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 2asv_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.569 174.600 -0.052 0.000 1.055 1 S CA 0.000 58.166 58.200 -0.057 0.000 1.107 1 S CB 0.000 63.181 63.200 -0.032 0.000 0.593 2 Q N 1.578 121.344 119.800 -0.057 0.000 2.751 2 Q HA 0.029 4.369 4.340 0.001 0.000 0.338 2 Q C -2.126 173.899 176.000 0.041 0.000 1.085 2 Q CA -0.099 55.677 55.803 -0.045 0.000 1.123 2 Q CB -0.419 28.295 28.738 -0.041 0.000 0.975 2 Q HN 0.382 nan 8.270 nan 0.000 0.399 3 P HA 0.008 nan 4.420 nan 0.000 0.267 3 P C -0.683 176.905 177.300 0.480 0.000 1.200 3 P CA 0.130 63.364 63.100 0.223 0.000 0.772 3 P CB 0.519 32.317 31.700 0.164 0.000 0.855 4 I N 3.441 124.245 120.570 0.390 0.000 2.312 4 I HA 0.225 4.396 4.170 0.001 0.000 0.290 4 I C 0.319 176.484 176.117 0.081 0.000 1.008 4 I CA -0.678 60.782 61.300 0.266 0.000 1.226 4 I CB -0.194 37.868 38.000 0.104 0.000 1.371 4 I HN 0.308 nan 8.210 nan 0.000 0.468 5 F N 7.533 127.253 119.950 -0.384 0.000 2.471 5 F HA 0.245 4.773 4.527 0.001 0.000 0.353 5 F C 0.446 175.969 175.800 -0.461 0.000 1.113 5 F CA 0.276 57.663 58.000 -1.022 0.000 1.262 5 F CB 0.476 38.709 39.000 -1.279 0.000 1.146 5 F HN 0.536 nan 8.300 nan 0.000 0.578 6 N N 4.578 122.534 118.700 -1.240 0.000 2.480 6 N HA 0.067 4.808 4.740 0.001 0.000 0.289 6 N C -0.162 174.770 175.510 -0.963 0.000 1.073 6 N CA -0.308 52.295 53.050 -0.745 0.000 0.885 6 N CB 1.443 39.680 38.487 -0.416 0.000 1.421 6 N HN 0.872 nan 8.380 nan 0.000 0.503 7 D N 3.131 123.222 120.400 -0.515 0.000 2.144 7 D HA -0.141 4.500 4.640 0.001 0.000 0.200 7 D C 1.713 177.967 176.300 -0.076 0.000 0.978 7 D CA 1.368 55.255 54.000 -0.188 0.000 0.833 7 D CB 0.393 41.266 40.800 0.122 0.000 0.961 7 D HN 0.569 nan 8.370 nan 0.000 0.470 8 K N 0.088 120.423 120.400 -0.107 0.000 2.097 8 K HA -0.222 4.098 4.320 0.001 0.000 0.205 8 K C 2.200 178.741 176.600 -0.098 0.000 1.050 8 K CA 1.130 57.380 56.287 -0.063 0.000 0.938 8 K CB -0.131 32.330 32.500 -0.065 0.000 0.718 8 K HN 0.264 nan 8.250 nan 0.000 0.442 9 Q N -0.306 119.388 119.800 -0.177 0.000 2.119 9 Q HA -0.183 4.158 4.340 0.001 0.000 0.201 9 Q C 1.959 177.873 176.000 -0.143 0.000 0.972 9 Q CA 1.331 57.029 55.803 -0.176 0.000 0.847 9 Q CB -0.164 28.440 28.738 -0.224 0.000 0.903 9 Q HN 0.373 nan 8.270 nan 0.000 0.433 10 F N 1.384 121.140 119.950 -0.324 0.000 2.134 10 F HA -0.217 4.311 4.527 0.001 0.000 0.299 10 F C 2.237 178.009 175.800 -0.045 0.000 1.097 10 F CA 1.522 59.416 58.000 -0.176 0.000 1.264 10 F CB -0.102 38.826 39.000 -0.120 0.000 1.001 10 F HN 0.112 nan 8.300 nan 0.000 0.479 11 Q N 0.530 120.302 119.800 -0.047 0.000 2.079 11 Q HA -0.199 4.142 4.340 0.001 0.000 0.200 11 Q C 2.168 178.080 176.000 -0.146 0.000 0.974 11 Q CA 1.889 57.665 55.803 -0.046 0.000 0.840 11 Q CB -0.703 28.117 28.738 0.135 0.000 0.898 11 Q HN 0.584 nan 8.270 nan 0.000 0.430 12 E N 0.880 120.996 120.200 -0.141 0.000 2.085 12 E HA -0.163 4.187 4.350 0.001 0.000 0.194 12 E C 1.956 178.391 176.600 -0.276 0.000 0.994 12 E CA 1.107 57.395 56.400 -0.187 0.000 0.801 12 E CB -0.105 29.507 29.700 -0.147 0.000 0.743 12 E HN 0.357 nan 8.360 nan 0.000 0.453 13 A N 0.947 123.595 122.820 -0.286 0.000 1.902 13 A HA -0.165 4.156 4.320 0.001 0.000 0.217 13 A C 2.141 179.470 177.584 -0.425 0.000 1.181 13 A CA 0.991 52.841 52.037 -0.311 0.000 0.623 13 A CB -0.529 18.331 19.000 -0.233 0.000 0.818 13 A HN 0.218 nan 8.150 nan 0.000 0.443 14 L N 0.878 121.784 121.223 -0.528 0.000 2.046 14 L HA -0.161 4.180 4.340 0.001 0.000 0.208 14 L C 2.825 179.348 176.870 -0.580 0.000 1.077 14 L CA 2.750 57.271 54.840 -0.533 0.000 0.747 14 L CB -0.615 41.081 42.059 -0.606 0.000 0.896 14 L HN 0.531 nan 8.230 nan 0.000 0.432 15 S N -1.126 114.200 115.700 -0.622 0.000 2.402 15 S HA -0.192 4.278 4.470 0.001 0.000 0.229 15 S C 2.130 175.993 174.600 -1.229 0.000 1.021 15 S CA 0.790 58.274 58.200 -1.194 0.000 0.974 15 S CB -0.594 62.227 63.200 -0.632 0.000 0.800 15 S HN 0.501 nan 8.310 nan 0.000 0.484 16 R N 0.761 120.824 120.500 -0.729 0.000 2.120 16 R HA -0.022 4.318 4.340 0.001 0.000 0.234 16 R C 2.640 178.571 176.300 -0.616 0.000 1.123 16 R CA 1.522 57.272 56.100 -0.583 0.000 0.975 16 R CB -0.245 29.812 30.300 -0.405 0.000 0.866 16 R HN 0.514 nan 8.270 nan 0.000 0.446 17 Q N -0.105 119.302 119.800 -0.654 0.000 2.049 17 Q HA -0.168 4.173 4.340 0.001 0.000 0.198 17 Q C 2.071 177.551 176.000 -0.867 0.000 0.971 17 Q CA 1.498 56.873 55.803 -0.713 0.000 0.833 17 Q CB -0.475 27.909 28.738 -0.591 0.000 0.896 17 Q HN 0.642 nan 8.270 nan 0.000 0.434 18 W N 0.972 121.924 121.300 -0.580 0.000 2.467 18 W HA -0.004 4.657 4.660 0.001 0.000 0.275 18 W C 1.299 177.649 176.519 -0.282 0.000 1.239 18 W CA 0.364 57.464 57.345 -0.407 0.000 1.266 18 W CB -0.520 28.759 29.460 -0.302 0.000 1.112 18 W HN 0.186 nan 8.180 nan 0.000 0.576 19 Q N 1.026 120.563 119.800 -0.439 0.000 2.119 19 Q HA -0.158 4.183 4.340 0.001 0.000 0.201 19 Q C 2.440 178.305 176.000 -0.226 0.000 0.972 19 Q CA 1.643 57.258 55.803 -0.313 0.000 0.847 19 Q CB -0.380 28.044 28.738 -0.524 0.000 0.903 19 Q HN 0.250 nan 8.270 nan 0.000 0.433 20 R N -0.200 120.087 120.500 -0.354 0.000 2.152 20 R HA -0.146 4.195 4.340 0.001 0.000 0.232 20 R C 0.977 177.195 176.300 -0.136 0.000 1.117 20 R CA 1.029 56.961 56.100 -0.281 0.000 0.981 20 R CB 0.129 30.206 30.300 -0.371 0.000 0.870 20 R HN 0.268 nan 8.270 nan 0.000 0.451 21 Y N -0.628 119.641 120.300 -0.052 0.000 2.529 21 Y HA 0.267 4.818 4.550 0.001 0.000 0.290 21 Y C 1.545 177.442 175.900 -0.006 0.000 1.177 21 Y CA 0.235 58.317 58.100 -0.030 0.000 1.305 21 Y CB -0.017 38.425 38.460 -0.030 0.000 1.047 21 Y HN 0.287 nan 8.280 nan 0.000 0.522 22 G N 0.387 109.262 108.800 0.125 0.000 2.147 22 G HA2 -0.274 3.687 3.960 0.001 0.000 0.244 22 G HA3 -0.274 3.687 3.960 0.001 0.000 0.244 22 G C -0.020 174.953 174.900 0.122 0.000 1.005 22 G CA 0.182 45.338 45.100 0.093 0.000 0.713 22 G HN 0.295 nan 8.290 nan 0.000 0.515 23 L N -0.569 120.773 121.223 0.198 0.000 2.416 23 L HA 0.446 4.786 4.340 0.001 0.000 0.262 23 L C 1.338 178.344 176.870 0.227 0.000 1.093 23 L CA -1.147 53.794 54.840 0.168 0.000 0.801 23 L CB 0.595 42.732 42.059 0.130 0.000 1.191 23 L HN -0.049 nan 8.230 nan 0.000 0.459 24 N N -0.142 118.585 118.700 0.046 0.000 2.424 24 N HA -0.003 4.738 4.740 0.001 0.000 0.178 24 N C 0.117 175.465 175.510 -0.271 0.000 1.060 24 N CA 0.411 53.474 53.050 0.021 0.000 0.901 24 N CB 0.490 38.967 38.487 -0.018 0.000 0.979 24 N HN 0.708 nan 8.380 nan 0.000 0.451 25 S N -2.044 113.207 115.700 -0.748 0.000 2.611 25 S HA 0.599 5.070 4.470 0.001 0.000 0.268 25 S C 0.443 174.096 174.600 -1.579 0.000 1.156 25 S CA -0.226 57.142 58.200 -1.387 0.000 0.817 25 S CB 1.031 63.899 63.200 -0.554 0.000 1.122 25 S HN -0.023 nan 8.310 nan 0.000 0.466 26 A N 1.154 122.976 122.820 -1.663 0.000 1.933 26 A HA 0.295 4.615 4.320 0.001 0.000 0.218 26 A C 2.245 179.589 177.584 -0.399 0.000 1.175 26 A CA 2.018 53.406 52.037 -1.081 0.000 0.628 26 A CB -1.530 17.162 19.000 -0.513 0.000 0.814 26 A HN 1.728 nan 8.150 nan 0.000 0.444 27 A N -0.265 122.492 122.820 -0.105 0.000 2.121 27 A HA -0.071 4.250 4.320 0.001 0.000 0.218 27 A C 1.701 179.319 177.584 0.057 0.000 1.154 27 A CA 1.220 53.341 52.037 0.140 0.000 0.679 27 A CB -0.415 18.643 19.000 0.097 0.000 0.795 27 A HN 0.653 nan 8.150 nan 0.000 0.458 28 E N -0.501 119.636 120.200 -0.104 0.000 2.482 28 E HA 0.026 4.377 4.350 0.001 0.000 0.196 28 E C 0.204 176.768 176.600 -0.061 0.000 1.047 28 E CA -0.119 56.237 56.400 -0.073 0.000 0.869 28 E CB -0.138 29.496 29.700 -0.110 0.000 0.836 28 E HN 0.645 nan 8.360 nan 0.000 0.520 29 M N 1.566 121.083 119.600 -0.137 0.000 2.248 29 M HA 0.008 4.488 4.480 0.001 0.000 0.337 29 M C 0.812 177.147 176.300 0.057 0.000 1.121 29 M CA 0.174 55.367 55.300 -0.179 0.000 1.155 29 M CB 0.598 32.794 32.600 -0.673 0.000 1.514 29 M HN -0.029 nan 8.290 nan 0.000 0.452 30 T N -0.289 114.283 114.554 0.031 0.000 2.828 30 T HA 0.221 4.571 4.350 0.001 0.000 0.290 30 T C -2.099 172.749 174.700 0.247 0.000 1.019 30 T CA -1.586 60.583 62.100 0.115 0.000 1.031 30 T CB 0.595 69.485 68.868 0.037 0.000 1.001 30 T HN 0.390 nan 8.240 nan 0.000 0.531 31 P HA -0.141 nan 4.420 nan 0.000 0.216 31 P C 1.714 179.193 177.300 0.297 0.000 1.157 31 P CA 1.191 64.454 63.100 0.271 0.000 0.880 31 P CB 0.041 31.836 31.700 0.160 0.000 0.791 32 R N -0.259 120.361 120.500 0.200 0.000 2.075 32 R HA -0.149 4.191 4.340 0.001 0.000 0.232 32 R C 2.334 178.759 176.300 0.209 0.000 1.126 32 R CA 1.521 57.754 56.100 0.220 0.000 0.963 32 R CB -0.449 29.921 30.300 0.116 0.000 0.858 32 R HN 0.223 nan 8.270 nan 0.000 0.435 33 Q N -1.082 118.740 119.800 0.037 0.000 2.124 33 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 33 Q C 1.724 177.760 176.000 0.060 0.000 0.977 33 Q CA 1.829 57.554 55.803 -0.129 0.000 0.850 33 Q CB -0.159 28.350 28.738 -0.382 0.000 0.901 33 Q HN 0.468 nan 8.270 nan 0.000 0.429 34 W N -0.419 120.949 121.300 0.114 0.000 2.355 34 W HA -0.212 4.449 4.660 0.001 0.000 0.309 34 W C 2.059 178.656 176.519 0.131 0.000 1.206 34 W CA 0.806 58.221 57.345 0.115 0.000 1.284 34 W CB -0.381 29.143 29.460 0.107 0.000 1.145 34 W HN 0.317 nan 8.180 nan 0.000 0.502 35 W N 0.471 121.956 121.300 0.309 0.000 2.355 35 W HA -0.183 4.477 4.660 0.001 0.000 0.309 35 W C 1.943 178.541 176.519 0.132 0.000 1.206 35 W CA 1.918 59.390 57.345 0.211 0.000 1.284 35 W CB -0.838 28.726 29.460 0.174 0.000 1.145 35 W HN -0.225 nan 8.180 nan 0.000 0.502 36 L N 0.698 121.821 121.223 -0.167 0.000 2.042 36 L HA -0.226 4.114 4.340 0.001 0.000 0.210 36 L C 2.704 179.385 176.870 -0.316 0.000 1.076 36 L CA 1.680 56.275 54.840 -0.409 0.000 0.749 36 L CB -1.301 40.742 42.059 -0.026 0.000 0.893 36 L HN 0.155 nan 8.230 nan 0.000 0.432 37 A N -0.770 121.991 122.820 -0.098 0.000 1.874 37 A HA -0.081 4.240 4.320 0.001 0.000 0.214 37 A C 2.317 179.777 177.584 -0.206 0.000 1.189 37 A CA 1.212 53.162 52.037 -0.146 0.000 0.615 37 A CB -0.696 18.237 19.000 -0.113 0.000 0.830 37 A HN 0.140 nan 8.150 nan 0.000 0.443 38 V N 0.177 120.041 119.914 -0.083 0.000 2.295 38 V HA -0.227 3.893 4.120 0.001 0.000 0.246 38 V C 2.813 178.839 176.094 -0.112 0.000 1.049 38 V CA 2.404 64.730 62.300 0.042 0.000 1.024 38 V CB -0.764 31.210 31.823 0.251 0.000 0.648 38 V HN 0.556 nan 8.190 nan 0.000 0.447 39 S N -0.728 114.736 115.700 -0.393 0.000 2.368 39 S HA -0.189 4.282 4.470 0.001 0.000 0.225 39 S C 1.935 176.006 174.600 -0.881 0.000 1.030 39 S CA 1.312 59.103 58.200 -0.682 0.000 0.999 39 S CB -0.264 62.305 63.200 -1.052 0.000 0.844 39 S HN 0.629 nan 8.310 nan 0.000 0.459 40 E N 1.191 121.001 120.200 -0.649 0.000 2.107 40 E HA -0.027 4.324 4.350 0.001 0.000 0.191 40 E C 2.384 178.752 176.600 -0.388 0.000 0.982 40 E CA 0.890 56.969 56.400 -0.535 0.000 0.809 40 E CB -0.261 29.207 29.700 -0.387 0.000 0.756 40 E HN 0.489 nan 8.360 nan 0.000 0.459 41 A N 1.458 124.095 122.820 -0.305 0.000 1.877 41 A HA -0.153 4.168 4.320 0.001 0.000 0.216 41 A C 2.301 179.860 177.584 -0.041 0.000 1.186 41 A CA 1.052 52.968 52.037 -0.200 0.000 0.620 41 A CB -0.689 18.157 19.000 -0.257 0.000 0.822 41 A HN 0.131 nan 8.150 nan 0.000 0.443 42 L N -0.794 120.439 121.223 0.018 0.000 2.046 42 L HA -0.177 4.164 4.340 0.001 0.000 0.208 42 L C 3.105 180.031 176.870 0.094 0.000 1.077 42 L CA 1.016 55.997 54.840 0.235 0.000 0.747 42 L CB -0.604 41.675 42.059 0.368 0.000 0.896 42 L HN 0.429 nan 8.230 nan 0.000 0.432 43 A N -0.026 122.559 122.820 -0.392 0.000 1.908 43 A HA -0.242 4.078 4.320 0.001 0.000 0.218 43 A C 2.191 179.756 177.584 -0.031 0.000 1.181 43 A CA 1.839 53.723 52.037 -0.256 0.000 0.627 43 A CB -0.456 18.210 19.000 -0.557 0.000 0.818 43 A HN 0.473 nan 8.150 nan 0.000 0.445 44 E N -0.749 119.405 120.200 -0.077 0.000 2.072 44 E HA -0.170 4.181 4.350 0.001 0.000 0.191 44 E C 2.130 178.757 176.600 0.045 0.000 0.985 44 E CA 1.404 57.783 56.400 -0.035 0.000 0.801 44 E CB -0.272 29.374 29.700 -0.090 0.000 0.750 44 E HN 0.682 nan 8.360 nan 0.000 0.452 45 M N 0.324 119.991 119.600 0.113 0.000 2.117 45 M HA -0.172 4.308 4.480 0.001 0.000 0.262 45 M C 2.444 178.921 176.300 0.294 0.000 1.065 45 M CA 0.992 56.420 55.300 0.214 0.000 1.114 45 M CB -0.282 32.517 32.600 0.331 0.000 1.361 45 M HN 0.127 nan 8.290 nan 0.000 0.408 46 L N 0.641 122.048 121.223 0.307 0.000 2.042 46 L HA -0.190 4.151 4.340 0.001 0.000 0.210 46 L C 2.312 179.274 176.870 0.153 0.000 1.076 46 L CA 1.972 56.945 54.840 0.221 0.000 0.749 46 L CB -0.455 41.745 42.059 0.235 0.000 0.893 46 L HN 0.158 nan 8.230 nan 0.000 0.432 47 R N -0.930 119.647 120.500 0.128 0.000 2.276 47 R HA 0.106 4.447 4.340 0.001 0.000 0.203 47 R C 1.908 178.249 176.300 0.069 0.000 1.017 47 R CA 0.675 56.827 56.100 0.087 0.000 1.010 47 R CB -0.296 30.040 30.300 0.060 0.000 0.900 47 R HN 0.472 nan 8.270 nan 0.000 0.469 48 A N 0.524 123.390 122.820 0.077 0.000 2.218 48 A HA 0.032 4.353 4.320 0.001 0.000 0.209 48 A C 0.548 178.179 177.584 0.078 0.000 1.168 48 A CA 0.165 52.236 52.037 0.057 0.000 0.804 48 A CB 0.211 19.235 19.000 0.039 0.000 0.834 48 A HN 0.080 nan 8.150 nan 0.000 0.482 49 Q N 1.176 121.042 119.800 0.110 0.000 2.340 49 Q HA 0.278 4.618 4.340 0.001 0.000 0.249 49 Q C -2.258 173.800 176.000 0.096 0.000 0.957 49 Q CA -1.649 54.222 55.803 0.114 0.000 0.882 49 Q CB 0.278 29.093 28.738 0.128 0.000 1.235 49 Q HN 0.320 nan 8.270 nan 0.000 0.439 50 P HA 0.024 nan 4.420 nan 0.000 0.269 50 P C -0.450 176.923 177.300 0.122 0.000 1.209 50 P CA -0.296 62.864 63.100 0.100 0.000 0.776 50 P CB 0.306 32.050 31.700 0.072 0.000 0.876 51 F N 2.264 122.216 119.950 0.004 0.000 2.557 51 F HA 0.301 4.828 4.527 0.001 0.000 0.384 51 F C 0.114 175.913 175.800 -0.002 0.000 1.057 51 F CA -0.503 57.496 58.000 -0.001 0.000 1.169 51 F CB -0.027 38.969 39.000 -0.006 0.000 1.070 51 F HN 0.403 nan 8.300 nan 0.000 0.554 52 A N 7.778 130.270 122.820 -0.546 0.000 2.276 52 A HA 0.397 4.718 4.320 0.001 0.000 0.300 52 A C -0.369 176.634 177.584 -0.968 0.000 1.235 52 A CA -0.916 50.798 52.037 -0.539 0.000 0.867 52 A CB 0.078 18.898 19.000 -0.301 0.000 1.137 52 A HN 0.807 nan 8.150 nan 0.000 0.527 53 K N 3.627 123.594 120.400 -0.722 0.000 2.270 53 K HA 0.499 4.820 4.320 0.001 0.000 0.276 53 K C -2.508 173.928 176.600 -0.272 0.000 1.023 53 K CA -1.209 54.739 56.287 -0.565 0.000 0.955 53 K CB 0.302 32.742 32.500 -0.099 0.000 0.975 53 K HN 0.410 nan 8.250 nan 0.000 0.471 54 P HA 0.022 nan 4.420 nan 0.000 0.275 54 P C -0.389 176.906 177.300 -0.008 0.000 1.266 54 P CA -0.713 62.358 63.100 -0.048 0.000 0.793 54 P CB 0.379 32.095 31.700 0.025 0.000 1.074 55 V N 0.275 120.191 119.914 0.003 0.000 2.617 55 V HA 0.173 4.293 4.120 0.001 0.000 0.304 55 V C 1.097 177.214 176.094 0.039 0.000 1.040 55 V CA 0.195 62.504 62.300 0.016 0.000 1.149 55 V CB -0.335 31.498 31.823 0.017 0.000 0.914 55 V HN 0.770 nan 8.190 nan 0.000 0.487 56 A N 3.999 126.842 122.820 0.038 0.000 2.313 56 A HA 0.450 4.770 4.320 0.001 0.000 0.261 56 A C 0.803 178.417 177.584 0.051 0.000 1.090 56 A CA -0.024 52.045 52.037 0.053 0.000 0.807 56 A CB -0.375 18.652 19.000 0.046 0.000 1.055 56 A HN 1.123 nan 8.150 nan 0.000 0.492 57 N N -0.664 118.074 118.700 0.062 0.000 2.727 57 N HA -0.166 4.575 4.740 0.001 0.000 0.249 57 N C -0.730 174.799 175.510 0.030 0.000 1.048 57 N CA 1.003 54.079 53.050 0.045 0.000 0.714 57 N CB -1.065 37.438 38.487 0.027 0.000 0.959 57 N HN 0.738 nan 8.380 nan 0.000 0.544 58 Q N 0.033 119.866 119.800 0.055 0.000 2.394 58 Q HA 0.398 4.738 4.340 0.001 0.000 0.273 58 Q C -0.256 175.788 176.000 0.074 0.000 1.089 58 Q CA -0.937 54.897 55.803 0.053 0.000 0.812 58 Q CB 2.020 30.796 28.738 0.064 0.000 1.353 58 Q HN 0.191 nan 8.270 nan 0.000 0.438 59 R N 1.050 121.581 120.500 0.052 0.000 2.570 59 R HA 0.022 4.363 4.340 0.001 0.000 0.277 59 R C -0.101 176.257 176.300 0.096 0.000 1.039 59 R CA -0.006 56.138 56.100 0.074 0.000 1.065 59 R CB 0.132 30.454 30.300 0.036 0.000 0.964 59 R HN 0.524 nan 8.270 nan 0.000 0.428 60 H N 1.312 120.405 119.070 0.039 0.000 2.683 60 H HA 0.141 4.698 4.556 0.001 0.000 0.339 60 H C -0.665 174.616 175.328 -0.077 0.000 1.081 60 H CA -0.110 55.939 56.048 0.001 0.000 1.432 60 H CB 0.750 30.538 29.762 0.044 0.000 1.462 60 H HN 0.168 nan 8.280 nan 0.000 0.557 61 V N 6.085 125.646 119.914 -0.589 0.000 2.407 61 V HA 0.164 4.285 4.120 0.001 0.000 0.278 61 V C -0.186 175.668 176.094 -0.400 0.000 1.037 61 V CA -0.802 61.144 62.300 -0.589 0.000 0.900 61 V CB 1.169 32.420 31.823 -0.953 0.000 0.983 61 V HN 0.849 nan 8.190 nan 0.000 0.459 62 N N 4.200 122.830 118.700 -0.117 0.000 2.558 62 N HA 0.247 4.988 4.740 0.001 0.000 0.242 62 N C -1.270 174.366 175.510 0.210 0.000 0.979 62 N CA -0.325 52.834 53.050 0.182 0.000 0.931 62 N CB 1.689 40.379 38.487 0.339 0.000 1.122 62 N HN 0.703 nan 8.380 nan 0.000 0.508 63 Y N 3.007 123.381 120.300 0.124 0.000 2.434 63 Y HA 0.407 4.958 4.550 0.001 0.000 0.341 63 Y C -0.167 175.972 175.900 0.399 0.000 0.965 63 Y CA -0.610 57.608 58.100 0.196 0.000 1.205 63 Y CB 0.462 39.014 38.460 0.153 0.000 1.121 63 Y HN 0.379 nan 8.280 nan 0.000 0.507 64 I N 5.331 125.977 120.570 0.128 0.000 2.307 64 I HA 0.295 4.466 4.170 0.001 0.000 0.289 64 I C -0.147 176.056 176.117 0.143 0.000 1.021 64 I CA -0.329 61.136 61.300 0.276 0.000 1.224 64 I CB 1.004 39.149 38.000 0.242 0.000 1.376 64 I HN 0.455 nan 8.210 nan 0.000 0.470 65 S N 5.815 121.682 115.700 0.278 0.000 2.549 65 S HA 0.467 4.938 4.470 0.001 0.000 0.280 65 S C 0.649 175.386 174.600 0.229 0.000 1.109 65 S CA -0.730 57.525 58.200 0.093 0.000 0.905 65 S CB 1.887 64.877 63.200 -0.350 0.000 1.081 65 S HN 0.649 nan 8.310 nan 0.000 0.477 66 M N 2.119 121.849 119.600 0.218 0.000 2.476 66 M HA 0.043 4.524 4.480 0.001 0.000 0.262 66 M C 0.278 176.684 176.300 0.177 0.000 1.079 66 M CA 1.038 56.460 55.300 0.205 0.000 1.104 66 M CB -0.437 32.194 32.600 0.051 0.000 1.409 66 M HN 0.734 nan 8.290 nan 0.000 0.467 67 E N -0.772 119.443 120.200 0.024 0.000 2.331 67 E HA 0.480 4.831 4.350 0.001 0.000 0.275 67 E C -1.414 175.027 176.600 -0.265 0.000 0.895 67 E CA -0.714 55.681 56.400 -0.009 0.000 0.753 67 E CB 1.413 31.050 29.700 -0.105 0.000 1.216 67 E HN -0.029 nan 8.360 nan 0.000 0.434 68 F N 2.224 122.205 119.950 0.052 0.000 2.771 68 F HA 0.253 4.781 4.527 0.001 0.000 0.365 68 F C -0.677 