0.299 454 G HA3 0.838 4.798 3.960 -0.000 0.000 0.299 454 G C -2.012 172.935 174.900 0.080 0.000 1.324 454 G CA -0.902 44.134 45.100 -0.105 0.000 0.808 454 G HN 1.506 nan 8.290 nan 0.000 0.535 455 L N -0.458 120.829 121.223 0.108 0.000 2.795 455 L HA 0.717 5.057 4.340 -0.000 0.000 0.260 455 L C -0.116 176.821 176.870 0.110 0.000 0.935 455 L CA -0.545 54.359 54.840 0.106 0.000 0.985 455 L CB 0.962 43.067 42.059 0.077 0.000 1.433 455 L HN 1.304 nan 8.230 nan 0.000 0.447 456 A N 3.577 126.467 122.820 0.117 0.000 2.477 456 A HA 0.425 4.745 4.320 -0.000 0.000 0.246 456 A C 0.176 177.823 177.584 0.104 0.000 1.078 456 A CA -0.089 52.012 52.037 0.106 0.000 0.770 456 A CB 0.117 19.177 19.000 0.100 0.000 1.011 456 A HN 0.785 nan 8.150 nan 0.000 0.494 457 E N 1.784 122.046 120.200 0.102 0.000 2.257 457 E HA 0.319 4.669 4.350 -0.000 0.000 0.278 457 E C -0.528 176.150 176.600 0.130 0.000 1.049 457 E CA 0.031 56.503 56.400 0.120 0.000 0.876 457 E CB 0.483 30.252 29.700 0.115 0.000 1.035 457 E HN 0.612 nan 8.360 nan 0.000 0.419 458 T N 2.951 117.590 114.554 0.143 0.000 2.912 458 T HA 0.508 4.858 4.350 -0.000 0.000 0.288 458 T C -1.196 173.592 174.700 0.148 0.000 1.030 458 T CA -0.586 61.596 62.100 0.137 0.000 1.020 458 T CB 1.792 70.736 68.868 0.127 0.000 1.056 458 T HN 0.298 nan 8.240 nan 0.000 0.480 459 V N 2.375 122.348 119.914 0.099 0.000 2.971 459 V HA 0.702 4.822 4.120 -0.000 0.000 0.309 459 V C -1.546 174.489 176.094 -0.099 0.000 1.130 459 V CA -0.889 61.431 62.300 0.035 0.000 0.964 459 V CB 2.295 34.145 31.823 0.044 0.000 1.029 459 V HN 0.728 nan 8.190 nan 0.000 0.427 460 L N 5.856 126.978 121.223 -0.169 0.000 2.317 460 L HA 0.866 5.206 4.340 -0.000 0.000 0.281 460 L C -0.970 175.684 176.870 -0.360 0.000 1.024 460 L CA 0.059 54.721 54.840 -0.297 0.000 0.810 460 L CB 1.782 43.715 42.059 -0.211 0.000 1.240 460 L HN 0.442 nan 8.230 nan 0.000 0.427 461 V N 5.074 124.630 119.914 -0.597 0.000 2.760 461 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 461 V C -0.866 174.897 176.094 -0.551 0.000 1.077 461 V CA -0.705 61.194 62.300 -0.668 0.000 0.910 461 V CB 2.194 33.331 31.823 -1.143 0.000 1.008 461 V HN 0.540 nan 8.190 nan 0.000 0.424 462 V N 4.115 123.835 119.914 -0.324 0.000 2.604 462 V HA 0.727 4.847 4.120 -0.000 0.000 0.305 462 V C -0.272 175.772 176.094 -0.085 0.000 1.043 462 V CA -0.771 61.402 62.300 -0.212 0.000 0.888 462 V CB 1.904 33.595 31.823 -0.221 0.000 0.995 462 V HN 0.919 nan 8.190 nan 0.000 0.429 463 R N 2.320 122.851 120.500 0.052 0.000 2.564 463 R HA 0.702 5.042 4.340 -0.000 0.000 0.284 463 R C -1.043 175.372 176.300 0.193 0.000 1.031 463 R CA -0.139 56.044 56.100 0.138 0.000 0.904 463 R CB 2.192 32.594 30.300 0.170 0.000 1.199 463 R HN 0.905 nan 8.270 nan 0.000 0.443 464 S N 3.878 119.692 115.700 0.190 0.000 2.600 464 S HA 0.641 5.111 4.470 -0.000 0.000 0.300 464 S C -0.593 174.092 174.600 0.141 0.000 1.087 464 S CA -0.984 57.269 58.200 0.088 0.000 0.965 464 S CB 2.106 65.309 63.200 0.004 0.000 1.089 464 S HN 0.575 nan 8.310 nan 0.000 0.496 465 M N 1.848 121.482 119.600 0.056 0.000 2.213 465 M HA 0.369 4.849 4.480 -0.000 0.000 0.286 465 M C -1.186 175.148 176.300 0.057 0.000 1.008 465 M CA -0.186 55.143 55.300 0.048 0.000 0.937 465 M CB 2.310 34.912 32.600 0.003 0.000 1.600 465 M HN 0.636 nan 8.290 nan 0.000 0.450 466 S N 1.727 117.512 115.700 0.143 0.000 2.420 466 S HA 0.371 4.841 4.470 -0.000 0.000 0.313 466 S C -0.323 174.315 174.600 0.064 0.000 1.079 466 S CA -0.531 57.777 58.200 0.180 0.000 1.104 466 S CB 0.744 64.213 63.200 0.450 0.000 0.969 466 S HN 0.594 nan 8.310 nan 0.000 0.471 467 T N 4.757 119.338 114.554 0.045 0.000 2.891 467 T HA 0.280 4.630 4.350 -0.000 0.000 0.315 467 T C 0.135 174.854 174.700 0.031 0.000 1.054 467 T CA -0.297 61.796 62.100 -0.012 0.000 0.958 467 T CB -0.339 68.545 68.868 0.026 0.000 1.008 467 T HN 0.392 nan 8.240 nan 0.000 0.521 468 L N 6.068 127.180 121.223 -0.185 0.000 2.375 468 L HA 0.303 4.643 4.340 -0.000 0.000 0.276 468 L C 0.941 177.571 176.870 -0.401 0.000 1.162 468 L CA -0.106 54.505 54.840 -0.381 0.000 0.991 468 L CB -0.644 41.107 42.059 -0.513 0.000 1.315 468 L HN 0.718 nan 8.230 nan 0.000 0.431 469 L N 0.148 121.270 121.223 -0.168 0.000 4.244 469 L HA -0.419 3.921 4.340 -0.000 0.000 0.053 469 L C 0.706 177.421 176.870 -0.258 0.000 3.875 469 L CA 1.663 56.463 54.840 -0.067 0.000 1.095 469 L CB -1.300 40.687 42.059 -0.120 0.000 3.276 469 L HN 0.809 nan 8.230 nan 0.000 0.889 473 Y N 0.565 120.754 120.300 -0.185 0.000 2.402 473 Y HA 0.387 4.937 4.550 -0.000 0.000 0.333 473 Y C 0.659 176.221 175.900 -0.564 0.000 1.076 473 Y CA -0.688 57.156 58.100 -0.426 0.000 1.299 473 Y CB 0.721 38.762 38.460 -0.699 0.000 1.197 473 Y HN 0.110 nan 8.280 nan 0.000 0.517 474 V N 4.467 124.226 119.914 -0.258 0.000 2.364 474 V HA 0.199 4.319 4.120 -0.000 0.000 0.272 474 V C -0.757 175.241 176.094 -0.159 0.000 1.036 474 V CA -1.183 61.026 62.300 -0.150 0.000 0.880 474 V CB -0.012 31.845 31.823 0.057 0.000 0.991 474 V HN 0.681 nan 8.190 nan 0.000 0.460 475 W N 2.870 124.271 121.300 0.170 0.000 2.429 475 W HA 0.631 5.291 4.660 -0.000 0.000 0.314 475 W C -0.224 176.321 176.519 0.043 0.000 1.062 475 W CA -0.522 56.879 57.345 0.093 0.000 1.211 475 W CB 1.180 30.646 29.460 0.011 0.000 1.305 475 W HN 0.384 nan 8.180 nan 0.000 0.476 476 D N 1.455 121.969 120.400 0.189 0.000 2.481 476 D HA 0.478 5.118 4.640 -0.000 0.000 0.244 476 D C -0.838 175.348 176.300 -0.189 0.000 1.057 476 D CA -0.502 53.503 54.000 0.009 0.000 0.848 476 D CB 2.332 43.145 40.800 0.023 0.000 1.388 476 D HN 0.069 nan 8.370 nan 0.000 0.475 477 T N 0.800 115.167 114.554 -0.311 0.000 2.890 477 T HA 0.470 4.820 4.350 -0.000 0.000 0.295 477 T C -0.849 173.405 174.700 -0.743 0.000 0.993 477 T CA -0.624 61.123 62.100 -0.588 0.000 0.979 477 T CB 1.251 69.785 68.868 -0.557 0.000 0.967 477 T HN 0.173 nan 8.240 nan 0.000 0.441 478 V N 3.777 123.133 119.914 -0.929 0.000 2.656 478 V HA 0.806 4.926 4.120 -0.000 0.000 0.307 478 V C -1.809 173.577 176.094 -1.180 0.000 1.051 478 V CA -0.913 60.883 62.300 -0.839 0.000 0.893 478 V CB 1.384 32.868 31.823 -0.565 0.000 0.999 478 V HN 0.809 nan 8.190 nan 0.000 0.426 479 F N 6.057 125.490 119.950 -0.862 0.000 2.359 479 F HA 0.573 5.100 4.527 0.000 0.000 0.369 479 F C 0.570 176.028 175.800 -0.570 0.000 1.084 479 F CA -0.542 56.827 58.000 -1.051 0.000 1.096 479 F CB 0.779 38.910 39.000 -1.450 0.000 1.335 479 F HN 0.580 nan 8.300 nan 0.000 0.457 480 H N 3.783 122.906 119.070 0.089 0.000 2.629 480 H HA 0.144 4.700 4.556 -0.000 0.000 0.357 480 H C -1.672 173.974 175.328 0.530 0.000 1.121 480 H CA -1.887 54.317 56.048 0.260 0.000 1.406 480 H CB 1.001 30.873 29.762 0.182 0.000 1.456 480 H HN 0.298 nan 8.280 nan 0.000 0.579 481 P HA -0.050 nan 4.420 nan 0.000 0.245 481 P C 1.030 178.542 177.300 0.354 0.000 1.212 481 P CA 0.556 63.957 63.100 0.503 0.000 0.774 481 P CB 0.172 32.073 31.700 0.335 0.000 0.999 482 S N -1.356 114.497 115.700 0.255 0.000 2.558 482 S HA 0.293 4.763 4.470 -0.000 0.000 0.217 482 S C 1.607 176.144 174.600 -0.106 0.000 0.975 482 S CA 0.682 58.935 58.200 0.088 0.000 0.912 482 S CB -1.047 62.203 63.200 0.083 0.000 0.776 482 S HN 0.265 nan 8.310 nan 0.000 0.526 483 G N 0.285 108.948 108.800 -0.229 0.000 2.179 483 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.220 483 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.220 483 G C 0.182 175.251 174.900 0.283 0.000 0.990 483 G CA -0.152 44.625 45.100 -0.539 0.000 0.646 483 G HN 1.193 nan 8.290 nan 0.000 0.517 484 A N -0.132 122.918 122.820 0.384 0.000 2.302 484 A HA 0.840 5.160 4.320 -0.000 0.000 0.285 484 A C 0.079 177.857 177.584 0.323 0.000 1.105 484 A CA -0.238 52.046 52.037 0.411 0.000 0.816 484 A CB 0.602 19.817 19.000 0.359 0.000 1.067 484 A HN 0.798 nan 8.150 nan 0.000 0.489 485 I N 1.019 121.675 120.570 0.144 0.000 2.418 485 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 485 I C -0.103 175.814 176.117 -0.334 0.000 1.008 485 I CA -0.159 60.959 61.300 -0.304 0.000 1.104 485 I CB 1.809 39.598 38.000 -0.352 0.000 1.264 485 I HN 0.809 nan 8.210 nan 0.000 0.438 486 E N 6.636 126.488 120.200 -0.579 0.000 2.175 486 E HA 0.486 4.836 4.350 -0.000 0.000 0.278 486 E C -1.268 174.796 176.600 -0.893 0.000 0.969 486 E CA -0.711 55.226 56.400 -0.772 0.000 0.796 486 E CB 1.425 30.745 29.700 -0.633 0.000 1.104 486 E HN 0.342 nan 8.360 nan 0.000 0.395 487 I N 4.029 123.931 120.570 -1.112 0.000 2.441 487 I HA 0.488 4.658 4.170 -0.000 0.000 0.295 487 I C -0.104 175.448 176.117 -0.943 0.000 0.994 487 I CA -0.764 59.856 61.300 -1.133 0.000 1.144 487 I CB 1.259 38.196 38.000 -1.772 0.000 1.314 487 I HN 0.539 nan 8.210 nan 0.000 0.445 488 R N 4.881 125.042 120.500 -0.564 0.000 2.740 488 R HA 0.611 4.951 4.340 -0.000 0.000 0.273 488 R C -1.708 174.556 176.300 -0.060 0.000 0.998 488 R CA -0.862 55.015 56.100 -0.372 0.000 0.900 488 R CB 2.239 32.370 30.300 -0.281 0.000 1.223 488 R HN 0.386 nan 8.270 nan 0.000 0.466 489 F N 2.778 122.469 119.950 -0.432 0.000 2.991 489 F HA 0.442 4.969 4.527 -0.000 0.000 0.355 489 F C -2.046 173.435 175.800 -0.531 0.000 1.262 489 F CA -1.132 56.703 58.000 -0.274 0.000 1.127 489 F CB 0.554 39.620 39.000 0.109 0.000 1.447 489 F HN 0.436 nan 8.300 nan 0.000 0.584 490 Y N 3.842 124.082 120.300 -0.100 0.000 2.446 490 Y HA 0.807 5.357 4.550 -0.000 0.000 0.338 490 Y C 0.044 175.834 175.900 -0.184 0.000 1.055 490 Y CA -1.069 56.873 58.100 -0.263 0.000 1.101 490 Y CB 2.067 40.428 38.460 -0.165 0.000 1.221 490 Y HN 0.783 nan 8.280 nan 0.000 0.460 491 A N 1.898 124.684 122.820 -0.057 0.000 2.291 491 A HA 0.732 5.052 4.320 -0.000 0.000 0.311 491 A C -0.085 177.479 177.584 -0.034 0.000 1.224 491 A CA -0.338 51.703 52.037 0.006 0.000 0.821 491 A CB 0.313 19.269 19.000 -0.074 0.000 1.172 491 A HN 0.788 nan 8.150 nan 0.000 0.494 492 T N -0.406 114.110 114.554 -0.064 0.000 2.678 492 T HA 0.942 5.292 4.350 -0.000 0.000 0.260 492 T C 0.720 175.342 174.700 -0.130 0.000 0.932 492 T CA -0.056 61.993 62.100 -0.085 0.000 1.043 492 T CB 0.867 69.676 68.868 -0.098 0.000 1.413 492 T HN 2.528 nan 8.240 nan 0.000 0.568 493 G N -0.317 108.382 108.800 -0.167 0.000 2.587 493 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.212 493 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.212 493 G C -1.093 173.648 174.900 -0.266 0.000 1.327 493 G CA -0.541 44.428 45.100 -0.218 0.000 0.898 493 G HN 0.920 nan 8.290 nan 0.000 0.551 494 Y N -0.424 119.738 120.300 -0.230 0.000 2.354 494 Y HA 0.606 5.156 4.550 -0.000 0.000 0.322 494 Y C 1.269 177.019 175.900 -0.249 0.000 1.253 494 Y CA -0.503 57.459 58.100 -0.230 0.000 1.272 494 Y CB 0.936 39.203 38.460 -0.321 0.000 1.255 494 Y HN 0.535 nan 8.280 nan 0.000 0.500 495 I N 0.647 121.261 120.570 0.072 0.000 2.662 495 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 495 I C 0.332 176.430 176.117 -0.032 0.000 1.046 495 I CA 0.074 61.401 61.300 0.046 0.000 1.361 495 I CB 1.034 39.099 38.000 0.108 0.000 1.429 495 I HN 0.393 nan 8.210 nan 0.000 0.558 496 S N 3.261 118.945 115.700 -0.026 0.000 2.465 496 S HA 0.508 4.978 4.470 -0.000 0.000 0.279 496 S C -0.128 174.478 174.600 0.010 0.000 1.201 496 S CA -0.482 57.684 58.200 -0.057 0.000 1.053 496 S CB -0.088 63.000 63.200 -0.186 0.000 0.953 496 S HN 0.751 nan 8.310 nan 0.000 0.488 497 S N 3.992 119.725 115.700 0.054 0.000 2.600 497 S HA 0.915 5.385 4.470 -0.000 0.000 0.300 497 S C -0.337 174.257 174.600 -0.010 0.000 1.087 497 S CA -0.667 57.568 58.200 0.059 0.000 0.965 497 S CB 1.677 64.932 63.200 0.091 0.000 1.089 497 S HN 0.975 nan 8.310 nan 0.000 0.496 498 A N 1.198 124.001 122.820 -0.028 0.000 2.346 498 A HA 0.782 5.102 4.320 -0.000 0.000 0.313 498 A C -0.802 176.880 177.584 0.165 0.000 1.140 498 A CA -0.835 51.155 52.037 -0.078 0.000 0.826 498 A CB 0.634 19.589 19.000 -0.074 0.000 1.332 498 A HN 1.108 nan 8.150 nan 0.000 0.457 499 F N 0.898 120.999 119.950 0.251 0.000 2.412 499 F HA 0.490 5.017 4.527 -0.000 0.000 0.348 499 F C -0.078 175.848 175.800 0.209 0.000 1.102 499 F CA -0.827 57.318 58.000 0.242 0.000 1.196 499 F CB 0.688 39.798 39.000 0.182 0.000 1.144 499 F HN 0.441 nan 8.300 nan 0.000 0.541 500 L N 8.119 128.988 121.223 -0.591 0.000 2.361 500 L HA 0.342 4.682 4.340 -0.000 0.000 0.278 500 L C -1.615 174.949 176.870 -0.510 0.000 1.113 500 L CA 0.343 54.934 54.840 -0.416 0.000 0.849 500 L CB -0.209 41.680 42.059 -0.284 0.000 1.155 500 L HN 0.616 nan 8.230 nan 0.000 0.452 501 F N 5.889 125.677 119.950 -0.271 0.000 2.722 501 F HA 0.594 5.121 4.527 -0.000 0.000 0.336 501 F C 0.313 176.122 175.800 0.014 0.000 1.216 501 F CA 0.479 58.424 58.000 -0.092 0.000 1.065 501 F CB 0.913 39.979 39.000 0.109 0.000 1.325 501 F HN 0.871 nan 8.300 nan 0.000 0.524 502 G N 3.530 111.856 108.800 -0.790 0.000 2.520 502 G HA2 0.002 3.962 3.960 -0.000 0.000 0.248 502 G HA3 0.002 3.962 3.960 -0.000 0.000 0.248 502 G C 0.425 175.216 174.900 -0.182 0.000 1.161 502 G CA -0.079 44.676 45.100 -0.574 0.000 0.946 502 G HN 1.714 nan 8.290 nan 0.000 0.565 503 A N 0.468 123.267 122.820 -0.036 0.000 2.233 503 A HA 0.548 4.868 4.320 -0.000 0.000 0.230 503 A C 1.227 178.888 177.584 0.129 0.000 1.347 503 A CA 1.786 53.853 52.037 0.050 0.000 1.087 503 A CB -1.122 17.942 19.000 0.106 0.000 0.871 503 A HN 1.548 nan 8.150 nan 0.000 0.519 504 T N -0.443 114.164 114.554 0.088 0.000 2.902 504 T HA 0.284 4.634 4.350 -0.000 0.000 0.317 504 T C 1.618 176.355 174.700 0.062 0.000 1.064 504 T CA 1.997 64.161 62.100 0.106 0.000 1.130 504 T CB 0.236 69.116 68.868 0.019 0.000 1.073 504 T HN 1.571 nan 8.240 nan 0.000 0.524 505 G N 2.600 111.433 108.800 0.054 0.000 2.284 505 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 505 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 505 G C 0.994 175.830 174.900 -0.108 0.000 1.009 505 G CA 0.368 45.455 45.100 -0.022 0.000 0.625 505 G HN 0.635 nan 8.290 nan 0.000 0.501 506 K N -0.342 119.933 120.400 -0.208 0.000 2.504 506 K HA 0.194 4.514 4.320 -0.000 0.000 0.195 506 K C 0.841 177.008 176.600 -0.722 0.000 1.036 506 K CA 0.968 56.955 56.287 -0.501 0.000 0.984 506 K CB 0.002 32.089 32.500 -0.689 0.000 0.788 506 K HN 0.654 nan 8.250 nan 0.000 0.488 507 Y N -1.128 119.165 120.300 -0.012 0.000 2.666 507 Y HA 0.195 4.745 4.550 -0.000 0.000 0.260 507 Y C 0.816 176.708 175.900 -0.013 0.000 1.089 507 Y CA -0.320 57.775 58.100 -0.009 0.000 1.246 507 Y CB 1.862 40.324 38.460 0.003 0.000 1.353 507 Y HN 0.082 nan 8.280 nan 0.000 0.558 508 G N 0.354 109.196 108.800 0.070 0.000 2.302 508 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.276 508 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.276 508 G C -1.986 172.927 174.900 0.023 0.000 1.316 508 G CA -1.105 44.016 45.100 0.035 0.000 0.988 508 G HN -0.062 nan 8.290 nan 0.000 0.479 509 N N 0.512 119.224 118.700 0.021 0.000 2.269 509 N HA 0.404 5.144 4.740 -0.000 0.000 0.304 509 N C -0.464 175.059 175.510 0.022 0.000 1.072 509 N CA -0.596 52.467 53.050 0.021 0.000 0.802 509 N CB 2.194 40.701 38.487 0.034 0.000 1.348 509 N HN 0.688 nan 8.380 nan 0.000 0.484 510 Q N 0.990 120.794 119.800 0.007 0.000 2.274 510 Q HA 0.096 4.436 4.340 -0.000 0.000 0.280 510 Q C -0.061 175.947 176.000 0.012 0.000 1.047 510 Q CA 0.372 56.172 55.803 -0.004 0.000 0.907 510 Q CB 0.880 29.603 28.738 -0.026 0.000 1.171 510 Q HN 0.432 nan 8.270 nan 0.000 0.381 511 V N 2.176 122.098 119.914 0.013 0.000 3.426 511 V HA 0.086 4.206 4.120 -0.000 0.000 0.271 511 V C -0.338 175.766 176.094 0.017 0.000 1.530 511 V CA 1.015 63.331 62.300 0.027 0.000 1.021 511 V CB 1.220 33.069 31.823 0.044 0.000 0.824 511 V HN 0.885 nan 8.190 nan 0.000 0.432 512 S N -1.042 114.660 115.700 0.003 0.000 2.757 512 S HA 0.482 4.952 4.470 -0.000 0.000 0.285 512 S C -1.275 173.331 174.600 0.010 0.000 1.196 512 S CA -0.879 57.329 58.200 0.015 0.000 0.856 512 S CB 1.344 64.539 63.200 -0.009 0.000 1.212 512 S HN 0.136 nan 8.310 nan 0.000 0.516 513 E N 1.307 121.544 120.200 0.062 0.000 2.376 513 E HA 0.125 4.475 4.350 -0.000 0.000 0.266 513 E C -0.042 176.596 176.600 0.063 0.000 1.009 513 E CA 0.128 56.535 56.400 0.011 0.000 0.902 513 E CB -0.319 29.469 29.700 0.147 0.000 0.972 513 E HN 0.770 nan 8.360 nan 0.000 0.439 514 H N -0.580 118.511 119.070 0.036 0.000 3.211 514 H HA -0.127 4.429 4.556 -0.000 0.000 0.240 514 H C -0.490 174.796 175.328 -0.070 0.000 1.148 514 H CA 1.403 57.437 56.048 -0.023 0.000 1.160 514 H CB -1.589 28.277 29.762 0.173 0.000 1.232 514 H HN 0.360 nan 8.280 nan 0.000 0.321 515 T N 1.636 116.197 114.554 0.011 0.000 2.809 515 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 515 T C 0.111 174.806 174.700 -0.008 0.000 0.992 515 T CA -0.695 61.411 62.100 0.010 0.000 0.957 515 T CB 2.182 71.036 68.868 -0.023 0.000 0.942 515 T HN 0.147 nan 8.240 nan 0.000 0.439 516 L N 3.472 124.699 121.223 0.007 0.000 2.275 516 L HA 0.738 5.078 4.340 -0.000 0.000 0.288 516 L C 0.502 177.395 176.870 0.038 0.000 1.046 516 L CA -0.088 54.762 54.840 0.016 0.000 0.805 516 L CB 0.740 42.812 42.059 0.021 0.000 1.193 516 L HN 0.731 nan 8.230 nan 0.000 0.426 517 G N 3.422 112.248 108.800 0.042 0.000 2.391 517 G HA2 0.392 4.352 3.960 -0.000 0.000 0.305 517 G HA3 0.392 4.352 3.960 -0.000 0.000 0.305 517 G C -0.111 174.827 174.900 0.063 0.000 1.072 517 G CA -0.161 44.971 45.100 0.054 0.000 1.016 517 G HN 0.765 nan 8.290 nan 0.000 0.418 518 T N 0.335 114.961 114.554 0.120 0.000 2.884 518 T HA 0.268 4.618 4.350 -0.000 0.000 0.298 518 T C 0.748 175.553 174.700 0.174 0.000 0.998 518 T CA -0.693 61.508 62.100 0.168 0.000 1.124 518 T CB 2.059 71.062 68.868 0.225 0.000 0.931 518 T HN 0.423 nan 8.240 nan 0.000 0.531 519 V N 5.368 125.323 119.914 0.069 0.000 2.901 519 V HA 0.264 4.384 4.120 -0.000 0.000 0.307 519 V C 0.135 176.156 176.094 -0.122 0.000 1.084 519 V CA 0.446 62.693 62.300 -0.088 0.000 1.184 519 V CB -0.369 31.428 31.823 -0.043 0.000 0.941 519 V HN 1.181 nan 8.190 nan 0.000 0.493 520 H N 2.311 121.188 119.070 -0.322 0.000 2.950 520 H HA 0.466 5.022 4.556 -0.000 0.000 0.307 520 H C -1.088 173.971 175.328 -0.449 0.000 1.403 520 H CA -0.326 55.383 56.048 -0.564 0.000 1.145 520 H CB 1.410 30.392 29.762 -1.300 0.000 1.844 520 H HN 0.641 nan 8.280 nan 0.000 0.515 521 T N -0.551 113.800 114.554 -0.337 0.000 2.855 521 T HA 0.377 4.727 4.350 -0.000 0.000 0.281 521 T C -0.625 173.842 174.700 -0.387 0.000 1.007 521 T CA -0.812 61.102 62.100 -0.311 0.000 1.009 521 T CB 1.814 70.566 68.868 -0.193 0.000 0.983 521 T HN 0.604 nan 8.240 nan 0.000 0.455 522 H N 1.513 120.398 119.070 -0.310 0.000 2.466 522 H HA 0.635 5.191 4.556 -0.000 0.000 0.338 522 H C -0.428 174.848 175.328 -0.086 0.000 1.091 522 H CA -0.613 55.298 56.048 -0.227 0.000 1.207 522 H CB 1.854 31.287 29.762 -0.549 0.000 1.466 522 H HN 0.794 nan 8.280 nan 0.000 0.493 523 S N 1.430 117.268 115.700 0.230 0.000 2.541 523 S HA 0.786 5.256 4.470 -0.000 0.000 0.280 523 S C -0.573 174.305 174.600 0.463 0.000 1.112 523 S CA -0.940 57.479 58.200 0.364 0.000 0.925 523 S CB 2.504 65.865 63.200 0.269 0.000 1.067 523 S HN 0.787 nan 8.310 nan 0.000 0.479 524 A N 1.564 124.640 122.820 0.428 0.000 2.454 524 A HA 0.795 5.115 4.320 -0.000 0.000 0.302 524 A C -1.299 176.161 177.584 -0.206 0.000 1.079 524 A CA -0.590 51.423 52.037 -0.039 0.000 0.731 524 A CB 1.327 20.180 19.000 -0.244 0.000 1.299 524 A HN 0.922 nan 8.150 nan 0.000 0.413 525 H N 0.772 119.255 119.070 -0.977 0.000 2.538 525 H HA 0.649 5.205 4.556 -0.000 0.000 0.353 525 H C -1.833 172.948 175.328 -0.910 0.000 1.109 525 H CA -0.365 55.145 56.048 -0.896 0.000 1.192 525 H CB 1.098 29.905 29.762 -1.592 0.000 1.555 525 H HN 0.517 nan 8.280 nan 0.000 0.518 526 F N 2.561 122.183 119.950 -0.546 0.000 2.532 526 F HA 0.306 4.833 4.527 -0.000 0.000 0.321 526 F C 0.134 175.656 175.800 -0.464 0.000 1.089 526 F CA -0.867 56.911 58.000 -0.370 0.000 0.926 526 F CB 1.832 40.805 39.000 -0.046 0.000 1.168 526 F HN 0.257 nan 8.300 nan 0.000 0.459 527 K N 2.360 122.624 120.400 -0.227 0.000 2.213 527 K HA 0.673 4.993 4.320 -0.000 0.000 0.270 527 K C -1.634 174.728 176.600 -0.396 0.000 1.002 527 K CA -0.404 55.589 56.287 -0.491 0.000 0.868 527 K CB 1.284 33.509 32.500 -0.459 0.000 1.093 527 K HN 0.558 nan 8.250 nan 0.000 0.454 528 V N 4.384 124.002 119.914 -0.494 0.000 2.327 528 V HA 0.070 4.190 4.120 -0.000 0.000 0.272 528 V C -0.718 175.186 176.094 -0.317 0.000 1.019 528 V CA -0.856 61.244 62.300 -0.332 0.000 0.814 528 V CB 0.992 32.621 31.823 -0.323 0.000 1.040 528 V HN 0.756 nan 8.190 nan 0.000 0.440 529 D N 4.702 124.958 120.400 -0.240 0.000 2.522 529 D HA 0.285 4.925 4.640 -0.000 0.000 0.218 529 D C -0.033 176.235 176.300 -0.053 0.000 1.149 529 D CA -0.065 53.853 54.000 -0.137 0.000 0.981 529 D CB 0.415 41.188 40.800 -0.045 0.000 1.041 529 D HN 0.386 nan 8.370 nan 0.000 0.518 530 L N 2.457 123.641 121.223 -0.065 0.000 2.416 530 L HA 0.185 4.525 4.340 -0.000 0.000 0.272 530 L C 0.320 177.203 176.870 0.023 0.000 1.161 530 L CA 0.112 54.933 54.840 -0.030 0.000 0.845 530 L CB 0.767 42.814 42.059 -0.019 0.000 1.119 530 L HN 0.151 nan 8.230 nan 0.000 0.464 531 D N 2.836 123.267 120.400 0.051 0.000 2.483 531 D HA 0.173 4.813 4.640 -0.000 0.000 0.281 531 D C -0.514 175.868 176.300 0.137 0.000 1.174 531 D CA -0.182 53.873 54.000 0.092 0.000 0.938 531 D CB 1.117 41.984 40.800 0.112 0.000 1.002 531 D HN 0.018 nan 8.370 nan 0.000 0.501 532 V N 1.562 121.582 119.914 0.176 0.000 