175.096 175.800 -0.046 0.000 1.169 68 F CA -0.843 57.168 58.000 0.019 0.000 1.093 68 F CB 1.606 40.619 39.000 0.021 0.000 1.363 68 F HN 0.439 nan 8.300 nan 0.000 0.496 69 L N 5.747 126.993 121.223 0.039 0.000 2.437 69 L HA 0.285 4.626 4.340 0.001 0.000 0.243 69 L C 1.289 178.158 176.870 -0.001 0.000 1.346 69 L CA 0.437 55.269 54.840 -0.015 0.000 1.233 69 L CB -0.701 41.342 42.059 -0.027 0.000 1.436 69 L HN 0.650 nan 8.230 nan 0.000 0.416 70 I N -0.747 119.810 120.570 -0.023 0.000 2.546 70 I HA 0.309 4.479 4.170 0.001 0.000 0.255 70 I C 1.320 177.385 176.117 -0.086 0.000 1.163 70 I CA 0.437 61.715 61.300 -0.036 0.000 1.457 70 I CB -0.890 37.073 38.000 -0.062 0.000 1.092 70 I HN 0.529 nan 8.210 nan 0.000 0.434 71 G N 1.692 110.423 108.800 -0.115 0.000 2.750 71 G HA2 -0.258 3.703 3.960 0.001 0.000 0.228 71 G HA3 -0.258 3.703 3.960 0.001 0.000 0.228 71 G C -0.300 174.548 174.900 -0.086 0.000 1.367 71 G CA -0.258 44.771 45.100 -0.119 0.000 0.871 71 G HN 0.576 nan 8.290 nan 0.000 0.560 72 R N -0.682 119.791 120.500 -0.044 0.000 2.640 72 R HA 0.292 4.633 4.340 0.001 0.000 0.270 72 R C 1.348 177.676 176.300 0.046 0.000 1.024 72 R CA 0.255 56.392 56.100 0.062 0.000 1.085 72 R CB 0.231 30.567 30.300 0.060 0.000 0.963 72 R HN 0.438 nan 8.270 nan 0.000 0.426 73 L N 1.128 122.437 121.223 0.144 0.000 2.537 73 L HA 0.016 4.356 4.340 0.001 0.000 0.224 73 L C 1.898 178.727 176.870 -0.068 0.000 1.065 73 L CA 0.427 55.230 54.840 -0.062 0.000 0.860 73 L CB 0.059 41.954 42.059 -0.273 0.000 1.086 73 L HN 0.717 nan 8.230 nan 0.000 0.482 74 T N 0.189 114.910 114.554 0.279 0.000 2.737 74 T HA -0.113 4.237 4.350 0.001 0.000 0.265 74 T C 1.885 176.740 174.700 0.259 0.000 1.038 74 T CA 1.607 63.967 62.100 0.433 0.000 1.144 74 T CB -0.416 68.864 68.868 0.686 0.000 0.866 74 T HN 0.501 nan 8.240 nan 0.000 0.434 75 G N 1.420 110.370 108.800 0.250 0.000 2.446 75 G HA2 -0.323 3.638 3.960 0.001 0.000 0.217 75 G HA3 -0.323 3.638 3.960 0.001 0.000 0.217 75 G C 1.490 176.485 174.900 0.158 0.000 1.168 75 G CA 1.387 46.651 45.100 0.274 0.000 0.771 75 G HN 0.577 nan 8.290 nan 0.000 0.551 76 N N 0.839 119.550 118.700 0.019 0.000 2.104 76 N HA -0.134 4.607 4.740 0.001 0.000 0.190 76 N C 2.022 177.476 175.510 -0.094 0.000 1.024 76 N CA 1.781 54.788 53.050 -0.072 0.000 0.853 76 N CB -0.218 38.186 38.487 -0.138 0.000 1.008 76 N HN 0.196 nan 8.380 nan 0.000 0.424 77 N N 0.159 118.764 118.700 -0.158 0.000 2.142 77 N HA -0.049 4.692 4.740 0.001 0.000 0.186 77 N C 1.657 177.087 175.510 -0.134 0.000 1.023 77 N CA 0.734 53.638 53.050 -0.243 0.000 0.852 77 N CB -0.412 37.752 38.487 -0.537 0.000 0.998 77 N HN 0.290 nan 8.380 nan 0.000 0.424 78 L N 0.547 121.786 121.223 0.028 0.000 1.989 78 L HA -0.168 4.173 4.340 0.001 0.000 0.211 78 L C 2.354 179.270 176.870 0.076 0.000 1.071 78 L CA 0.929 55.835 54.840 0.110 0.000 0.749 78 L CB -0.531 41.668 42.059 0.234 0.000 0.890 78 L HN 0.180 nan 8.230 nan 0.000 0.431 79 L N -0.098 121.190 121.223 0.108 0.000 2.012 79 L HA -0.273 4.068 4.340 0.001 0.000 0.210 79 L C 2.297 179.151 176.870 -0.027 0.000 1.073 79 L CA 1.763 56.625 54.840 0.038 0.000 0.748 79 L CB -0.354 41.699 42.059 -0.011 0.000 0.891 79 L HN 0.305 nan 8.230 nan 0.000 0.431 80 N N -0.200 118.463 118.700 -0.061 0.000 2.188 80 N HA -0.129 4.612 4.740 0.001 0.000 0.184 80 N C 1.806 177.137 175.510 -0.297 0.000 1.018 80 N CA 1.457 54.446 53.050 -0.101 0.000 0.858 80 N CB -0.361 38.082 38.487 -0.074 0.000 0.989 80 N HN 0.352 nan 8.380 nan 0.000 0.426 81 L N -0.649 120.356 121.223 -0.364 0.000 2.275 81 L HA 0.052 4.392 4.340 0.001 0.000 0.215 81 L C 1.078 177.687 176.870 -0.436 0.000 1.119 81 L CA 0.670 55.153 54.840 -0.595 0.000 0.790 81 L CB -0.468 40.882 42.059 -1.182 0.000 0.919 81 L HN 0.288 nan 8.230 nan 0.000 0.443 82 G N -1.696 106.973 108.800 -0.218 0.000 2.182 82 G HA2 -0.240 3.721 3.960 0.001 0.000 0.248 82 G HA3 -0.240 3.721 3.960 0.001 0.000 0.248 82 G C -0.003 175.031 174.900 0.223 0.000 1.042 82 G CA 0.008 45.090 45.100 -0.028 0.000 0.775 82 G HN 0.349 nan 8.290 nan 0.000 0.501 83 W N -1.193 120.069 121.300 -0.063 0.000 3.008 83 W HA 0.402 5.062 4.660 0.001 0.000 0.355 83 W C 1.547 177.923 176.519 -0.238 0.000 1.095 83 W CA -0.883 56.348 57.345 -0.191 0.000 1.738 83 W CB -0.873 28.500 29.460 -0.145 0.000 1.091 83 W HN 0.360 nan 8.180 nan 0.000 0.574 84 Y N 2.067 122.372 120.300 0.008 0.000 2.097 84 Y HA -0.359 4.192 4.550 0.001 0.000 0.282 84 Y C 2.725 178.558 175.900 -0.111 0.000 1.152 84 Y CA 2.974 61.049 58.100 -0.041 0.000 1.136 84 Y CB -0.424 38.028 38.460 -0.014 0.000 0.975 84 Y HN -0.001 nan 8.280 nan 0.000 0.498 85 Q N 0.275 120.153 119.800 0.130 0.000 2.167 85 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 85 Q C 1.591 177.498 176.000 -0.155 0.000 0.970 85 Q CA 2.074 57.898 55.803 0.036 0.000 0.855 85 Q CB -0.314 28.461 28.738 0.061 0.000 0.911 85 Q HN 0.432 nan 8.270 nan 0.000 0.438 86 D N -0.859 119.359 120.400 -0.304 0.000 2.117 86 D HA -0.110 4.531 4.640 0.001 0.000 0.198 86 D C 1.778 177.627 176.300 -0.751 0.000 0.982 86 D CA 1.214 54.880 54.000 -0.558 0.000 0.828 86 D CB -0.018 40.204 40.800 -0.963 0.000 0.967 86 D HN 0.176 nan 8.370 nan 0.000 0.464 87 V N 0.646 120.062 119.914 -0.830 0.000 2.453 87 V HA -0.202 3.918 4.120 0.001 0.000 0.247 87 V C 2.531 178.387 176.094 -0.398 0.000 1.048 87 V CA 1.425 63.278 62.300 -0.745 0.000 1.049 87 V CB -0.444 31.008 31.823 -0.618 0.000 0.672 87 V HN 0.201 nan 8.190 nan 0.000 0.457 88 Q N -0.254 119.341 119.800 -0.342 0.000 2.135 88 Q HA -0.264 4.077 4.340 0.001 0.000 0.204 88 Q C 1.775 177.711 176.000 -0.106 0.000 0.981 88 Q CA 2.080 57.758 55.803 -0.209 0.000 0.856 88 Q CB -0.036 28.597 28.738 -0.174 0.000 0.902 88 Q HN 0.632 nan 8.270 nan 0.000 0.425 89 D N -0.606 119.726 120.400 -0.114 0.000 2.137 89 D HA -0.045 4.595 4.640 0.001 0.000 0.202 89 D C 1.927 178.232 176.300 0.009 0.000 0.970 89 D CA 1.011 54.984 54.000 -0.046 0.000 0.837 89 D CB -0.200 40.571 40.800 -0.048 0.000 0.981 89 D HN 0.097 nan 8.370 nan 0.000 0.475 90 S N 0.167 115.868 115.700 0.001 0.000 2.442 90 S HA -0.015 4.456 4.470 0.001 0.000 0.236 90 S C 1.957 176.760 174.600 0.338 0.000 1.007 90 S CA 0.464 58.772 58.200 0.180 0.000 0.965 90 S CB 0.002 63.324 63.200 0.204 0.000 0.773 90 S HN 0.241 nan 8.310 nan 0.000 0.504 91 L N 0.388 121.745 121.223 0.223 0.000 2.477 91 L HA 0.149 4.490 4.340 0.001 0.000 0.220 91 L C 2.250 179.225 176.870 0.175 0.000 1.106 91 L CA 0.431 55.446 54.840 0.291 0.000 0.851 91 L CB -0.180 41.946 42.059 0.111 0.000 0.994 91 L HN 0.145 nan 8.230 nan 0.000 0.462 92 K N 0.713 121.164 120.400 0.084 0.000 2.103 92 K HA -0.162 4.158 4.320 0.001 0.000 0.207 92 K C 2.087 178.700 176.600 0.021 0.000 1.048 92 K CA 1.452 57.757 56.287 0.030 0.000 0.930 92 K CB -0.114 32.393 32.500 0.011 0.000 0.716 92 K HN 0.288 nan 8.250 nan 0.000 0.444 93 A N -0.018 122.810 122.820 0.012 0.000 2.121 93 A HA -0.135 4.186 4.320 0.001 0.000 0.218 93 A C 1.134 178.596 177.584 -0.203 0.000 1.154 93 A CA 1.091 53.061 52.037 -0.112 0.000 0.679 93 A CB -0.369 18.517 19.000 -0.191 0.000 0.795 93 A HN 0.321 nan 8.150 nan 0.000 0.458 94 Y N -0.376 119.949 120.300 0.042 0.000 2.458 94 Y HA 0.147 4.698 4.550 0.001 0.000 0.256 94 Y C 0.089 175.940 175.900 -0.082 0.000 1.159 94 Y CA -0.277 57.845 58.100 0.037 0.000 1.261 94 Y CB 0.365 38.895 38.460 0.116 0.000 1.119 94 Y HN 0.339 nan 8.280 nan 0.000 0.524 95 D N 0.250 120.665 120.400 0.025 0.000 2.870 95 D HA -0.168 4.473 4.640 0.001 0.000 0.228 95 D C -0.679 175.541 176.300 -0.133 0.000 1.147 95 D CA 0.631 54.608 54.000 -0.039 0.000 0.757 95 D CB -1.102 39.686 40.800 -0.020 0.000 1.091 95 D HN 0.168 nan 8.370 nan 0.000 0.429 96 I N 1.113 121.572 120.570 -0.184 0.000 2.362 96 I HA 0.168 4.338 4.170 0.001 0.000 0.289 96 I C 0.756 176.782 176.117 -0.151 0.000 0.994 96 I CA -0.708 60.409 61.300 -0.306 0.000 1.158 96 I CB 1.363 39.004 38.000 -0.598 0.000 1.315 96 I HN -0.119 nan 8.210 nan 0.000 0.451 97 N N 4.939 123.571 118.700 -0.115 0.000 2.415 97 N HA 0.099 4.839 4.740 0.001 0.000 0.246 97 N C 1.023 176.507 175.510 -0.044 0.000 1.078 97 N CA -0.380 52.637 53.050 -0.056 0.000 0.942 97 N CB 0.758 39.229 38.487 -0.027 0.000 1.140 97 N HN 0.520 nan 8.380 nan 0.000 0.501 98 L N 3.558 124.749 121.223 -0.053 0.000 2.021 98 L HA -0.198 4.142 4.340 0.001 0.000 0.215 98 L C 1.782 178.662 176.870 0.017 0.000 1.074 98 L CA 2.015 56.818 54.840 -0.062 0.000 0.760 98 L CB -1.062 40.867 42.059 -0.216 0.000 0.889 98 L HN 0.655 nan 8.230 nan 0.000 0.433 99 T N -0.531 114.058 114.554 0.059 0.000 2.720 99 T HA -0.165 4.186 4.350 0.001 0.000 0.268 99 T C 1.449 176.200 174.700 0.086 0.000 1.037 99 T CA 1.579 63.748 62.100 0.115 0.000 1.144 99 T CB -0.356 68.582 68.868 0.117 0.000 0.864 99 T HN 0.424 nan 8.240 nan 0.000 0.444 100 D N 0.905 121.339 120.400 0.057 0.000 2.117 100 D HA 0.000 4.641 4.640 0.001 0.000 0.198 100 D C 2.041 178.382 176.300 0.068 0.000 0.982 100 D CA 0.451 54.482 54.000 0.051 0.000 0.828 100 D CB -0.563 40.254 40.800 0.028 0.000 0.967 100 D HN 0.267 nan 8.370 nan 0.000 0.464 101 L N 0.383 121.652 121.223 0.077 0.000 2.079 101 L HA -0.136 4.205 4.340 0.001 0.000 0.210 101 L C 2.076 179.083 176.870 0.228 0.000 1.081 101 L CA 1.011 55.944 54.840 0.156 0.000 0.752 101 L CB -0.093 42.063 42.059 0.162 0.000 0.896 101 L HN 0.014 nan 8.230 nan 0.000 0.433 102 L N -0.530 120.809 121.223 0.194 0.000 2.201 102 L HA -0.142 4.199 4.340 0.001 0.000 0.212 102 L C 2.400 179.290 176.870 0.033 0.000 1.105 102 L CA 0.731 55.692 54.840 0.203 0.000 0.775 102 L CB -0.630 41.551 42.059 0.203 0.000 0.913 102 L HN 0.302 nan 8.230 nan 0.000 0.440 103 E N 0.173 120.389 120.200 0.027 0.000 2.472 103 E HA -0.162 4.188 4.350 0.001 0.000 0.200 103 E C 1.686 178.236 176.600 -0.084 0.000 1.046 103 E CA 0.494 56.888 56.400 -0.010 0.000 0.871 103 E CB 0.022 29.746 29.700 0.040 0.000 0.806 103 E HN 0.488 nan 8.360 nan 0.000 0.533 104 E N 0.874 120.986 120.200 -0.147 0.000 2.274 104 E HA -0.089 4.262 4.350 0.001 0.000 0.194 104 E C 0.640 176.891 176.600 -0.582 0.000 0.996 104 E CA 0.214 56.475 56.400 -0.232 0.000 0.840 104 E CB -0.044 29.617 29.700 -0.066 0.000 0.772 104 E HN 0.365 nan 8.360 nan 0.000 0.491 105 E N 1.121 120.791 120.200 -0.883 0.000 2.299 105 E HA 0.080 4.430 4.350 0.001 0.000 0.272 105 E C -0.393 176.016 176.600 -0.318 0.000 1.043 105 E CA -0.165 55.648 56.400 -0.978 0.000 0.895 105 E CB 0.369 29.720 29.700 -0.583 0.000 1.011 105 E HN -0.007 nan 8.360 nan 0.000 0.432 106 I N 4.614 125.084 120.570 -0.166 0.000 2.416 106 I HA 0.011 4.181 4.170 0.001 0.000 0.288 106 I C -0.006 176.137 176.117 0.044 0.000 1.051 106 I CA -0.529 60.773 61.300 0.003 0.000 1.375 106 I CB 0.723 38.784 38.000 0.101 0.000 1.407 106 I HN 0.519 nan 8.210 nan 0.000 0.516 107 D N 8.992 129.375 120.400 -0.028 0.000 2.531 107 D HA 0.032 4.672 4.640 0.001 0.000 0.239 107 D C -2.269 173.874 176.300 -0.261 0.000 1.144 107 D CA -0.525 53.413 54.000 -0.102 0.000 0.869 107 D CB 0.107 40.826 40.800 -0.135 0.000 1.160 107 D HN 0.213 nan 8.370 nan 0.000 0.484 108 P HA 0.044 nan 4.420 nan 0.000 0.258 108 P C -0.773 175.862 177.300 -1.108 0.000 1.187 108 P CA 0.088 62.414 63.100 -1.291 0.000 0.767 108 P CB 0.412 31.397 31.700 -1.191 0.000 0.770 109 A N 4.648 126.568 122.820 -1.500 0.000 3.056 109 A HA 0.234 4.554 4.320 0.001 0.000 0.274 109 A C 0.580 177.915 177.584 -0.416 0.000 1.661 109 A CA -0.011 51.628 52.037 -0.664 0.000 1.363 109 A CB -1.052 17.744 19.000 -0.340 0.000 1.139 109 A HN 0.605 nan 8.150 nan 0.000 0.598 110 L N 0.760 121.791 121.223 -0.321 0.000 3.184 110 L HA 0.399 4.740 4.340 0.001 0.000 0.283 110 L C 0.889 177.764 176.870 0.008 0.000 1.218 110 L CA 0.150 54.968 54.840 -0.036 0.000 1.028 110 L CB 0.673 42.681 42.059 -0.084 0.000 1.400 110 L HN 0.660 nan 8.230 nan 0.000 0.591 111 G N -1.111 107.620 108.800 -0.116 0.000 2.645 111 G HA2 0.218 4.178 3.960 0.001 0.000 0.292 111 G HA3 0.218 4.178 3.960 0.001 0.000 0.292 111 G C -0.550 174.270 174.900 -0.133 0.000 1.415 111 G CA -0.137 44.894 45.100 -0.115 0.000 0.785 111 G HN -0.171 nan 8.290 nan 0.000 0.483 112 N N -1.775 116.892 118.700 -0.055 0.000 2.663 112 N HA 0.332 5.073 4.740 0.001 0.000 0.250 112 N C 0.868 176.405 175.510 0.046 0.000 1.043 112 N CA 1.394 54.449 53.050 0.009 0.000 0.929 112 N CB 1.079 39.677 38.487 0.184 0.000 1.665 112 N HN 0.981 nan 8.380 nan 0.000 0.484 113 G N -1.342 107.499 108.800 0.068 0.000 2.827 113 G HA2 0.362 4.323 3.960 0.001 0.000 0.202 113 G HA3 0.362 4.323 3.960 0.001 0.000 0.202 113 G C 0.478 175.399 174.900 0.034 0.000 1.185 113 G CA 0.181 45.325 45.100 0.073 0.000 0.920 113 G HN 0.182 nan 8.290 nan 0.000 0.550 114 G N -0.225 108.594 108.800 0.031 0.000 2.443 114 G HA2 0.057 4.018 3.960 0.001 0.000 0.219 114 G HA3 0.057 4.018 3.960 0.001 0.000 0.219 114 G C 1.721 176.582 174.900 -0.064 0.000 1.131 114 G CA 1.569 46.662 45.100 -0.012 0.000 0.775 114 G HN 0.584 nan 8.290 nan 0.000 0.547 115 L N 1.355 122.531 121.223 -0.079 0.000 2.044 115 L HA 0.240 4.580 4.340 0.001 0.000 0.205 115 L C 2.729 179.485 176.870 -0.190 0.000 1.075 115 L CA 2.388 57.105 54.840 -0.206 0.000 0.747 115 L CB -1.042 40.881 42.059 -0.226 0.000 0.903 115 L HN 0.111 nan 8.230 nan 0.000 0.435 116 G N -0.787 107.945 108.800 -0.114 0.000 2.446 116 G HA2 -0.350 3.611 3.960 0.001 0.000 0.217 116 G HA3 -0.350 3.611 3.960 0.001 0.000 0.217 116 G C 1.756 176.587 174.900 -0.114 0.000 1.168 116 G CA 0.895 45.908 45.100 -0.144 0.000 0.771 116 G HN 0.355 nan 8.290 nan 0.000 0.551 117 R N -0.037 120.427 120.500 -0.060 0.000 2.092 117 R HA 0.081 4.422 4.340 0.001 0.000 0.231 117 R C 2.410 178.672 176.300 -0.064 0.000 1.119 117 R CA 0.977 57.074 56.100 -0.005 0.000 0.970 117 R CB -0.960 29.363 30.300 0.038 0.000 0.864 117 R HN 0.352 nan 8.270 nan 0.000 0.440 118 L N 0.114 121.229 121.223 -0.180 0.000 2.017 118 L HA -0.046 4.295 4.340 0.001 0.000 0.208 118 L C 2.108 178.667 176.870 -0.518 0.000 1.073 118 L CA 2.241 56.840 54.840 -0.402 0.000 0.745 118 L CB -0.898 40.888 42.059 -0.455 0.000 0.894 118 L HN 0.261 nan 8.230 nan 0.000 0.432 119 A N -0.681 121.938 122.820 -0.335 0.000 1.908 119 A HA -0.176 4.145 4.320 0.001 0.000 0.218 119 A C 2.429 180.007 177.584 -0.011 0.000 1.181 119 A CA 1.961 53.847 52.037 -0.252 0.000 0.627 119 A CB -1.152 17.544 19.000 -0.507 0.000 0.818 119 A HN 0.576 nan 8.150 nan 0.000 0.445 120 A N -1.102 121.748 122.820 0.050 0.000 1.898 120 A HA -0.139 4.181 4.320 0.001 0.000 0.216 120 A C 2.321 179.977 177.584 0.120 0.000 1.181 120 A CA 1.597 53.723 52.037 0.147 0.000 0.620 120 A CB -1.264 17.806 19.000 0.117 0.000 0.819 120 A HN 0.596 nan 8.150 nan 0.000 0.442 121 C N -1.358 118.013 119.300 0.118 0.000 2.432 121 C HA -0.092 4.369 4.460 0.001 0.000 0.277 121 C C 2.440 177.613 174.990 0.306 0.000 1.249 121 C CA 0.764 59.905 59.018 0.206 0.000 1.725 121 C CB -1.630 26.250 27.740 0.233 0.000 2.028 121 C HN 0.613 nan 8.230 nan 0.000 0.477 122 F N 1.213 121.153 119.950 -0.016 0.000 2.126 122 F HA -0.091 4.437 4.527 0.001 0.000 0.299 122 F C 2.244 177.987 175.800 -0.096 0.000 1.096 122 F CA 1.030 58.976 58.000 -0.089 0.000 1.255 122 F CB -1.465 37.356 39.000 -0.297 0.000 0.997 122 F HN 0.213 nan 8.300 nan 0.000 0.479 123 L N -0.440 120.857 121.223 0.123 0.000 2.046 123 L HA -0.236 4.105 4.340 0.001 0.000 0.208 123 L C 2.430 179.315 176.870 0.025 0.000 1.077 123 L CA 1.867 56.731 54.840 0.041 0.000 0.747 123 L CB -0.782 41.305 42.059 0.048 0.000 0.896 123 L HN 0.173 nan 8.230 nan 0.000 0.432 124 D N -0.109 120.321 120.400 0.050 0.000 2.104 124 D HA -0.181 4.460 4.640 0.001 0.000 0.194 124 D C 2.087 178.404 176.300 0.029 0.000 0.994 124 D CA 1.748 55.762 54.000 0.024 0.000 0.830 124 D CB 0.293 41.109 40.800 0.027 0.000 0.959 124 D HN 0.213 nan 8.370 nan 0.000 0.452 125 S N -0.002 115.735 115.700 0.062 0.000 2.359 125 S HA -0.147 4.324 4.470 0.001 0.000 0.224 125 S C 2.169 176.775 174.600 0.009 0.000 1.035 125 S CA 1.178 59.402 58.200 0.040 0.000 1.018 125 S CB -0.205 63.029 63.200 0.057 0.000 0.876 125 S HN 0.360 nan 8.310 nan 0.000 0.448 126 M N 0.841 120.438 119.600 -0.005 0.000 2.159 126 M HA -0.111 4.370 4.480 0.001 0.000 0.263 126 M C 2.460 178.742 176.300 -0.029 0.000 1.063 126 M CA 1.384 56.669 55.300 -0.025 0.000 1.110 126 M CB -0.560 31.998 32.600 -0.070 0.000 1.374 126 M HN 0.401 nan 8.290 nan 0.000 0.411 127 A N -0.204 122.599 122.820 -0.030 0.000 1.902 127 A HA -0.144 4.176 4.320 0.001 0.000 0.217 127 A C 2.197 179.765 177.584 -0.026 0.000 1.181 127 A CA 2.207 54.222 52.037 -0.036 0.000 0.623 127 A CB -1.064 17.910 19.000 -0.043 0.000 0.818 127 A HN 0.424 nan 8.150 nan 0.000 0.443 128 T N -0.238 114.313 114.554 -0.006 0.000 2.777 128 T HA -0.078 4.273 4.350 0.001 0.000 0.266 128 T C 1.737 176.441 174.700 0.007 0.000 1.040 128 T CA 1.789 63.899 62.100 0.015 0.000 1.141 128 T CB -0.435 68.454 68.868 0.035 0.000 0.868 128 T HN 0.626 nan 8.240 nan 0.000 0.444 129 V N -0.571 119.344 119.914 0.002 0.000 3.646 129 V HA 0.499 4.620 4.120 0.001 0.000 0.277 129 V C 1.493 177.584 176.094 -0.004 0.000 1.274 129 V CA 0.265 62.567 62.300 0.003 0.000 1.164 129 V CB -1.188 30.641 31.823 0.010 0.000 0.926 129 V HN 0.533 nan 8.190 nan 0.000 0.442 130 G N 0.755 109.544 108.800 -0.018 0.000 2.225 130 G HA2 -0.359 3.602 3.960 0.001 0.000 0.267 130 G HA3 -0.359 3.602 3.960 0.001 0.000 0.267 130 G C 0.143 175.038 174.900 -0.009 0.000 1.024 130 G CA 0.645 45.729 45.100 -0.026 0.000 0.784 130 G HN 0.977 nan 8.290 nan 0.000 0.507 131 Q N 1.094 120.889 119.800 -0.007 0.000 2.348 131 Q HA 0.536 4.877 4.340 0.001 0.000 0.251 131 Q C 0.720 176.683 176.000 -0.061 0.000 1.113 131 Q CA 0.357 56.152 55.803 -0.013 0.000 0.902 131 Q CB 0.406 29.149 28.738 0.009 0.000 1.333 131 Q HN 0.447 nan 8.270 nan 0.000 0.457 132 S N 3.159 118.843 115.700 -0.026 0.000 2.575 132 S HA 0.437 4.907 4.470 0.001 0.000 0.295 132 S C -0.777 173.627 174.600 -0.326 0.000 1.267 132 S CA 0.494 58.696 58.200 0.003 0.000 1.074 132 S CB -0.437 62.891 63.200 0.213 0.000 0.829 132 S HN 0.776 nan 8.310 nan 0.000 0.497 133 A N 4.353 126.946 122.820 -0.378 0.000 2.604 133 A HA 0.698 5.019 4.320 0.001 0.000 0.295 133 A C -0.696 176.719 177.584 -0.280 0.000 1.067 133 A CA -0.802 50.864 52.037 -0.618 0.000 0.683 133 A CB 1.703 