2.403 532 V HA 0.239 4.359 4.120 -0.000 0.000 0.265 532 V C 1.157 177.462 176.094 0.350 0.000 1.034 532 V CA -0.079 62.403 62.300 0.303 0.000 1.036 532 V CB 0.049 32.093 31.823 0.368 0.000 1.032 532 V HN 0.718 nan 8.190 nan 0.000 0.478 533 A N 4.008 127.077 122.820 0.416 0.000 2.745 533 A HA 0.125 4.445 4.320 -0.000 0.000 0.296 533 A C 1.152 178.875 177.584 0.232 0.000 1.500 533 A CA 1.202 53.422 52.037 0.306 0.000 0.766 533 A CB -1.508 17.652 19.000 0.267 0.000 1.030 533 A HN 2.682 nan 8.150 nan 0.000 0.489 534 G N -2.691 106.224 108.800 0.191 0.000 2.434 534 G HA2 0.148 4.108 3.960 -0.000 0.000 0.671 534 G HA3 0.148 4.108 3.960 -0.000 0.000 0.671 534 G C 0.302 175.262 174.900 0.100 0.000 1.280 534 G CA -0.302 44.877 45.100 0.131 0.000 0.975 534 G HN 0.977 nan 8.290 nan 0.000 0.510 535 L N -0.042 121.214 121.223 0.055 0.000 2.095 535 L HA 0.128 4.468 4.340 -0.000 0.000 0.204 535 L C 1.300 178.165 176.870 -0.008 0.000 1.080 535 L CA 1.129 55.980 54.840 0.017 0.000 0.759 535 L CB -0.522 41.529 42.059 -0.013 0.000 0.914 535 L HN 0.570 nan 8.230 nan 0.000 0.439 536 E N 1.940 122.129 120.200 -0.018 0.000 2.159 536 E HA 0.102 4.452 4.350 -0.000 0.000 0.272 536 E C -0.647 175.954 176.600 0.002 0.000 1.138 536 E CA 0.179 56.518 56.400 -0.102 0.000 0.915 536 E CB 0.059 29.706 29.700 -0.089 0.000 1.028 536 E HN 0.160 nan 8.360 nan 0.000 0.423 537 N N 2.353 121.000 118.700 -0.087 0.000 2.328 537 N HA 0.431 5.171 4.740 -0.000 0.000 0.299 537 N C -0.673 174.844 175.510 0.011 0.000 1.179 537 N CA -0.565 52.581 53.050 0.160 0.000 0.793 537 N CB 1.263 39.843 38.487 0.155 0.000 1.366 537 N HN 0.348 nan 8.380 nan 0.000 0.493 538 W N -0.154 121.194 121.300 0.081 0.000 2.894 538 W HA 0.569 5.229 4.660 -0.000 0.000 0.345 538 W C -0.402 176.121 176.519 0.007 0.000 1.152 538 W CA -0.963 56.385 57.345 0.005 0.000 1.089 538 W CB 1.476 30.903 29.460 -0.055 0.000 1.454 538 W HN 0.084 nan 8.180 nan 0.000 0.589 539 V N 0.961 120.958 119.914 0.138 0.000 2.448 539 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 539 V C -1.666 174.327 176.094 -0.168 0.000 1.025 539 V CA -0.629 61.696 62.300 0.041 0.000 0.859 539 V CB 0.980 32.843 31.823 0.067 0.000 0.988 539 V HN 0.525 nan 8.190 nan 0.000 0.431 540 W N 4.007 125.124 121.300 -0.305 0.000 2.496 540 W HA 0.788 5.448 4.660 -0.000 0.000 0.327 540 W C 0.181 176.532 176.519 -0.279 0.000 1.086 540 W CA -0.438 56.671 57.345 -0.393 0.000 1.222 540 W CB 2.126 31.099 29.460 -0.812 0.000 1.304 540 W HN 0.831 nan 8.180 nan 0.000 0.547 541 A N 3.091 126.000 122.820 0.149 0.000 2.399 541 A HA 0.513 4.833 4.320 -0.000 0.000 0.327 541 A C -0.659 177.055 177.584 0.217 0.000 1.367 541 A CA -0.584 51.554 52.037 0.168 0.000 0.842 541 A CB 0.165 19.262 19.000 0.161 0.000 1.142 541 A HN 0.658 nan 8.150 nan 0.000 0.495 542 E N 1.339 121.687 120.200 0.246 0.000 2.266 542 E HA 0.471 4.821 4.350 -0.000 0.000 0.277 542 E C -0.543 176.126 176.600 0.116 0.000 1.018 542 E CA -0.200 56.310 56.400 0.183 0.000 0.840 542 E CB 1.317 31.125 29.700 0.180 0.000 1.082 542 E HN 0.735 nan 8.360 nan 0.000 0.395 543 D N 0.686 121.107 120.400 0.036 0.000 3.650 543 D HA 0.388 5.028 4.640 -0.000 0.000 0.341 543 D C -1.435 174.834 176.300 -0.051 0.000 1.479 543 D CA -0.364 53.643 54.000 0.012 0.000 0.963 543 D CB 0.997 41.824 40.800 0.044 0.000 1.449 543 D HN 0.402 nan 8.370 nan 0.000 0.601 544 M N -0.146 119.423 119.600 -0.052 0.000 2.622 544 M HA 0.748 5.228 4.480 -0.000 0.000 0.276 544 M C -1.677 174.558 176.300 -0.110 0.000 1.265 544 M CA -0.836 54.393 55.300 -0.118 0.000 0.850 544 M CB 2.820 35.321 32.600 -0.164 0.000 1.720 544 M HN 0.085 nan 8.290 nan 0.000 0.465 545 V N 0.814 120.614 119.914 -0.190 0.000 3.167 545 V HA 0.647 4.766 4.120 -0.000 0.000 0.293 545 V C -2.155 173.796 176.094 -0.238 0.000 1.379 545 V CA -0.581 61.645 62.300 -0.125 0.000 1.019 545 V CB 2.697 34.504 31.823 -0.027 0.000 1.115 545 V HN 0.863 nan 8.190 nan 0.000 0.442 546 F N 3.810 123.764 119.950 0.007 0.000 2.450 546 F HA 0.769 5.296 4.527 0.000 0.000 0.332 546 F C -0.025 175.777 175.800 0.004 0.000 1.093 546 F CA -0.636 57.366 58.000 0.004 0.000 1.003 546 F CB 2.199 41.202 39.000 0.003 0.000 1.151 546 F HN 0.268 nan 8.300 nan 0.000 0.474 547 V N 4.337 124.379 119.914 0.213 0.000 2.419 547 V HA 0.288 4.408 4.120 -0.000 0.000 0.287 547 V C -2.416 173.734 176.094 0.093 0.000 1.017 547 V CA -2.075 60.293 62.300 0.113 0.000 0.844 547 V CB 1.460 33.322 31.823 0.065 0.000 1.011 547 V HN 0.498 nan 8.190 nan 0.000 0.429 548 P HA 0.275 nan 4.420 nan 0.000 0.265 548 P C -0.396 176.917 177.300 0.021 0.000 1.193 548 P CA 0.490 63.610 63.100 0.033 0.000 0.765 548 P CB 0.408 32.118 31.700 0.017 0.000 0.823 549 M N 1.286 120.889 119.600 0.005 0.000 2.644 549 M HA 0.531 5.011 4.480 -0.000 0.000 0.273 549 M C -0.886 175.393 176.300 -0.035 0.000 1.253 549 M CA -1.065 54.230 55.300 -0.008 0.000 0.852 549 M CB 2.548 35.147 32.600 -0.002 0.000 1.708 549 M HN 0.184 nan 8.290 nan 0.000 0.471 550 A N 1.577 124.370 122.820 -0.046 0.000 2.366 550 A HA 0.551 4.871 4.320 -0.000 0.000 0.272 550 A C -0.159 177.338 177.584 -0.145 0.000 1.135 550 A CA -0.506 51.484 52.037 -0.079 0.000 0.804 550 A CB 0.155 19.117 19.000 -0.064 0.000 1.064 550 A HN 0.590 nan 8.150 nan 0.000 0.499 551 V N 5.600 125.369 119.914 -0.242 0.000 2.539 551 V HA -0.023 4.097 4.120 -0.000 0.000 0.300 551 V C -1.261 174.555 176.094 -0.463 0.000 1.019 551 V CA -0.132 61.860 62.300 -0.512 0.000 1.160 551 V CB 0.479 31.834 31.823 -0.781 0.000 0.901 551 V HN 0.845 nan 8.190 nan 0.000 0.481 552 P HA -0.149 nan 4.420 nan 0.000 0.216 552 P C 1.183 178.502 177.300 0.032 0.000 1.153 552 P CA 1.797 64.871 63.100 -0.043 0.000 0.858 552 P CB 0.025 31.829 31.700 0.173 0.000 0.789 553 W N -2.322 118.997 121.300 0.031 0.000 3.290 553 W HA 0.485 5.145 4.660 -0.000 0.000 0.287 553 W C 0.204 176.749 176.519 0.044 0.000 1.288 553 W CA -0.008 57.355 57.345 0.031 0.000 1.725 553 W CB -0.353 29.123 29.460 0.026 0.000 1.103 553 W HN -0.155 nan 8.180 nan 0.000 0.670 554 S N 0.683 116.240 115.700 -0.238 0.000 2.708 554 S HA 0.236 4.706 4.470 -0.000 0.000 0.141 554 S C -1.905 172.612 174.600 -0.137 0.000 1.349 554 S CA -0.738 57.394 58.200 -0.113 0.000 1.206 554 S CB 0.055 63.251 63.200 -0.006 0.000 1.603 554 S HN -0.221 nan 8.310 nan 0.000 0.415 555 P HA -0.121 nan 4.420 nan 0.000 0.220 555 P C 1.257 178.504 177.300 -0.088 0.000 1.144 555 P CA 0.910 63.954 63.100 -0.093 0.000 0.800 555 P CB 0.191 31.857 31.700 -0.057 0.000 0.772 556 E N -1.054 119.073 120.200 -0.121 0.000 2.333 556 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 556 E C 0.099 176.605 176.600 -0.157 0.000 1.010 556 E CA 1.059 57.355 56.400 -0.173 0.000 0.841 556 E CB -0.479 29.043 29.700 -0.296 0.000 0.757 556 E HN 0.416 nan 8.360 nan 0.000 0.508 557 H N -0.523 118.481 119.070 -0.110 0.000 2.572 557 H HA 0.362 4.918 4.556 -0.000 0.000 0.359 557 H C -0.517 174.728 175.328 -0.138 0.000 1.134 557 H CA -1.149 54.828 56.048 -0.118 0.000 1.187 557 H CB 1.216 30.887 29.762 -0.152 0.000 1.597 557 H HN -0.059 nan 8.280 nan 0.000 0.524 558 Q N 2.412 122.233 119.800 0.035 0.000 2.301 558 Q HA 0.440 4.780 4.340 -0.000 0.000 0.267 558 Q C -1.143 174.817 176.000 -0.066 0.000 1.035 558 Q CA -0.999 54.785 55.803 -0.032 0.000 0.856 558 Q CB 3.285 32.013 28.738 -0.017 0.000 1.337 558 Q HN 0.511 nan 8.270 nan 0.000 0.450 559 L N 0.025 121.210 121.223 -0.064 0.000 2.455 559 L HA 0.407 4.747 4.340 -0.000 0.000 0.264 559 L C -1.248 175.618 176.870 -0.007 0.000 0.968 559 L CA -0.724 54.083 54.840 -0.054 0.000 0.827 559 L CB 2.209 44.219 42.059 -0.080 0.000 1.317 559 L HN 0.385 nan 8.230 nan 0.000 0.407 560 Q N 3.732 123.536 119.800 0.006 0.000 2.377 560 Q HA 0.285 4.625 4.340 -0.000 0.000 0.249 560 Q C -0.785 175.367 176.000 0.252 0.000 1.005 560 Q CA -0.407 55.430 55.803 0.057 0.000 0.912 560 Q CB 1.452 30.106 28.738 -0.140 0.000 1.223 560 Q HN 0.462 nan 8.270 nan 0.000 0.459 561 R N 2.837 123.484 120.500 0.246 0.000 2.196 561 R HA 0.244 4.584 4.340 -0.000 0.000 0.340 561 R C -1.010 175.374 176.300 0.140 0.000 1.043 561 R CA -0.506 55.701 56.100 0.178 0.000 0.883 561 R CB -0.116 30.239 30.300 0.091 0.000 1.078 561 R HN 0.425 nan 8.270 nan 0.000 0.462 562 L N 3.631 124.875 121.223 0.036 0.000 2.326 562 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 562 L C -0.848 175.909 176.870 -0.188 0.000 1.092 562 L CA 0.591 55.252 54.840 -0.297 0.000 0.810 562 L CB 1.038 42.889 42.059 -0.347 0.000 1.153 562 L HN 0.695 nan 8.230 nan 0.000 0.439 563 Q N 3.580 123.236 119.800 -0.239 0.000 2.340 563 Q HA 0.449 4.789 4.340 -0.000 0.000 0.276 563 Q C -1.294 174.615 176.000 -0.152 0.000 1.048 563 Q CA -1.004 54.713 55.803 -0.143 0.000 0.832 563 Q CB 2.413 31.099 28.738 -0.086 0.000 1.373 563 Q HN 0.467 nan 8.270 nan 0.000 0.409 564 V N 0.984 120.828 119.914 -0.118 0.000 3.003 564 V HA 0.342 4.462 4.120 -0.000 0.000 0.305 564 V C 0.100 176.159 176.094 -0.059 0.000 1.078 564 V CA 0.208 62.443 62.300 -0.108 0.000 1.083 564 V CB 1.583 33.337 31.823 -0.115 0.000 1.039 564 V HN 0.780 nan 8.190 nan 0.000 0.481 565 T N 4.465 118.999 114.554 -0.033 0.000 2.985 565 T HA 0.435 4.785 4.350 -0.000 0.000 0.315 565 T C -0.605 174.137 174.700 0.070 0.000 1.001 565 T CA -0.598 61.512 62.100 0.017 0.000 1.016 565 T CB 0.317 69.193 68.868 0.014 0.000 0.993 565 T HN 0.672 nan 8.240 nan 0.000 0.454 566 R N 2.803 123.373 120.500 0.117 0.000 2.393 566 R HA 0.626 4.966 4.340 -0.000 0.000 0.315 566 R C -0.522 175.955 176.300 0.295 0.000 0.952 566 R CA -1.039 55.211 56.100 0.250 0.000 0.842 566 R CB 2.071 32.523 30.300 0.253 0.000 1.163 566 R HN 0.282 nan 8.270 nan 0.000 0.450 567 K N 3.431 123.982 120.400 0.251 0.000 2.324 567 K HA 0.298 4.618 4.320 -0.000 0.000 0.253 567 K C -1.244 175.295 176.600 -0.102 0.000 0.932 567 K CA -0.991 55.350 56.287 0.089 0.000 0.799 567 K CB 1.618 34.150 32.500 0.054 0.000 1.154 567 K HN 0.417 nan 8.250 nan 0.000 0.425 568 L N 6.069 127.039 121.223 -0.421 0.000 2.255 568 L HA 0.334 4.674 4.340 -0.000 0.000 0.289 568 L C -1.129 175.514 176.870 -0.379 0.000 1.046 568 L CA -0.210 54.129 54.840 -0.835 0.000 0.816 568 L CB 0.556 41.868 42.059 -1.244 0.000 1.197 568 L HN 0.580 nan 8.230 nan 0.000 0.427 569 L N 5.167 126.232 121.223 -0.262 0.000 2.369 569 L HA 0.182 4.522 4.340 -0.000 0.000 0.279 569 L C 0.926 177.740 176.870 -0.094 0.000 1.108 569 L CA 0.063 54.833 54.840 -0.117 0.000 0.852 569 L CB 0.636 42.670 42.059 -0.042 0.000 1.169 569 L HN 0.751 nan 8.230 nan 0.000 0.452 570 E N 2.494 122.651 120.200 -0.071 0.000 2.364 570 E HA 0.144 4.494 4.350 -0.000 0.000 0.196 570 E C -0.082 176.489 176.600 -0.049 0.000 0.990 570 E CA 0.583 