20.482 19.000 -0.369 0.000 1.281 133 A HN 0.650 nan 8.150 nan 0.000 0.407 134 T N 0.887 115.306 114.554 -0.225 0.000 2.879 134 T HA 0.636 4.987 4.350 0.001 0.000 0.290 134 T C 0.265 174.805 174.700 -0.268 0.000 0.993 134 T CA 0.096 62.070 62.100 -0.210 0.000 0.975 134 T CB 1.682 70.417 68.868 -0.223 0.000 0.981 134 T HN 1.304 nan 8.240 nan 0.000 0.439 135 G N 1.442 110.068 108.800 -0.291 0.000 2.415 135 G HA2 0.539 4.500 3.960 0.001 0.000 0.269 135 G HA3 0.539 4.500 3.960 0.001 0.000 0.269 135 G C -1.496 173.145 174.900 -0.432 0.000 1.209 135 G CA -0.203 44.779 45.100 -0.195 0.000 0.835 135 G HN 0.611 nan 8.290 nan 0.000 0.534 136 Y N 0.629 121.009 120.300 0.134 0.000 2.329 136 Y HA 0.588 5.139 4.550 0.001 0.000 0.328 136 Y C 0.710 176.812 175.900 0.336 0.000 0.992 136 Y CA -0.218 57.978 58.100 0.159 0.000 1.151 136 Y CB 2.297 40.943 38.460 0.310 0.000 1.150 136 Y HN 0.856 nan 8.280 nan 0.000 0.450 137 G N 2.199 111.188 108.800 0.315 0.000 3.021 137 G HA2 0.741 4.702 3.960 0.001 0.000 0.290 137 G HA3 0.741 4.702 3.960 0.001 0.000 0.290 137 G C -1.836 173.220 174.900 0.260 0.000 1.291 137 G CA -0.951 44.409 45.100 0.433 0.000 0.834 137 G HN 0.393 nan 8.290 nan 0.000 0.564 138 L N 0.358 121.632 121.223 0.084 0.000 2.362 138 L HA 0.430 4.771 4.340 0.001 0.000 0.271 138 L C -0.211 176.465 176.870 -0.324 0.000 1.002 138 L CA -0.672 54.084 54.840 -0.140 0.000 0.818 138 L CB 2.357 44.144 42.059 -0.453 0.000 1.298 138 L HN 0.606 nan 8.230 nan 0.000 0.420 139 N N 2.235 120.858 118.700 -0.129 0.000 3.034 139 N HA 0.164 4.904 4.740 0.001 0.000 0.265 139 N C -1.110 174.397 175.510 -0.003 0.000 1.166 139 N CA -0.523 52.528 53.050 0.002 0.000 1.081 139 N CB 0.222 38.703 38.487 -0.009 0.000 1.378 139 N HN 0.349 nan 8.380 nan 0.000 0.520 140 Y N 0.956 121.387 120.300 0.218 0.000 2.526 140 Y HA -0.074 4.476 4.550 0.001 0.000 0.330 140 Y C 1.802 177.841 175.900 0.232 0.000 1.156 140 Y CA 0.071 58.276 58.100 0.174 0.000 1.419 140 Y CB 0.638 39.179 38.460 0.135 0.000 1.250 140 Y HN 0.456 nan 8.280 nan 0.000 0.540 141 Q N 1.681 121.566 119.800 0.141 0.000 2.123 141 Q HA -0.151 4.190 4.340 0.001 0.000 0.199 141 Q C 0.021 175.899 176.000 -0.204 0.000 0.966 141 Q CA 1.579 57.215 55.803 -0.279 0.000 0.845 141 Q CB 0.107 28.434 28.738 -0.684 0.000 0.907 141 Q HN 0.875 nan 8.270 nan 0.000 0.439 142 Y N -1.528 118.952 120.300 0.300 0.000 2.717 142 Y HA 0.329 4.880 4.550 0.001 0.000 0.250 142 Y C 0.877 176.881 175.900 0.174 0.000 1.149 142 Y CA 0.019 58.257 58.100 0.231 0.000 1.211 142 Y CB 0.840 39.382 38.460 0.137 0.000 1.289 142 Y HN 0.243 nan 8.280 nan 0.000 0.552 143 G N 1.166 110.132 108.800 0.277 0.000 2.596 143 G HA2 -0.401 3.560 3.960 0.001 0.000 0.295 143 G HA3 -0.401 3.560 3.960 0.001 0.000 0.295 143 G C 0.761 175.616 174.900 -0.074 0.000 1.240 143 G CA 0.831 45.942 45.100 0.019 0.000 0.985 143 G HN 0.319 nan 8.290 nan 0.000 0.555 144 L N -0.158 120.990 121.223 -0.125 0.000 2.115 144 L HA 0.659 4.999 4.340 0.001 0.000 0.200 144 L C 0.860 177.802 176.870 0.120 0.000 1.094 144 L CA 2.460 57.247 54.840 -0.088 0.000 0.769 144 L CB -0.050 41.870 42.059 -0.232 0.000 0.931 144 L HN 1.278 nan 8.230 nan 0.000 0.455 145 F N -2.722 117.231 119.950 0.005 0.000 2.769 145 F HA 0.372 4.900 4.527 0.001 0.000 0.313 145 F C -0.645 175.155 175.800 0.000 0.000 1.146 145 F CA -1.480 56.525 58.000 0.008 0.000 0.934 145 F CB 0.510 39.507 39.000 -0.004 0.000 1.283 145 F HN -0.135 nan 8.300 nan 0.000 0.443 146 R N 2.329 122.963 120.500 0.224 0.000 2.234 146 R HA 0.313 4.654 4.340 0.001 0.000 0.324 146 R C -0.676 175.781 176.300 0.263 0.000 1.054 146 R CA -0.331 55.850 56.100 0.135 0.000 0.912 146 R CB 1.001 31.351 30.300 0.084 0.000 1.030 146 R HN 0.883 nan 8.270 nan 0.000 0.455 147 Q N 2.940 122.838 119.800 0.164 0.000 2.243 147 Q HA 0.278 4.619 4.340 0.001 0.000 0.252 147 Q C -1.192 174.699 176.000 -0.182 0.000 0.909 147 Q CA -0.411 55.464 55.803 0.120 0.000 0.922 147 Q CB 1.337 30.144 28.738 0.115 0.000 1.215 147 Q HN 0.834 nan 8.270 nan 0.000 0.427 148 S N 2.205 117.739 115.700 -0.277 0.000 2.661 148 S HA 0.712 5.183 4.470 0.001 0.000 0.285 148 S C -1.155 173.164 174.600 -0.469 0.000 1.138 148 S CA -0.773 57.187 58.200 -0.400 0.000 0.855 148 S CB 0.952 64.054 63.200 -0.163 0.000 1.136 148 S HN 0.399 nan 8.310 nan 0.000 0.484 149 F N 0.519 120.432 119.950 -0.061 0.000 2.467 149 F HA 0.677 5.205 4.527 0.001 0.000 0.336 149 F C -0.460 175.308 175.800 -0.053 0.000 1.123 149 F CA -1.248 56.701 58.000 -0.085 0.000 0.964 149 F CB 1.993 40.923 39.000 -0.117 0.000 1.136 149 F HN 0.419 nan 8.300 nan 0.000 0.447 150 V N 3.217 123.213 119.914 0.137 0.000 2.443 150 V HA 0.304 4.424 4.120 0.001 0.000 0.293 150 V C -0.709 175.414 176.094 0.047 0.000 1.021 150 V CA -1.128 61.210 62.300 0.063 0.000 0.848 150 V CB 1.443 33.275 31.823 0.015 0.000 0.998 150 V HN 0.790 nan 8.190 nan 0.000 0.424 151 D N 4.163 124.601 120.400 0.062 0.000 2.772 151 D HA -0.196 4.445 4.640 0.001 0.000 0.233 151 D C 1.328 177.716 176.300 0.146 0.000 1.143 151 D CA 1.651 55.699 54.000 0.080 0.000 0.700 151 D CB -1.153 39.671 40.800 0.040 0.000 1.076 151 D HN 1.445 nan 8.370 nan 0.000 0.430 152 G N -0.731 108.142 108.800 0.122 0.000 2.184 152 G HA2 -0.370 3.590 3.960 0.001 0.000 0.264 152 G HA3 -0.370 3.590 3.960 0.001 0.000 0.264 152 G C 0.264 175.211 174.900 0.078 0.000 0.975 152 G CA 0.824 45.993 45.100 0.114 0.000 0.642 152 G HN 0.490 nan 8.290 nan 0.000 0.536 153 K N 0.528 120.947 120.400 0.033 0.000 2.182 153 K HA 0.433 4.753 4.320 0.001 0.000 0.262 153 K C 0.447 177.120 176.600 0.121 0.000 0.957 153 K CA -0.670 55.595 56.287 -0.037 0.000 0.842 153 K CB 1.565 33.930 32.500 -0.226 0.000 1.099 153 K HN 0.313 nan 8.250 nan 0.000 0.438 154 Q N 2.315 122.203 119.800 0.146 0.000 2.262 154 Q HA -0.009 4.332 4.340 0.001 0.000 0.298 154 Q C -1.030 174.952 176.000 -0.030 0.000 1.083 154 Q CA 0.175 56.058 55.803 0.134 0.000 0.962 154 Q CB 0.405 29.185 28.738 0.071 0.000 1.104 154 Q HN 0.280 nan 8.270 nan 0.000 0.376 155 V N 4.777 124.650 119.914 -0.069 0.000 2.495 155 V HA 0.293 4.413 4.120 0.001 0.000 0.298 155 V C -0.872 175.113 176.094 -0.182 0.000 1.031 155 V CA -0.722 61.505 62.300 -0.123 0.000 0.871 155 V CB 1.961 33.737 31.823 -0.078 0.000 0.988 155 V HN 0.828 nan 8.190 nan 0.000 0.432 156 E N 3.021 123.053 120.200 -0.280 0.000 2.133 156 E HA 0.726 5.077 4.350 0.001 0.000 0.274 156 E C -0.280 176.250 176.600 -0.117 0.000 0.930 156 E CA -0.126 56.048 56.400 -0.376 0.000 0.770 156 E CB 1.845 31.073 29.700 -0.787 0.000 1.104 156 E HN 0.877 nan 8.360 nan 0.000 0.403 157 A N 3.950 126.783 122.820 0.022 0.000 2.386 157 A HA 0.764 5.084 4.320 0.001 0.000 0.308 157 A C -2.546 175.070 177.584 0.054 0.000 1.128 157 A CA -2.064 49.979 52.037 0.009 0.000 0.789 157 A CB 0.742 19.743 19.000 0.001 0.000 1.325 157 A HN 0.387 nan 8.150 nan 0.000 0.437 158 P HA 0.104 nan 4.420 nan 0.000 0.267 158 P C -0.902 176.463 177.300 0.109 0.000 1.205 158 P CA 0.262 63.330 63.100 -0.055 0.000 0.765 158 P CB 0.391 31.809 31.700 -0.469 0.000 0.828 159 D N 2.391 122.923 120.400 0.219 0.000 2.619 159 D HA 0.016 4.656 4.640 0.001 0.000 0.224 159 D C -0.391 176.124 176.300 0.359 0.000 1.133 159 D CA -0.062 54.065 54.000 0.212 0.000 1.017 159 D CB -0.709 40.162 40.800 0.119 0.000 1.077 159 D HN 0.163 nan 8.370 nan 0.000 0.503 160 D N 2.072 122.661 120.400 0.316 0.000 2.371 160 D HA -0.054 4.587 4.640 0.001 0.000 0.256 160 D C 0.584 176.919 176.300 0.059 0.000 1.193 160 D CA -0.333 53.807 54.000 0.233 0.000 0.881 160 D CB 0.351 41.247 40.800 0.161 0.000 1.143 160 D HN 0.472 nan 8.370 nan 0.000 0.473 161 W N 4.490 125.678 121.300 -0.187 0.000 2.653 161 W HA 0.190 4.851 4.660 0.001 0.000 0.391 161 W C -0.512 175.981 176.519 -0.044 0.000 0.962 161 W CA -0.449 56.800 57.345 -0.160 0.000 1.900 161 W CB -1.068 28.361 29.460 -0.052 0.000 1.176 161 W HN 0.437 nan 8.180 nan 0.000 0.582 162 H N 1.014 119.983 119.070 -0.167 0.000 2.826 162 H HA -0.223 4.334 4.556 0.001 0.000 0.306 162 H C 1.847 176.910 175.328 -0.441 0.000 1.235 162 H CA 1.320 57.253 56.048 -0.191 0.000 1.150 162 H CB -1.864 27.934 29.762 0.060 0.000 1.409 162 H HN 0.404 nan 8.280 nan 0.000 0.420 163 R N 1.027 120.907 120.500 -1.033 0.000 2.113 163 R HA -0.207 4.134 4.340 0.001 0.000 0.244 163 R C 2.102 178.105 176.300 -0.496 0.000 1.142 163 R CA 2.561 57.856 56.100 -1.342 0.000 0.953 163 R CB -0.107 29.396 30.300 -1.329 0.000 0.860 163 R HN 0.442 nan 8.270 nan 0.000 0.438 164 S N -0.312 115.135 115.700 -0.421 0.000 2.474 164 S HA -0.002 4.468 4.470 0.001 0.000 0.235 164 S C 1.202 175.779 174.600 -0.039 0.000 0.997 164 S CA 0.835 58.826 58.200 -0.348 0.000 0.949 164 S CB -0.007 63.023 63.200 -0.283 0.000 0.766 164 S HN 0.392 nan 8.310 nan 0.000 0.517 165 N N 0.180 118.912 118.700 0.054 0.000 2.214 165 N HA 0.174 4.914 4.740 0.001 0.000 0.214 165 N C -0.784 174.877 175.510 0.252 0.000 1.132 165 N CA -0.168 52.970 53.050 0.146 0.000 0.856 165 N CB 0.090 38.633 38.487 0.094 0.000 1.020 165 N HN 0.503 nan 8.380 nan 0.000 0.509 166 Y N 3.967 124.418 120.300 0.253 0.000 2.569 166 Y HA 0.109 4.660 4.550 0.001 0.000 0.332 166 Y C -1.233 174.824 175.900 0.261 0.000 1.120 166 Y CA -1.352 56.952 58.100 0.340 0.000 1.416 166 Y CB 1.030 39.727 38.460 0.396 0.000 1.210 166 Y HN 0.067 nan 8.280 nan 0.000 0.528 167 P HA -0.104 nan 4.420 nan 0.000 0.233 167 P C 0.452 177.467 177.300 -0.474 0.000 1.167 167 P CA 1.211 64.038 63.100 -0.455 0.000 0.770 167 P CB 0.033 31.249 31.700 -0.808 0.000 0.837 168 W N -1.376 119.769 121.300 -0.258 0.000 3.139 168 W HA 0.189 4.850 4.660 0.001 0.000 0.260 168 W C 0.627 177.227 176.519 0.134 0.000 1.312 168 W CA -0.525 56.790 57.345 -0.050 0.000 1.606 168 W CB -0.473 28.982 29.460 -0.010 0.000 1.118 168 W HN -0.255 nan 8.180 nan 0.000 0.675 169 F N 1.745 121.939 119.950 0.406 0.000 2.518 169 F HA 0.212 4.740 4.527 0.001 0.000 0.359 169 F C 1.001 176.936 175.800 0.224 0.000 1.118 169 F CA -0.315 57.929 58.000 0.407 0.000 1.287 169 F CB 0.418 39.772 39.000 0.590 0.000 1.132 169 F HN -0.317 nan 8.300 nan 0.000 0.587 170 R N 1.612 122.354 120.500 0.403 0.000 2.562 170 R HA 0.350 4.691 4.340 0.001 0.000 0.298 170 R C -1.476 174.755 176.300 -0.115 0.000 0.961 170 R CA -1.029 55.134 56.100 0.105 0.000 0.881 170 R CB 1.815 32.139 30.300 0.041 0.000 1.159 170 R HN 0.548 nan 8.270 nan 0.000 0.450 171 H N 1.741 120.523 119.070 -0.480 0.000 2.860 171 H HA 0.228 4.784 4.556 0.001 0.000 0.312 171 H C -1.173 173.883 175.328 -0.453 0.000 0.995 171 H CA -0.886 54.681 56.048 -0.802 0.000 1.311 171 H CB 0.709 29.479 29.762 -1.653 0.000 1.478 171 H HN 0.381 nan 8.280 nan 0.000 0.508 172 N N 3.853 122.203 118.700 -0.583 0.000 2.469 172 N HA 0.038 4.778 4.740 0.001 0.000 0.239 172 N C 0.478 175.624 175.510 -0.607 0.000 1.053 172 N CA -0.039 52.706 53.050 -0.508 0.000 0.937 172 N CB 0.617 38.952 38.487 -0.253 0.000 1.163 172 N HN 0.796 nan 8.380 nan 0.000 0.509 173 E N 2.236 122.002 120.200 -0.722 0.000 2.171 173 E HA -0.201 4.149 4.350 0.001 0.000 0.197 173 E C 1.293 177.799 176.600 -0.157 0.000 0.997 173 E CA 1.579 57.735 56.400 -0.407 0.000 0.810 173 E CB 0.026 29.574 29.700 -0.253 0.000 0.738 173 E HN 0.716 nan 8.360 nan 0.000 0.467 174 A N 0.577 123.307 122.820 -0.149 0.000 2.172 174 A HA -0.055 4.266 4.320 0.001 0.000 0.216 174 A C 1.792 179.360 177.584 -0.026 0.000 1.154 174 A CA 0.646 52.639 52.037 -0.074 0.000 0.701 174 A CB -0.242 18.712 19.000 -0.076 0.000 0.789 174 A HN 0.164 nan 8.150 nan 0.000 0.465 175 L N -0.099 121.117 121.223 -0.012 0.000 2.611 175 L HA 0.092 4.433 4.340 0.001 0.000 0.229 175 L C -0.402 176.591 176.870 0.204 0.000 1.137 175 L CA -0.496 54.400 54.840 0.093 0.000 0.901 175 L CB -0.425 41.684 42.059 0.084 0.000 1.098 175 L HN 0.135 nan 8.230 nan 0.000 0.456 176 D N 0.618 121.106 120.400 0.147 0.000 2.449 176 D HA 0.162 4.802 4.640 0.001 0.000 0.236 176 D C -0.143 176.213 176.300 0.093 0.000 1.149 176 D CA 0.550 54.656 54.000 0.177 0.000 0.878 176 D CB 1.688 42.557 40.800 0.114 0.000 1.198 176 D HN -0.247 nan 8.370 nan 0.000 0.446 177 V N 2.740 122.675 119.914 0.034 0.000 2.656 177 V HA 0.199 4.320 4.120 0.001 0.000 0.307 177 V C -0.209 175.835 176.094 -0.083 0.000 1.051 177 V CA -0.934 61.309 62.300 -0.095 0.000 0.893 177 V CB 1.991 33.629 31.823 -0.308 0.000 0.999 177 V HN 0.325 nan 8.190 nan 0.000 0.426 178 Q N 2.930 122.679 119.800 -0.085 0.000 2.274 178 Q HA 0.560 4.901 4.340 0.001 0.000 0.256 178 Q C -0.944 175.010 176.000 -0.077 0.000 0.927 178 Q CA -0.300 55.455 55.803 -0.081 0.000 0.939 178 Q CB 2.256 30.940 28.738 -0.089 0.000 1.201 178 Q HN 0.531 nan 8.270 nan 0.000 0.426 179 V N 1.804 121.694 119.914 -0.039 0.000 2.444 179 V HA 0.523 4.644 4.120 0.001 0.000 0.294 179 V C 0.400 176.543 176.094 0.081 0.000 1.022 179 V CA -0.824 61.488 62.300 0.020 0.000 0.850 179 V CB 1.806 33.660 31.823 0.051 0.000 0.992 179 V HN 0.845 nan 8.190 nan 0.000 0.426 180 G N 3.674 112.518 108.800 0.073 0.000 2.476 180 G HA2 0.732 4.692 3.960 0.001 0.000 0.286 180 G HA3 0.732 4.692 3.960 0.001 0.000 0.286 180 G C -1.033 174.034 174.900 0.278 0.000 1.177 180 G CA -0.308 44.757 45.100 -0.060 0.000 0.870 180 G HN 0.647 nan 8.290 nan 0.000 0.528 181 I N -0.442 120.293 120.570 0.274 0.000 2.918 181 I HA 0.601 4.772 4.170 0.001 0.000 0.301 181 I C 0.606 176.938 176.117 0.360 0.000 1.312 181 I CA 0.631 62.190 61.300 0.432 0.000 1.007 181 I CB 1.941 40.186 38.000 0.407 0.000 1.281 181 I HN 1.275 nan 8.210 nan 0.000 0.440 182 G N 3.595 112.611 108.800 0.360 0.000 2.562 182 G HA2 0.279 4.239 3.960 0.001 0.000 0.250 182 G HA3 0.279 4.239 3.960 0.001 0.000 0.250 182 G C 0.570 175.686 174.900 0.360 0.000 1.269 182 G CA -0.089 45.173 45.100 0.270 0.000 0.919 182 G HN 2.232 nan 8.290 nan 0.000 0.574 183 G N -0.747 108.196 108.800 0.238 0.000 2.512 183 G HA2 0.319 4.280 3.960 0.001 0.000 0.254 183 G HA3 0.319 4.280 3.960 0.001 0.000 0.254 183 G C 0.037 175.083 174.900 0.243 0.000 1.199 183 G CA 1.680 46.910 45.100 0.216 0.000 0.941 183 G HN 2.441 nan 8.290 nan 0.000 0.569 184 K N -1.923 118.642 120.400 0.274 0.000 2.533 184 K HA 0.734 5.055 4.320 0.001 0.000 0.272 184 K C -1.291 175.491 176.600 0.304 0.000 0.985 184 K CA -1.070 55.352 56.287 0.225 0.000 0.876 184 K CB 2.266 34.849 32.500 0.138 0.000 1.452 184 K HN 0.793 nan 8.250 nan 0.000 0.439 185 V N 2.001 122.034 119.914 0.198 0.000 2.394 185 V HA 0.231 4.351 4.120 0.001 0.000 0.282 185 V C 0.466 176.630 176.094 0.117 0.000 1.031 185 V CA -0.548 61.857 62.300 0.175 0.000 0.881 185 V CB 1.231 33.109 31.823 0.092 0.000 0.982 185 V HN 1.011 nan 8.190 nan 0.000 0.451 186 T N 2.414 117.034 114.554 0.110 0.000 2.734 186 T HA 0.141 4.492 4.350 0.001 0.000 0.314 186 T C 1.195 175.931 174.700 0.061 0.000 1.057 186 T CA -0.422 61.724 62.100 0.077 0.000 1.047 186 T CB 0.589 69.498 68.868 0.067 0.000 0.991 186 T HN 0.508 nan 8.240 nan 0.000 0.540 187 K N 1.006 121.434 120.400 0.047 0.000 2.152 187 K HA -0.110 4.211 4.320 0.001 0.000 0.206 187 K C 1.655 178.277 176.600 0.038 0.000 1.048 187 K CA 1.663 57.973 56.287 0.038 0.000 0.933 187 K CB -0.561 31.957 32.500 0.031 0.000 0.721 187 K HN 0.893 nan 8.250 nan 0.000 0.447 188 D N -1.057 119.368 120.400 0.041 0.000 2.328 188 D HA 0.040 4.681 4.640 0.001 0.000 0.226 188 D C 0.912 177.241 176.300 0.049 0.000 1.066 188 D CA 0.692 54.716 54.000 0.040 0.000 0.861 188 D CB 0.043 40.865 40.800 0.036 0.000 0.912 188 D HN 0.240 nan 8.370 nan 0.000 0.521 189 G N 0.502 109.337 108.800 0.058 0.000 2.144 189 G HA2 -0.261 3.700 3.960 0.001 0.000 0.218 189 G HA3 -0.261 3.700 3.960 0.001 0.000 0.218 189 G C 0.026 174.981 174.900 0.092 0.000 0.988 189 G CA -0.441 44.699 45.100 0.067 0.000 0.659 189 G HN 0.408 nan 8.290 nan 0.000 0.522 190 R N -0.750 119.812 120.500 0.103 0.000 2.254 190 R HA 0.376 4.717 4.340 0.001 0.000 0.318 190 R C -0.152 176.275 176.300 0.212 0.000 1.031 190 R CA -0.828 55.350 56.100 0.131 0.000 0.905 190 R CB 0.805 31.158 30.300 0.088 0.000 1.050 190 R HN 0.192 nan 8.270 nan 0.000 0.456 191 W N 4.043 125.355 121.300 0.020 0.000 2.356 191 W HA 0.076 4.737 4.660 0.001 0.000 0.311 191 W C -0.630 175.910 176.519 0.035 0.000 1.328 191 W CA -0.772 56.589 57.345 0.028 0.000 1.251 191 W CB 0.486 29.961 29.460 0.025 0.000 1.280 191 W HN 0.509 nan 8.180 nan 0.000 0.524 192 E N 8.187 128.444 120.200 0.094 0.000 2.121 192 E HA 0.220 4.571 4.350 0.001 0.000 0.255 192 E C -2.147 174.316 176.600 -0.229 0.000 0.906 192 E CA -1.861 54.473 56.400 -0.111 0.000 0.745 192 E CB 1.029 30.734 29.700 0.008 0.000 1.155 192 E HN 0.103 nan 8.360 nan 0.000 0.424 193 P HA -0.054 nan 4.420 nan 0.000 0.272 193 P C 0.323 177.574 177.300 -0.082 0.000 1.223 193 P CA 0.041 62.897 63.100 -0.406 0.000 0.784 193 P CB 0.663 31.980 31.700 -0.639 0.000 0.923 194 E N 1.116 121.359 120.200 0.071 0.000 2.447 194 E HA 0.078 4.429 4.350 0.001 0.000 0.195 194 E C -0.372 176.364 176.600 0.227 0.000 1.028 194 E CA 0.241 56.717 56.400 0.127 0.000 0.876 194 E CB 0.054 29.838 29.700 0.140 0.000 0.885 194 E HN 0.330 nan 8.360 nan 0.000 0.500 195 F N 0.954 120.926 119.950 0.036 0.000 2.596 195 F HA 0.375 4.903 4.527 0.001 0.000 0.311 195 F C -1.511 174.330 175.800 0.068 0.000 1.116 195 F CA -0.594 57.457 58.000 0.086 0.000 0.957 195 F CB 2.476 41.538 39.000 0.103 0.000 1.250 195 F HN -0.291 nan 8.300 nan 0.000 0.444 196 T N 6.970 121.288 114.554 -0.395 0.000 2.786 196 T HA 0.581 4.931 4.350 0.001 0.000 0.283 196 T C -0.393 173.983 174.700 -0.540 0.000 0.992 196 T CA -0.300 61.594 62.100 -0.342 0.000 0.954 196 T CB 0.856 69.567 68.868 -0.261 0.000 0.934 196 T HN 0.369 nan 8.240 nan 0.000 0.440 197 I N 2.759 123.189 120.570 -0.232 0.000 2.353 197 I HA 0.261 4.432 4.170 0.001 0.000 0.293 197 I C 0.632 176.701 176.117 -0.079 0.000 0.992 197 I CA -0.403 60.816 61.300 -0.136 0.000 1.268 197 I CB 1.347 39.389 38.000 0.071 0.000 1.387 197 I HN 0.479 nan 8.210 nan 0.000 0.478 198 T N 5.195 119.685 114.554 -0.106 0.000 2.727 198 T HA 0.354 4.705 4.350 0.001 0.000 0.298 198 T C 0.413 175.222 174.700 0.182 0.000 0.942 198 T CA -0.589 61.510 62.100 -0.001 0.000 0.997 198 T CB 0.683 69.513 68.868 -0.065 0.000 0.917 198 T HN 0.789 nan 8.240 nan 0.000 0.487 199 G N 3.121 112.088 108.800 0.278 0.000 2.339 199 G HA2 0.436 4.397 3.960 0.001 