56.956 56.400 -0.046 0.000 0.886 570 E CB 0.531 30.210 29.700 -0.035 0.000 0.866 570 E HN 0.444 nan 8.360 nan 0.000 0.493 571 M N -0.203 119.366 119.600 -0.052 0.000 2.518 571 M HA 0.254 4.734 4.480 -0.000 0.000 0.300 571 M C 0.492 176.759 176.300 -0.054 0.000 1.175 571 M CA -0.292 54.977 55.300 -0.051 0.000 0.890 571 M CB 1.684 34.256 32.600 -0.047 0.000 1.710 571 M HN -0.098 nan 8.290 nan 0.000 0.453 572 E N 0.953 121.124 120.200 -0.048 0.000 2.086 572 E HA -0.240 4.110 4.350 -0.000 0.000 0.200 572 E C 1.133 177.694 176.600 -0.066 0.000 1.012 572 E CA 1.782 58.156 56.400 -0.043 0.000 0.812 572 E CB 0.305 29.981 29.700 -0.040 0.000 0.743 572 E HN 0.551 nan 8.360 nan 0.000 0.453 573 E N 0.664 120.822 120.200 -0.069 0.000 2.153 573 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 573 E C 2.011 178.532 176.600 -0.132 0.000 0.988 573 E CA 1.022 57.375 56.400 -0.078 0.000 0.811 573 E CB -0.271 29.395 29.700 -0.056 0.000 0.746 573 E HN 0.480 nan 8.360 nan 0.000 0.466 574 Q N 0.225 119.947 119.800 -0.131 0.000 2.167 574 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 574 Q C 1.682 177.483 176.000 -0.332 0.000 0.970 574 Q CA 1.251 56.947 55.803 -0.178 0.000 0.855 574 Q CB 0.034 28.713 28.738 -0.099 0.000 0.911 574 Q HN 0.210 nan 8.270 nan 0.000 0.438 575 A N 0.336 123.012 122.820 -0.240 0.000 2.345 575 A HA 0.459 4.779 4.320 -0.000 0.000 0.225 575 A C 0.548 177.984 177.584 -0.246 0.000 1.243 575 A CA -0.056 51.861 52.037 -0.199 0.000 0.875 575 A CB 0.266 19.295 19.000 0.049 0.000 0.929 575 A HN 0.204 nan 8.150 nan 0.000 0.502 576 A N 0.258 122.888 122.820 -0.316 0.000 2.279 576 A HA 0.658 4.978 4.320 -0.000 0.000 0.306 576 A C -0.889 176.601 177.584 -0.156 0.000 1.300 576 A CA -0.235 51.749 52.037 -0.089 0.000 0.925 576 A CB -0.413 18.592 19.000 0.007 0.000 1.152 576 A HN 0.269 nan 8.150 nan 0.000 0.544 577 F N 2.637 122.760 119.950 0.288 0.000 2.426 577 F HA 0.442 4.969 4.527 -0.000 0.000 0.348 577 F C 0.226 176.175 175.800 0.248 0.000 1.124 577 F CA -0.439 57.694 58.000 0.222 0.000 1.008 577 F CB 1.523 40.618 39.000 0.160 0.000 1.139 577 F HN 0.374 nan 8.300 nan 0.000 0.452 578 L N 3.377 124.760 121.223 0.267 0.000 2.418 578 L HA 0.346 4.686 4.340 -0.000 0.000 0.265 578 L C 0.006 176.944 176.870 0.113 0.000 1.143 578 L CA -0.956 53.934 54.840 0.084 0.000 0.809 578 L CB 0.882 42.915 42.059 -0.043 0.000 1.124 578 L HN 0.279 nan 8.230 nan 0.000 0.456 579 V N 2.759 122.708 119.914 0.058 0.000 2.617 579 V HA 0.138 4.258 4.120 -0.000 0.000 0.304 579 V C 1.136 177.256 176.094 0.044 0.000 1.040 579 V CA 1.855 64.194 62.300 0.064 0.000 1.149 579 V CB 0.270 32.117 31.823 0.040 0.000 0.914 579 V HN 1.121 nan 8.190 nan 0.000 0.487 580 G N 4.332 113.166 108.800 0.057 0.000 2.611 580 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.208 580 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.208 580 G C 0.567 175.503 174.900 0.060 0.000 1.201 580 G CA 0.093 45.221 45.100 0.047 0.000 0.739 580 G HN 0.775 nan 8.290 nan 0.000 0.528 581 S N 1.801 117.548 115.700 0.078 0.000 2.563 581 S HA 0.535 5.005 4.470 -0.000 0.000 0.284 581 S C 0.906 175.570 174.600 0.106 0.000 1.331 581 S CA 0.456 58.718 58.200 0.105 0.000 1.047 581 S CB 1.091 64.387 63.200 0.161 0.000 0.859 581 S HN 1.542 nan 8.310 nan 0.000 0.514 582 A N 2.019 124.895 122.820 0.094 0.000 2.259 582 A HA 0.741 5.061 4.320 -0.000 0.000 0.278 582 A C 0.402 178.031 177.584 0.075 0.000 1.107 582 A CA -0.355 51.721 52.037 0.066 0.000 0.828 582 A CB 0.669 19.701 19.000 0.055 0.000 1.111 582 A HN 0.771 nan 8.150 nan 0.000 0.498 583 T N -0.214 114.329 114.554 -0.018 0.000 3.159 583 T HA 0.544 4.894 4.350 -0.000 0.000 0.343 583 T C -3.159 171.424 174.700 -0.196 0.000 1.364 583 T CA -0.976 60.999 62.100 -0.209 0.000 1.102 583 T CB 0.965 69.635 68.868 -0.330 0.000 1.263 583 T HN 0.454 nan 8.240 nan 0.000 0.477 584 P HA 0.264 nan 4.420 nan 0.000 0.264 584 P C 0.723 177.999 177.300 -0.041 0.000 1.183 584 P CA -0.169 62.895 63.100 -0.059 0.000 0.763 584 P CB 0.502 32.194 31.700 -0.014 0.000 0.807 585 R N 1.443 121.969 120.500 0.044 0.000 2.092 585 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 585 R C 0.091 176.459 176.300 0.112 0.000 1.119 585 R CA 1.238 57.386 56.100 0.079 0.000 0.970 585 R CB -0.213 30.173 30.300 0.142 0.000 0.864 585 R HN 0.488 nan 8.270 nan 0.000 0.440 586 Y N 0.562 120.827 120.300 -0.059 0.000 2.402 586 Y HA 0.365 4.915 4.550 -0.000 0.000 0.332 586 Y C -0.533 175.380 175.900 0.021 0.000 0.960 586 Y CA -0.974 57.081 58.100 -0.075 0.000 1.228 586 Y CB 1.236 39.609 38.460 -0.146 0.000 1.120 586 Y HN -0.067 nan 8.280 nan 0.000 0.491 587 L N 6.864 128.135 121.223 0.080 0.000 2.376 587 L HA 0.668 5.008 4.340 -0.000 0.000 0.275 587 L C -1.639 175.351 176.870 0.199 0.000 0.987 587 L CA -0.725 54.181 54.840 0.110 0.000 0.828 587 L CB 1.016 43.072 42.059 -0.005 0.000 1.249 587 L HN 0.566 nan 8.230 nan 0.000 0.409 588 Y N 3.430 123.799 120.300 0.115 0.000 2.544 588 Y HA 0.673 5.223 4.550 -0.000 0.000 0.342 588 Y C -1.800 174.249 175.900 0.248 0.000 1.062 588 Y CA -1.457 56.731 58.100 0.147 0.000 1.023 588 Y CB 1.016 39.548 38.460 0.121 0.000 1.308 588 Y HN 0.326 nan 8.280 nan 0.000 0.457 589 L N 3.353 124.807 121.223 0.385 0.000 2.357 589 L HA 0.938 5.278 4.340 -0.000 0.000 0.273 589 L C 0.071 177.247 176.870 0.510 0.000 1.080 589 L CA -0.866 54.179 54.840 0.341 0.000 0.803 589 L CB 1.427 43.630 42.059 0.239 0.000 1.174 589 L HN 1.005 nan 8.230 nan 0.000 0.443 590 A N 1.655 124.778 122.820 0.505 0.000 2.588 590 A HA 0.702 5.022 4.320 -0.000 0.000 0.290 590 A C -1.125 176.776 177.584 0.528 0.000 1.136 590 A CA -0.412 51.967 52.037 0.569 0.000 0.681 590 A CB 1.974 21.381 19.000 0.679 0.000 1.282 590 A HN 0.531 nan 8.150 nan 0.000 0.421 591 S N -0.896 115.060 115.700 0.427 0.000 2.621 591 S HA 0.387 4.857 4.470 -0.000 0.000 0.302 591 S C 0.919 175.623 174.600 0.173 0.000 1.093 591 S CA -0.520 57.898 58.200 0.362 0.000 1.017 591 S CB 1.365 64.731 63.200 0.276 0.000 1.077 591 S HN 0.721 nan 8.310 nan 0.000 0.517 592 N N 1.572 120.337 118.700 0.108 0.000 2.043 592 N HA -0.093 4.647 4.740 -0.000 0.000 0.193 592 N C 0.222 175.748 175.510 0.026 0.000 1.037 592 N CA 1.401 54.380 53.050 -0.119 0.000 0.851 592 N CB -0.880 37.628 38.487 0.035 0.000 1.027 592 N HN 0.647 nan 8.380 nan 0.000 0.422 593 H N -0.628 118.478 119.070 0.061 0.000 2.983 593 H HA 0.111 4.667 4.556 -0.000 0.000 0.361 593 H C 0.562 175.881 175.328 -0.015 0.000 1.145 593 H CA 0.271 56.327 56.048 0.014 0.000 1.404 593 H CB 0.243 30.014 29.762 0.014 0.000 1.356 593 H HN 0.275 nan 8.280 nan 0.000 0.612 594 S N 1.267 117.002 115.700 0.058 0.000 2.627 594 S HA 0.390 4.860 4.470 -0.000 0.000 0.283 594 S C -0.082 174.440 174.600 -0.131 0.000 1.127 594 S CA -1.137 57.044 58.200 -0.031 0.000 0.863 594 S CB 2.130 65.308 63.200 -0.036 0.000 1.121 594 S HN 0.749 nan 8.310 nan 0.000 0.479 595 N N 0.950 119.552 118.700 -0.162 0.000 2.327 595 N HA 0.184 4.924 4.740 -0.000 0.000 0.257 595 N C 0.805 176.096 175.510 -0.365 0.000 1.281 595 N CA -0.582 52.316 53.050 -0.253 0.000 0.942 595 N CB 0.107 38.474 38.487 -0.199 0.000 1.199 595 N HN 0.803 nan 8.380 nan 0.000 0.532 596 K N -0.462 119.580 120.400 -0.597 0.000 2.127 596 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 596 K C 0.917 177.063 176.600 -0.757 0.000 1.047 596 K CA 1.656 57.432 56.287 -0.852 0.000 0.927 596 K CB -0.198 31.468 32.500 -1.390 0.000 0.716 596 K HN 0.702 nan 8.250 nan 0.000 0.450 597 W N -0.472 120.707 121.300 -0.203 0.000 3.290 597 W HA 0.215 4.875 4.660 0.000 0.000 0.287 597 W C 1.108 177.388 176.519 -0.399 0.000 1.288 597 W CA 0.019 57.194 57.345 -0.283 0.000 1.725 597 W CB 0.424 29.692 29.460 -0.319 0.000 1.103 597 W HN 0.310 nan 8.180 nan 0.000 0.670 598 G N -0.185 108.492 108.800 -0.204 0.000 2.159 598 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.227 598 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.227 598 G C -0.045 174.780 174.900 -0.124 0.000 0.986 598 G CA -0.355 44.644 45.100 -0.167 0.000 0.651 598 G HN 0.304 nan 8.290 nan 0.000 0.523 599 H N 1.196 120.237 119.070 -0.050 0.000 2.481 599 H HA 0.451 5.007 4.556 -0.000 0.000 0.339 599 H C -2.114 173.154 175.328 -0.099 0.000 1.131 599 H CA -1.989 53.996 56.048 -0.105 0.000 1.301 599 H CB 0.997 30.666 29.762 -0.155 0.000 1.476 599 H HN 0.147 nan 8.280 nan 0.000 0.529 600 P HA 0.028 nan 4.420 nan 0.000 0.268 600 P C -0.196 177.169 177.300 0.108 0.000 1.204 600 P CA -0.033 63.101 63.100 0.057 0.000 0.768 600 P CB 0.795 32.510 31.700 0.026 0.000 0.842 601 R N 1.977 122.554 120.500 0.128 0.000 2.404 601 R HA 0.406 4.746 4.340 -0.000 0.000 0.315 601 R C 0.912 177.427 176.300 0.359 0.000 1.032 601 R CA 0.206 56.402 56.100 0.159 0.000 0.992 601 R CB 0.068 30.408 30.300 0.067 0.000 0.959 601 R HN 0.591 nan 8.270 nan 0.000 0.428 602 G N 2.196 111.200 108.800 0.339 0.000 2.524 602 G HA2 0.451 4.411 3.960 -0.000 0.000 0.310 602 G HA3 0.451 4.411 3.960 -0.000 0.000 0.310 602 G C -1.732 173.337 174.900 0.282 0.000 1.279 602 G CA -0.418 44.936 45.100 0.424 0.000 0.974 602 G HN 0.390 nan 8.290 nan 0.000 0.484 603 Y N 0.161 120.602 120.300 0.234 0.000 2.393 603 Y HA 0.588 5.138 4.550 -0.000 0.000 0.341 603 Y C 0.581 176.582 175.900 0.169 0.000 0.988 603 Y CA -0.721 57.440 58.100 0.102 0.000 1.078 603 Y CB 2.214 40.667 38.460 -0.011 0.000 1.203 603 Y HN 0.643 nan 8.280 nan 0.000 0.453 604 R N 4.283 124.872 120.500 0.149 0.000 2.445 604 R HA 0.667 5.007 4.340 -0.000 0.000 0.308 604 R C -1.709 174.639 176.300 0.081 0.000 0.961 604 R CA -0.420 55.735 56.100 0.092 0.000 0.862 604 R CB 0.746 30.958 30.300 -0.147 0.000 1.144 604 R HN 0.723 nan 8.270 nan 0.000 0.447 605 I N 3.401 124.008 120.570 0.063 0.000 2.396 605 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 605 I C -0.158 175.955 176.117 -0.006 0.000 0.999 605 I CA -0.242 61.075 61.300 0.028 0.000 1.310 605 I CB 1.597 39.572 38.000 -0.041 0.000 1.404 605 I HN 0.609 nan 8.210 nan 0.000 0.496 606 Q N 7.797 127.628 119.800 0.052 0.000 2.294 606 Q HA 0.474 4.814 4.340 -0.000 0.000 0.264 606 Q C -1.484 174.579 176.000 0.104 0.000 0.992 606 Q CA -0.643 55.175 55.803 0.026 0.000 0.747 606 Q CB 1.674 30.417 28.738 0.009 0.000 1.262 606 Q HN 0.645 nan 8.270 nan 0.000 0.452 607 M N 2.683 122.305 119.600 0.037 0.000 2.371 607 M HA 0.493 4.973 4.480 -0.000 0.000 0.301 607 M C -0.691 175.601 176.300 -0.014 0.000 1.173 607 M CA -0.724 54.605 55.300 0.048 0.000 1.020 607 M CB 1.101 33.708 32.600 0.011 0.000 1.490 607 M HN 0.530 nan 8.290 nan 0.000 0.485 608 L N 0.754 121.937 121.223 -0.067 0.000 2.534 608 L HA 0.374 4.714 4.340 -0.000 0.000 0.259 608 L C -0.947 175.728 176.870 -0.326 0.000 1.108 608 L CA 0.079 54.790 54.840 -0.214 0.000 0.905 608 L CB 1.568 43.538 42.059 -0.149 0.000 1.138 608 L HN 0.636 nan 8.230 nan 0.000 0.475 609 S N 1.252 116.648 115.700 -0.505 0.000 2.536 609 S HA 0.707 5.177 4.470 -0.000 0.000 0.271 609 S C -0.922 173.316 174.600 -0.605 0.000 1.134 609 S CA -0.301 57.684 58.200 -0.359 0.000 0.897 609 S CB 0.900 64.065 63.200 -0.058 0.000 1.094 609 S HN 0.283 nan 8.310 nan 0.000 0.473 610 F N 2.401 122.421 119.950 0.115 0.000 2.831 610 F HA 0.486 5.013 4.527 -0.000 0.000 0.355 610 F C 0.950 176.824 175.800 0.124 0.000 1.341 610 F CA -0.706 57.353 58.000 0.098 0.000 1.201 610 F CB 0.145 39.188 39.000 0.072 0.000 1.058 610 F HN 0.666 nan 8.300 nan 0.000 0.514 611 A N 0.803 123.741 122.820 0.197 0.000 2.603 611 A HA 0.366 4.686 4.320 -0.000 0.000 0.235 611 A C 1.174 178.835 177.584 0.129 0.000 1.035 611 A CA 0.630 52.764 52.037 0.163 0.000 0.755 611 A CB -0.254 18.820 19.000 0.124 0.000 0.954 611 A HN 0.591 nan 8.150 nan 0.000 0.511 612 G N 1.180 110.032 108.800 0.086 0.000 2.636 612 G HA2 0.404 4.364 3.960 -0.000 0.000 0.246 612 G HA3 0.404 4.364 3.960 -0.000 0.000 0.246 612 G C 0.044 174.953 174.900 0.015 0.000 1.216 612 G CA -0.331 44.788 45.100 0.030 0.000 0.854 612 G HN 0.923 nan 8.290 nan 0.000 0.572 613 E N 0.804 121.003 120.200 -0.001 0.000 2.415 613 E HA 0.168 4.518 4.350 -0.000 0.000 0.263 613 E C -1.777 174.803 176.600 -0.033 0.000 0.995 613 E CA -0.857 55.536 56.400 -0.012 0.000 0.915 613 E CB 0.569 30.261 29.700 -0.013 0.000 0.951 613 E HN 0.185 nan 8.360 nan 0.000 0.449 614 P HA 0.044 nan 4.420 nan 0.000 0.276 614 P C -0.873 176.403 177.300 -0.040 0.000 1.244 614 P CA -0.644 62.420 63.100 -0.060 0.000 0.801 614 P CB 0.487 32.142 31.700 -0.075 0.000 1.006 615 L N 3.875 125.086 121.223 -0.020 0.000 2.601 615 L HA 0.082 4.422 4.340 -0.000 0.000 0.277 615 L C -2.038 174.834 176.870 0.004 0.000 1.219 615 L CA -0.831 54.025 54.840 0.026 0.000 0.915 615 L CB -1.030 41.118 42.059 0.148 0.000 1.160 615 L HN 0.323 nan 8.230 nan 0.000 0.494 616 P HA -0.017 nan 4.420 nan 0.000 0.264 616 P C 0.226 177.511 177.300 -0.025 0.000 1.183 616 P CA 0.071 63.162 63.100 -0.016 0.000 0.763 616 P CB 0.469 32.166 31.700 -0.005 0.000 0.807 617 Q N 2.202 121.977 119.800 -0.042 0.000 2.133 617 Q HA -0.297 4.043 4.340 -0.000 0.000 0.208 617 Q C 1.697 177.675 176.000 -0.037 0.000 0.991 617 Q CA 1.924 57.695 55.803 -0.054 0.000 0.867 617 Q CB -0.373 28.332 28.738 -0.056 0.000 0.911 617 Q HN 0.517 nan 8.270 nan 0.000 0.417 618 N N 0.177 118.864 118.700 -0.021 0.000 2.242 618 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 618 N C 0.284 175.796 175.510 0.003 0.000 1.005 618 N CA 0.772 53.817 53.050 -0.008 0.000 0.877 618 N CB 0.023 38.509 38.487 -0.001 0.000 0.983 618 N HN 0.086 nan 8.380 nan 0.000 0.439 619 S N -0.685 115.017 115.700 0.004 0.000 2.548 619 S HA 0.105 4.575 4.470 -0.000 0.000 0.277 619 S C 1.405 176.022 174.600 0.027 0.000 1.315 619 S CA -0.204 58.014 58.200 0.029 0.000 1.050 619 S CB 1.293 64.516 63.200 0.038 0.000 0.918 619 S HN 0.323 nan 8.310 nan 0.000 0.497 620 S N 5.105 120.866 115.700 0.101 0.000 2.400 620 S HA -0.198 4.272 4.470 -0.000 0.000 0.232 620 S C 1.829 176.493 174.600 0.107 0.000 1.025 620 S CA 1.286 59.583 58.200 0.161 0.000 0.993 620 S CB -0.680 62.688 63.200 0.281 0.000 0.808 620 S HN 0.831 nan 8.310 nan 0.000 0.478 621 M N 1.469 121.070 119.600 0.002 0.000 2.279 621 M HA 0.011 4.491 4.480 -0.000 0.000 0.264 621 M C 2.238 178.170 176.300 -0.612 0.000 1.062 621 M CA 1.357 56.417 55.300 -0.401 0.000 1.099 621 M CB -0.508 31.951 32.600 -0.236 0.000 1.394 621 M HN 0.528 nan 8.290 nan 0.000 0.426 622 A N 0.247 122.788 122.820 -0.466 0.000 2.125 622 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 622 A C 1.874 179.041 177.584 -0.694 0.000 1.156 622 A CA 1.053 52.706 52.037 -0.640 0.000 0.671 622 A CB -0.558 18.283 19.000 -0.266 0.000 0.794 622 A HN 0.429 nan 8.150 nan 0.000 0.459 623 R N -0.463 119.745 120.500 -0.487 0.000 2.148 623 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 623 R C 2.184 178.253 176.300 -0.384 0.000 1.103 623 R CA 1.111 57.007 56.100 -0.339 0.000 0.983 623 R CB -1.319 28.863 30.300 -0.197 0.000 0.874 623 R HN 0.511 nan 8.270 nan 0.000 0.451 624 G N 0.431 108.875 108.800 -0.592 0.000 2.509 624 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 624 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 624 G C 0.319 175.091 174.900 -0.215 0.000 1.124 624 G CA 0.284 45.150 45.100 -0.390 0.000 0.776 624 G HN 0.370 nan 8.290 nan 0.000 0.547 625 F N -1.940 117.883 119.950 -0.211 0.000 2.664 625 F HA 0.577 5.104 4.527 -0.000 0.000 0.353 625 F C 0.856 176.250 175.800 -0.677 0.000 1.498 625 F CA -1.203 56.498 58.000 -0.498 0.000 1.109 625 F CB 0.089 38.716 39.000 -0.622 0.000 1.728 625 F HN -0.181 nan 8.300 nan 0.000 0.580 626 S N 0.808 116.355 115.700 -0.255 0.000 2.447 626 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 626 S C 1.818 176.464 174.600 0.075 0.000 1.006 626 S CA 1.472 59.621 58.200 -0.084 0.000 0.957 626 S CB -0.254 62.977 63.200 0.052 0.000 0.773 626 S HN 0.842 nan 8.310 nan 0.000 0.507 627 W N 1.668 122.993 121.300 0.040 0.000 2.465 627 W HA 0.024 4.684 4.660 0.000 0.000 0.268 627 W C 1.452 177.943 176.519 -0.047 0.000 1.242 627 W CA 0.777 57.993 57.345 -0.216 0.000 1.248 627 W CB -0.818 27.814 29.460 -1.379 0.000 1.118 627 W HN 0.371 nan 8.180 nan 0.000 0.587 628 E N 1.531 121.315 120.200 -0.694 0.000 2.130 628 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 628 E C 2.172 178.708 176.600 -0.107 0.000 0.998 628 E CA 1.809 57.918 56.400 -0.484 0.000 0.806 628 E CB -0.134 29.210 29.700 -0.593 0.000 0.738 628 E HN 0.334 nan 8.360 nan 0.000 0.459 629 R N -0.716 119.713 120.500 -0.119 0.000 2.235 629 R HA -0.045 4.295 4.340 -0.000 0.000 0.213 629 R C 0.184 176.315 176.300 -0.282 0.000 1.059 629 R CA 0.439 56.404 56.100 -0.226 0.000 0.997 629 R CB -0.063 30.012 30.300 -0.375 0.000 0.884 629 R HN 0.159 nan 8.270 nan 0.000 0.462 630 Y N 0.570 120.956 120.300 0.144 0.000 2.419 630 Y HA 0.150 4.700 4.550 0.000 0.000 0.328 630 Y C 1.615 177.662 175.900 0.245 0.000 1.162 630 Y CA -0.731 57.502 58.100 0.222 0.000 1.174 630 Y CB 1.240 39.891 38.460 0.318 0.000 1.228 630 Y HN -0.189 nan 8.280 nan 0.000 0.473 631 Q N 1.074 121.115 119.800 0.403 0.000 2.089 631 Q HA 0.118 4.458 4.340 -0.000 0.000 0.195 631 Q C -0.572 175.635 176.000 0.345 0.000 0.963 631 Q CA 0.746 56.737 55.803 0.314 0.000 0.834 631 Q CB 0.552 29.420 28.738 0.216 0.000 0.906 631 Q HN 0.561 nan 8.270 nan 0.000 0.452 632 L N -1.170 120.305 121.223 0.420 0.000 2.506 632 L HA 0.722 5.062 4.340 -0.000 0.000 0.257 632 L C -2.233 174.902 176.870 0.443 0.000 0.964 632 L CA -0.589 54.471 54.840 0.366 0.000 0.836 632 L CB 2.310 44.525 42.059 0.259 0.000 1.384 632 L HN -0.025 nan 8.230 nan 0.000 0.410 633 A N 3.418 126.475 122.820 0.396 0.000 2.520 633 A HA 0.828 5.148 4.320 -0.000 0.000 0.298 633 A C -1.877 175.943 177.584 0.393 0.000 1.051 633 A CA -0.537 51.705 52.037 0.341 0.000 0.690 633 A CB 1.925 21.067 19.000 0.237 0.000 1.281 633 A HN 0.587 nan 8.150 nan 0.000 0.402 634 V N 1.104 121.179 119.914 0.270 0.000 2.604 634 V HA 0.853 4.973 4.120 -0.000 0.000 0.305 634 V C 0.041 176.255 176.094 0.200 0.000 1.043 634 V CA -0.266 62.170 62.300 0.227 0.000 0.888 634 V CB 1.980 33.886 31.823 0.138 0.000 0.995 634 V HN 1.002 nan 8.190 nan 0.000 0.429 635 T N 2.861 117.554 114.554 0.231 0.000 2.923 635 T HA 0.318 4.668 4.350 -0.000 0.000 0.311 635 T C -0.845 173.932 174.700 0.128 0.000 1.183 635 T CA -0.522 61.715 62.100 0.228 0.000 1.020 635 T CB 1.977 71.145 68.868 0.499 0.000 1.165 635 T HN 0.679 nan 8.240 nan 0.000 0.482 636 Q N 2.060 121.891 119.800 0.051 0.000 2.311 636 Q HA 0.147 4.487 4.340 -0.000 0.000 0.272 636 Q C 0.157 176.167 176.000 0.017 0.000 1.012 636 Q CA 0.173 55.974 55.803 -0.002 0.000 0.891 636 Q CB 0.756 29.471 28.738 -0.039 0.000 1.201 636 Q HN 0.288 nan 8.270 nan 0.000 0.391 637 R N 3.830 124.328 120.500 -0.003 0.000 2.216 637 R HA 0.171 4.511 4.340 -0.000 0.000 0.332 637 R C -0.849 175.433 176.300 -0.030 0.000 1.056 637 R CA 0.082 56.185 56.100 0.005 0.000 0.901 637 R CB 0.385 30.669 30.300 -0.027 0.000 1.039 637 R HN 0.491 nan 8.270 nan 0.000 0.456 638 K N 3.051 123.426 120.400 -0.042 0.000 2.267 638 K HA 0.208 4.528 4.320 -0.000 0.000 0.246 638 K C 0.510 177.087 176.600 -0.038 0.000 0.954 638 K CA -0.974 55.275 56.287 -0.063 0.000 0.824 638 K CB 1.926 34.360 32.500 -0.110 0.000 1.167 638 K HN 0.467 nan 8.250 nan 0.000 0.431 639 E N 1.611 121.797 120.200 -0.023 0.000 2.072 639 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 639 E C 1.009 177.613 176.600 0.008 0.000 0.985 639 E CA 1.531 57.936 56.400 0.009 0.000 0.801 639 E CB 0.177 29.884 29.700 0.013 0.000 0.750 639 E HN 0.548 nan 8.360 nan 0.000 0.452 640 E N 0.945 121.131 120.200 -0.022 0.000 2.396 640 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 640 E C 0.324 176.883 176.600 -0.069 0.000 1.023 640 E CA 0.704 57.087 56.400 -0.029 0.000 0.857 640 E CB -0.092 29.583 29.700 -0.041 0.000 0.775 640 E HN 0.258 nan 8.360 nan 0.000 0.525 641 E N 0.355 120.473 120.200 -0.136 0.000 3.659 641 E HA 0.077 4.427 4.350 -0.000 0.000 0.217 641 E C -1.831 174.776 176.600 0.011 0.000 1.141 641 E CA -1.115 55.101 56.400 -0.308 0.000 1.340 641 E CB 0.732 29.902 29.700 -0.884 0.000 1.295 641 E HN 0.146 nan 8.360 nan 0.000 0.434 642 P HA -0.020 nan 4.420 nan 0.000 0.220 642 P C 0.216 177.730 177.300 0.357 0.000 1.152 642 P CA 0.593 63.830 63.100 0.228 0.000 0.812 642 P CB 0.611 32.424 31.700 0.188 0.000 0.792 643 S N -1.856 114.082 115.700 0.396 0.000 2.556 643 S HA 0.335 4.805 4.470 -0.000 0.000 0.271 643 S C 0.519 175.344 174.600 0.376 0.000 1.135 643 S CA -0.354 58.078 58.200 0.386 0.000 0.858 643 S CB 1.757 65.100 63.200 0.239 0.000 1.114 643 S HN -0.138 nan 8.310 nan 0.000 0.468 644 S N 0.741 116.569 115.700 0.213 0.000 2.470 644 S HA 0.311 4.781 4.470 -0.000 0.000 0.222 644 S C 0.763 175.328 174.600 -0.060 0.000 1.024 644 S CA 0.579 58.742 58.200 -0.061 0.000 0.931 644 S CB 0.078 63.186 63.200 -0.153 0.000 0.791 644 S HN 0.574 nan 8.310 nan 0.000 0.513 645 S N -0.740 114.967 115.700 0.013 0.000 2.900 645 S HA 0.779 5.249 4.470 -0.000 0.000 0.320 645 S C -1.214 173.441 174.600 0.092 0.000 1.130 645 S CA -0.312 57.933 58.200 0.075 0.000 0.863 645 S CB 1.709 64.940 63.200 0.053 0.000 1.295 645 S HN 0.301 nan 8.310 nan 0.000 0.596 646 S N -0.568 115.189 115.700 0.095 0.000 2.552 646 S HA 0.362 4.832 4.470 -0.000 0.000 0.272 646 S C 0.238 174.815 174.600 -0.037 0.000 1.150 646 S CA -0.036 58.199 58.200 0.059 