0.000 0.287 199 G HA3 0.436 4.397 3.960 0.001 0.000 0.287 199 G C -0.473 174.696 174.900 0.449 0.000 1.163 199 G CA -0.553 44.832 45.100 0.475 0.000 0.872 199 G HN 0.626 nan 8.290 nan 0.000 0.464 200 Q N 0.374 120.483 119.800 0.515 0.000 2.282 200 Q HA 0.547 4.888 4.340 0.001 0.000 0.260 200 Q C -0.159 176.090 176.000 0.414 0.000 0.964 200 Q CA -0.705 55.338 55.803 0.399 0.000 0.880 200 Q CB 2.410 31.254 28.738 0.177 0.000 1.286 200 Q HN 0.642 nan 8.270 nan 0.000 0.445 201 A N 2.640 125.554 122.820 0.156 0.000 2.279 201 A HA 0.337 4.658 4.320 0.001 0.000 0.306 201 A C -1.483 175.907 177.584 -0.323 0.000 1.300 201 A CA -0.363 51.490 52.037 -0.307 0.000 0.925 201 A CB -0.033 18.688 19.000 -0.464 0.000 1.152 201 A HN 0.670 nan 8.150 nan 0.000 0.544 202 W N 2.426 123.574 121.300 -0.254 0.000 2.283 202 W HA 0.401 5.062 4.660 0.001 0.000 0.317 202 W C -0.809 175.732 176.519 0.035 0.000 1.042 202 W CA -0.228 56.966 57.345 -0.253 0.000 1.348 202 W CB 1.290 30.332 29.460 -0.697 0.000 1.216 202 W HN 0.548 nan 8.180 nan 0.000 0.404 203 D N 3.795 124.342 120.400 0.244 0.000 2.193 203 D HA 0.440 5.080 4.640 0.001 0.000 0.244 203 D C -0.435 176.091 176.300 0.378 0.000 1.064 203 D CA -0.391 53.728 54.000 0.198 0.000 0.845 203 D CB 1.885 42.705 40.800 0.033 0.000 1.148 203 D HN 0.155 nan 8.370 nan 0.000 0.464 204 L N 3.270 124.614 121.223 0.202 0.000 2.329 204 L HA 0.394 4.735 4.340 0.001 0.000 0.279 204 L C -2.249 174.640 176.870 0.033 0.000 1.014 204 L CA -1.930 52.975 54.840 0.108 0.000 0.814 204 L CB 2.169 44.210 42.059 -0.031 0.000 1.257 204 L HN 0.079 nan 8.230 nan 0.000 0.424 205 P HA 0.120 nan 4.420 nan 0.000 0.282 205 P C -0.757 176.484 177.300 -0.098 0.000 1.262 205 P CA -0.257 62.840 63.100 -0.005 0.000 0.773 205 P CB 1.445 33.179 31.700 0.057 0.000 0.879 206 V N 5.286 125.146 119.914 -0.091 0.000 2.348 206 V HA 0.122 4.242 4.120 0.001 0.000 0.270 206 V C 0.571 176.603 176.094 -0.103 0.000 1.037 206 V CA -0.565 61.670 62.300 -0.108 0.000 0.872 206 V CB 1.394 33.166 31.823 -0.085 0.000 1.002 206 V HN 0.281 nan 8.190 nan 0.000 0.464 207 V N 4.991 124.822 119.914 -0.138 0.000 2.383 207 V HA 0.542 4.663 4.120 0.001 0.000 0.275 207 V C 1.050 177.082 176.094 -0.104 0.000 1.036 207 V CA -0.223 61.991 62.300 -0.143 0.000 0.889 207 V CB 1.277 32.973 31.823 -0.212 0.000 0.985 207 V HN 0.908 nan 8.190 nan 0.000 0.459 208 G N 2.687 111.434 108.800 -0.088 0.000 2.572 208 G HA2 0.256 4.217 3.960 0.001 0.000 0.261 208 G HA3 0.256 4.217 3.960 0.001 0.000 0.261 208 G C -0.828 174.053 174.900 -0.031 0.000 1.197 208 G CA -0.318 44.755 45.100 -0.045 0.000 0.870 208 G HN 0.676 nan 8.290 nan 0.000 0.548 209 Y N 1.922 122.151 120.300 -0.119 0.000 2.584 209 Y HA 0.257 4.808 4.550 0.001 0.000 0.351 209 Y C 1.162 176.987 175.900 -0.126 0.000 1.030 209 Y CA -0.455 57.565 58.100 -0.132 0.000 1.332 209 Y CB 0.186 38.567 38.460 -0.132 0.000 1.148 209 Y HN 0.616 nan 8.280 nan 0.000 0.528 210 R N 2.733 122.907 120.500 -0.543 0.000 3.758 210 R HA -0.260 4.081 4.340 0.001 0.000 0.299 210 R C -0.137 176.016 176.300 -0.245 0.000 1.182 210 R CA 1.112 56.919 56.100 -0.490 0.000 0.809 210 R CB -2.565 27.285 30.300 -0.750 0.000 1.249 210 R HN 0.876 nan 8.270 nan 0.000 0.497 211 N N -1.803 116.791 118.700 -0.177 0.000 2.143 211 N HA 0.128 4.869 4.740 0.001 0.000 0.222 211 N C 1.035 176.470 175.510 -0.125 0.000 1.264 211 N CA 0.696 53.673 53.050 -0.121 0.000 0.897 211 N CB 0.489 38.925 38.487 -0.085 0.000 1.092 211 N HN 0.299 nan 8.380 nan 0.000 0.516 212 G N 0.064 108.780 108.800 -0.140 0.000 2.189 212 G HA2 -0.276 3.685 3.960 0.001 0.000 0.267 212 G HA3 -0.276 3.685 3.960 0.001 0.000 0.267 212 G C -0.231 174.584 174.900 -0.142 0.000 0.975 212 G CA 0.524 45.547 45.100 -0.129 0.000 0.644 212 G HN 0.317 nan 8.290 nan 0.000 0.537 213 V N 0.801 120.630 119.914 -0.143 0.000 2.614 213 V HA 0.619 4.740 4.120 0.001 0.000 0.291 213 V C 0.671 176.708 176.094 -0.095 0.000 1.049 213 V CA 0.510 62.728 62.300 -0.137 0.000 1.038 213 V CB 1.406 33.160 31.823 -0.115 0.000 0.980 213 V HN 1.407 nan 8.190 nan 0.000 0.481 214 A N 5.793 128.579 122.820 -0.055 0.000 2.414 214 A HA 0.756 5.077 4.320 0.001 0.000 0.286 214 A C -0.683 176.913 177.584 0.019 0.000 1.073 214 A CA -0.725 51.297 52.037 -0.025 0.000 0.727 214 A CB 1.318 20.317 19.000 -0.002 0.000 1.215 214 A HN 0.820 nan 8.150 nan 0.000 0.430 215 Q N 2.197 121.995 119.800 -0.004 0.000 2.456 215 Q HA 0.703 5.044 4.340 0.001 0.000 0.283 215 Q C -2.963 173.016 176.000 -0.034 0.000 1.084 215 Q CA -2.412 53.398 55.803 0.011 0.000 0.801 215 Q CB 2.605 31.355 28.738 0.020 0.000 1.434 215 Q HN 0.420 nan 8.270 nan 0.000 0.419 216 P HA 0.134 nan 4.420 nan 0.000 0.285 216 P C -1.057 176.128 177.300 -0.191 0.000 1.259 216 P CA -0.563 62.476 63.100 -0.101 0.000 0.794 216 P CB 0.682 32.317 31.700 -0.108 0.000 0.940 217 L N 3.926 125.023 121.223 -0.209 0.000 2.261 217 L HA 0.410 4.750 4.340 0.001 0.000 0.289 217 L C 0.212 176.898 176.870 -0.306 0.000 1.059 217 L CA -0.427 54.200 54.840 -0.355 0.000 0.816 217 L CB 0.060 41.888 42.059 -0.387 0.000 1.191 217 L HN 0.273 nan 8.230 nan 0.000 0.431 218 R N 5.490 125.732 120.500 -0.430 0.000 2.198 218 R HA 0.563 4.904 4.340 0.001 0.000 0.339 218 R C -1.474 174.551 176.300 -0.457 0.000 1.020 218 R CA -0.362 55.467 56.100 -0.450 0.000 0.864 218 R CB 0.386 30.338 30.300 -0.580 0.000 1.105 218 R HN 0.779 nan 8.270 nan 0.000 0.463 219 L N 5.607 126.654 121.223 -0.294 0.000 2.294 219 L HA 0.424 4.764 4.340 0.001 0.000 0.283 219 L C -0.761 176.040 176.870 -0.114 0.000 1.015 219 L CA -0.769 53.995 54.840 -0.127 0.000 0.831 219 L CB 1.133 43.257 42.059 0.109 0.000 1.217 219 L HN 0.562 nan 8.230 nan 0.000 0.420 220 W N 2.964 124.354 121.300 0.149 0.000 2.287 220 W HA 0.396 5.057 4.660 0.001 0.000 0.313 220 W C 0.343 177.029 176.519 0.280 0.000 1.267 220 W CA -0.126 57.325 57.345 0.176 0.000 1.201 220 W CB 0.705 30.132 29.460 -0.055 0.000 1.196 220 W HN 0.427 nan 8.180 nan 0.000 0.536 221 Q N 2.494 122.629 119.800 0.559 0.000 2.331 221 Q HA 0.646 4.987 4.340 0.001 0.000 0.267 221 Q C -0.707 175.503 176.000 0.350 0.000 1.006 221 Q CA -0.714 55.263 55.803 0.290 0.000 0.818 221 Q CB 1.561 30.295 28.738 -0.007 0.000 1.276 221 Q HN 0.600 nan 8.270 nan 0.000 0.450 222 A N 2.755 125.599 122.820 0.040 0.000 2.328 222 A HA 0.647 4.967 4.320 0.001 0.000 0.284 222 A C -0.174 177.376 177.584 -0.057 0.000 1.160 222 A CA 0.040 51.935 52.037 -0.237 0.000 0.818 222 A CB 0.602 19.158 19.000 -0.739 0.000 1.087 222 A HN 0.792 nan 8.150 nan 0.000 0.504 223 T N -0.563 113.996 114.554 0.009 0.000 2.838 223 T HA 0.615 4.966 4.350 0.001 0.000 0.292 223 T C -0.849 173.878 174.700 0.045 0.000 1.113 223 T CA -0.653 61.473 62.100 0.043 0.000 1.008 223 T CB 1.519 70.420 68.868 0.054 0.000 1.259 223 T HN 0.725 nan 8.240 nan 0.000 0.520 224 H N -0.599 118.465 119.070 -0.010 0.000 2.572 224 H HA 0.654 5.210 4.556 0.001 0.000 0.359 224 H C 0.921 176.198 175.328 -0.085 0.000 1.134 224 H CA -0.100 55.913 56.048 -0.057 0.000 1.187 224 H CB 2.228 31.983 29.762 -0.012 0.000 1.597 224 H HN 0.873 nan 8.280 nan 0.000 0.524 225 A N 3.492 126.110 122.820 -0.336 0.000 2.015 225 A HA -0.095 4.226 4.320 0.001 0.000 0.219 225 A C 0.354 177.653 177.584 -0.474 0.000 1.163 225 A CA 1.030 52.851 52.037 -0.360 0.000 0.646 225 A CB -0.009 18.704 19.000 -0.479 0.000 0.806 225 A HN 0.657 nan 8.150 nan 0.000 0.448 226 H N -1.152 118.184 119.070 0.443 0.000 2.380 226 H HA 0.208 4.765 4.556 0.001 0.000 0.231 226 H C -2.176 173.276 175.328 0.207 0.000 1.415 226 H CA -1.528 54.696 56.048 0.293 0.000 1.433 226 H CB 0.582 30.471 29.762 0.212 0.000 1.544 226 H HN 0.349 nan 8.280 nan 0.000 0.503 227 P HA -0.081 nan 4.420 nan 0.000 0.229 227 P C 0.162 177.600 177.300 0.229 0.000 1.160 227 P CA 0.643 63.855 63.100 0.188 0.000 0.777 227 P CB 0.446 32.255 31.700 0.181 0.000 0.814 228 F N 0.863 120.859 119.950 0.077 0.000 2.529 228 F HA 0.481 5.008 4.527 0.001 0.000 0.320 228 F C -0.928 174.916 175.800 0.073 0.000 1.118 228 F CA -1.267 56.774 58.000 0.067 0.000 0.915 228 F CB 1.563 40.583 39.000 0.034 0.000 1.161 228 F HN -0.371 nan 8.300 nan 0.000 0.445 229 D N 6.232 126.337 120.400 -0.491 0.000 2.427 229 D HA 0.125 4.766 4.640 0.001 0.000 0.226 229 D C 0.454 176.383 176.300 -0.619 0.000 1.076 229 D CA -0.244 53.539 54.000 -0.363 0.000 0.849 229 D CB 1.586 42.271 40.800 -0.191 0.000 1.052 229 D HN 0.699 nan 8.370 nan 0.000 0.515 230 L N 3.979 124.997 121.223 -0.341 0.000 2.156 230 L HA -0.030 4.310 4.340 0.001 0.000 0.208 230 L C 1.869 178.729 176.870 -0.018 0.000 1.095 230 L CA 1.634 56.387 54.840 -0.145 0.000 0.770 230 L CB -0.485 41.636 42.059 0.103 0.000 0.914 230 L HN 0.367 nan 8.230 nan 0.000 0.439 231 T N -0.173 114.356 114.554 -0.042 0.000 2.652 231 T HA -0.225 4.126 4.350 0.001 0.000 0.267 231 T C 1.871 176.549 174.700 -0.036 0.000 1.039 231 T CA 1.971 64.059 62.100 -0.021 0.000 1.153 231 T CB -0.172 68.677 68.868 -0.031 0.000 0.863 231 T HN 0.349 nan 8.240 nan 0.000 0.428 232 K N 0.109 120.461 120.400 -0.080 0.000 2.026 232 K HA -0.054 4.267 4.320 0.001 0.000 0.208 232 K C 2.043 178.588 176.600 -0.091 0.000 1.048 232 K CA 1.268 57.496 56.287 -0.099 0.000 0.929 232 K CB -0.418 32.016 32.500 -0.110 0.000 0.713 232 K HN 0.231 nan 8.250 nan 0.000 0.439 233 F N 2.561 122.398 119.950 -0.189 0.000 2.095 233 F HA -0.231 4.297 4.527 0.001 0.000 0.298 233 F C 1.795 177.626 175.800 0.052 0.000 1.104 233 F CA 1.521 59.513 58.000 -0.013 0.000 1.232 233 F CB -0.086 38.955 39.000 0.067 0.000 0.987 233 F HN 0.044 nan 8.300 nan 0.000 0.475 234 N N 0.095 118.921 118.700 0.209 0.000 2.515 234 N HA -0.087 4.654 4.740 0.001 0.000 0.185 234 N C 0.612 176.123 175.510 0.002 0.000 1.109 234 N CA 0.780 53.925 53.050 0.158 0.000 0.903 234 N CB -0.346 38.243 38.487 0.169 0.000 0.969 234 N HN 0.330 nan 8.380 nan 0.000 0.450 235 D N -0.885 119.461 120.400 -0.089 0.000 2.328 235 D HA 0.186 4.827 4.640 0.001 0.000 0.221 235 D C 1.262 177.399 176.300 -0.270 0.000 1.072 235 D CA 0.223 54.140 54.000 -0.138 0.000 0.850 235 D CB 0.145 40.873 40.800 -0.119 0.000 0.922 235 D HN 0.271 nan 8.370 nan 0.000 0.516 236 G N 1.082 109.591 108.800 -0.486 0.000 2.175 236 G HA2 -0.231 3.730 3.960 0.001 0.000 0.244 236 G HA3 -0.231 3.730 3.960 0.001 0.000 0.244 236 G C -0.111 174.039 174.900 -1.250 0.000 0.982 236 G CA -0.237 44.294 45.100 -0.948 0.000 0.641 236 G HN 0.223 nan 8.290 nan 0.000 0.527 237 D N 0.953 120.896 120.400 -0.762 0.000 2.631 237 D HA 0.458 5.099 4.640 0.001 0.000 0.227 237 D C 1.200 177.283 176.300 -0.361 0.000 1.146 237 D CA -0.550 53.164 54.000 -0.477 0.000 1.009 237 D CB -0.346 40.303 40.800 -0.251 0.000 1.057 237 D HN 0.183 nan 8.370 nan 0.000 0.509 238 F N 0.135 119.994 119.950 -0.151 0.000 2.234 238 F HA -0.099 4.428 4.527 0.001 0.000 0.299 238 F C 2.025 177.880 175.800 0.091 0.000 1.087 238 F CA 0.253 58.197 58.000 -0.093 0.000 1.340 238 F CB -0.451 38.462 39.000 -0.145 0.000 1.031 238 F HN 0.218 nan 8.300 nan 0.000 0.500 239 L N 0.445 121.776 121.223 0.180 0.000 2.049 239 L HA -0.027 4.314 4.340 0.001 0.000 0.203 239 L C 2.442 179.374 176.870 0.104 0.000 1.074 239 L CA 1.605 56.533 54.840 0.146 0.000 0.749 239 L CB -0.591 41.524 42.059 0.093 0.000 0.907 239 L HN -0.081 nan 8.230 nan 0.000 0.439 240 R N -0.295 120.229 120.500 0.040 0.000 2.159 240 R HA -0.111 4.230 4.340 0.001 0.000 0.237 240 R C 2.168 178.473 176.300 0.009 0.000 1.131 240 R CA 1.055 57.161 56.100 0.010 0.000 0.982 240 R CB -0.672 29.610 30.300 -0.030 0.000 0.868 240 R HN 0.533 nan 8.270 nan 0.000 0.453 241 A N 1.375 124.207 122.820 0.021 0.000 2.024 241 A HA -0.163 4.158 4.320 0.001 0.000 0.220 241 A C 1.524 179.117 177.584 0.015 0.000 1.164 241 A CA 1.334 53.343 52.037 -0.048 0.000 0.643 241 A CB -0.100 18.894 19.000 -0.010 0.000 0.806 241 A HN 0.179 nan 8.150 nan 0.000 0.451 242 E N -0.739 119.553 120.200 0.154 0.000 2.479 242 E HA -0.044 4.306 4.350 0.001 0.000 0.193 242 E C 1.702 178.374 176.600 0.119 0.000 1.049 242 E CA 0.498 57.017 56.400 0.198 0.000 0.870 242 E CB 0.040 29.876 29.700 0.226 0.000 0.944 242 E HN 0.836 nan 8.360 nan 0.000 0.492 243 Q N 1.494 121.334 119.800 0.068 0.000 2.050 243 Q HA -0.235 4.105 4.340 0.001 0.000 0.202 243 Q C 2.162 178.189 176.000 0.044 0.000 0.980 243 Q CA 1.937 57.766 55.803 0.042 0.000 0.840 243 Q CB -0.015 28.730 28.738 0.012 0.000 0.898 243 Q HN 0.253 nan 8.270 nan 0.000 0.424 244 Q N -0.950 118.872 119.800 0.036 0.000 2.050 244 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 244 Q C 1.936 177.992 176.000 0.093 0.000 0.980 244 Q CA 1.832 57.653 55.803 0.031 0.000 0.840 244 Q CB -0.662 28.001 28.738 -0.124 0.000 0.898 244 Q HN 0.548 nan 8.270 nan 0.000 0.424 245 G N 0.842 109.700 108.800 0.097 0.000 2.459 245 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 245 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 245 G C 1.378 176.368 174.900 0.150 0.000 1.183 245 G CA 1.117 46.310 45.100 0.155 0.000 0.776 245 G HN 0.403 nan 8.290 nan 0.000 0.552 246 I N 0.967 121.608 120.570 0.117 0.000 2.286 246 I HA -0.162 4.009 4.170 0.001 0.000 0.248 246 I C 2.425 178.590 176.117 0.079 0.000 1.115 246 I CA 0.703 62.059 61.300 0.093 0.000 1.392 246 I CB -0.187 37.860 38.000 0.079 0.000 1.065 246 I HN 0.061 nan 8.210 nan 0.000 0.418 247 N N 0.958 119.698 118.700 0.068 0.000 2.205 247 N HA -0.149 4.592 4.740 0.001 0.000 0.186 247 N C 1.789 177.365 175.510 0.111 0.000 1.015 247 N CA 1.592 54.631 53.050 -0.018 0.000 0.862 247 N CB -0.260 38.067 38.487 -0.266 0.000 0.986 247 N HN 0.405 nan 8.380 nan 0.000 0.429 248 A N 1.055 124.066 122.820 0.318 0.000 1.861 248 A HA -0.016 4.305 4.320 0.001 0.000 0.212 248 A C 2.013 179.627 177.584 0.050 0.000 1.199 248 A CA 0.910 53.111 52.037 0.274 0.000 0.613 248 A CB -0.426 18.756 19.000 0.303 0.000 0.846 248 A HN 0.248 nan 8.150 nan 0.000 0.446 249 E N 0.405 120.642 120.200 0.062 0.000 2.265 249 E HA -0.217 4.134 4.350 0.001 0.000 0.196 249 E C 1.879 178.488 176.600 0.014 0.000 0.996 249 E CA 1.299 57.707 56.400 0.013 0.000 0.832 249 E CB -0.201 29.520 29.700 0.035 0.000 0.756 249 E HN 0.810 nan 8.360 nan 0.000 0.491 250 K N 1.145 121.567 120.400 0.036 0.000 2.281 250 K HA -0.159 4.161 4.320 0.001 0.000 0.203 250 K C 1.860 178.489 176.600 0.048 0.000 1.046 250 K CA 1.137 57.456 56.287 0.052 0.000 0.938 250 K CB -0.267 32.259 32.500 0.043 0.000 0.737 250 K HN 0.158 nan 8.250 nan 0.000 0.458 251 L N 1.669 122.881 121.223 -0.017 0.000 2.191 251 L HA -0.075 4.266 4.340 0.001 0.000 0.212 251 L C 1.532 178.439 176.870 0.062 0.000 1.103 251 L CA 1.553 56.380 54.840 -0.021 0.000 0.769 251 L CB -0.622 41.311 42.059 -0.210 0.000 0.908 251 L HN 0.470 nan 8.230 nan 0.000 0.438 252 T N -5.143 109.431 114.554 0.033 0.000 3.293 252 T HA 0.205 4.556 4.350 0.001 0.000 0.276 252 T C 1.172 175.976 174.700 0.174 0.000 1.003 252 T CA -0.579 61.578 62.100 0.095 0.000 0.916 252 T CB 0.424 69.288 68.868 -0.007 0.000 1.134 252 T HN -0.008 nan 8.240 nan 0.000 0.530 253 K N 0.851 121.382 120.400 0.218 0.000 2.099 253 K HA 0.275 4.596 4.320 0.001 0.000 0.203 253 K C 0.481 177.286 176.600 0.343 0.000 1.047 253 K CA 0.609 57.052 56.287 0.260 0.000 0.963 253 K CB 0.332 32.988 32.500 0.261 0.000 0.759 253 K HN 0.317 nan 8.250 nan 0.000 0.451 254 V N 1.948 122.038 119.914 0.294 0.000 2.760 254 V HA 0.209 4.330 4.120 0.001 0.000 0.309 254 V C -0.973 175.049 176.094 -0.121 0.000 1.077 254 V CA -1.184 61.195 62.300 0.131 0.000 0.910 254 V CB 2.164 34.065 31.823 0.130 0.000 1.008 254 V HN 0.063 nan 8.190 nan 0.000 0.424 255 L N 5.815 126.678 121.223 -0.600 0.000 2.331 255 L HA 0.549 4.890 4.340 0.001 0.000 0.278 255 L C -0.430 176.233 176.870 -0.345 0.000 1.106 255 L CA 0.303 54.543 54.840 -1.000 0.000 0.824 255 L CB -0.325 40.961 42.059 -1.288 0.000 1.142 255 L HN 0.693 nan 8.230 nan 0.000 0.443 256 Y N 3.882 124.094 120.300 -0.147 0.000 3.001 256 Y HA -0.179 4.372 4.550 0.001 0.000 0.199 256 Y C -1.961 173.943 175.900 0.007 0.000 1.320 256 Y CA -0.151 57.923 58.100 -0.043 0.000 0.974 256 Y CB -2.528 35.911 38.460 -0.036 0.000 1.291 256 Y HN 0.532 nan 8.280 nan 0.000 0.465 257 P HA -0.040 nan 4.420 nan 0.000 0.267 257 P C 0.618 177.984 177.300 0.111 0.000 1.200 257 P CA -0.048 63.125 63.100 0.120 0.000 0.772 257 P CB 0.737 32.502 31.700 0.108 0.000 0.855 258 N N 2.825 121.573 118.700 0.081 0.000 2.236 258 N HA -0.133 4.608 4.740 0.001 0.000 0.274 258 N C 0.327 175.867 175.510 0.051 0.000 1.339 258 N CA 0.553 53.633 53.050 0.049 0.000 0.845 258 N CB -0.114 38.390 38.487 0.028 0.000 1.091 258 N HN 0.385 nan 8.380 nan 0.000 0.489 259 D N 1.742 122.167 120.400 0.041 0.000 2.501 259 D HA 0.046 4.686 4.640 0.001 0.000 0.226 259 D C 0.489 176.812 176.300 0.038 0.000 1.198 259 D CA -0.146 53.884 54.000 0.050 0.000 0.830 259 D CB -0.856 39.986 40.800 0.070 0.000 1.014 259 D HN 0.476 nan 8.370 nan 0.000 0.496 260 N N 0.070 118.786 118.700 0.028 0.000 2.289 260 N HA -0.039 4.702 4.740 0.001 0.000 0.184 260 N C 0.732 176.291 175.510 0.082 0.000 1.016 260 N CA 0.714 53.789 53.050 0.040 0.000 0.872 260 N CB 0.242 38.753 38.487 0.040 0.000 0.973 260 N HN 0.247 nan 8.380 nan 0.000 0.433 261 A N 0.080 122.956 122.820 0.092 0.000 2.281 261 A HA 0.304 4.625 4.320 0.001 0.000 0.329 261 A C 0.537 178.215 177.584 0.157 0.000 1.122 261 A CA -0.610 51.505 52.037 0.131 0.000 0.850 261 A CB 0.514 19.584 19.000 0.117 0.000 1.207 261 A HN 0.181 nan 8.150 nan 0.000 0.495 262 F N 0.214 120.202 119.950 0.064 0.000 2.171 262 F HA -0.126 4.402 4.527 0.001 0.000 0.300 262 F C 1.851 177.701 175.800 0.084 0.000 1.090 262 F CA 2.489 60.534 58.000 0.075 0.000 1.293 262 F CB -0.010 39.027 39.000 0.061 0.000 1.013 262 F HN 0.810 nan 8.300 nan 0.000 0.486 263 E N -0.313 119.863 120.200 -0.040 0.000 2.150 263 E HA -0.091 4.260 4.350 0.001 0.000 0.193 263 E C 2.461 178.986 176.600 -0.125 0.000 0.985 263 E CA 0.815 57.133 56.400 -0.136 0.000 0.814 263 E CB -0.571 29.147 29.700 0.030 0.000 0.752 263 E HN 0.572 nan 8.360 nan 0.000 0.466 264 G N 1.254 110.031 108.800 -0.038 0.000 2.403 264 G HA2 -0.237 3.723 3.960 0.001 0.000 0.216 264 G HA3 -0.237 3.723 3.960 0.001 0.000 0.216 264 G C 1.377 176.293 174.900 0.027 0.000 1.154 264 G CA 0.422 45.529 45.100 0.012 0.000 0.784 264 G HN 0.104 nan 8.290 nan 0.000 0.538 