0.000 0.849 646 S CB 1.057 64.346 63.200 0.149 0.000 1.113 646 S HN 0.881 nan 8.310 nan 0.000 0.458 647 V N 3.140 122.880 119.914 -0.289 0.000 2.867 647 V HA 0.051 4.171 4.120 -0.000 0.000 0.260 647 V C 0.929 176.763 176.094 -0.433 0.000 1.099 647 V CA 1.885 63.880 62.300 -0.507 0.000 1.122 647 V CB -0.809 30.355 31.823 -1.098 0.000 0.708 647 V HN 0.770 nan 8.190 nan 0.000 0.490 648 F N -0.038 119.907 119.950 -0.009 0.000 2.727 648 F HA 0.257 4.784 4.527 -0.000 0.000 0.302 648 F C 1.823 177.635 175.800 0.019 0.000 1.097 648 F CA 0.106 58.099 58.000 -0.011 0.000 1.330 648 F CB -0.688 38.321 39.000 0.015 0.000 1.084 648 F HN 0.230 nan 8.300 nan 0.000 0.578 649 N N 0.212 119.010 118.700 0.164 0.000 2.250 649 N HA -0.141 4.599 4.740 -0.000 0.000 0.181 649 N C 1.900 177.459 175.510 0.082 0.000 1.017 649 N CA 0.763 53.882 53.050 0.115 0.000 0.866 649 N CB -0.378 38.182 38.487 0.121 0.000 0.985 649 N HN 0.181 nan 8.380 nan 0.000 0.429 650 Q N 1.116 120.978 119.800 0.104 0.000 2.062 650 Q HA -0.076 4.264 4.340 -0.000 0.000 0.209 650 Q C 0.740 176.777 176.000 0.063 0.000 0.996 650 Q CA 1.702 57.573 55.803 0.113 0.000 0.859 650 Q CB -0.274 28.542 28.738 0.130 0.000 0.920 650 Q HN 0.267 nan 8.270 nan 0.000 0.415 651 N N 0.082 118.821 118.700 0.066 0.000 2.336 651 N HA 0.032 4.772 4.740 -0.000 0.000 0.189 651 N C -0.807 174.798 175.510 0.159 0.000 1.113 651 N CA 0.566 53.672 53.050 0.093 0.000 0.858 651 N CB 0.579 39.107 38.487 0.067 0.000 0.970 651 N HN 0.237 nan 8.380 nan 0.000 0.471 652 D N -0.605 119.858 120.400 0.106 0.000 2.826 652 D HA 0.119 4.759 4.640 -0.000 0.000 0.239 652 D C -2.260 174.027 176.300 -0.021 0.000 1.329 652 D CA -1.034 53.063 54.000 0.161 0.000 0.854 652 D CB 1.084 42.090 40.800 0.343 0.000 1.494 652 D HN -0.059 nan 8.370 nan 0.000 0.540 653 P HA 0.022 nan 4.420 nan 0.000 0.233 653 P C 1.427 178.495 177.300 -0.386 0.000 1.167 653 P CA 0.320 63.160 63.100 -0.432 0.000 0.770 653 P CB 0.106 31.419 31.700 -0.644 0.000 0.837 654 W N 0.956 122.242 121.300 -0.024 0.000 2.443 654 W HA 0.223 4.883 4.660 -0.000 0.000 0.296 654 W C 0.938 177.442 176.519 -0.024 0.000 1.202 654 W CA 0.456 57.778 57.345 -0.039 0.000 1.312 654 W CB -0.767 28.676 29.460 -0.029 0.000 1.120 654 W HN -0.071 nan 8.180 nan 0.000 0.536 655 A N 1.894 124.863 122.820 0.247 0.000 2.540 655 A HA 0.490 4.810 4.320 -0.000 0.000 0.340 655 A C -2.520 175.128 177.584 0.107 0.000 1.424 655 A CA -1.256 50.870 52.037 0.149 0.000 0.940 655 A CB -0.195 18.902 19.000 0.162 0.000 1.149 655 A HN -0.246 nan 8.150 nan 0.000 0.505 656 P HA 0.273 nan 4.420 nan 0.000 0.280 656 P C 0.835 178.184 177.300 0.082 0.000 1.244 656 P CA -0.011 63.112 63.100 0.038 0.000 0.784 656 P CB 1.148 32.836 31.700 -0.021 0.000 0.913 657 T N 0.248 114.876 114.554 0.124 0.000 2.951 657 T HA 0.064 4.414 4.350 -0.000 0.000 0.268 657 T C 0.744 175.528 174.700 0.139 0.000 1.073 657 T CA 0.920 63.129 62.100 0.181 0.000 1.134 657 T CB 0.022 69.065 68.868 0.292 0.000 0.884 657 T HN 0.196 nan 8.240 nan 0.000 0.479 658 V N 1.334 121.310 119.914 0.102 0.000 2.808 658 V HA 0.480 4.600 4.120 -0.000 0.000 0.308 658 V C -1.675 174.431 176.094 0.019 0.000 1.099 658 V CA -1.170 61.172 62.300 0.069 0.000 0.920 658 V CB 2.367 34.243 31.823 0.088 0.000 1.014 658 V HN 0.095 nan 8.190 nan 0.000 0.425 659 D N 2.366 122.747 120.400 -0.033 0.000 2.469 659 D HA 0.289 4.929 4.640 -0.000 0.000 0.251 659 D C 0.338 176.499 176.300 -0.233 0.000 1.173 659 D CA -0.536 53.412 54.000 -0.086 0.000 0.882 659 D CB 1.275 42.036 40.800 -0.064 0.000 1.129 659 D HN 0.317 nan 8.370 nan 0.000 0.549 660 F N 3.481 123.179 119.950 -0.420 0.000 2.161 660 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 660 F C 2.202 177.627 175.800 -0.625 0.000 1.089 660 F CA 2.023 59.544 58.000 -0.800 0.000 1.282 660 F CB -0.262 38.424 39.000 -0.522 0.000 1.010 660 F HN 0.403 nan 8.300 nan 0.000 0.485 661 S N -0.520 114.940 115.700 -0.399 0.000 2.440 661 S HA -0.239 4.231 4.470 -0.000 0.000 0.238 661 S C 1.695 176.107 174.600 -0.312 0.000 1.010 661 S CA 1.429 59.428 58.200 -0.336 0.000 0.972 661 S CB -0.848 62.311 63.200 -0.069 0.000 0.774 661 S HN 0.474 nan 8.310 nan 0.000 0.501 662 D N 1.062 121.309 120.400 -0.254 0.000 2.221 662 D HA -0.029 4.611 4.640 -0.000 0.000 0.204 662 D C 1.432 177.759 176.300 0.045 0.000 0.982 662 D CA 0.950 54.910 54.000 -0.066 0.000 0.857 662 D CB -0.376 40.447 40.800 0.039 0.000 0.934 662 D HN 0.606 nan 8.370 nan 0.000 0.475 663 F N 0.248 119.961 119.950 -0.395 0.000 2.367 663 F HA 0.070 4.597 4.527 0.000 0.000 0.298 663 F C 1.194 176.796 175.800 -0.330 0.000 1.094 663 F CA -0.198 57.582 58.000 -0.367 0.000 1.409 663 F CB 0.252 38.919 39.000 -0.555 0.000 1.064 663 F HN -0.218 nan 8.300 nan 0.000 0.528 664 I N 2.897 123.331 120.570 -0.226 0.000 2.294 664 I HA 0.012 4.182 4.170 -0.000 0.000 0.295 664 I C 0.088 176.141 176.117 -0.107 0.000 1.098 664 I CA 0.048 61.232 61.300 -0.193 0.000 1.277 664 I CB 0.115 37.938 38.000 -0.295 0.000 1.434 664 I HN 0.175 nan 8.210 nan 0.000 0.498 665 N N 5.416 124.076 118.700 -0.067 0.000 2.471 665 N HA 0.016 4.756 4.740 -0.000 0.000 0.270 665 N C -0.044 175.443 175.510 -0.040 0.000 1.490 665 N CA -0.469 52.553 53.050 -0.046 0.000 0.850 665 N CB -0.200 38.266 38.487 -0.034 0.000 1.411 665 N HN 0.502 nan 8.380 nan 0.000 0.488 666 N N 0.632 119.306 118.700 -0.042 0.000 2.771 666 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 666 N C -1.274 174.214 175.510 -0.037 0.000 1.069 666 N CA 1.013 54.040 53.050 -0.038 0.000 0.688 666 N CB -0.871 37.597 38.487 -0.032 0.000 0.928 666 N HN 0.663 nan 8.380 nan 0.000 0.551 667 E N -0.914 119.261 120.200 -0.041 0.000 2.285 667 E HA 0.468 4.818 4.350 -0.000 0.000 0.254 667 E C 0.086 176.656 176.600 -0.050 0.000 1.011 667 E CA -0.863 55.510 56.400 -0.044 0.000 0.873 667 E CB 0.811 30.482 29.700 -0.047 0.000 1.229 667 E HN 0.178 nan 8.360 nan 0.000 0.422 668 T N 0.386 114.905 114.554 -0.060 0.000 2.904 668 T HA 0.340 4.690 4.350 -0.000 0.000 0.290 668 T C 0.477 175.118 174.700 -0.097 0.000 1.018 668 T CA -0.342 61.713 62.100 -0.074 0.000 1.075 668 T CB 0.190 69.011 68.868 -0.079 0.000 0.986 668 T HN 0.492 nan 8.240 nan 0.000 0.523 669 I N 0.847 121.349 120.570 -0.113 0.000 3.621 669 I HA 0.603 4.773 4.170 -0.000 0.000 0.325 669 I C 0.335 176.301 176.117 -0.252 0.000 1.554 669 I CA -0.925 60.287 61.300 -0.146 0.000 1.053 669 I CB 0.248 38.203 38.000 -0.075 0.000 1.302 669 I HN 0.458 nan 8.210 nan 0.000 0.518 670 A N 1.648 124.288 122.820 -0.300 0.000 2.316 670 A HA 0.648 4.968 4.320 -0.000 0.000 0.311 670 A C 1.164 178.147 177.584 -1.001 0.000 1.339 670 A CA 0.245 51.959 52.037 -0.538 0.000 0.960 670 A CB -0.530 18.428 19.000 -0.071 0.000 1.152 670 A HN 1.179 nan 8.150 nan 0.000 0.547 671 G N 2.352 109.898 108.800 -2.090 0.000 2.353 671 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.294 671 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.294 671 G C -0.183 174.247 174.900 -0.783 0.000 1.077 671 G CA 0.360 44.300 45.100 -1.933 0.000 1.098 671 G HN 0.709 nan 8.290 nan 0.000 0.511 672 K N -0.435 119.628 120.400 -0.561 0.000 2.439 672 K HA 0.467 4.787 4.320 -0.000 0.000 0.260 672 K C -0.790 175.692 176.600 -0.197 0.000 1.032 672 K CA -1.132 54.979 56.287 -0.294 0.000 0.882 672 K CB 1.056 33.422 32.500 -0.224 0.000 1.420 672 K HN 0.113 nan 8.250 nan 0.000 0.455 673 D N 1.950 122.273 120.400 -0.128 0.000 2.346 673 D HA 0.189 4.829 4.640 -0.000 0.000 0.260 673 D C -0.481 175.774 176.300 -0.074 0.000 1.252 673 D CA 0.103 54.051 54.000 -0.086 0.000 0.895 673 D CB 0.085 40.837 40.800 -0.079 0.000 1.097 673 D HN 0.287 nan 8.370 nan 0.000 0.489 674 L N 2.862 124.051 121.223 -0.057 0.000 2.334 674 L HA 0.624 4.964 4.340 -0.000 0.000 0.270 674 L C -0.168 176.669 176.870 -0.057 0.000 1.018 674 L CA -1.215 53.601 54.840 -0.040 0.000 0.811 674 L CB 2.060 44.106 42.059 -0.021 0.000 1.271 674 L HN 0.119 nan 8.230 nan 0.000 0.443 675 V N 1.225 121.095 119.914 -0.073 0.000 2.655 675 V HA 0.727 4.847 4.120 -0.000 0.000 0.301 675 V C -0.538 175.372 176.094 -0.306 0.000 1.082 675 V CA -0.283 61.877 62.300 -0.234 0.000 0.899 675 V CB 1.777 33.417 31.823 -0.305 0.000 1.014 675 V HN 0.861 nan 8.190 nan 0.000 0.429 676 A N 5.970 128.576 122.820 -0.356 0.000 2.293 676 A HA 0.860 5.180 4.320 -0.000 0.000 0.302 676 A C -1.367 175.922 177.584 -0.493 0.000 1.119 676 A CA -0.441 51.448 52.037 -0.246 0.000 0.823 676 A CB 0.724 19.624 19.000 -0.167 0.000 1.097 676 A HN 0.952 nan 8.150 nan 0.000 0.491 677 W N 1.425 122.702 121.300 -0.039 0.000 2.499 677 W HA 0.524 5.184 4.660 0.000 0.000 0.320 677 W C -1.028 175.385 176.519 -0.177 0.000 1.010 677 W CA -0.514 56.733 57.345 -0.162 0.000 1.267 677 W CB 1.856 31.345 29.460 0.049 0.000 1.316 677 W HN 0.406 nan 8.180 nan 0.000 0.431 678 V N 3.347 123.155 119.914 -0.175 0.000 2.384 678 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 678 V C 0.106 176.293 176.094 0.156 0.000 1.020 678 V CA -0.633 61.621 62.300 -0.077 0.000 0.850 678 V CB 1.346 32.879 31.823 -0.483 0.000 0.987 678 V HN 0.476 nan 8.190 nan 0.000 0.436 679 T N 4.141 118.921 114.554 0.376 0.000 2.875 679 T HA 0.789 5.139 4.350 -0.000 0.000 0.284 679 T C 0.004 174.953 174.700 0.416 0.000 0.995 679 T CA -0.240 62.181 62.100 0.535 0.000 1.060 679 T CB 1.630 70.865 68.868 0.612 0.000 0.967 679 T HN 1.016 nan 8.240 nan 0.000 0.476 680 A N 1.365 124.467 122.820 0.470 0.000 2.520 680 A HA 0.967 5.287 4.320 -0.000 0.000 0.298 680 A C -0.195 177.652 177.584 0.438 0.000 1.051 680 A CA -0.350 51.931 52.037 0.406 0.000 0.690 680 A CB 1.766 21.044 19.000 0.464 0.000 1.281 680 A HN 1.283 nan 8.150 nan 0.000 0.402 681 G N -0.237 108.776 108.800 0.354 0.000 2.325 681 G HA2 0.679 4.639 3.960 -0.000 0.000 0.297 681 G HA3 0.679 4.639 3.960 -0.000 0.000 0.297 681 G C -1.121 174.008 174.900 0.383 0.000 1.448 681 G CA 0.082 45.388 45.100 0.342 0.000 0.838 681 G HN 1.974 nan 8.290 nan 0.000 0.579 682 F N -1.548 118.510 119.950 0.181 0.000 2.754 682 F HA 0.896 5.423 4.527 -0.000 0.000 0.320 682 F C -1.146 174.712 175.800 0.098 0.000 1.156 682 F CA -1.594 56.498 58.000 0.154 0.000 0.950 682 F CB 1.579 40.660 39.000 0.135 0.000 1.388 682 F HN 0.651 nan 8.300 nan 0.000 0.485 683 L N 1.237 122.588 121.223 0.212 0.000 2.334 683 L HA 0.537 4.877 4.340 -0.000 0.000 0.275 683 L C -1.319 175.628 176.870 0.128 0.000 1.036 683 L CA -0.203 54.664 54.840 0.045 0.000 0.807 683 L CB 1.447 43.518 42.059 0.020 0.000 1.231 683 L HN 0.850 nan 8.230 nan 0.000 0.438 684 H N 5.082 124.014 119.070 -0.231 0.000 2.970 684 H HA 0.464 5.020 4.556 -0.000 0.000 0.315 684 H C -1.203 173.870 175.328 -0.426 0.000 0.992 684 H CA -0.803 