265 K N 0.327 120.731 120.400 0.007 0.000 2.026 265 K HA -0.085 4.236 4.320 0.001 0.000 0.208 265 K C 2.408 179.057 176.600 0.081 0.000 1.048 265 K CA 1.407 57.772 56.287 0.129 0.000 0.929 265 K CB -0.143 32.445 32.500 0.146 0.000 0.713 265 K HN 0.250 nan 8.250 nan 0.000 0.439 266 K N 1.130 121.396 120.400 -0.223 0.000 2.057 266 K HA -0.162 4.159 4.320 0.001 0.000 0.207 266 K C 2.153 178.669 176.600 -0.139 0.000 1.049 266 K CA 0.900 57.026 56.287 -0.269 0.000 0.931 266 K CB -0.134 32.094 32.500 -0.453 0.000 0.714 266 K HN -0.011 nan 8.250 nan 0.000 0.440 267 L N 1.666 122.843 121.223 -0.076 0.000 2.042 267 L HA -0.178 4.163 4.340 0.001 0.000 0.210 267 L C 2.108 179.010 176.870 0.053 0.000 1.076 267 L CA 1.694 56.532 54.840 -0.003 0.000 0.749 267 L CB -0.425 41.649 42.059 0.025 0.000 0.893 267 L HN 0.139 nan 8.230 nan 0.000 0.432 268 R N -1.055 119.511 120.500 0.109 0.000 2.091 268 R HA -0.183 4.158 4.340 0.001 0.000 0.238 268 R C 2.190 178.555 176.300 0.108 0.000 1.136 268 R CA 1.660 57.879 56.100 0.198 0.000 0.959 268 R CB -0.767 29.747 30.300 0.356 0.000 0.856 268 R HN 0.337 nan 8.270 nan 0.000 0.437 269 L N 0.986 122.115 121.223 -0.156 0.000 2.017 269 L HA -0.146 4.195 4.340 0.001 0.000 0.208 269 L C 2.152 178.926 176.870 -0.159 0.000 1.073 269 L CA 1.719 56.267 54.840 -0.486 0.000 0.745 269 L CB -0.358 41.035 42.059 -1.110 0.000 0.894 269 L HN 0.166 nan 8.230 nan 0.000 0.432 270 M N -1.416 118.142 119.600 -0.070 0.000 2.149 270 M HA -0.277 4.204 4.480 0.001 0.000 0.261 270 M C 2.247 178.652 176.300 0.176 0.000 1.064 270 M CA 1.796 57.142 55.300 0.077 0.000 1.102 270 M CB -0.561 32.073 32.600 0.057 0.000 1.369 270 M HN 0.390 nan 8.290 nan 0.000 0.408 271 Q N 0.078 119.975 119.800 0.160 0.000 2.084 271 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 271 Q C 2.055 178.210 176.000 0.259 0.000 0.978 271 Q CA 1.428 57.373 55.803 0.237 0.000 0.844 271 Q CB -0.156 28.726 28.738 0.240 0.000 0.898 271 Q HN 0.635 nan 8.270 nan 0.000 0.426 272 Q N -0.682 119.238 119.800 0.200 0.000 2.123 272 Q HA -0.175 4.166 4.340 0.001 0.000 0.199 272 Q C 1.783 177.868 176.000 0.141 0.000 0.966 272 Q CA 1.186 57.102 55.803 0.188 0.000 0.845 272 Q CB -0.147 28.712 28.738 0.202 0.000 0.907 272 Q HN 0.383 nan 8.270 nan 0.000 0.439 273 Y N 0.549 120.852 120.300 0.005 0.000 2.163 273 Y HA -0.266 4.285 4.550 0.001 0.000 0.288 273 Y C 1.924 177.834 175.900 0.016 0.000 1.136 273 Y CA 1.274 59.347 58.100 -0.044 0.000 1.147 273 Y CB -0.446 37.948 38.460 -0.111 0.000 0.987 273 Y HN 0.115 nan 8.280 nan 0.000 0.509 274 F N 1.422 121.254 119.950 -0.198 0.000 2.095 274 F HA -0.285 4.242 4.527 0.001 0.000 0.298 274 F C 2.621 178.236 175.800 -0.308 0.000 1.104 274 F CA 2.493 60.326 58.000 -0.278 0.000 1.232 274 F CB -0.970 37.995 39.000 -0.058 0.000 0.987 274 F HN 0.273 nan 8.300 nan 0.000 0.475 275 Q N -0.374 119.284 119.800 -0.236 0.000 2.061 275 Q HA -0.230 4.110 4.340 0.001 0.000 0.204 275 Q C 2.351 178.124 176.000 -0.379 0.000 0.984 275 Q CA 2.512 58.156 55.803 -0.266 0.000 0.846 275 Q CB -0.582 28.218 28.738 0.104 0.000 0.902 275 Q HN 0.566 nan 8.270 nan 0.000 0.421 276 C N 0.084 119.226 119.300 -0.263 0.000 2.466 276 C HA 0.038 4.498 4.460 0.001 0.000 0.278 276 C C 2.872 177.642 174.990 -0.366 0.000 1.288 276 C CA 0.604 59.488 59.018 -0.224 0.000 1.722 276 C CB -1.266 26.431 27.740 -0.071 0.000 2.017 276 C HN 0.719 nan 8.230 nan 0.000 0.488 277 A N -0.521 121.960 122.820 -0.565 0.000 1.908 277 A HA -0.231 4.090 4.320 0.001 0.000 0.218 277 A C 2.145 179.361 177.584 -0.613 0.000 1.181 277 A CA 2.288 53.995 52.037 -0.549 0.000 0.627 277 A CB -1.146 17.391 19.000 -0.773 0.000 0.818 277 A HN 0.669 nan 8.150 nan 0.000 0.445 278 C N -0.814 117.890 119.300 -0.993 0.000 2.429 278 C HA -0.052 4.408 4.460 0.001 0.000 0.277 278 C C 3.292 177.639 174.990 -1.072 0.000 1.262 278 C CA 1.302 59.462 59.018 -1.430 0.000 1.733 278 C CB -1.256 24.834 27.740 -2.750 0.000 2.010 278 C HN 0.622 nan 8.230 nan 0.000 0.483 279 S N 0.668 115.871 115.700 -0.827 0.000 2.355 279 S HA -0.128 4.343 4.470 0.001 0.000 0.222 279 S C 1.941 176.258 174.600 -0.472 0.000 1.031 279 S CA 1.430 59.255 58.200 -0.626 0.000 0.993 279 S CB -0.394 62.435 63.200 -0.618 0.000 0.859 279 S HN 0.470 nan 8.310 nan 0.000 0.453 280 V N 2.225 121.955 119.914 -0.307 0.000 2.332 280 V HA -0.234 3.886 4.120 0.001 0.000 0.248 280 V C 2.668 178.685 176.094 -0.127 0.000 1.055 280 V CA 1.752 63.961 62.300 -0.152 0.000 1.038 280 V CB -1.247 30.542 31.823 -0.057 0.000 0.651 280 V HN 0.542 nan 8.190 nan 0.000 0.450 281 A N -0.052 122.662 122.820 -0.176 0.000 1.908 281 A HA -0.329 3.992 4.320 0.001 0.000 0.218 281 A C 2.050 179.605 177.584 -0.047 0.000 1.181 281 A CA 2.401 54.369 52.037 -0.115 0.000 0.627 281 A CB -0.703 18.193 19.000 -0.173 0.000 0.818 281 A HN 0.623 nan 8.150 nan 0.000 0.445 282 D N -0.489 119.897 120.400 -0.023 0.000 2.123 282 D HA -0.075 4.566 4.640 0.001 0.000 0.200 282 D C 1.725 178.101 176.300 0.127 0.000 0.976 282 D CA 1.201 55.294 54.000 0.155 0.000 0.831 282 D CB -0.205 40.867 40.800 0.454 0.000 0.974 282 D HN 0.469 nan 8.370 nan 0.000 0.469 283 I N 0.193 120.802 120.570 0.066 0.000 2.163 283 I HA -0.263 3.907 4.170 0.001 0.000 0.243 283 I C 2.346 178.491 176.117 0.046 0.000 1.085 283 I CA 0.804 62.142 61.300 0.064 0.000 1.347 283 I CB -0.236 37.764 38.000 -0.000 0.000 1.044 283 I HN 0.142 nan 8.210 nan 0.000 0.408 284 L N 0.093 121.328 121.223 0.020 0.000 2.046 284 L HA -0.206 4.135 4.340 0.001 0.000 0.208 284 L C 2.789 179.722 176.870 0.105 0.000 1.077 284 L CA 1.326 56.195 54.840 0.048 0.000 0.747 284 L CB -0.594 41.480 42.059 0.024 0.000 0.896 284 L HN 0.252 nan 8.230 nan 0.000 0.432 285 R N 0.512 121.057 120.500 0.074 0.000 2.081 285 R HA -0.203 4.137 4.340 0.001 0.000 0.235 285 R C 2.489 178.845 176.300 0.093 0.000 1.131 285 R CA 1.531 57.679 56.100 0.081 0.000 0.960 285 R CB -0.166 30.167 30.300 0.055 0.000 0.856 285 R HN 0.201 nan 8.270 nan 0.000 0.436 286 R N -0.779 119.764 120.500 0.071 0.000 2.081 286 R HA -0.212 4.128 4.340 0.001 0.000 0.235 286 R C 2.240 178.543 176.300 0.005 0.000 1.131 286 R CA 2.094 58.204 56.100 0.018 0.000 0.960 286 R CB -0.431 29.863 30.300 -0.010 0.000 0.856 286 R HN 0.377 nan 8.270 nan 0.000 0.436 287 H N -0.371 118.661 119.070 -0.062 0.000 2.353 287 H HA -0.169 4.388 4.556 0.001 0.000 0.300 287 H C 2.121 177.389 175.328 -0.099 0.000 1.090 287 H CA 2.264 58.245 56.048 -0.111 0.000 1.327 287 H CB -0.276 29.435 29.762 -0.086 0.000 1.383 287 H HN 0.330 nan 8.280 nan 0.000 0.508 288 H N -0.071 118.950 119.070 -0.082 0.000 2.357 288 H HA -0.092 4.465 4.556 0.001 0.000 0.301 288 H C 2.080 177.322 175.328 -0.143 0.000 1.082 288 H CA 1.257 57.234 56.048 -0.120 0.000 1.342 288 H CB -0.093 29.651 29.762 -0.031 0.000 1.389 288 H HN 0.329 nan 8.280 nan 0.000 0.511 289 L N 1.006 122.178 121.223 -0.084 0.000 2.201 289 L HA -0.054 4.287 4.340 0.001 0.000 0.212 289 L C 2.494 179.236 176.870 -0.214 0.000 1.105 289 L CA 1.318 56.078 54.840 -0.133 0.000 0.775 289 L CB -1.231 40.801 42.059 -0.044 0.000 0.913 289 L HN 0.310 nan 8.230 nan 0.000 0.440 290 A N -1.076 121.590 122.820 -0.257 0.000 2.206 290 A HA 0.230 4.550 4.320 0.001 0.000 0.211 290 A C 1.709 179.093 177.584 -0.333 0.000 1.158 290 A CA 0.887 52.750 52.037 -0.290 0.000 0.761 290 A CB -0.417 18.379 19.000 -0.340 0.000 0.801 290 A HN 0.553 nan 8.150 nan 0.000 0.473 291 G N -0.920 107.656 108.800 -0.374 0.000 2.143 291 G HA2 -0.263 3.698 3.960 0.001 0.000 0.249 291 G HA3 -0.263 3.698 3.960 0.001 0.000 0.249 291 G C 0.291 174.957 174.900 -0.390 0.000 0.981 291 G CA 0.348 45.236 45.100 -0.353 0.000 0.665 291 G HN 0.670 nan 8.290 nan 0.000 0.528 292 R N 0.029 120.190 120.500 -0.566 0.000 2.543 292 R HA 0.603 4.944 4.340 0.001 0.000 0.268 292 R C 0.234 176.221 176.300 -0.522 0.000 1.067 292 R CA -0.529 55.159 56.100 -0.687 0.000 1.142 292 R CB 0.679 30.216 30.300 -1.271 0.000 1.110 292 R HN 0.017 nan 8.270 nan 0.000 0.549 293 K N 1.656 121.855 120.400 -0.334 0.000 2.110 293 K HA 0.112 4.433 4.320 0.001 0.000 0.263 293 K C 0.843 177.394 176.600 -0.082 0.000 0.975 293 K CA -0.599 55.568 56.287 -0.201 0.000 0.895 293 K CB 1.413 33.765 32.500 -0.247 0.000 1.060 293 K HN 0.283 nan 8.250 nan 0.000 0.448 294 L N 3.123 124.325 121.223 -0.034 0.000 2.079 294 L HA -0.210 4.131 4.340 0.001 0.000 0.210 294 L C 2.474 179.304 176.870 -0.068 0.000 1.081 294 L CA 1.946 56.764 54.840 -0.035 0.000 0.752 294 L CB -0.852 41.128 42.059 -0.131 0.000 0.896 294 L HN 0.759 nan 8.230 nan 0.000 0.433 295 H N -0.452 118.636 119.070 0.030 0.000 2.521 295 H HA -0.096 4.460 4.556 0.001 0.000 0.286 295 H C 1.107 176.456 175.328 0.035 0.000 1.034 295 H CA 1.226 57.283 56.048 0.016 0.000 1.278 295 H CB -0.300 29.475 29.762 0.022 0.000 1.386 295 H HN 0.676 nan 8.280 nan 0.000 0.567 296 E N 1.225 121.211 120.200 -0.356 0.000 2.465 296 E HA 0.087 4.438 4.350 0.001 0.000 0.195 296 E C 1.847 178.495 176.600 0.080 0.000 1.028 296 E CA -0.326 56.036 56.400 -0.064 0.000 0.899 296 E CB 0.041 29.720 29.700 -0.035 0.000 1.032 296 E HN 0.289 nan 8.360 nan 0.000 0.468 297 L N 1.220 122.367 121.223 -0.125 0.000 1.997 297 L HA -0.262 4.079 4.340 0.001 0.000 0.216 297 L C 2.366 179.106 176.870 -0.217 0.000 1.074 297 L CA 2.291 56.864 54.840 -0.446 0.000 0.763 297 L CB -0.567 41.220 42.059 -0.453 0.000 0.890 297 L HN 0.393 nan 8.230 nan 0.000 0.434 298 A N -0.991 121.728 122.820 -0.170 0.000 2.121 298 A HA -0.190 4.131 4.320 0.001 0.000 0.218 298 A C 1.656 179.146 177.584 -0.156 0.000 1.154 298 A CA 1.478 53.411 52.037 -0.173 0.000 0.679 298 A CB -0.427 18.458 19.000 -0.193 0.000 0.795 298 A HN 0.524 nan 8.150 nan 0.000 0.458 299 D N -1.793 118.524 120.400 -0.137 0.000 2.269 299 D HA -0.056 4.584 4.640 0.001 0.000 0.208 299 D C 0.761 176.821 176.300 -0.399 0.000 0.963 299 D CA 1.179 55.008 54.000 -0.284 0.000 0.864 299 D CB -0.075 40.507 40.800 -0.364 0.000 0.936 299 D HN 0.668 nan 8.370 nan 0.000 0.505 300 Y N -0.161 120.130 120.300 -0.014 0.000 2.430 300 Y HA 0.230 4.781 4.550 0.001 0.000 0.254 300 Y C 0.438 176.358 175.900 0.033 0.000 1.088 300 Y CA -0.061 58.063 58.100 0.039 0.000 1.267 300 Y CB 1.110 39.651 38.460 0.136 0.000 1.204 300 Y HN -0.289 nan 8.280 nan 0.000 0.515 301 E N 0.399 120.655 120.200 0.095 0.000 2.308 301 E HA 0.495 4.846 4.350 0.001 0.000 0.275 301 E C -1.498 175.082 176.600 -0.033 0.000 0.890 301 E CA -0.602 55.825 56.400 0.045 0.000 0.754 301 E CB 3.164 32.846 29.700 -0.031 0.000 1.207 301 E HN -0.149 nan 8.360 nan 0.000 0.426 302 V N 3.446 123.349 119.914 -0.018 0.000 2.789 302 V HA 0.587 4.708 4.120 0.001 0.000 0.311 302 V C -1.255 174.822 176.094 -0.027 0.000 1.073 302 V CA -0.665 61.638 62.300 0.005 0.000 0.921 302 V CB 1.691 33.587 31.823 0.122 0.000 1.009 302 V HN 0.613 nan 8.190 nan 0.000 0.426 303 I N 5.169 125.736 120.570 -0.004 0.000 2.411 303 I HA 0.429 4.600 4.170 0.001 0.000 0.284 303 I C -0.663 175.556 176.117 0.169 0.000 1.012 303 I CA -0.569 60.756 61.300 0.041 0.000 1.119 303 I CB 1.804 39.764 38.000 -0.067 0.000 1.261 303 I HN 0.597 nan 8.210 nan 0.000 0.448 304 Q N 6.751 126.631 119.800 0.134 0.000 2.322 304 Q HA 0.445 4.786 4.340 0.001 0.000 0.256 304 Q C -1.194 174.840 176.000 0.056 0.000 0.960 304 Q CA -0.106 55.788 55.803 0.151 0.000 0.934 304 Q CB 0.961 29.821 28.738 0.204 0.000 1.200 304 Q HN 0.570 nan 8.270 nan 0.000 0.435 305 L N 4.348 125.661 121.223 0.150 0.000 2.261 305 L HA 0.419 4.760 4.340 0.001 0.000 0.289 305 L C -0.175 176.806 176.870 0.185 0.000 1.059 305 L CA -0.488 54.453 54.840 0.170 0.000 0.816 305 L CB 0.572 42.755 42.059 0.208 0.000 1.191 305 L HN 0.527 nan 8.230 nan 0.000 0.431 306 N N 4.538 123.312 118.700 0.124 0.000 2.457 306 N HA 0.188 4.929 4.740 0.001 0.000 0.250 306 N C -0.436 175.208 175.510 0.224 0.000 0.982 306 N CA -0.265 52.903 53.050 0.198 0.000 0.941 306 N CB 1.211 39.723 38.487 0.042 0.000 1.120 306 N HN 0.600 nan 8.380 nan 0.000 0.505 307 D N -0.282 120.302 120.400 0.307 0.000 4.121 307 D HA -0.195 4.446 4.640 0.001 0.000 0.291 307 D C 1.028 177.485 176.300 0.263 0.000 2.247 307 D CA 1.467 55.612 54.000 0.241 0.000 1.125 307 D CB -0.237 40.522 40.800 -0.069 0.000 1.032 307 D HN 0.565 nan 8.370 nan 0.000 1.224 308 T N -3.523 111.078 114.554 0.079 0.000 3.129 308 T HA 0.056 4.407 4.350 0.001 0.000 0.251 308 T C 1.464 176.258 174.700 0.157 0.000 1.117 308 T CA 1.380 63.541 62.100 0.102 0.000 1.034 308 T CB -0.375 68.542 68.868 0.083 0.000 0.968 308 T HN 0.470 nan 8.240 nan 0.000 0.526 309 H N 2.713 121.933 119.070 0.250 0.000 2.353 309 H HA -0.009 4.548 4.556 0.001 0.000 0.298 309 H C -0.794 174.665 175.328 0.218 0.000 1.103 309 H CA 1.352 57.560 56.048 0.267 0.000 1.293 309 H CB -0.843 29.089 29.762 0.283 0.000 1.372 309 H HN 0.434 nan 8.280 nan 0.000 0.501 310 P HA 0.116 nan 4.420 nan 0.000 0.259 310 P C 0.446 177.791 177.300 0.074 0.000 1.530 310 P CA 0.377 63.583 63.100 0.178 0.000 1.022 310 P CB 0.450 32.257 31.700 0.179 0.000 1.514 311 T N 0.503 115.098 114.554 0.068 0.000 2.699 311 T HA -0.174 4.176 4.350 0.001 0.000 0.268 311 T C 1.567 176.218 174.700 -0.081 0.000 1.036 311 T CA 1.200 63.274 62.100 -0.043 0.000 1.147 311 T CB -0.689 68.186 68.868 0.012 0.000 0.862 311 T HN 0.075 nan 8.240 nan 0.000 0.446 312 I N 1.462 122.034 120.570 0.003 0.000 2.700 312 I HA -0.073 4.097 4.170 0.001 0.000 0.261 312 I C 2.372 178.494 176.117 0.008 0.000 1.219 312 I CA 0.395 61.699 61.300 0.006 0.000 1.463 312 I CB -0.547 37.459 38.000 0.009 0.000 1.092 312 I HN 0.191 nan 8.210 nan 0.000 0.452 313 A N 0.433 123.229 122.820 -0.040 0.000 1.986 313 A HA -0.237 4.083 4.320 0.001 0.000 0.220 313 A C 2.283 179.751 177.584 -0.192 0.000 1.171 313 A CA 2.163 54.175 52.037 -0.042 0.000 0.640 313 A CB -0.925 18.092 19.000 0.029 0.000 0.811 313 A HN 0.518 nan 8.150 nan 0.000 0.451 314 I N 0.245 120.508 120.570 -0.512 0.000 2.090 314 I HA -0.149 4.021 4.170 0.001 0.000 0.236 314 I C -0.340 175.706 176.117 -0.120 0.000 1.064 314 I CA 1.571 62.509 61.300 -0.604 0.000 1.324 314 I CB -1.100 36.528 38.000 -0.619 0.000 1.044 314 I HN 0.238 nan 8.210 nan 0.000 0.399 315 P HA -0.190 nan 4.420 nan 0.000 0.220 315 P C 1.264 178.657 177.300 0.155 0.000 1.148 315 P CA 1.526 64.695 63.100 0.114 0.000 0.803 315 P CB 0.003 31.805 31.700 0.171 0.000 0.782 316 E N 0.328 120.679 120.200 0.251 0.000 2.077 316 E HA -0.168 4.183 4.350 0.001 0.000 0.193 316 E C 1.909 178.616 176.600 0.178 0.000 0.989 316 E CA 0.813 57.399 56.400 0.310 0.000 0.800 316 E CB -1.209 28.686 29.700 0.325 0.000 0.746 316 E HN 0.033 nan 8.360 nan 0.000 0.452 317 L N 0.204 121.527 121.223 0.167 0.000 2.056 317 L HA -0.019 4.321 4.340 0.001 0.000 0.207 317 L C 2.165 179.086 176.870 0.084 0.000 1.078 317 L CA 1.556 56.484 54.840 0.147 0.000 0.749 317 L CB -0.668 41.536 42.059 0.243 0.000 0.901 317 L HN 0.290 nan 8.230 nan 0.000 0.433 318 L N -0.558 120.698 121.223 0.054 0.000 2.013 318 L HA -0.269 4.071 4.340 0.001 0.000 0.212 318 L C 2.823 179.703 176.870 0.016 0.000 1.073 318 L CA 1.822 56.652 54.840 -0.016 0.000 0.753 318 L CB -0.618 41.409 42.059 -0.054 0.000 0.890 318 L HN 0.337 nan 8.230 nan 0.000 0.432 319 R N -0.037 120.474 120.500 0.018 0.000 2.083 319 R HA -0.164 4.177 4.340 0.001 0.000 0.237 319 R C 2.207 178.547 176.300 0.066 0.000 1.137 319 R CA 1.788 57.888 56.100 0.000 0.000 0.951 319 R CB -0.246 29.980 30.300 -0.123 0.000 0.851 319 R HN 0.165 nan 8.270 nan 0.000 0.434 320 V N 1.440 121.412 119.914 0.098 0.000 2.343 320 V HA -0.252 3.869 4.120 0.001 0.000 0.247 320 V C 2.405 178.615 176.094 0.194 0.000 1.051 320 V CA 1.709 64.090 62.300 0.135 0.000 1.036 320 V CB -0.366 31.544 31.823 0.145 0.000 0.654 320 V HN 0.346 nan 8.190 nan 0.000 0.451 321 L N -0.932 120.386 121.223 0.158 0.000 2.027 321 L HA -0.146 4.195 4.340 0.001 0.000 0.206 321 L C 2.334 179.297 176.870 0.154 0.000 1.074 321 L CA 1.643 56.581 54.840 0.164 0.000 0.745 321 L CB -0.439 41.648 42.059 0.046 0.000 0.898 321 L HN 0.264 nan 8.230 nan 0.000 0.433 322 I N -0.227 120.406 120.570 0.105 0.000 2.193 322 I HA -0.250 3.921 4.170 0.001 0.000 0.240 322 I C 1.966 178.147 176.117 0.106 0.000 1.084 322 I CA 1.321 62.689 61.300 0.113 0.000 1.365 322 I CB -0.237 37.839 38.000 0.127 0.000 1.064 322 I HN 0.214 nan 8.210 nan 0.000 0.410 323 D N 0.233 120.687 120.400 0.091 0.000 2.213 323 D HA -0.087 4.554 4.640 0.001 0.000 0.205 323 D C 1.960 178.280 176.300 0.034 0.000 0.961 323 D CA 1.008 55.053 54.000 0.074 0.000 0.853 323 D CB 0.035 40.887 40.800 0.087 0.000 0.967 323 D HN 0.391 nan 8.370 nan 0.000 0.496 324 E N -0.862 119.335 120.200 -0.004 0.000 2.389 324 E HA 0.051 4.402 4.350 0.001 0.000 0.199 324 E C 0.892 177.306 176.600 -0.310 0.000 0.978 324 E CA 0.321 56.626 56.400 -0.159 0.000 0.912 324 E CB 0.451 30.026 29.700 -0.208 0.000 0.907 324 E HN 0.358 nan 8.360 nan 0.000 0.494 325 H N 0.243 119.337 119.070 0.039 0.000 2.784 325 H HA 0.208 4.765 4.556 0.001 0.000 0.273 325 H C -0.035 175.322 175.328 0.048 0.000 1.112 325 H CA 0.123 56.194 56.048 0.040 0.000 1.162 325 H CB 0.729 30.514 29.762 0.039 0.000 1.586 325 H HN 0.118 nan 8.280 nan 0.000 0.548 326 Q N 0.248 120.122 119.800 0.123 0.000 2.480 326 Q HA -0.178 4.162 4.340 0.001 0.000 0.265 326 Q C -0.128 175.940 176.000 0.113 0.000 1.072 326 Q CA 0.474 56.338 55.803 0.102 0.000 1.018 326 Q CB -1.352 27.433 28.738 0.077 0.000 1.433 326 Q HN 0.479 nan 8.270 nan 0.000 0.513 327 M N 0.774 120.450 119.600 0.128 0.000 2.241 327 M HA 0.149 4.629 4.480 0.001 0.000 0.335 327 M C 1.068 177.441 176.300 0.121 0.000 1.122 327 M CA 0.257 55.624 55.300 0.112 0.000 1.164 327 M CB 0.830 33.486 32.600 0.094 0.000 1.459 327 M HN 0.241 nan 8.290 nan 0.000 0.461 328 S N 1.966 117.740 115.700 0.124 0.000 2.593 328 S HA 0.013 4.484 4.470 0.001 0.000 0.269 328 S C 0.970 175.691 174.600 0.202 0.000 1.334 328 S CA -0.783 57.517 58.200 0.166 0.000 1.015 328 S CB 0.678 63.968 63.200 0.151 0.000 0.912 328 S HN 0.950 nan 8.310 nan 0.000 0.541 329 W N 2.007 123.364 121.300 0.094 0.000 2.290 329 W HA -0.256 4.405 4.660 0.001 0.000 0.323 329 W C 0.971 177.590 176.519 0.165 0.000 1.260 329 W CA 2.480 59.895 57.345 0.117 0.000 1.266 329 W CB -0.755 28.745 29.460 0.067 0.000 1.149 329 W HN 0.778 nan 8.180 nan 0.000 0.482 330 D N 0.119 120.717 120.400 0.330 0.000 2.144 330 D HA -0.168 4.473 4.640 0.001 0.000 0.199 330 D C 1.578 177.974 176.300 0.160 0.000 0.984 330 D CA 1.726 55.882 54.000 0.260 0.000 0.834 330 D CB -0.700 40.239 40.800 0.233 0.000 0.955 330 D HN 0.173 nan 8.370 nan 0.000 0.465 331 D N 0.241 120.711 120.400 0.116 0.000 2.149 331 D HA -0.028 4.613 4.640 0.001 0.000 0.201 331 D C 1.992 178.314 176.300 0.037 0.000 0.972 331 D CA 0.972 55.019 54.000 0.079 0.000 0.835 331 D CB -0.207 40.639 40.800 0.075 0.000 0.966 331 D HN 0.129 nan 8.370 nan 0.000 0.476 332 A N 0.727 123.543 122.820 -0.006 0.000 1.873 332 A HA -0.147 4.174 4.320 0.001 0.000 0.215 332 A C 2.114 179.631 177.584 -0.110 0.000 1.186 332 A CA 0.851 52.845 52.037 -0.073 0.000 0.616 332 A CB -1.131 17.796 19.000 -0.122 0.000 0.823 332 A HN 0.395 nan 8.150 nan 0.000 0.442 333 W N 0.904 121.985 121.300 -0.366 0.000 2.374 333 W HA -0.146 4.515 4.660 0.001 0.000 0.288 333 W C 2.213 178.666 176.519 -0.110 0.000 1.218 333 W CA 1.704 58.868 57.345 -0.300 0.000 1.245 333 W CB -0.200 29.035 29.460 -0.376 0.000 1.126 333 W HN 0.435 nan 8.180 nan 0.000 0.545 334 A N 0.599 123.463 122.820 0.073 0.000 1.972 334 A HA -0.186 4.135 4.320 0.001 0.000 0.219 334 A C 1.993 179.529 177.584 -0.079 0.000 1.169 334 A CA 1.841 53.896 52.037 0.029 0.000 0.635 334 A CB -0.823 18.220 19.000 0.071 0.000 0.810 334 A HN 0.340 nan 8.150 nan 0.000 0.446 335 I N -0.320 120.188 120.570 -0.104 0.000 2.296 335 I HA -0.166 4.005 4.170 0.001 0.000 0.242 335 I C 2.877 178.867 176.117 -0.211 0.000 1.087 335 I CA 1.655 62.873 61.300 -0.138 0.000 1.393 335 I CB -0.554 37.378 38.000 -0.114 0.000 1.093 335 I HN 0.489 nan 8.210 nan 0.000 0.421 336 T N -1.374 113.029 114.554 -0.252 0.000 2.788 336 T HA -0.159 4.192 4.350 0.001 0.000 0.268 336 T C 1.936 176.493 174.700 -0.238 0.000 1.044 336 T CA 1.432 63.407 62.100 -0.208 0.000 1.139 336 T CB -0.778 68.001 68.868 -0.148 0.000 0.867 336 T HN 0.412 nan 8.240 nan 0.000 0.454 337 S N 0.972 116.351 115.700 -0.536 0.000 2.515 337 S HA 0.095 4.565 4.470 0.001 0.000 0.231 337 S C 1.675 176.208 174.600 -0.113 0.000 0.987 337 S CA 0.092 57.998 58.200 -0.491 0.000 0.936 337 S CB -0.237 62.520 63.200 -0.737 0.000 0.766 337 S HN 0.292 nan 8.310 nan 0.000 0.528 338 K N 0.715 121.043 120.400 -0.118 0.000 2.358 338 K HA 0.312 4.632 4.320 0.001 0.000 0.197 338 K C 0.944 177.450 176.600 -0.156 0.000 1.025 338 K CA 0.354 56.556 56.287 -0.142 0.000 1.104 338 K CB 0.154 32.533 32.500 -0.202 0.000 0.855 338 K HN 0.410 nan 8.250 nan 0.000 0.531 339 T N -0.267 114.257 114.554 -0.050 0.000 3.038 339 T HA 0.243 4.593 4.350 0.001 0.000 0.244 339 T C 0.060 174.735 174.700 -0.041 0.000 1.016 339 T CA 0.149 62.142 62.100 -0.179 0.000 1.098 339 T CB 0.125 68.686 68.868 -0.512 0.000 0.954 339 T HN -0.092 nan 8.240 nan 0.000 0.469 340 F N 1.861 121.902 119.950 0.153 0.000 2.404 340 F HA 0.708 5.236 4.527 0.001 0.000 0.339 340 F C 0.398 176.086 175.800 -0.187 0.000 1.105 340 F CA -1.310 56.706 58.000 0.028 0.000 1.087 340 F CB 0.885 39.834 39.000 -0.084 0.000 1.143 340 F HN 0.016 nan 8.300 nan 0.000 0.491 341 A N 3.075 125.878 122.820 -0.029 0.000 2.401 341 A HA 0.702 5.023 4.320 0.001 0.000 0.310 341 A C -2.181 175.427 177.584 0.039 0.000 1.075 341 A CA -0.643 51.211 52.037 -0.306 0.000 0.746 341 A CB 1.152 19.934 19.000 -0.363 0.000 1.277 341 A HN 0.672 nan 8.150 nan 0.000 0.425 342 Y N 0.871 121.088 120.300 -0.139 0.000 2.376 342 Y HA 0.641 5.192 4.550 0.001 0.000 0.340 342 Y C -0.490 175.422 175.900 0.020 0.000 0.965 342 Y CA -0.481 57.592 58.100 -0.046 0.000 1.078 342 Y CB 2.012 40.409 38.460 -0.105 0.000 1.193 342 Y HN 0.537 nan 8.280 nan 0.000 0.452 343 T N 7.037 121.338 114.554 -0.421 0.000 2.770 343 T HA 0.207 4.557 4.350 0.001 0.000 0.283 343 T C -0.664 173.567 174.700 -0.782 0.000 0.988 343 T CA -0.797 61.022 62.100 -0.469 0.000 0.957 343 T CB 0.165 68.927 68.868 -0.177 0.000 0.930 343 T HN 0.676 nan 8.240 nan 0.000 0.443 344 N N 2.372 120.657 118.700 -0.692 0.000 2.422 344 N HA 0.071 4.812 4.740 0.001 0.000 0.264 344 N C 0.157 175.629 175.510 -0.063 0.000 1.063 344 N CA -0.203 52.687 53.050 -0.267 0.000 0.959 344 N CB 0.571 39.081 38.487 0.038 0.000 1.087 344 N HN 0.672 nan 8.380 nan 0.000 0.483 345 H N 1.687 120.782 119.070 0.043 0.000 2.755 345 H HA 0.146 4.703 4.556 0.001 0.000 0.273 345 H C -0.199 175.049 175.328 -0.133 0.000 1.055 345 H CA 0.082 56.112 56.048 -0.029 0.000 1.191 345 H CB 1.045 30.805 29.762 -0.005 0.000 1.536 345 H HN 0.527 nan 8.280 nan 0.000 0.529 346 T N 0.219 114.801 114.554 0.048 0.000 3.343 346 T HA 0.126 4.477 4.350 0.001 0.000 0.383 346 T C 0.325 175.055 174.700 0.050 0.000 1.615 346 T CA -0.605 61.471 62.100 -0.039 0.000 1.153 346 T CB 0.502 69.342 68.868 -0.046 0.000 1.434 346 T HN 0.076 nan 8.240 nan 0.000 0.476 347 L N 3.004 124.233 121.223 0.010 0.000 2.552 347 L HA 0.213 4.554 4.340 0.001 0.000 0.227 347 L C 1.317 178.149 176.870 -0.063 0.000 1.146 347 L CA 0.241 55.068 54.840 -0.022 0.000 0.858 347 L CB -0.219 41.814 42.059 -0.043 0.000 0.969 347 L HN 0.515 nan 8.230 nan 0.000 0.451 348 M N 1.419 120.958 119.600 -0.101 0.000 2.251 348 M HA 0.024 4.504 4.480 0.001 0.000 0.343 348 M C -0.980 175.317 176.300 -0.004 0.000 1.245 348 M CA -1.713 53.554 55.300 -0.054 0.000 1.061 348 M CB 0.128 32.707 32.600 -0.034 0.000 1.723 348 M HN -0.178 nan 8.290 nan 0.000 0.449 349 P HA -0.188 nan 4.420 nan 0.000 0.220 349 P C 0.845 178.129 177.300 -0.026 0.000 1.148 349 P CA 1.369 64.464 63.100 -0.008 0.000 0.803 349 P CB -0.194 31.501 31.700 -0.009 0.000 0.782 350 E N 0.912 121.100 120.200 -0.019 0.000 2.267 350 E HA -0.153 4.198 4.350 0.001 0.000 0.197 350 E C 1.624 178.208 176.600 -0.027 0.000 0.998 350 E CA 1.608 57.982 56.400 -0.043 0.000 0.830 350 E CB -1.015 28.657 29.700 -0.047 0.000 0.751 350 E HN 0.247 nan 8.360 nan 0.000 0.491 351 A N 0.843 123.657 122.820 -0.009 0.000 2.308 351 A HA 0.292 4.613 4.320 0.001 0.000 0.217 351 A C 1.180 178.768 177.584 0.007 0.000 1.216 351 A CA -0.307 51.717 52.037 -0.021 0.000 0.864 351 A CB 0.078 19.079 19.000 0.002 0.000 0.902 351 A HN 0.146 nan 8.150 nan 0.000 0.499 352 L N 1.663 122.893 121.223 0.011 0.000 2.603 352 L HA 0.274 4.615 4.340 0.001 0.000 0.242 352 L C -0.550 176.295 176.870 -0.042 0.000 1.169 352 L CA -0.313 54.550 54.840 0.039 0.000 1.029 352 L CB 0.501 42.596 42.059 0.060 0.000 1.361 352 L HN 0.258 nan 8.230 nan 0.000 0.439 353 E N 2.029 122.179 120.200 -0.084 0.000 2.373 353 E HA 0.311 4.662 4.350 0.001 0.000 0.267 353 E C -0.315 176.074 176.600 -0.352 0.000 1.032 353 E CA -0.081 56.147 56.400 -0.287 0.000 0.889 353 E CB 0.965 30.483 29.700 -0.304 0.000 0.984 353 E HN 0.371 nan 8.360 nan 0.000 0.425 354 R N 2.314 122.487 120.500 -0.544 0.000 2.599 354 R HA 0.403 4.744 4.340 0.001 0.000 0.295 354 R C -1.257 174.667 176.300 -0.626 0.000 0.963 354 R CA -0.726 55.081 56.100 -0.487 0.000 0.883 354 R CB 1.346 31.408 30.300 -0.397 0.000 1.171 354 R HN 0.473 nan 8.270 nan 0.000 0.450 355 W N 1.520 122.779 121.300 -0.068 0.000 2.702 355 W HA 0.272 4.933 4.660 0.001 0.000 0.331 355 W C -0.442 176.069 176.519 -0.014 0.000 1.049 355 W CA -0.766 56.568 57.345 -0.018 0.000 1.230 355 W CB 1.319 30.779 29.460 0.001 0.000 1.408 355 W HN 0.340 nan 8.180 nan 0.000 0.492 356 D N 1.490 122.040 120.400 0.250 0.000 2.488 356 D HA -0.052 4.589 4.640 0.001 0.000 0.238 356 D C 1.199 177.606 176.300 0.179 0.000 1.138 356 D CA 0.246 54.352 54.000 0.175 0.000 0.873 356 D CB 1.499 42.402 40.800 0.171 0.000 1.183 356 D HN 0.139 nan 8.370 nan 0.000 0.458 357 V N 3.049 123.040 119.914 0.128 0.000 2.392 357 V HA -0.285 3.836 4.120 0.001 0.000 0.249 357 V C 2.412 178.561 176.094 0.093 0.000 1.059 357 V CA 2.004 64.367 62.300 0.106 0.000 1.051 357 V CB -0.390 31.485 31.823 0.087 0.000 0.658 357 V HN 0.631 nan 8.190 nan 0.000 0.455 358 K N -0.253 120.206 120.400 0.098 0.000 2.097 358 K HA -0.212 4.109 4.320 0.001 0.000 0.206 358 K C 2.111 178.777 176.600 0.110 0.000 1.049 358 K CA 1.699 58.039 56.287 0.088 0.000 0.933 358 K CB -0.206 32.343 32.500 0.081 0.000 0.717 358 K HN 0.371 nan 8.250 nan 0.000 0.442 359 L N 0.690 122.005 121.223 0.153 0.000 2.027 359 L HA -0.105 4.236 4.340 0.001 0.000 0.206 359 L C 1.946 178.846 176.870 0.051 0.000 1.074 359 L CA 1.390 56.327 54.840 0.161 0.000 0.745 359 L CB -0.384 41.819 42.059 0.239 0.000 0.898 359 L HN -0.000 nan 8.230 nan 0.000 0.433 360 V N 0.045 119.978 119.914 0.031 0.000 2.295 360 V HA -0.316 3.805 4.120 0.001 0.000 0.246 360 V C 2.668 178.735 176.094 -0.045 0.000 1.049 360 V CA 2.178 64.444 62.300 -0.056 0.000 1.024 360 V CB -0.821 30.987 31.823 -0.024 0.000 0.648 360 V HN 0.511 nan 8.190 nan 0.000 0.447 361 K N 0.158 120.561 120.400 0.004 0.000 2.103 361 K HA -0.163 4.157 4.320 0.001 0.000 0.207 361 K C 2.094 178.699 176.600 0.007 0.000 1.048 361 K CA 1.627 57.914 56.287 0.001 0.000 0.930 361 K CB -0.482 32.033 32.500 0.026 0.000 0.716 361 K HN 0.538 nan 8.250 nan 0.000 0.444 362 G N 0.339 109.157 108.800 0.030 0.000 2.430 362 G HA2 -0.134 3.827 3.960 0.001 0.000 0.216 362 G HA3 -0.134 3.827 3.960 0.001 0.000 0.216 362 G C 1.259 176.187 174.900 0.047 0.000 1.146 362 G CA 0.101 45.233 45.100 0.052 0.000 0.793 362 G HN 0.138 nan 8.290 nan 0.000 0.537 363 L N -0.443 120.779 121.223 -0.001 0.000 2.202 363 L HA 0.463 4.803 4.340 0.001 0.000 0.205 363 L C 0.990 177.822 176.870 -0.063 0.000 1.083 363 L CA 1.018 55.841 54.840 -0.028 0.000 0.790 363 L CB 0.028 42.023 42.059 -0.107 0.000 0.942 363 L HN 0.060 nan 8.230 nan 0.000 0.452 364 L N 0.795 121.923 121.223 -0.159 0.000 2.551 364 L HA 0.253 4.594 4.340 0.001 0.000 0.248 364 L C -1.629 175.085 176.870 -0.260 0.000 1.509 364 L CA -0.847 53.815 54.840 -0.297 0.000 0.842 364 L CB 1.145 42.888 42.059 -0.527 0.000 1.087 364 L HN -0.066 nan 8.230 nan 0.000 0.512 365 P HA -0.201 nan 4.420 nan 0.000 0.216 365 P C 1.444 178.582 177.300 -0.271 0.000 1.150 365 P CA 1.151 64.148 63.100 -0.171 0.000 0.837 365 P CB 0.398 32.062 31.700 -0.060 0.000 0.786 366 R N -0.107 120.047 120.500 -0.575 0.000 2.075 366 R HA -0.140 4.201 4.340 0.001 0.000 0.232 366 R C 2.313 178.362 176.300 -0.418 0.000 1.126 366 R CA 1.690 57.480 56.100 -0.517 0.000 0.963 366 R CB -1.653 28.206 30.300 -0.734 0.000 0.858 366 R HN 0.248 nan 8.270 nan 0.000 0.435 367 H N -1.073 117.734 119.070 -0.439 0.000 2.389 367 H HA -0.039 4.518 4.556 0.001 0.000 0.299 367 H C 1.654 176.904 175.328 -0.130 0.000 1.081 367 H CA 1.820 57.718 56.048 -0.250 0.000 1.345 367 H CB -0.188 29.394 29.762 -0.300 0.000 1.393 367 H HN 0.128 nan 8.280 nan 0.000 0.520 368 M N 0.759 120.343 119.600 -0.027 0.000 2.159 368 M HA -0.179 4.302 4.480 0.001 0.000 0.263 368 M C 1.819 178.129 176.300 0.017 0.000 1.063 368 M CA 1.582 56.884 55.300 0.004 0.000 1.110 368 M CB -0.139 32.455 32.600 -0.009 0.000 1.374 368 M HN 0.234 nan 8.290 nan 0.000 0.411 369 Q N -0.468 119.321 119.800 -0.018 0.000 2.096 369 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 369 Q C 2.123 178.150 176.000 0.045 0.000 0.982 369 Q CA 1.989 57.793 55.803 0.002 0.000 0.850 369 Q CB -0.363 28.363 28.738 -0.019 0.000 0.901 369 Q HN 0.554 nan 8.270 nan 0.000 0.422 370 I N 0.234 120.845 120.570 0.068 0.000 2.252 370 I HA -0.274 3.897 4.170 0.001 0.000 0.245 370 I C 2.154 178.416 176.117 0.241 0.000 1.102 370 I CA 1.033 62.454 61.300 0.202 0.000 1.385 370 I CB -0.171 37.928 38.000 0.166 0.000 1.064 370 I HN 0.196 nan 8.210 nan 0.000 0.414 371 I N 0.747 121.419 120.570 0.170 0.000 2.226 371 I HA -0.298 3.873 4.170 0.001 0.000 0.245 371 I C 2.217 178.434 176.117 0.167 0.000 1.100 371 I CA 1.181 62.590 61.300 0.181 0.000 1.374 371 I CB -0.491 37.595 38.000 0.143 0.000 1.057 371 I HN 0.296 nan 8.210 nan 0.000 0.413 372 N N 0.570 119.341 118.700 0.118 0.000 2.149 372 N HA -0.239 4.502 4.740 0.001 0.000 0.188 372 N C 1.820 177.363 175.510 0.054 0.000 1.019 372 N CA 1.357 54.465 53.050 0.096 0.000 0.857 372 N CB -0.245 38.278 38.487 0.060 0.000 0.997 372 N HN 0.373 nan 8.380 nan 0.000 0.426 373 E N 1.002 121.199 120.200 -0.007 0.000 2.072 373 E HA -0.014 4.337 4.350 0.001 0.000 0.191 373 E C 2.010 178.514 176.600 -0.160 0.000 0.985 373 E CA 0.719 56.998 56.400 -0.202 0.000 0.801 373 E CB -0.220 29.212 29.700 -0.447 0.000 0.750 373 E HN 0.320 nan 8.360 nan 0.000 0.452 374 I N 0.709 121.349 120.570 0.116 0.000 2.163 374 I HA -0.304 3.866 4.170 0.001 0.000 0.243 374 I C 2.326 178.574 176.117 0.218 0.000 1.085 374 I CA 1.481 62.911 61.300 0.216 0.000 1.347 374 I CB -0.438 37.773 38.000 0.352 0.000 1.044 374 I HN 0.228 nan 8.210 nan 0.000 0.408 375 N N 0.373 119.228 118.700 0.258 0.000 2.084 375 N HA -0.168 4.573 4.740 0.001 0.000 0.190 375 N C 1.757 177.487 175.510 0.367 0.000 1.030 375 N CA 2.127 55.417 53.050 0.401 0.000 0.849 375 N CB -0.172 38.528 38.487 0.355 0.000 1.012 375 N HN 0.178 nan 8.380 nan 0.000 0.423 376 T N 0.228 114.876 114.554 0.157 0.000 2.708 376 T HA -0.063 4.288 4.350 0.001 0.000 0.266 376 T C 1.890 176.577 174.700 -0.022 0.000 1.037 376 T CA 1.137 63.255 62.100 0.030 0.000 1.146 376 T CB -0.181 68.656 68.868 -0.051 0.000 0.865 376 T HN 0.274 nan 8.240 nan 0.000 0.435 377 R N -0.059 120.410 120.500 -0.051 0.000 2.096 377 R HA -0.013 4.328 4.340 0.001 0.000 0.235 377 R C 2.176 178.534 176.300 0.098 0.000 1.127 377 R CA 1.154 57.216 56.100 -0.064 0.000 0.968 377 R CB -0.451 29.734 30.300 -0.190 0.000 0.861 377 R HN 0.307 nan 8.270 nan 0.000 0.440 378 F N 2.171 122.169 119.950 0.080 0.000 2.171 378 F HA -0.130 4.398 4.527 0.001 0.000 0.300 378 F C 2.097 178.031 175.800 0.223 0.000 1.090 378 F CA 1.307 59.444 58.000 0.229 0.000 1.293 378 F CB -0.191 39.034 39.000 0.375 0.000 1.013 378 F HN -0.198 nan 8.300 nan 0.000 0.486 379 K N -0.445 119.911 120.400 -0.072 0.000 2.113 379 K HA -0.182 4.139 4.320 0.001 0.000 0.208 379 K C 1.930 178.275 176.600 -0.425 0.000 1.047 379 K CA 1.917 57.830 56.287 -0.624 0.000 0.928 379 K CB -0.294 31.707 32.500 -0.832 0.000 0.716 379 K HN 0.270 nan 8.250 nan 0.000 0.446 380 T N 1.621 116.038 114.554 -0.229 0.000 2.684 380 T HA -0.190 4.161 4.350 0.001 0.000 0.267 380 T C 1.604 176.230 174.700 -0.124 0.000 1.036 380 T CA 1.456 63.464 62.100 -0.154 0.000 1.148 380 T CB -0.222 68.594 68.868 -0.086 0.000 0.863 380 T HN 0.182 nan 8.240 nan 0.000 0.436 381 L N 1.213 122.385 121.223 -0.085 0.000 2.141 381 L HA 0.043 4.383 4.340 0.001 0.000 0.209 381 L C 2.303 179.103 176.870 -0.116 0.000 1.094 381 L CA 1.312 56.128 54.840 -0.040 0.000 0.763 381 L CB -0.521 41.629 42.059 0.152 0.000 0.908 381 L HN 0.081 nan 8.230 nan 0.000 0.437 382 V N -0.399 119.375 119.914 -0.234 0.000 2.548 382 V HA -0.173 3.948 4.120 0.001 0.000 0.249 382 V C 2.554 178.675 176.094 0.044 0.000 1.055 382 V CA 1.452 63.740 62.300 -0.019 0.000 1.065 382 V CB -0.476 31.351 31.823 0.007 0.000 0.681 382 V HN 0.526 nan 8.190 nan 0.000 0.462 383 E N 1.166 121.300 120.200 -0.111 0.000 2.047 383 E HA -0.228 4.123 4.350 0.001 0.000 0.191 383 E C 2.255 178.818 176.600 -0.063 0.000 0.987 383 E CA 1.488 57.832 56.400 -0.094 0.000 0.799 383 E CB -0.391 29.208 29.700 -0.167 0.000 0.752 383 E HN 0.369 nan 8.360 nan 0.000 0.449 384 K N -0.430 119.917 120.400 -0.089 0.000 2.103 384 K HA -0.119 4.202 4.320 0.001 0.000 0.207 384 K C 1.686 178.195 176.600 -0.151 0.000 1.048 384 K CA 1.851 58.078 56.287 -0.100 0.000 0.930 384 K CB -0.275 32.172 32.500 -0.089 0.000 0.716 384 K HN 0.251 nan 8.250 nan 0.000 0.444 385 T N -0.687 113.734 114.554 -0.221 0.000 2.983 385 T HA 0.013 4.364 4.350 0.001 0.000 0.250 385 T C 0.339 174.683 174.700 -0.594 0.000 1.037 385 T CA 0.515 62.301 62.100 -0.524 0.000 1.142 385 T CB 0.107 68.468 68.868 -0.846 0.000 0.876 385 T HN 0.248 nan 8.240 nan 0.000 0.455 386 W N 2.855 124.117 121.300 -0.063 0.000 2.317 386 W HA 0.357 5.017 4.660 0.001 0.000 0.290 386 W C -3.188 173.301 176.519 -0.051 0.000 0.937 386 W CA -2.891 54.425 57.345 -0.048 0.000 1.790 386 W CB -0.226 29.211 29.460 -0.039 0.000 1.847 386 W HN 0.052 nan 8.180 nan 0.000 0.411 387 P HA 0.009 nan 4.420 nan 0.000 0.261 387 P C 1.093 178.422 177.300 0.048 0.000 1.183 387 P CA 1.797 64.918 63.100 0.036 0.000 0.761 387 P CB 0.549 32.249 31.700 0.000 0.000 0.785 388 G N 2.623 111.436 108.800 0.021 0.000 2.220 388 G HA2 -0.272 3.689 3.960 0.001 0.000 0.269 388 G HA3 -0.272 3.689 3.960 0.001 0.000 0.269 388 G C 0.309 175.233 174.900 0.038 0.000 0.977 388 G CA 0.104 45.213 45.100 0.016 0.000 0.634 388 G HN 0.613 nan 8.290 nan 0.000 0.539 389 D N 0.954 121.397 120.400 0.070 0.000 2.383 389 D HA 0.319 4.959 4.640 0.001 0.000 0.245 389 D C 1.467 177.812 176.300 0.074 0.000 1.263 389 D CA -0.084 53.953 54.000 0.063 0.000 0.936 389 D CB 0.138 40.983 40.800 0.075 0.000 1.053 389 D HN 0.543 nan 8.370 nan 0.000 0.507 390 E N 2.426 122.670 120.200 0.073 0.000 2.150 390 E HA -0.207 4.144 4.350 0.001 0.000 0.193 390 E C 1.607 178.251 176.600 0.073 0.000 0.985 390 E CA 0.779 57.254 56.400 0.124 0.000 0.814 390 E CB 0.329 30.090 29.700 0.102 0.000 0.752 390 E HN 0.369 nan 8.360 nan 0.000 0.466 391 K N 0.606 120.999 120.400 -0.012 0.000 2.025 391 K HA -0.106 4.215 4.320 0.001 0.000 0.207 391 K C 1.925 178.418 176.600 -0.179 0.000 1.049 391 K CA 1.044 57.276 56.287 -0.091 0.000 0.933 391 K CB -0.097 32.347 32.500 -0.092 0.000 0.714 391 K HN -0.086 nan 8.250 nan 0.000 0.438 392 V N 0.846 120.637 119.914 -0.204 0.000 2.358 392 V HA -0.211 3.909 4.120 0.001 0.000 0.246 392 V C 2.049 177.986 176.094 -0.261 0.000 1.047 392 V CA 1.807 63.887 62.300 -0.366 0.000 1.035 392 V CB -0.688 30.750 31.823 -0.641 0.000 0.658 392 V HN 0.568 nan 8.190 nan 0.000 0.452 393 W N 1.132 122.287 121.300 -0.242 0.000 2.318 393 W HA -0.298 4.362 4.660 0.001 0.000 0.313 393 W C 2.392 178.771 176.519 -0.233 0.000 1.221 393 W CA 1.960 59.208 57.345 -0.163 0.000 1.266 393 W CB -0.235 29.187 29.460 -0.062 0.000 1.150 393 W HN 0.304 nan 8.180 nan 0.000 0.496 394 A N 0.660 123.173 122.820 -0.511 0.000 1.978 394 A HA -0.279 4.042 4.320 0.001 0.000 0.220 394 A C 1.980 179.052 177.584 -0.853 0.000 1.170 394 A CA 2.224 53.644 52.037 -1.027 0.000 0.636 394 A CB -0.876 17.725 19.000 -0.665 0.000 0.810 394 A HN 0.422 nan 8.150 nan 0.000 0.448 395 K N -0.686 119.375 120.400 -0.565 0.000 2.116 395 K HA 0.142 4.463 4.320 0.001 0.000 0.203 395 K C 1.453 177.793 