55.065 56.048 -0.300 0.000 1.363 684 H CB 0.993 30.493 29.762 -0.437 0.000 1.532 684 H HN 0.618 nan 8.280 nan 0.000 0.514 685 I N 7.801 128.341 120.570 -0.050 0.000 2.287 685 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 685 I C -2.226 173.817 176.117 -0.123 0.000 1.069 685 I CA -1.956 59.261 61.300 -0.137 0.000 1.237 685 I CB 1.028 38.961 38.000 -0.110 0.000 1.418 685 I HN 0.426 nan 8.210 nan 0.000 0.481 686 P HA 0.093 nan 4.420 nan 0.000 0.270 686 P C -1.013 176.363 177.300 0.127 0.000 1.223 686 P CA 0.398 63.469 63.100 -0.048 0.000 0.785 686 P CB 0.446 32.088 31.700 -0.097 0.000 0.923 687 H N -1.485 117.630 119.070 0.075 0.000 3.014 687 H HA 0.534 5.090 4.556 -0.000 0.000 0.337 687 H C 0.532 175.886 175.328 0.045 0.000 1.320 687 H CA -1.027 55.050 56.048 0.048 0.000 1.128 687 H CB 0.020 29.807 29.762 0.042 0.000 1.862 687 H HN 0.318 nan 8.280 nan 0.000 0.536 688 A N 0.450 123.304 122.820 0.056 0.000 2.042 688 A HA -0.219 4.101 4.320 -0.000 0.000 0.222 688 A C 1.323 178.861 177.584 -0.076 0.000 1.167 688 A CA 2.081 54.112 52.037 -0.010 0.000 0.649 688 A CB -0.784 18.206 19.000 -0.017 0.000 0.809 688 A HN 0.728 nan 8.150 nan 0.000 0.457 689 E N -0.055 119.995 120.200 -0.250 0.000 2.494 689 E HA 0.020 4.370 4.350 -0.000 0.000 0.193 689 E C 0.340 176.846 176.600 -0.156 0.000 1.074 689 E CA 0.353 56.599 56.400 -0.256 0.000 0.867 689 E CB 0.125 29.581 29.700 -0.406 0.000 0.924 689 E HN 0.477 nan 8.360 nan 0.000 0.502 690 D N -0.256 120.122 120.400 -0.035 0.000 2.349 690 D HA 0.041 4.681 4.640 -0.000 0.000 0.214 690 D C -0.082 176.242 176.300 0.041 0.000 1.063 690 D CA 0.183 54.232 54.000 0.081 0.000 0.847 690 D CB 0.537 41.495 40.800 0.264 0.000 0.933 690 D HN 0.096 nan 8.370 nan 0.000 0.513 691 I N 2.607 123.190 120.570 0.022 0.000 2.321 691 I HA 0.148 4.318 4.170 -0.000 0.000 0.291 691 I C -1.277 174.847 176.117 0.012 0.000 0.998 691 I CA -1.925 59.397 61.300 0.037 0.000 1.227 691 I CB 1.454 39.483 38.000 0.048 0.000 1.368 691 I HN -0.231 nan 8.210 nan 0.000 0.466 692 P HA 0.023 nan 4.420 nan 0.000 0.219 692 P C 0.163 177.319 177.300 -0.240 0.000 1.154 692 P CA 0.841 63.939 63.100 -0.003 0.000 0.826 692 P CB 0.643 32.347 31.700 0.007 0.000 0.795 693 N N -0.540 118.004 118.700 -0.259 0.000 2.319 693 N HA 0.193 4.933 4.740 -0.000 0.000 0.305 693 N C -0.485 174.957 175.510 -0.114 0.000 1.103 693 N CA -0.253 52.619 53.050 -0.296 0.000 0.815 693 N CB 0.924 39.215 38.487 -0.327 0.000 1.288 693 N HN -0.190 nan 8.380 nan 0.000 0.493 694 T N 0.629 115.154 114.554 -0.048 0.000 2.934 694 T HA 0.138 4.488 4.350 -0.000 0.000 0.306 694 T C 0.535 175.212 174.700 -0.039 0.000 1.042 694 T CA -0.012 62.105 62.100 0.029 0.000 1.145 694 T CB 0.349 69.294 68.868 0.128 0.000 0.982 694 T HN 0.048 nan 8.240 nan 0.000 0.544 695 V N 3.357 123.247 119.914 -0.041 0.000 2.834 695 V HA 0.281 4.401 4.120 -0.000 0.000 0.313 695 V C 1.809 177.856 176.094 -0.077 0.000 1.060 695 V CA -0.322 61.936 62.300 -0.069 0.000 0.989 695 V CB 1.802 33.583 31.823 -0.070 0.000 1.041 695 V HN 1.144 nan 8.190 nan 0.000 0.459 696 T N -0.202 114.300 114.554 -0.087 0.000 2.942 696 T HA -0.015 4.335 4.350 -0.000 0.000 0.265 696 T C 0.651 175.329 174.700 -0.037 0.000 1.062 696 T CA 0.375 62.438 62.100 -0.062 0.000 1.139 696 T CB -0.251 68.500 68.868 -0.196 0.000 0.883 696 T HN 0.301 nan 8.240 nan 0.000 0.468 697 V N 2.760 122.633 119.914 -0.069 0.000 2.506 697 V HA 0.393 4.513 4.120 -0.000 0.000 0.296 697 V C 1.833 177.871 176.094 -0.094 0.000 1.004 697 V CA 0.900 63.163 62.300 -0.062 0.000 1.150 697 V CB -0.796 30.988 31.823 -0.065 0.000 0.911 697 V HN 0.917 nan 8.190 nan 0.000 0.476 698 G N 4.496 113.247 108.800 -0.082 0.000 2.241 698 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.244 698 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.244 698 G C 0.455 175.199 174.900 -0.259 0.000 0.998 698 G CA 0.451 45.458 45.100 -0.156 0.000 0.621 698 G HN 0.722 nan 8.290 nan 0.000 0.519 699 N N 0.922 119.446 118.700 -0.294 0.000 2.276 699 N HA 0.430 5.170 4.740 -0.000 0.000 0.212 699 N C 1.086 176.300 175.510 -0.494 0.000 1.127 699 N CA 0.322 53.029 53.050 -0.571 0.000 0.834 699 N CB 0.617 38.723 38.487 -0.635 0.000 1.014 699 N HN 0.561 nan 8.380 nan 0.000 0.491 700 G N 0.589 109.194 108.800 -0.324 0.000 2.361 700 G HA2 0.375 4.335 3.960 -0.000 0.000 0.260 700 G HA3 0.375 4.335 3.960 -0.000 0.000 0.260 700 G C -0.446 174.206 174.900 -0.414 0.000 1.261 700 G CA 0.069 44.778 45.100 -0.652 0.000 0.897 700 G HN 0.010 nan 8.290 nan 0.000 0.499 701 V N 1.792 121.422 119.914 -0.472 0.000 2.925 701 V HA 0.980 5.100 4.120 -0.000 0.000 0.311 701 V C 0.675 176.659 176.094 -0.183 0.000 1.104 701 V CA 0.632 62.802 62.300 -0.217 0.000 0.954 701 V CB 1.739 33.524 31.823 -0.062 0.000 1.022 701 V HN 1.411 nan 8.190 nan 0.000 0.427 702 G N 2.704 111.409 108.800 -0.160 0.000 2.564 702 G HA2 0.447 4.407 3.960 -0.000 0.000 0.139 702 G HA3 0.447 4.407 3.960 -0.000 0.000 0.139 702 G C -1.467 173.306 174.900 -0.212 0.000 1.147 702 G CA 0.252 45.153 45.100 -0.331 0.000 1.031 702 G HN 1.457 nan 8.290 nan 0.000 0.482 703 F N -2.105 117.587 119.950 -0.430 0.000 2.741 703 F HA 0.825 5.352 4.527 -0.000 0.000 0.311 703 F C -1.768 173.770 175.800 -0.436 0.000 1.149 703 F CA -1.881 55.930 58.000 -0.315 0.000 0.930 703 F CB 0.970 39.834 39.000 -0.226 0.000 1.312 703 F HN 0.453 nan 8.300 nan 0.000 0.450 704 F N 1.929 121.910 119.950 0.051 0.000 2.450 704 F HA 0.703 5.230 4.527 -0.000 0.000 0.332 704 F C -0.460 175.412 175.800 0.120 0.000 1.093 704 F CA -0.841 57.161 58.000 0.004 0.000 1.003 704 F CB 1.936 40.916 39.000 -0.033 0.000 1.151 704 F HN 0.326 nan 8.300 nan 0.000 0.474 705 L N 4.966 126.362 121.223 0.287 0.000 2.298 705 L HA 0.577 4.917 4.340 -0.000 0.000 0.284 705 L C -0.352 176.738 176.870 0.367 0.000 1.013 705 L CA -0.578 54.443 54.840 0.301 0.000 0.824 705 L CB 1.155 43.351 42.059 0.228 0.000 1.221 705 L HN 0.529 nan 8.230 nan 0.000 0.418 706 R N 4.026 124.665 120.500 0.232 0.000 2.621 706 R HA 0.472 4.812 4.340 -0.000 0.000 0.292 706 R C -2.647 173.393 176.300 -0.434 0.000 0.969 706 R CA -1.887 54.207 56.100 -0.009 0.000 0.887 706 R CB 2.772 33.041 30.300 -0.051 0.000 1.180 706 R HN 0.250 nan 8.270 nan 0.000 0.450 707 P HA 0.008 nan 4.420 nan 0.000 0.271 707 P C -1.239 175.914 177.300 -0.245 0.000 1.216 707 P CA 0.076 62.644 63.100 -0.886 0.000 0.776 707 P CB 0.474 31.941 31.700 -0.387 0.000 0.881 708 Y N 3.265 123.366 120.300 -0.332 0.000 2.422 708 Y HA 0.197 4.747 4.550 -0.000 0.000 0.344 708 Y C 0.163 175.964 175.900 -0.165 0.000 1.097 708 Y CA -0.442 57.512 58.100 -0.243 0.000 1.307 708 Y CB -0.056 38.165 38.460 -0.399 0.000 1.102 708 Y HN 0.416 nan 8.280 nan 0.000 0.520 709 N N 3.132 121.643 118.700 -0.315 0.000 2.714 709 N HA -0.315 4.425 4.740 -0.000 0.000 0.250 709 N C 0.647 176.123 175.510 -0.056 0.000 1.117 709 N CA 1.540 54.483 53.050 -0.177 0.000 0.719 709 N CB -1.600 36.731 38.487 -0.261 0.000 1.081 709 N HN 0.717 nan 8.380 nan 0.000 0.557 710 F N 0.377 120.200 119.950 -0.212 0.000 2.118 710 F HA 0.156 4.683 4.527 -0.000 0.000 0.293 710 F C 1.033 176.615 175.800 -0.364 0.000 1.102 710 F CA 0.955 58.777 58.000 -0.296 0.000 1.247 710 F CB 0.060 38.776 39.000 -0.473 0.000 1.017 710 F HN -0.008 nan 8.300 nan 0.000 0.475 711 F N 0.783 120.831 119.950 0.162 0.000 2.348 711 F HA 0.183 4.710 4.527 -0.000 0.000 0.308 711 F C 1.492 177.295 175.800 0.005 0.000 1.175 711 F CA -0.652 57.389 58.000 0.067 0.000 1.080 711 F CB 0.130 39.243 39.000 0.188 0.000 1.341 711 F HN -0.186 nan 8.300 nan 0.000 0.518 712 D N -0.413 120.119 120.400 0.219 0.000 2.346 712 D HA 0.072 4.712 4.640 -0.000 0.000 0.206 712 D C -0.229 176.259 176.300 0.314 0.000 1.001 712 D CA 0.648 54.725 54.000 0.128 0.000 0.871 712 D CB 0.116 40.869 40.800 -0.078 0.000 0.943 712 D HN 0.649 nan 8.370 nan 0.000 0.518 713 E N -0.483 119.876 120.200 0.265 0.000 2.429 713 E HA 0.197 4.547 4.350 -0.000 0.000 0.280 713 E C -1.450 175.217 176.600 0.111 0.000 1.068 713 E CA -0.955 55.539 56.400 0.158 0.000 0.837 713 E CB 0.663 30.395 29.700 0.052 0.000 1.357 713 E HN -0.312 nan 8.360 nan 0.000 0.455 714 D N 1.054 121.477 120.400 0.038 0.000 2.434 714 D HA 0.081 4.721 4.640 -0.000 0.000 0.252 714 D C -1.623 174.682 176.300 0.008 0.000 1.185 714 D CA -1.711 52.295 54.000 0.010 0.000 0.886 714 D CB 1.009 41.816 40.800 0.012 0.000 1.148 714 D HN 0.113 nan 8.370 nan 0.000 0.483 715 P HA -0.073 nan 4.420 nan 0.000 0.226 715 P C 1.020 178.412 177.300 0.153 0.000 1.153 715 P CA 0.656 63.781 63.100 0.043 0.000 0.777 715 P CB 0.104 31.729 31.700 -0.126 0.000 0.794 716 S N -1.582 114.178 115.700 0.100 0.000 2.522 716 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 716 S C 1.744 176.372 174.600 0.047 0.000 0.986 716 S CA -0.024 58.234 58.200 0.097 0.000 0.929 716 S CB -1.544 61.712 63.200 0.093 0.000 0.769 716 S HN 0.021 nan 8.310 nan 0.000 0.529 717 F N 2.679 122.541 119.950 -0.147 0.000 2.120 717 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 717 F C 1.109 176.708 175.800 -0.334 0.000 1.095 717 F CA 1.117 58.938 58.000 -0.300 0.000 1.249 717 F CB -0.650 38.054 39.000 -0.494 0.000 0.995 717 F HN 0.246 nan 8.300 nan 0.000 0.480 718 Y N 0.397 120.579 120.300 -0.197 0.000 2.496 718 Y HA 0.230 4.780 4.550 0.000 0.000 0.313 718 Y C 1.258 177.062 175.900 -0.160 0.000 1.184 718 Y CA 0.045 57.990 58.100 -0.259 0.000 1.275 718 Y CB -1.150 37.250 38.460 -0.100 0.000 1.103 718 Y HN -0.039 nan 8.280 nan 0.000 0.513 719 S N 0.369 116.050 115.700 -0.031 0.000 2.576 719 S HA 0.390 4.860 4.470 -0.000 0.000 0.276 719 S C 1.534 176.126 174.600 -0.013 0.000 1.339 719 S CA 0.065 58.270 58.200 0.009 0.000 1.039 719 S CB 1.121 64.339 63.200 0.030 0.000 0.902 719 S HN 0.480 nan 8.310 nan 0.000 0.516 720 A N 3.253 126.078 122.820 0.008 0.000 1.968 720 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 720 A C 1.414 179.012 177.584 0.023 0.000 1.169 720 A CA 1.354 53.396 52.037 0.008 0.000 0.638 720 A CB -0.459 18.548 19.000 0.012 0.000 0.812 720 A HN 0.855 nan 8.150 nan 0.000 0.446 721 D N 0.014 120.437 120.400 0.038 0.000 2.340 721 D HA 0.072 4.712 4.640 -0.000 0.000 0.220 721 D C 1.025 177.364 176.300 0.065 0.000 1.039 721 D CA 0.643 54.677 54.000 0.057 0.000 0.866 721 D CB -0.182 40.660 40.800 0.070 0.000 0.913 721 D HN 0.382 nan 8.370 nan 0.000 0.523 722 S N 0.464 116.189 115.700 0.041 0.000 2.580 722 S HA 0.159 4.629 4.470 -0.000 0.000 0.266 722 S C 0.034 174.687 174.600 0.088 0.000 1.354 722 S CA -0.172 58.054 58.200 0.043 0.000 1.008 722 S CB 0.541 63.722 63.200 -0.031 0.000 0.898 722 S HN 0.016 nan 8.310 nan 0.000 0.555 723 I N 2.894 123.543 120.570 0.132 0.000 2.569 