176.600 -0.433 0.000 1.052 395 K CA 0.832 56.845 56.287 -0.456 0.000 0.952 395 K CB -0.122 32.154 32.500 -0.372 0.000 0.729 395 K HN 0.474 nan 8.250 nan 0.000 0.446 396 L N 0.560 121.518 121.223 -0.442 0.000 2.585 396 L HA 0.262 4.603 4.340 0.001 0.000 0.226 396 L C 0.597 177.431 176.870 -0.060 0.000 1.113 396 L CA -0.451 54.273 54.840 -0.193 0.000 0.876 396 L CB 0.180 42.216 42.059 -0.038 0.000 1.072 396 L HN 0.074 nan 8.230 nan 0.000 0.468 397 A N 0.207 122.643 122.820 -0.641 0.000 2.462 397 A HA 0.251 4.572 4.320 0.001 0.000 0.243 397 A C 1.264 178.749 177.584 -0.166 0.000 1.076 397 A CA -0.194 51.334 52.037 -0.850 0.000 0.773 397 A CB 0.834 19.035 19.000 -1.330 0.000 1.010 397 A HN -0.020 nan 8.150 nan 0.000 0.493 398 V N 2.257 122.233 119.914 0.104 0.000 2.453 398 V HA -0.071 4.050 4.120 0.001 0.000 0.247 398 V C 0.657 176.904 176.094 0.255 0.000 1.048 398 V CA 1.419 63.838 62.300 0.199 0.000 1.049 398 V CB -0.250 31.708 31.823 0.225 0.000 0.672 398 V HN 0.563 nan 8.190 nan 0.000 0.457 399 V N 1.339 121.399 119.914 0.244 0.000 2.407 399 V HA 0.540 4.661 4.120 0.001 0.000 0.291 399 V C -0.630 175.626 176.094 0.271 0.000 1.018 399 V CA -0.522 61.939 62.300 0.268 0.000 0.842 399 V CB 1.361 33.316 31.823 0.220 0.000 0.996 399 V HN 0.473 nan 8.190 nan 0.000 0.426 400 H N 3.512 122.690 119.070 0.181 0.000 3.046 400 H HA 0.253 4.810 4.556 0.001 0.000 0.363 400 H C -0.420 175.000 175.328 0.153 0.000 1.203 400 H CA -0.312 55.794 56.048 0.096 0.000 1.169 400 H CB 2.214 31.911 29.762 -0.108 0.000 1.851 400 H HN 0.690 nan 8.280 nan 0.000 0.546 401 D N 3.023 123.342 120.400 -0.135 0.000 2.686 401 D HA -0.196 4.445 4.640 0.001 0.000 0.235 401 D C -0.062 176.278 176.300 0.067 0.000 1.160 401 D CA 1.683 55.696 54.000 0.022 0.000 0.645 401 D CB -0.847 40.069 40.800 0.195 0.000 1.039 401 D HN 0.761 nan 8.370 nan 0.000 0.423 402 K N -1.781 118.646 120.400 0.045 0.000 3.130 402 K HA -0.278 4.043 4.320 0.001 0.000 0.282 402 K C 0.041 176.690 176.600 0.081 0.000 1.145 402 K CA 1.172 57.496 56.287 0.061 0.000 0.831 402 K CB -1.118 31.410 32.500 0.046 0.000 1.226 402 K HN 0.581 nan 8.250 nan 0.000 0.478 403 Q N 0.062 119.922 119.800 0.100 0.000 2.423 403 Q HA 0.498 4.839 4.340 0.001 0.000 0.278 403 Q C -0.619 175.414 176.000 0.055 0.000 1.097 403 Q CA -0.980 54.846 55.803 0.038 0.000 0.809 403 Q CB 2.893 31.576 28.738 -0.092 0.000 1.391 403 Q HN -0.017 nan 8.270 nan 0.000 0.428 404 V N 1.842 121.780 119.914 0.040 0.000 2.439 404 V HA 0.205 4.326 4.120 0.001 0.000 0.282 404 V C -0.301 175.761 176.094 -0.052 0.000 1.039 404 V CA -0.569 61.795 62.300 0.107 0.000 0.913 404 V CB 1.034 32.968 31.823 0.185 0.000 0.983 404 V HN 0.660 nan 8.190 nan 0.000 0.460 405 H N 6.205 125.338 119.070 0.104 0.000 2.746 405 H HA 0.251 4.808 4.556 0.001 0.000 0.269 405 H C 0.509 175.881 175.328 0.073 0.000 1.248 405 H CA -0.662 55.430 56.048 0.074 0.000 1.258 405 H CB 1.400 31.202 29.762 0.067 0.000 1.441 405 H HN 0.545 nan 8.280 nan 0.000 0.508 406 M N 1.387 121.052 119.600 0.108 0.000 2.117 406 M HA -0.112 4.369 4.480 0.001 0.000 0.262 406 M C 2.430 178.723 176.300 -0.012 0.000 1.065 406 M CA 1.015 56.368 55.300 0.088 0.000 1.114 406 M CB -1.041 31.646 32.600 0.144 0.000 1.361 406 M HN 0.609 nan 8.290 nan 0.000 0.408 407 A N 0.788 123.628 122.820 0.033 0.000 1.908 407 A HA -0.201 4.120 4.320 0.001 0.000 0.218 407 A C 2.038 179.556 177.584 -0.110 0.000 1.181 407 A CA 1.970 53.995 52.037 -0.020 0.000 0.627 407 A CB -0.825 18.357 19.000 0.302 0.000 0.818 407 A HN 0.481 nan 8.150 nan 0.000 0.445 408 N N -0.254 118.492 118.700 0.077 0.000 2.120 408 N HA -0.135 4.605 4.740 0.001 0.000 0.188 408 N C 1.523 176.930 175.510 -0.172 0.000 1.024 408 N CA 1.423 54.493 53.050 0.033 0.000 0.852 408 N CB -0.575 38.050 38.487 0.231 0.000 1.003 408 N HN 0.424 nan 8.380 nan 0.000 0.424 409 L N 0.730 121.896 121.223 -0.094 0.000 2.046 409 L HA -0.086 4.255 4.340 0.001 0.000 0.208 409 L C 1.950 178.663 176.870 -0.262 0.000 1.077 409 L CA 1.469 56.242 54.840 -0.112 0.000 0.747 409 L CB -0.880 41.170 42.059 -0.015 0.000 0.896 409 L HN 0.160 nan 8.230 nan 0.000 0.432 410 C N -1.689 117.369 119.300 -0.402 0.000 2.429 410 C HA -0.123 4.338 4.460 0.001 0.000 0.277 410 C C 2.722 177.383 174.990 -0.549 0.000 1.262 410 C CA 0.917 59.599 59.018 -0.560 0.000 1.733 410 C CB -0.938 26.137 27.740 -1.108 0.000 2.010 410 C HN 0.489 nan 8.230 nan 0.000 0.483 411 V N 0.431 119.952 119.914 -0.654 0.000 2.323 411 V HA -0.147 3.974 4.120 0.001 0.000 0.244 411 V C 2.403 178.106 176.094 -0.652 0.000 1.041 411 V CA 1.849 63.727 62.300 -0.703 0.000 1.025 411 V CB -0.674 30.522 31.823 -1.045 0.000 0.656 411 V HN 0.438 nan 8.190 nan 0.000 0.451 412 V N 0.936 120.494 119.914 -0.593 0.000 2.515 412 V HA -0.097 4.024 4.120 0.001 0.000 0.250 412 V C 2.363 178.326 176.094 -0.218 0.000 1.058 412 V CA 2.077 64.101 62.300 -0.459 0.000 1.064 412 V CB -0.930 30.635 31.823 -0.431 0.000 0.675 412 V HN 0.618 nan 8.190 nan 0.000 0.461 413 G N -0.974 107.702 108.800 -0.208 0.000 2.986 413 G HA2 0.387 4.348 3.960 0.001 0.000 0.213 413 G HA3 0.387 4.348 3.960 0.001 0.000 0.213 413 G C 0.573 175.258 174.900 -0.359 0.000 1.156 413 G CA 0.641 45.594 45.100 -0.246 0.000 0.763 413 G HN 0.623 nan 8.290 nan 0.000 0.547 414 G N -0.498 108.113 108.800 -0.314 0.000 2.820 414 G HA2 0.468 4.428 3.960 0.001 0.000 0.291 414 G HA3 0.468 4.428 3.960 0.001 0.000 0.291 414 G C 0.200 174.953 174.900 -0.245 0.000 1.323 414 G CA -0.668 44.297 45.100 -0.224 0.000 1.055 414 G HN 0.246 nan 8.290 nan 0.000 0.520 415 F N -1.647 118.213 119.950 -0.150 0.000 2.721 415 F HA 0.745 5.273 4.527 0.001 0.000 0.301 415 F C 0.439 176.183 175.800 -0.094 0.000 1.096 415 F CA -0.540 57.371 58.000 -0.148 0.000 1.308 415 F CB 0.254 39.200 39.000 -0.091 0.000 1.086 415 F HN 0.557 nan 8.300 nan 0.000 0.587 416 A N 0.446 122.845 122.820 -0.701 0.000 2.547 416 A HA 0.729 5.049 4.320 0.001 0.000 0.297 416 A C -1.687 175.702 177.584 -0.326 0.000 1.056 416 A CA -0.655 51.140 52.037 -0.403 0.000 0.688 416 A CB 1.399 20.158 19.000 -0.401 0.000 1.282 416 A HN 0.051 nan 8.150 nan 0.000 0.400 417 V N 3.486 123.250 119.914 -0.252 0.000 2.656 417 V HA 0.650 4.771 4.120 0.001 0.000 0.307 417 V C -0.748 175.338 176.094 -0.012 0.000 1.051 417 V CA -0.734 61.453 62.300 -0.189 0.000 0.893 417 V CB 1.946 33.507 31.823 -0.438 0.000 0.999 417 V HN 1.050 nan 8.190 nan 0.000 0.426 418 N N 2.617 121.307 118.700 -0.016 0.000 2.277 418 N HA 0.614 5.355 4.740 0.001 0.000 0.286 418 N C -0.420 175.082 175.510 -0.013 0.000 1.140 418 N CA -0.328 52.739 53.050 0.028 0.000 0.799 418 N CB 2.785 41.258 38.487 -0.025 0.000 1.596 418 N HN 0.691 nan 8.380 nan 0.000 0.473 419 G N -0.867 107.950 108.800 0.029 0.000 2.613 419 G HA2 0.484 4.445 3.960 0.001 0.000 0.303 419 G HA3 0.484 4.445 3.960 0.001 0.000 0.303 419 G C 0.563 175.563 174.900 0.167 0.000 1.312 419 G CA -0.400 44.765 45.100 0.109 0.000 1.036 419 G HN 0.745 nan 8.290 nan 0.000 0.513 420 V N -4.130 115.984 119.914 0.334 0.000 3.346 420 V HA 0.720 4.840 4.120 0.001 0.000 0.309 420 V C 0.431 176.605 176.094 0.133 0.000 1.457 420 V CA 0.399 62.789 62.300 0.149 0.000 1.069 420 V CB -0.551 31.308 31.823 0.059 0.000 0.944 420 V HN 1.408 nan 8.190 nan 0.000 0.449 421 A N -0.570 122.345 122.820 0.159 0.000 2.608 421 A HA 0.876 5.196 4.320 0.001 0.000 0.292 421 A C 0.882 178.527 177.584 0.102 0.000 1.066 421 A CA 0.031 52.139 52.037 0.118 0.000 0.676 421 A CB 0.879 19.940 19.000 0.103 0.000 1.277 421 A HN 0.977 nan 8.150 nan 0.000 0.413 422 A N 0.317 123.177 122.820 0.067 0.000 1.903 422 A HA -0.123 4.198 4.320 0.001 0.000 0.219 422 A C 1.964 179.566 177.584 0.029 0.000 1.191 422 A CA 2.077 54.135 52.037 0.036 0.000 0.638 422 A CB -0.896 18.119 19.000 0.025 0.000 0.823 422 A HN 1.449 nan 8.150 nan 0.000 0.451 423 L N -1.436 119.811 121.223 0.041 0.000 2.017 423 L HA -0.223 4.118 4.340 0.001 0.000 0.208 423 L C 2.699 179.592 176.870 0.038 0.000 1.073 423 L CA 2.302 57.157 54.840 0.025 0.000 0.745 423 L CB -0.546 41.528 42.059 0.024 0.000 0.894 423 L HN 0.730 nan 8.230 nan 0.000 0.432 424 H N -0.867 118.186 119.070 -0.029 0.000 2.321 424 H HA -0.159 4.398 4.556 0.001 0.000 0.300 424 H C 2.162 177.470 175.328 -0.034 0.000 1.087 424 H CA 1.800 57.825 56.048 -0.039 0.000 1.319 424 H CB 0.253 29.997 29.762 -0.030 0.000 1.379 424 H HN 0.361 nan 8.280 nan 0.000 0.501 425 S N 0.037 115.673 115.700 -0.107 0.000 2.419 425 S HA -0.145 4.326 4.470 0.001 0.000 0.233 425 S C 1.681 176.197 174.600 -0.141 0.000 1.016 425 S CA 1.377 59.490 58.200 -0.146 0.000 0.974 425 S CB -0.253 62.939 63.200 -0.015 0.000 0.786 425 S HN 0.566 nan 8.310 nan 0.000 0.492 426 D N 1.363 121.695 120.400 -0.114 0.000 2.117 426 D HA -0.028 4.612 4.640 0.001 0.000 0.198 426 D C 1.772 177.971 176.300 -0.168 0.000 0.982 426 D CA 0.862 54.785 54.000 -0.128 0.000 0.828 426 D CB -0.146 40.605 40.800 -0.082 0.000 0.967 426 D HN 0.288 nan 8.370 nan 0.000 0.464 427 L N -0.224 120.899 121.223 -0.166 0.000 2.201 427 L HA -0.090 4.251 4.340 0.001 0.000 0.212 427 L C 2.450 179.173 176.870 -0.244 0.000 1.105 427 L CA 0.266 54.997 54.840 -0.181 0.000 0.775 427 L CB -0.254 41.723 42.059 -0.137 0.000 0.913 427 L HN 0.067 nan 8.230 nan 0.000 0.440 428 V N -0.671 119.056 119.914 -0.311 0.000 2.343 428 V HA -0.242 3.879 4.120 0.001 0.000 0.247 428 V C 2.358 178.350 176.094 -0.171 0.000 1.051 428 V CA 1.495 63.638 62.300 -0.263 0.000 1.036 428 V CB -0.080 31.632 31.823 -0.184 0.000 0.654 428 V HN 0.197 nan 8.190 nan 0.000 0.451 429 V N -0.677 119.091 119.914 -0.242 0.000 2.488 429 V HA -0.146 3.974 4.120 0.001 0.000 0.246 429 V C 2.319 178.207 176.094 -0.345 0.000 1.046 429 V CA 1.727 63.751 62.300 -0.460 0.000 1.053 429 V CB -0.417 30.965 31.823 -0.734 0.000 0.679 429 V HN 0.524 nan 8.190 nan 0.000 0.458 430 K N -0.759 119.489 120.400 -0.253 0.000 2.202 430 K HA -0.002 4.319 4.320 0.001 0.000 0.201 430 K C 1.426 177.937 176.600 -0.149 0.000 1.051 430 K CA 1.128 57.307 56.287 -0.180 0.000 0.977 430 K CB 0.058 32.471 32.500 -0.145 0.000 0.792 430 K HN 0.382 nan 8.250 nan 0.000 0.469 431 D N 0.130 120.428 120.400 -0.169 0.000 2.463 431 D HA -0.018 4.623 4.640 0.001 0.000 0.237 431 D C 1.580 177.758 176.300 -0.204 0.000 1.013 431 D CA 0.282 54.185 54.000 -0.162 0.000 0.910 431 D CB 0.180 40.889 40.800 -0.152 0.000 1.080 431 D HN -0.062 nan 8.370 nan 0.000 0.498 432 L N -0.831 120.214 121.223 -0.297 0.000 2.145 432 L HA 0.200 4.540 4.340 0.001 0.000 0.201 432 L C 0.072 176.653 176.870 -0.481 0.000 1.075 432 L CA 1.379 55.905 54.840 -0.523 0.000 0.773 432 L CB 0.107 41.668 42.059 -0.830 0.000 0.936 432 L HN -0.161 nan 8.230 nan 0.000 0.451 433 F N 0.004 119.980 119.950 0.043 0.000 2.619 433 F HA 0.414 4.942 4.527 0.001 0.000 0.382 433 F C -1.743 174.045 175.800 -0.020 0.000 1.466 433 F CA -2.322 55.758 58.000 0.134 0.000 1.137 433 F CB -0.364 38.927 39.000 0.486 0.000 1.205 433 F HN 0.004 nan 8.300 nan 0.000 0.525 434 P HA -0.130 nan 4.420 nan 0.000 0.218 434 P C 0.945 178.285 177.300 0.066 0.000 1.149 434 P CA 1.531 64.631 63.100 -0.000 0.000 0.817 434 P CB 0.497 32.167 31.700 -0.050 0.000 0.785 435 E N -0.963 119.223 120.200 -0.025 0.000 2.107 435 E HA -0.138 4.213 4.350 0.001 0.000 0.191 435 E C 2.037 178.728 176.600 0.151 0.000 0.982 435 E CA 1.052 57.434 56.400 -0.029 0.000 0.809 435 E CB -1.001 28.462 29.700 -0.395 0.000 0.756 435 E HN 0.283 nan 8.360 nan 0.000 0.459 436 Y N 0.162 120.614 120.300 0.254 0.000 2.242 436 Y HA -0.168 4.383 4.550 0.001 0.000 0.291 436 Y C 2.399 178.549 175.900 0.417 0.000 1.137 436 Y CA 1.322 59.626 58.100 0.340 0.000 1.181 436 Y CB -0.679 38.129 38.460 0.579 0.000 0.989 436 Y HN 0.314 nan 8.280 nan 0.000 0.527 437 H N 0.357 119.579 119.070 0.253 0.000 2.389 437 H HA -0.140 4.417 4.556 0.001 0.000 0.299 437 H C 1.703 177.100 175.328 0.116 0.000 1.081 437 H CA 1.504 57.535 56.048 -0.028 0.000 1.345 437 H CB 0.263 29.732 29.762 -0.489 0.000 1.393 437 H HN 0.424 nan 8.280 nan 0.000 0.520 438 Q N 0.373 120.222 119.800 0.082 0.000 2.077 438 Q HA -0.167 4.174 4.340 0.001 0.000 0.206 438 Q C 2.735 178.717 176.000 -0.030 0.000 0.989 438 Q CA 1.564 57.383 55.803 0.028 0.000 0.853 438 Q CB -0.032 28.823 28.738 0.195 0.000 0.907 438 Q HN 0.494 nan 8.270 nan 0.000 0.418 439 L N -1.373 119.828 121.223 -0.036 0.000 2.093 439 L HA -0.108 4.233 4.340 0.001 0.000 0.208 439 L C 0.795 177.558 176.870 -0.178 0.000 1.085 439 L CA 0.663 55.314 54.840 -0.316 0.000 0.755 439 L CB 0.022 41.567 42.059 -0.857 0.000 0.904 439 L HN 0.321 nan 8.230 nan 0.000 0.435 440 W N -0.641 120.803 121.300 0.240 0.000 1.590 440 W HA 0.295 4.956 4.660 0.001 0.000 0.299 440 W C -1.939 174.727 176.519 0.244 0.000 0.872 440 W CA -1.924 55.558 57.345 0.228 0.000 1.961 440 W CB -0.444 29.177 29.460 0.268 0.000 2.140 440 W HN -0.042 nan 8.180 nan 0.000 0.433 441 P HA -0.195 nan 4.420 nan 0.000 0.216 441 P C 1.120 178.563 177.300 0.238 0.000 1.150 441 P CA 1.710 64.799 63.100 -0.018 0.000 0.837 441 P CB 0.392 31.971 31.700 -0.201 0.000 0.786 442 N N 0.077 118.896 118.700 0.198 0.000 2.571 442 N HA -0.091 4.650 4.740 0.001 0.000 0.189 442 N C 1.570 177.127 175.510 0.078 0.000 1.154 442 N CA 0.662 53.792 53.050 0.133 0.000 0.907 442 N CB -0.567 37.997 38.487 0.127 0.000 0.977 442 N HN 0.442 nan 8.380 nan 0.000 0.449 443 K N -0.289 120.201 120.400 0.150 0.000 2.400 443 K HA 0.039 4.360 4.320 0.001 0.000 0.194 443 K C -0.425 175.989 176.600 -0.309 0.000 1.033 443 K CA 0.164 56.426 56.287 -0.040 0.000 1.021 443 K CB 0.083 32.517 32.500 -0.109 0.000 0.808 443 K HN -0.133 nan 8.250 nan 0.000 0.505 444 F N 2.046 121.903 119.950 -0.154 0.000 2.404 444 F HA 0.371 4.899 4.527 0.001 0.000 0.339 444 F C 0.609 176.121 175.800 -0.480 0.000 1.105 444 F CA -0.531 57.383 58.000 -0.143 0.000 1.087 444 F CB 0.952 40.011 39.000 0.098 0.000 1.143 444 F HN 0.013 nan 8.300 nan 0.000 0.491 445 H N 0.873 120.039 119.070 0.159 0.000 2.960 445 H HA 0.299 4.856 4.556 0.001 0.000 0.338 445 H C -1.192 174.138 175.328 0.003 0.000 1.261 445 H CA -1.056 55.018 56.048 0.044 0.000 1.136 445 H CB 2.309 32.037 29.762 -0.056 0.000 1.875 445 H HN 0.496 nan 8.280 nan 0.000 0.550 446 N N 0.693 119.449 118.700 0.093 0.000 2.314 446 N HA 0.366 5.106 4.740 0.001 0.000 0.304 446 N C -1.609 173.834 175.510 -0.112 0.000 1.073 446 N CA -0.384 52.668 53.050 0.003 0.000 0.822 446 N CB 2.092 40.582 38.487 0.005 0.000 1.280 446 N HN 0.187 nan 8.380 nan 0.000 0.489 447 V N 2.334 122.145 119.914 -0.172 0.000 2.462 447 V HA 0.191 4.312 4.120 0.001 0.000 0.288 447 V C -0.033 176.025 176.094 -0.059 0.000 1.020 447 V CA -0.710 61.417 62.300 -0.288 0.000 0.857 447 V CB 1.363 32.666 31.823 -0.867 0.000 1.013 447 V HN 0.668 nan 8.190 nan 0.000 0.431 448 T N 4.789 119.342 114.554 -0.001 0.000 2.888 448 T HA 0.126 4.476 4.350 0.001 0.000 0.301 448 T C 0.613 175.429 174.700 0.194 0.000 1.001 448 T CA 0.118 62.278 62.100 0.100 0.000 1.147 448 T CB 0.116 69.040 68.868 0.092 0.000 0.931 448 T HN 0.615 nan 8.240 nan 0.000 0.541 449 N N 1.089 119.937 118.700 0.248 0.000 2.297 449 N HA 0.478 5.219 4.740 0.001 0.000 0.232 449 N C 0.542 176.253 175.510 0.334 0.000 1.311 449 N CA 0.226 53.470 53.050 0.323 0.000 0.897 449 N CB 0.449 39.056 38.487 0.200 0.000 1.137 449 N HN 0.878 nan 8.380 nan 0.000 0.449 450 G N -1.406 107.610 108.800 0.360 0.000 2.606 450 G HA2 0.592 4.553 3.960 0.001 0.000 0.300 450 G HA3 0.592 4.553 3.960 0.001 0.000 0.300 450 G C -1.538 173.521 174.900 0.264 0.000 1.360 450 G CA -0.632 44.664 45.100 0.327 0.000 0.783 450 G HN 0.582 nan 8.290 nan 0.000 0.484 451 I N -2.512 118.201 120.570 0.237 0.000 2.769 451 I HA 0.773 4.944 4.170 0.001 0.000 0.298 451 I C -0.186 176.112 176.117 0.301 0.000 1.128 451 I CA -0.912 60.519 61.300 0.218 0.000 1.031 451 I CB 2.273 40.295 38.000 0.037 0.000 1.235 451 I HN 0.531 nan 8.210 nan 0.000 0.423 452 T N 4.366 119.157 114.554 0.395 0.000 2.794 452 T HA 0.470 4.821 4.350 0.001 0.000 0.296 452 T C -1.750 173.111 174.700 0.268 0.000 0.949 452 T CA -1.529 60.730 62.100 0.265 0.000 1.101 452 T CB 0.860 69.829 68.868 0.169 0.000 0.905 452 T HN 0.621 nan 8.240 nan 0.000 0.516 453 P HA 0.079 nan 4.420 nan 0.000 0.233 453 P C 1.186 178.527 177.300 0.070 0.000 1.167 453 P CA 0.334 63.548 63.100 0.190 0.000 0.770 453 P CB 0.272 32.087 31.700 0.193 0.000 0.837 454 R N 0.053 120.508 120.500 -0.075 0.000 2.078 454 R HA -0.020 4.321 4.340 0.001 0.000 0.224 454 R C 2.528 178.749 176.300 -0.130 0.000 1.149 454 R CA 1.558 57.559 56.100 -0.165 0.000 0.916 454 R CB -1.261 28.936 30.300 -0.172 0.000 0.821 454 R HN 0.019 nan 8.270 nan 0.000 0.434 455 R N -0.728 119.637 120.500 -0.226 0.000 2.083 455 R HA -0.157 4.184 4.340 0.001 0.000 0.237 455 R C 1.517 177.548 176.300 -0.447 0.000 1.137 455 R CA 1.979 57.794 56.100 -0.475 0.000 0.951 455 R CB -0.259 29.519 30.300 -0.870 0.000 0.851 455 R HN 0.329 nan 8.270 nan 0.000 0.434 456 W N -0.781 120.533 121.300 0.023 0.000 3.256 456 W HA 0.254 4.914 4.660 0.001 0.000 0.269 456 W C 1.223 177.772 176.519 0.049 0.000 1.310 456 W CA -0.398 56.965 57.345 0.031 0.000 1.673 456 W CB 0.433 29.916 29.460 0.039 0.000 1.115 456 W HN 0.128 nan 8.180 nan 0.000 0.686 457 I N -1.765 118.947 120.570 0.237 0.000 3.814 457 I HA -0.019 4.151 4.170 0.001 0.000 0.264 457 I C 2.158 178.388 176.117 0.188 0.000 1.145 457 I CA -0.074 61.352 61.300 0.210 0.000 1.375 457 I CB -0.259 37.902 38.000 0.268 0.000 1.638 457 I HN -0.392 nan 8.210 nan 0.000 0.432 458 K N 1.197 121.735 120.400 0.229 0.000 2.063 458 K HA -0.259 4.062 4.320 0.001 0.000 0.208 458 K C 2.137 178.737 176.600 0.001 0.000 1.048 458 K CA 2.045 58.425 56.287 0.154 0.000 0.928 458 K CB 0.047 32.550 32.500 0.006 0.000 0.713 458 K HN 0.246 nan 8.250 nan 0.000 0.442 459 Q N -0.191 119.569 119.800 -0.066 0.000 2.061 459 Q HA -0.121 4.220 4.340 0.001 0.000 0.195 459 Q C 2.356 178.287 176.000 -0.115 0.000 0.967 459 Q CA 1.565 57.285 55.803 -0.138 0.000 0.829 459 Q CB 0.104 28.734 28.738 -0.179 0.000 0.900 459 Q HN 0.629 nan 8.270 nan 0.000 0.450 460 C N -0.182 119.066 119.300 -0.086 0.000 2.563 460 C HA 0.276 4.737 4.460 0.001 0.000 0.268 460 C C 0.969 175.949 174.990 -0.016 0.000 1.365 460 C CA -0.261 58.725 59.018 -0.054 0.000 1.754 460 C CB -0.509 27.216 27.740 -0.025 0.000 