723 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 723 I C -1.224 175.030 176.117 0.229 0.000 1.088 723 I CA -0.489 60.935 61.300 0.207 0.000 1.047 723 I CB 1.687 39.850 38.000 0.271 0.000 1.237 723 I HN 0.920 nan 8.210 nan 0.000 0.421 724 Y N 7.843 128.197 120.300 0.089 0.000 2.519 724 Y HA 0.693 5.243 4.550 -0.000 0.000 0.336 724 Y C -1.713 174.255 175.900 0.113 0.000 1.089 724 Y CA -1.034 57.060 58.100 -0.010 0.000 1.025 724 Y CB 1.908 40.367 38.460 -0.002 0.000 1.318 724 Y HN 0.426 nan 8.280 nan 0.000 0.452 725 F N 2.051 121.678 119.950 -0.539 0.000 2.703 725 F HA 0.726 5.253 4.527 -0.000 0.000 0.308 725 F C -1.405 174.098 175.800 -0.494 0.000 1.126 725 F CA -1.459 56.301 58.000 -0.399 0.000 0.959 725 F CB 1.147 40.079 39.000 -0.114 0.000 1.297 725 F HN 0.447 nan 8.300 nan 0.000 0.441 726 R N 0.212 120.734 120.500 0.037 0.000 2.553 726 R HA 0.588 4.928 4.340 -0.000 0.000 0.263 726 R C 1.354 177.755 176.300 0.168 0.000 1.066 726 R CA 0.199 56.355 56.100 0.094 0.000 1.135 726 R CB 1.205 31.593 30.300 0.148 0.000 1.148 726 R HN 1.022 nan 8.270 nan 0.000 0.558 727 G N 0.473 109.363 108.800 0.149 0.000 2.421 727 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 727 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 727 G C 0.723 175.652 174.900 0.048 0.000 1.171 727 G CA 1.252 46.387 45.100 0.059 0.000 0.775 727 G HN 0.858 nan 8.290 nan 0.000 0.543 728 D N -0.244 120.210 120.400 0.091 0.000 2.390 728 D HA 0.021 4.661 4.640 -0.000 0.000 0.235 728 D C 1.020 177.349 176.300 0.049 0.000 1.040 728 D CA 0.324 54.365 54.000 0.067 0.000 0.923 728 D CB -0.061 40.790 40.800 0.085 0.000 0.886 728 D HN 0.371 nan 8.370 nan 0.000 0.532 729 Q N -0.385 119.442 119.800 0.045 0.000 2.297 729 Q HA 0.213 4.553 4.340 -0.000 0.000 0.269 729 Q C -0.902 175.072 176.000 -0.044 0.000 1.051 729 Q CA -1.001 54.816 55.803 0.023 0.000 0.869 729 Q CB 1.344 30.121 28.738 0.065 0.000 1.346 729 Q HN 0.075 nan 8.270 nan 0.000 0.457 730 D N 0.475 120.841 120.400 -0.056 0.000 2.352 730 D HA 0.175 4.815 4.640 -0.000 0.000 0.245 730 D C 0.165 176.351 176.300 -0.190 0.000 1.224 730 D CA 0.017 53.954 54.000 -0.105 0.000 0.879 730 D CB 1.254 42.013 40.800 -0.069 0.000 1.057 730 D HN 0.658 nan 8.370 nan 0.000 0.491 731 A N 2.971 125.585 122.820 -0.342 0.000 2.121 731 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 731 A C 1.719 179.041 177.584 -0.437 0.000 1.154 731 A CA 1.117 52.749 52.037 -0.676 0.000 0.679 731 A CB 0.100 18.415 19.000 -1.142 0.000 0.795 731 A HN 0.566 nan 8.150 nan 0.000 0.458 732 G N -1.335 107.311 108.800 -0.255 0.000 3.393 732 G HA2 0.465 4.425 3.960 -0.000 0.000 0.255 732 G HA3 0.465 4.425 3.960 -0.000 0.000 0.255 732 G C 0.413 175.254 174.900 -0.098 0.000 1.097 732 G CA 0.585 45.589 45.100 -0.161 0.000 0.780 732 G HN 0.668 nan 8.290 nan 0.000 0.540 733 A N -0.710 122.057 122.820 -0.089 0.000 2.327 733 A HA 0.445 4.765 4.320 -0.000 0.000 0.283 733 A C 1.377 178.948 177.584 -0.023 0.000 1.127 733 A CA -0.200 51.810 52.037 -0.045 0.000 0.810 733 A CB 0.801 19.781 19.000 -0.033 0.000 1.066 733 A HN 0.284 nan 8.150 nan 0.000 0.492 734 c N 1.482 120.078 118.600 -0.007 0.000 2.450 734 c HA -0.044 4.526 4.570 -0.000 0.000 0.279 734 c C 2.440 176.544 174.090 0.024 0.000 1.335 734 c CA 1.335 57.670 56.329 0.009 0.000 1.749 734 c CB -1.163 41.353 42.510 0.010 0.000 1.963 734 c HN 0.926 nan 8.230 nan 0.000 0.501 735 E N 0.330 120.544 120.200 0.023 0.000 2.409 735 E HA -0.092 4.258 4.350 -0.000 0.000 0.198 735 E C 1.627 178.257 176.600 0.051 0.000 1.024 735 E CA 1.330 57.750 56.400 0.033 0.000 0.861 735 E CB -0.214 29.502 29.700 0.027 0.000 0.788 735 E HN 0.551 nan 8.360 nan 0.000 0.521 736 V N 0.532 120.477 119.914 0.052 0.000 3.085 736 V HA 0.068 4.188 4.120 -0.000 0.000 0.245 736 V C 0.577 176.749 176.094 0.129 0.000 1.114 736 V CA 0.728 63.081 62.300 0.088 0.000 1.108 736 V CB -0.145 31.710 31.823 0.054 0.000 0.798 736 V HN 0.199 nan 8.190 nan 0.000 0.471 737 N N -0.171 118.583 118.700 0.091 0.000 2.571 737 N HA 0.315 5.055 4.740 -0.000 0.000 0.286 737 N C -2.427 173.131 175.510 0.079 0.000 1.138 737 N CA -1.601 51.518 53.050 0.115 0.000 0.859 737 N CB 2.271 40.792 38.487 0.057 0.000 1.414 737 N HN -0.157 nan 8.380 nan 0.000 0.529 738 P HA -0.071 nan 4.420 nan 0.000 0.218 738 P C 1.254 178.589 177.300 0.057 0.000 1.146 738 P CA 1.006 64.146 63.100 0.068 0.000 0.813 738 P CB 0.403 32.147 31.700 0.074 0.000 0.778 739 L N -1.443 119.818 121.223 0.064 0.000 2.217 739 L HA -0.027 4.312 4.340 -0.000 0.000 0.211 739 L C 1.862 178.747 176.870 0.025 0.000 1.107 739 L CA 0.753 55.622 54.840 0.049 0.000 0.783 739 L CB -0.862 41.232 42.059 0.058 0.000 0.919 739 L HN -0.092 nan 8.230 nan 0.000 0.442 740 A N -1.318 121.509 122.820 0.012 0.000 2.324 740 A HA 0.087 4.407 4.320 -0.000 0.000 0.240 740 A C 1.259 178.847 177.584 0.006 0.000 1.347 740 A CA 0.297 52.331 52.037 -0.005 0.000 1.036 740 A CB -1.059 17.923 19.000 -0.030 0.000 0.917 740 A HN 0.602 nan 8.150 nan 0.000 0.519 741 c N -2.684 115.928 118.600 0.019 0.000 4.111 741 c HA 0.242 4.812 4.570 -0.000 0.000 0.443 741 c C 2.047 176.157 174.090 0.033 0.000 1.586 741 c CA -0.195 56.149 56.329 0.024 0.000 2.085 741 c CB -1.023 41.504 42.510 0.029 0.000 3.126 741 c HN 0.581 nan 8.230 nan 0.000 0.684 742 L N 2.356 123.601 121.223 0.036 0.000 2.021 742 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 742 L C -0.087 176.813 176.870 0.050 0.000 1.074 742 L CA 2.211 57.080 54.840 0.047 0.000 0.760 742 L CB -1.811 40.275 42.059 0.045 0.000 0.889 742 L HN 0.319 nan 8.230 nan 0.000 0.433 743 P HA -0.157 nan 4.420 nan 0.000 0.208 743 P C 1.392 178.710 177.300 0.029 0.000 1.203 743 P CA 1.128 64.247 63.100 0.032 0.000 0.920 743 P CB -0.164 31.548 31.700 0.019 0.000 0.769 744 Q N 0.014 119.827 119.800 0.021 0.000 2.028 744 Q HA -0.148 4.192 4.340 -0.000 0.000 0.215 744 Q C 0.603 176.617 176.000 0.023 0.000 1.041 744 Q CA 1.831 57.645 55.803 0.018 0.000 0.897 744 Q CB -0.687 28.059 28.738 0.014 0.000 1.017 744 Q HN 0.333 nan 8.270 nan 0.000 0.418 745 A N -2.307 120.530 122.820 0.029 0.000 2.540 745 A HA 0.669 4.989 4.320 -0.000 0.000 0.297 745 A C -0.575 177.036 177.584 0.046 0.000 1.056 745 A CA 0.080 52.138 52.037 0.036 0.000 0.700 745 A CB 1.855 20.873 19.000 0.030 0.000 1.280 745 A HN 0.459 nan 8.150 nan 0.000 0.398 746 A N -0.025 122.831 122.820 0.060 0.000 2.488 746 A HA 0.522 4.842 4.320 -0.000 0.000 0.219 746 A C 0.988 178.640 177.584 0.114 0.000 2.855 746 A CA 0.872 52.954 52.037 0.076 0.000 1.575 746 A CB -1.750 17.288 19.000 0.063 0.000 0.165 746 A HN 2.627 nan 8.150 nan 0.000 0.544 747 A N -1.006 121.886 122.820 0.120 0.000 2.262 747 A HA 0.582 4.902 4.320 -0.000 0.000 0.273 747 A C 0.790 178.470 177.584 0.160 0.000 1.202 747 A CA 0.514 52.659 52.037 0.179 0.000 0.811 747 A CB 0.277 19.359 19.000 0.136 0.000 1.159 747 A HN 2.048 nan 8.150 nan 0.000 0.505 748 C N -1.426 117.955 119.300 0.135 0.000 3.231 748 C HA 0.320 4.780 4.460 -0.000 0.000 0.359 748 C C 0.269 175.155 174.990 -0.174 0.000 0.903 748 C CA -0.888 58.122 59.018 -0.013 0.000 3.529 748 C CB -2.233 25.515 27.740 0.015 0.000 1.607 748 C HN 1.805 nan 8.230 nan 0.000 0.548 749 A N 5.921 128.446 122.820 -0.491 0.000 2.498 749 A HA 0.595 4.915 4.320 -0.000 0.000 0.239 749 A C -1.664 175.704 177.584 -0.360 0.000 1.068 749 A CA -0.235 51.270 52.037 -0.885 0.000 0.766 749 A CB 0.135 18.608 19.000 -0.879 0.000 1.003 749 A HN 0.626 nan 8.150 nan 0.000 0.497 750 P HA 0.175 nan 4.420 nan 0.000 0.270 750 P C -0.752 176.511 177.300 -0.061 0.000 1.223 750 P CA -0.259 62.800 63.100 -0.069 0.000 0.785 750 P CB 0.302 32.009 31.700 0.012 0.000 0.923 751 D N 0.651 121.041 120.400 -0.018 0.000 2.458 751 D HA 0.085 4.725 4.640 -0.000 0.000 0.243 751 D C 0.219 176.545 176.300 0.044 0.000 1.146 751 D CA 0.360 54.363 54.000 0.006 0.000 0.877 751 D CB 0.083 40.892 40.800 0.016 0.000 1.176 751 D HN 0.166 nan 8.370 nan 0.000 0.461 752 L N 3.490 124.757 121.223 0.072 0.000 2.418 752 L HA 0.354 4.694 4.340 -0.000 0.000 0.265 752 L C -1.707 175.267 176.870 0.173 0.000 1.143 752 L CA -1.825 53.114 54.840 0.165 0.000 0.809 752 L CB 0.005 42.203 42.059 0.231 0.000 1.124 752 L HN 0.168 nan 8.230 nan 0.000 0.456 753 P HA 0.143 nan 4.420 nan 0.000 0.268 753 P C -0.645 176.773 177.300 0.197 0.000 1.205 753 P CA -0.362 62.814 63.100 0.126 0.000 0.771 753 P CB 0.609 32.333 31.700 0.040 0.000 0.858 754 A N 3.374 126.280 122.820 0.144 0.000 2.488 754 A HA 0.167 4.487 4.320 -0.000 0.000 0.249 754 A C 0.003 177.720 177.584 0.221 0.000 1.083 754 A CA -0.343 51.804 52.037 0.183 0.000 0.768 754 A CB -0.698 18.376 19.000 0.123 0.000 1.017 754 A HN 0.592 nan 8.150 nan 0.000 0.496 755 F N 3.853 123.913 119.950 0.184 0.000 2.608 755 F HA 0.308 4.835 4.527 0.000 0.000 0.380 755 F C 0.917 176.765 175.800 0.080 0.000 1.083 755 F CA 1.324 59.431 58.000 0.178 0.000 1.266 755 F CB 0.502 39.625 39.000 0.205 0.000 1.076 755 F HN 0.672 nan 8.300 nan 0.000 0.574 756 S N 5.783 121.103 115.700 -0.633 0.000 2.671 756 S HA 0.498 4.968 4.470 -0.000 0.000 0.299 756 S C -1.326 172.781 174.600 -0.822 0.000 1.116 756 S CA -0.801 57.113 58.200 -0.478 0.000 0.912 756 S CB 1.896 64.933 63.200 -0.273 0.000 1.130 756 S HN 0.868 nan 8.310 nan 0.000 0.501 757 H N -0.791 118.042 119.070 -0.395 0.000 2.806 757 H HA 0.412 4.968 4.556 -0.000 0.000 0.367 757 H C 0.973 176.187 175.328 -0.190 0.000 1.136 757 H CA -0.079 55.794 56.048 -0.292 0.000 1.178 757 H CB 1.881 31.634 29.762 -0.015 0.000 1.718 757 H HN 0.907 nan 8.280 nan 0.000 0.540 758 G N 2.080 110.491 108.800 -0.649 0.000 2.708 758 G HA2 0.220 4.180 3.960 -0.000 0.000 0.210 758 G HA3 0.220 4.180 3.960 -0.000 0.000 0.210 758 G C 0.815 175.632 174.900 -0.138 0.000 1.141 758 G CA 0.644 45.537 45.100 -0.345 0.000 0.788 758 G HN 1.039 nan 8.290 nan 0.000 0.531 759 G N -0.909 107.953 108.800 0.104 0.000 2.645 759 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.239 759 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.239 759 G C -0.245 174.488 174.900 -0.277 0.000 1.331 759 G CA -0.161 44.983 45.100 0.075 0.000 0.890 759 G HN 0.472 nan 8.290 nan 0.000 0.572 760 F N -0.351 119.673 119.950 0.122 0.000 2.679 760 F HA 0.725 5.252 4.527 -0.000 0.000 0.341 760 F C 1.110 176.946 175.800 0.060 0.000 1.095 760 F CA -0.338 57.716 58.000 0.091 0.000 1.004 760 F CB 1.430 40.476 39.000 0.076 0.000 1.388 760 F HN 0.607 nan 8.300 nan 0.000 0.505 761 S N 0.000 115.846 115.700 0.243 0.000 2.498 761 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 761 S CA 0.000 58.275 58.200 0.125 0.000 1.107 761 S CB 0.000 63.240 63.200 0.066 0.000 0.593 761 S HN 0.000 nan 8.310 nan 0.000 0.517