1.932 460 C HN 0.316 nan 8.230 nan 0.000 0.536 461 N N 1.169 119.867 118.700 -0.003 0.000 2.723 461 N HA 0.304 5.044 4.740 0.001 0.000 0.290 461 N C -1.772 173.725 175.510 -0.022 0.000 1.882 461 N CA -1.726 51.314 53.050 -0.016 0.000 0.851 461 N CB 0.752 39.233 38.487 -0.011 0.000 1.234 461 N HN 0.256 nan 8.380 nan 0.000 0.491 462 P HA -0.084 nan 4.420 nan 0.000 0.218 462 P C 1.055 178.340 177.300 -0.025 0.000 1.149 462 P CA 0.856 63.938 63.100 -0.030 0.000 0.817 462 P CB 0.396 32.055 31.700 -0.068 0.000 0.785 463 A N -0.103 122.687 122.820 -0.050 0.000 1.898 463 A HA -0.138 4.183 4.320 0.001 0.000 0.216 463 A C 2.204 179.728 177.584 -0.099 0.000 1.181 463 A CA 1.309 53.305 52.037 -0.069 0.000 0.620 463 A CB -1.594 17.356 19.000 -0.084 0.000 0.819 463 A HN 0.159 nan 8.150 nan 0.000 0.442 464 L N -0.103 121.046 121.223 -0.124 0.000 2.046 464 L HA -0.048 4.292 4.340 0.001 0.000 0.208 464 L C 2.640 179.426 176.870 -0.140 0.000 1.077 464 L CA 2.139 56.877 54.840 -0.170 0.000 0.747 464 L CB -0.860 41.082 42.059 -0.195 0.000 0.896 464 L HN 0.339 nan 8.230 nan 0.000 0.432 465 A N -0.571 122.225 122.820 -0.040 0.000 1.940 465 A HA -0.116 4.205 4.320 0.001 0.000 0.219 465 A C 2.429 180.106 177.584 0.154 0.000 1.176 465 A CA 1.881 53.989 52.037 0.119 0.000 0.631 465 A CB -1.084 18.110 19.000 0.324 0.000 0.814 465 A HN 0.575 nan 8.150 nan 0.000 0.446 466 A N -0.701 122.160 122.820 0.069 0.000 1.897 466 A HA 0.068 4.389 4.320 0.001 0.000 0.215 466 A C 2.081 179.674 177.584 0.016 0.000 1.181 466 A CA 1.515 53.590 52.037 0.063 0.000 0.620 466 A CB -0.601 18.413 19.000 0.023 0.000 0.821 466 A HN 0.621 nan 8.150 nan 0.000 0.443 467 L N 0.148 121.339 121.223 -0.052 0.000 2.013 467 L HA -0.181 4.160 4.340 0.001 0.000 0.212 467 L C 2.305 179.126 176.870 -0.082 0.000 1.073 467 L CA 1.826 56.613 54.840 -0.088 0.000 0.753 467 L CB -0.556 41.401 42.059 -0.168 0.000 0.890 467 L HN 0.429 nan 8.230 nan 0.000 0.432 468 L N -0.953 120.171 121.223 -0.166 0.000 2.046 468 L HA -0.222 4.119 4.340 0.001 0.000 0.208 468 L C 2.311 179.130 176.870 -0.085 0.000 1.077 468 L CA 1.405 56.043 54.840 -0.336 0.000 0.747 468 L CB -0.957 40.480 42.059 -1.038 0.000 0.896 468 L HN 0.295 nan 8.230 nan 0.000 0.432 469 D N 0.207 120.714 120.400 0.179 0.000 2.117 469 D HA -0.202 4.439 4.640 0.001 0.000 0.197 469 D C 2.150 178.532 176.300 0.137 0.000 0.987 469 D CA 1.261 55.438 54.000 0.295 0.000 0.829 469 D CB -0.029 40.929 40.800 0.263 0.000 0.961 469 D HN 0.220 nan 8.370 nan 0.000 0.460 470 K N 0.339 120.779 120.400 0.068 0.000 2.057 470 K HA -0.052 4.269 4.320 0.001 0.000 0.207 470 K C 2.081 178.688 176.600 0.011 0.000 1.049 470 K CA 1.129 57.439 56.287 0.039 0.000 0.931 470 K CB 0.174 32.686 32.500 0.020 0.000 0.714 470 K HN -0.062 nan 8.250 nan 0.000 0.440 471 S N 0.246 115.900 115.700 -0.077 0.000 2.446 471 S HA 0.102 4.573 4.470 0.001 0.000 0.225 471 S C 0.564 175.113 174.600 -0.086 0.000 1.016 471 S CA 0.287 58.333 58.200 -0.257 0.000 0.943 471 S CB 0.121 62.924 63.200 -0.661 0.000 0.786 471 S HN 0.119 nan 8.310 nan 0.000 0.508 472 L N 1.676 122.899 121.223 -0.000 0.000 2.331 472 L HA 0.340 4.680 4.340 0.001 0.000 0.275 472 L C 1.353 178.297 176.870 0.123 0.000 1.022 472 L CA -0.664 54.227 54.840 0.085 0.000 0.812 472 L CB 1.485 43.607 42.059 0.106 0.000 1.257 472 L HN 0.086 nan 8.230 nan 0.000 0.435 473 Q N 1.204 121.076 119.800 0.120 0.000 2.187 473 Q HA 0.086 4.427 4.340 0.001 0.000 0.199 473 Q C -0.125 175.939 176.000 0.106 0.000 0.957 473 Q CA 1.015 56.880 55.803 0.103 0.000 0.857 473 Q CB 0.237 29.026 28.738 0.085 0.000 0.929 473 Q HN 0.422 nan 8.270 nan 0.000 0.453 474 K N 1.098 121.573 120.400 0.124 0.000 2.156 474 K HA 0.230 4.551 4.320 0.001 0.000 0.250 474 K C -0.849 175.843 176.600 0.154 0.000 0.955 474 K CA -1.015 55.340 56.287 0.113 0.000 0.855 474 K CB 1.558 34.114 32.500 0.094 0.000 1.101 474 K HN -0.010 nan 8.250 nan 0.000 0.434 475 E N 2.548 122.796 120.200 0.081 0.000 2.652 475 E HA -0.153 4.198 4.350 0.001 0.000 0.255 475 E C 0.224 176.834 176.600 0.018 0.000 0.952 475 E CA 0.521 56.911 56.400 -0.017 0.000 0.947 475 E CB 0.251 29.925 29.700 -0.042 0.000 0.912 475 E HN 0.613 nan 8.360 nan 0.000 0.489 476 W N 3.777 125.087 121.300 0.016 0.000 3.013 476 W HA 0.349 5.010 4.660 0.001 0.000 0.280 476 W C 0.936 177.420 176.519 -0.058 0.000 1.249 476 W CA 0.317 57.658 57.345 -0.007 0.000 1.577 476 W CB -0.590 28.871 29.460 0.001 0.000 1.057 476 W HN 0.584 nan 8.180 nan 0.000 0.613 477 A N 2.867 125.085 122.820 -1.003 0.000 2.015 477 A HA -0.219 4.102 4.320 0.001 0.000 0.219 477 A C 1.440 178.634 177.584 -0.651 0.000 1.163 477 A CA 1.755 53.125 52.037 -1.113 0.000 0.646 477 A CB -0.988 17.024 19.000 -1.647 0.000 0.806 477 A HN 0.382 nan 8.150 nan 0.000 0.448 478 N N -1.163 117.281 118.700 -0.426 0.000 2.401 478 N HA 0.208 4.949 4.740 0.001 0.000 0.264 478 N C -0.852 174.624 175.510 -0.056 0.000 1.238 478 N CA 0.180 53.120 53.050 -0.183 0.000 0.889 478 N CB 0.459 38.910 38.487 -0.059 0.000 1.196 478 N HN 0.150 nan 8.380 nan 0.000 0.511 479 D N 0.079 120.468 120.400 -0.017 0.000 3.250 479 D HA 0.050 4.691 4.640 0.001 0.000 0.252 479 D C 0.097 176.461 176.300 0.106 0.000 1.342 479 D CA -0.395 53.630 54.000 0.041 0.000 0.807 479 D CB -0.081 40.742 40.800 0.040 0.000 1.449 479 D HN 0.003 nan 8.370 nan 0.000 0.610 480 L N 0.868 122.156 121.223 0.109 0.000 2.362 480 L HA 0.058 4.399 4.340 0.001 0.000 0.219 480 L C 1.364 178.304 176.870 0.117 0.000 1.134 480 L CA 1.456 56.395 54.840 0.165 0.000 0.807 480 L CB -0.014 42.136 42.059 0.152 0.000 0.927 480 L HN 0.187 nan 8.230 nan 0.000 0.447 481 D N -0.794 119.649 120.400 0.071 0.000 2.309 481 D HA -0.165 4.476 4.640 0.001 0.000 0.212 481 D C 1.875 178.210 176.300 0.058 0.000 0.968 481 D CA 0.559 54.584 54.000 0.042 0.000 0.882 481 D CB 0.091 40.902 40.800 0.018 0.000 0.918 481 D HN 0.430 nan 8.370 nan 0.000 0.503 482 Q N 0.001 119.858 119.800 0.095 0.000 2.364 482 Q HA -0.082 4.259 4.340 0.001 0.000 0.209 482 Q C 2.007 178.059 176.000 0.086 0.000 0.977 482 Q CA 0.269 56.136 55.803 0.108 0.000 0.885 482 Q CB -0.128 28.713 28.738 0.172 0.000 0.941 482 Q HN 0.294 nan 8.270 nan 0.000 0.464 483 L N 0.211 121.477 121.223 0.072 0.000 2.265 483 L HA -0.142 4.199 4.340 0.001 0.000 0.215 483 L C 2.071 178.946 176.870 0.009 0.000 1.117 483 L CA 0.846 55.693 54.840 0.013 0.000 0.782 483 L CB -0.794 41.269 42.059 0.007 0.000 0.914 483 L HN 0.170 nan 8.230 nan 0.000 0.441 484 I N -0.076 120.505 120.570 0.018 0.000 2.454 484 I HA -0.254 3.916 4.170 0.001 0.000 0.254 484 I C 1.979 178.098 176.117 0.004 0.000 1.156 484 I CA 1.142 62.445 61.300 0.004 0.000 1.433 484 I CB -0.420 37.581 38.000 0.001 0.000 1.082 484 I HN 0.335 nan 8.210 nan 0.000 0.432 485 N N 0.193 118.908 118.700 0.025 0.000 2.573 485 N HA -0.075 4.666 4.740 0.001 0.000 0.187 485 N C 1.732 177.309 175.510 0.112 0.000 1.107 485 N CA 0.762 53.843 53.050 0.051 0.000 0.918 485 N CB -0.165 38.367 38.487 0.076 0.000 0.966 485 N HN 0.427 nan 8.380 nan 0.000 0.448 486 L N 0.801 122.060 121.223 0.061 0.000 2.395 486 L HA -0.035 4.305 4.340 0.001 0.000 0.218 486 L C 1.940 178.808 176.870 -0.003 0.000 1.130 486 L CA 0.550 55.424 54.840 0.057 0.000 0.826 486 L CB -0.155 41.862 42.059 -0.071 0.000 0.941 486 L HN 0.133 nan 8.230 nan 0.000 0.451 487 E N 0.906 121.081 120.200 -0.042 0.000 2.070 487 E HA -0.292 4.059 4.350 0.001 0.000 0.197 487 E C 2.078 178.595 176.600 -0.138 0.000 1.004 487 E CA 1.807 58.155 56.400 -0.087 0.000 0.805 487 E CB -0.080 29.574 29.700 -0.076 0.000 0.744 487 E HN 0.558 nan 8.360 nan 0.000 0.451 488 K N 0.434 120.721 120.400 -0.188 0.000 2.152 488 K HA -0.153 4.168 4.320 0.001 0.000 0.206 488 K C 1.755 178.103 176.600 -0.420 0.000 1.048 488 K CA 1.522 57.622 56.287 -0.312 0.000 0.933 488 K CB -0.447 31.811 32.500 -0.403 0.000 0.721 488 K HN 0.050 nan 8.250 nan 0.000 0.447 489 F N 1.927 121.642 119.950 -0.392 0.000 2.408 489 F HA 0.001 4.528 4.527 0.001 0.000 0.300 489 F C 2.557 178.097 175.800 -0.434 0.000 1.090 489 F CA 0.762 58.395 58.000 -0.611 0.000 1.427 489 F CB -0.318 37.805 39.000 -1.463 0.000 1.070 489 F HN 0.153 nan 8.300 nan 0.000 0.549 490 A N -0.438 122.288 122.820 -0.157 0.000 2.070 490 A HA -0.157 4.164 4.320 0.001 0.000 0.220 490 A C 1.754 179.320 177.584 -0.031 0.000 1.159 490 A CA 1.682 53.680 52.037 -0.065 0.000 0.656 490 A CB -0.493 18.449 19.000 -0.097 0.000 0.800 490 A HN 0.225 nan 8.150 nan 0.000 0.453 491 D N -0.178 120.180 120.400 -0.071 0.000 2.340 491 D HA 0.017 4.658 4.640 0.001 0.000 0.220 491 D C -0.310 175.976 176.300 -0.022 0.000 1.039 491 D CA 0.343 54.310 54.000 -0.055 0.000 0.866 491 D CB 0.122 40.867 40.800 -0.092 0.000 0.913 491 D HN 0.414 nan 8.370 nan 0.000 0.523 492 D N 0.097 120.511 120.400 0.023 0.000 2.392 492 D HA 0.309 4.950 4.640 0.001 0.000 0.228 492 D C 0.995 177.386 176.300 0.152 0.000 1.074 492 D CA -0.603 53.449 54.000 0.085 0.000 0.838 492 D CB 1.478 42.358 40.800 0.133 0.000 1.067 492 D HN -0.116 nan 8.370 nan 0.000 0.511 493 A N 5.299 128.178 122.820 0.097 0.000 1.933 493 A HA -0.184 4.137 4.320 0.001 0.000 0.218 493 A C 1.985 179.631 177.584 0.104 0.000 1.175 493 A CA 1.288 53.377 52.037 0.087 0.000 0.628 493 A CB -0.420 18.610 19.000 0.051 0.000 0.814 493 A HN 0.623 nan 8.150 nan 0.000 0.444 494 K N -1.238 119.233 120.400 0.119 0.000 2.057 494 K HA -0.169 4.152 4.320 0.001 0.000 0.206 494 K C 1.875 178.554 176.600 0.132 0.000 1.050 494 K CA 1.701 58.053 56.287 0.108 0.000 0.935 494 K CB -0.413 32.153 32.500 0.111 0.000 0.715 494 K HN 0.394 nan 8.250 nan 0.000 0.439 495 F N 2.245 122.249 119.950 0.091 0.000 2.102 495 F HA -0.144 4.384 4.527 0.001 0.000 0.298 495 F C 2.332 178.187 175.800 0.091 0.000 1.105 495 F CA 1.549 59.610 58.000 0.102 0.000 1.239 495 F CB -0.060 39.053 39.000 0.189 0.000 0.991 495 F HN -0.015 nan 8.300 nan 0.000 0.474 496 R N -0.113 120.537 120.500 0.251 0.000 2.096 496 R HA -0.221 4.120 4.340 0.001 0.000 0.235 496 R C 2.370 178.705 176.300 0.058 0.000 1.127 496 R CA 1.646 57.834 56.100 0.147 0.000 0.968 496 R CB -0.773 29.605 30.300 0.131 0.000 0.861 496 R HN 0.483 nan 8.270 nan 0.000 0.440 497 Q N 1.152 120.971 119.800 0.032 0.000 2.084 497 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 497 Q C 1.910 177.881 176.000 -0.047 0.000 0.978 497 Q CA 1.584 57.387 55.803 0.000 0.000 0.844 497 Q CB 0.095 28.836 28.738 0.005 0.000 0.898 497 Q HN 0.475 nan 8.270 nan 0.000 0.426 498 Q N -0.869 118.865 119.800 -0.109 0.000 2.084 498 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 498 Q C 1.858 177.734 176.000 -0.207 0.000 0.978 498 Q CA 1.551 57.249 55.803 -0.176 0.000 0.844 498 Q CB -0.205 28.380 28.738 -0.256 0.000 0.898 498 Q HN 0.453 nan 8.270 nan 0.000 0.426 499 Y N 1.280 121.340 120.300 -0.400 0.000 2.200 499 Y HA -0.197 4.354 4.550 0.001 0.000 0.290 499 Y C 2.467 178.278 175.900 -0.148 0.000 1.137 499 Y CA 1.620 59.522 58.100 -0.330 0.000 1.163 499 Y CB 0.036 38.291 38.460 -0.342 0.000 0.988 499 Y HN -0.094 nan 8.280 nan 0.000 0.518 500 R N 0.418 120.968 120.500 0.084 0.000 2.092 500 R HA -0.156 4.185 4.340 0.001 0.000 0.231 500 R C 1.987 178.253 176.300 -0.056 0.000 1.119 500 R CA 1.850 57.975 56.100 0.043 0.000 0.970 500 R CB -0.259 30.076 30.300 0.058 0.000 0.864 500 R HN 0.438 nan 8.270 nan 0.000 0.440 501 E N 0.314 120.470 120.200 -0.073 0.000 2.110 501 E HA -0.175 4.175 4.350 0.001 0.000 0.193 501 E C 1.983 178.516 176.600 -0.112 0.000 0.988 501 E CA 1.412 57.762 56.400 -0.084 0.000 0.804 501 E CB -0.047 29.609 29.700 -0.074 0.000 0.745 501 E HN 0.409 nan 8.360 nan 0.000 0.458 502 I N 0.863 121.337 120.570 -0.160 0.000 2.202 502 I HA -0.268 3.902 4.170 0.001 0.000 0.242 502 I C 2.412 178.419 176.117 -0.183 0.000 1.091 502 I CA 0.910 62.096 61.300 -0.189 0.000 1.368 502 I CB -0.144 37.693 38.000 -0.271 0.000 1.058 502 I HN -0.013 nan 8.210 nan 0.000 0.410 503 K N 0.855 121.128 120.400 -0.212 0.000 2.044 503 K HA -0.235 4.085 4.320 0.001 0.000 0.210 503 K C 2.137 178.662 176.600 -0.125 0.000 1.049 503 K CA 1.741 57.938 56.287 -0.150 0.000 0.927 503 K CB -0.267 32.180 32.500 -0.089 0.000 0.713 503 K HN 0.231 nan 8.250 nan 0.000 0.443 504 Q N -0.535 119.194 119.800 -0.119 0.000 2.119 504 Q HA 0.002 4.343 4.340 0.001 0.000 0.201 504 Q C 2.126 178.064 176.000 -0.102 0.000 0.972 504 Q CA 1.452 57.177 55.803 -0.129 0.000 0.847 504 Q CB -0.321 28.354 28.738 -0.105 0.000 0.903 504 Q HN 0.442 nan 8.270 nan 0.000 0.433 505 A N 1.666 124.438 122.820 -0.081 0.000 1.972 505 A HA -0.197 4.123 4.320 0.001 0.000 0.219 505 A C 1.820 179.382 177.584 -0.038 0.000 1.169 505 A CA 1.460 53.465 52.037 -0.053 0.000 0.635 505 A CB -0.386 18.582 19.000 -0.054 0.000 0.810 505 A HN 0.298 nan 8.150 nan 0.000 0.446 506 N N 0.109 118.777 118.700 -0.053 0.000 2.142 506 N HA -0.112 4.629 4.740 0.001 0.000 0.186 506 N C 1.582 177.101 175.510 0.015 0.000 1.023 506 N CA 1.522 54.558 53.050 -0.023 0.000 0.852 506 N CB -0.324 38.141 38.487 -0.036 0.000 0.998 506 N HN 0.575 nan 8.380 nan 0.000 0.424 507 K N 0.363 120.735 120.400 -0.046 0.000 2.097 507 K HA 0.018 4.339 4.320 0.001 0.000 0.205 507 K C 1.961 178.615 176.600 0.090 0.000 1.050 507 K CA 0.532 56.785 56.287 -0.056 0.000 0.938 507 K CB -0.062 32.115 32.500 -0.539 0.000 0.718 507 K HN -0.064 nan 8.250 nan 0.000 0.442 508 V N 1.527 121.455 119.914 0.023 0.000 2.332 508 V HA -0.261 3.860 4.120 0.001 0.000 0.248 508 V C 2.250 178.405 176.094 0.102 0.000 1.055 508 V CA 1.691 64.028 62.300 0.063 0.000 1.038 508 V CB -0.435 31.402 31.823 0.023 0.000 0.651 508 V HN 0.288 nan 8.190 nan 0.000 0.450 509 R N -0.766 119.785 120.500 0.085 0.000 2.075 509 R HA -0.128 4.213 4.340 0.001 0.000 0.232 509 R C 2.233 178.624 176.300 0.152 0.000 1.126 509 R CA 1.429 57.585 56.100 0.093 0.000 0.963 509 R CB -0.521 29.809 30.300 0.050 0.000 0.858 509 R HN 0.387 nan 8.270 nan 0.000 0.435 510 L N 0.850 122.185 121.223 0.187 0.000 2.056 510 L HA -0.059 4.281 4.340 0.001 0.000 0.207 510 L C 2.235 179.267 176.870 0.271 0.000 1.078 510 L CA 1.844 56.836 54.840 0.253 0.000 0.749 510 L CB -0.685 41.557 42.059 0.304 0.000 0.901 510 L HN 0.095 nan 8.230 nan 0.000 0.433 511 A N -0.674 122.304 122.820 0.263 0.000 1.908 511 A HA -0.259 4.061 4.320 0.001 0.000 0.218 511 A C 2.164 179.838 177.584 0.151 0.000 1.181 511 A CA 1.990 54.145 52.037 0.197 0.000 0.627 511 A CB -0.660 18.469 19.000 0.215 0.000 0.818 511 A HN 0.624 nan 8.150 nan 0.000 0.445 512 E N -1.495 118.800 120.200 0.159 0.000 2.031 512 E HA -0.180 4.170 4.350 0.001 0.000 0.193 512 E C 1.799 178.502 176.600 0.171 0.000 0.994 512 E CA 1.358 57.841 56.400 0.139 0.000 0.800 512 E CB -0.307 29.474 29.700 0.134 0.000 0.752 512 E HN 0.678 nan 8.360 nan 0.000 0.447 513 F N 1.209 121.195 119.950 0.059 0.000 2.126 513 F HA -0.221 4.307 4.527 0.001 0.000 0.299 513 F C 2.102 177.936 175.800 0.056 0.000 1.096 513 F CA 1.058 59.092 58.000 0.058 0.000 1.255 513 F CB -0.260 38.780 39.000 0.067 0.000 0.997 513 F HN -0.192 nan 8.300 nan 0.000 0.479 514 V N 0.717 120.681 119.914 0.083 0.000 2.407 514 V HA -0.314 3.807 4.120 0.001 0.000 0.248 514 V C 2.440 178.498 176.094 -0.060 0.000 1.055 514 V CA 2.262 64.543 62.300 -0.032 0.000 1.049 514 V CB -0.734 31.105 31.823 0.026 0.000 0.662 514 V HN 0.370 nan 8.190 nan 0.000 0.455 515 K N 0.698 121.093 120.400 -0.009 0.000 2.026 515 K HA -0.169 4.151 4.320 0.001 0.000 0.208 515 K C 2.101 178.679 176.600 -0.036 0.000 1.048 515 K CA 2.039 58.322 56.287 -0.007 0.000 0.929 515 K CB -0.438 32.075 32.500 0.022 0.000 0.713 515 K HN 0.377 nan 8.250 nan 0.000 0.439 516 V N -0.013 119.868 119.914 -0.055 0.000 2.626 516 V HA -0.077 4.044 4.120 0.001 0.000 0.252 516 V C 1.790 177.804 176.094 -0.135 0.000 1.067 516 V CA 1.308 63.565 62.300 -0.073 0.000 1.081 516 V CB -0.428 31.371 31.823 -0.042 0.000 0.686 516 V HN 0.288 nan 8.190 nan 0.000 0.468 517 R N 0.855 121.210 120.500 -0.241 0.000 2.246 517 R HA 0.143 4.484 4.340 0.001 0.000 0.199 517 R C 1.981 178.217 176.300 -0.106 0.000 0.984 517 R CA 1.332 57.286 56.100 -0.242 0.000 1.015 517 R CB -0.121 29.913 30.300 -0.444 0.000 0.930 517 R HN 0.825 nan 8.270 nan 0.000 0.475 518 T N -5.919 108.595 114.554 -0.066 0.000 3.046 518 T HA 0.194 4.544 4.350 0.001 0.000 0.270 518 T C 1.276 175.978 174.700 0.003 0.000 0.920 518 T CA 0.653 62.751 62.100 -0.004 0.000 0.874 518 T CB 0.860 69.744 68.868 0.027 0.000 1.214 518 T HN 0.234 nan 8.240 nan 0.000 0.536 519 G N 1.963 110.757 108.800 -0.010 0.000 2.184 519 G HA2 -0.218 3.743 3.960 0.001 0.000 0.264 519 G HA3 -0.218 3.743 3.960 0.001 0.000 0.264 519 G C 0.044 174.947 174.900 0.005 0.000 0.975 519 G CA 0.297 45.398 45.100 0.000 0.000 0.642 519 G HN 0.718 nan 8.290 nan 0.000 0.536 520 I N 1.062 121.634 120.570 0.004 0.000 2.395 520 I HA 0.308 4.479 4.170 0.001 0.000 0.289 520 I C 0.614 176.734 176.117 0.004 0.000 1.023 520 I CA -0.327 60.975 61.300 0.004 0.000 1.350 520 I CB 1.402 39.404 38.000 0.003 0.000 1.409 520 I HN 0.187 nan 8.210 nan 0.000 0.507 521 E N 7.692 127.897 120.200 0.008 0.000 2.089 521 E HA 0.360 4.711 4.350 0.001 0.000 0.284 521 E C -0.726 175.882 176.600 0.015 0.000 1.023 521 E CA -0.590 55.821 56.400 0.018 0.000 0.819 521 E CB 0.730 30.443 29.700 0.021 0.000 1.076 521 E HN 0.511 nan 8.360 nan 0.000 0.396 522 I N 1.481 122.063 120.570 0.019 0.000 2.437 522 I HA 0.468 4.639 4.170 0.001 0.000 0.298 522 I C -0.235 175.944 176.117 0.103 0.000 0.984 522 I CA -1.175 60.136 61.300 0.018 0.000 1.214 522 I CB 1.491 39.432 38.000 -0.099 0.000 1.365 522 I HN 0.301 nan 8.210 nan 0.000 0.469 523 N N 6.570 125.339 118.700 0.116 0.000 2.422 523 N HA 0.346 5.086 4.740 0.001 0.000 0.264 523 N C -1.886 173.758 175.510 0.224 0.000 1.063 523 N CA -2.180 50.948 53.050 0.129 0.000 0.959 523 N CB 0.976 39.506 38.487 0.071 0.000 1.087 523 N HN 0.416 nan 8.380 nan 0.000 0.483 524 P HA -0.009 nan 4.420 nan 0.000 0.245 524 P C 0.217 177.436 177.300 -0.135 0.000 1.212 524 P CA 0.831 63.919 63.100 -0.020 0.000 0.774 524 P CB 0.312 31.995 31.700 -0.027 0.000 0.999 525 Q N -0.731 119.047 119.800 -0.038 0.000 2.408 525 Q HA 0.220 4.560 4.340 0.001 0.000 0.205 525 Q C 0.833 176.806 176.000 -0.045 0.000 0.919 525 Q CA -0.173 55.604 55.803 -0.043 0.000 0.932 525 Q CB 0.125 28.854 28.738 -0.015 0.000 1.058 525 Q HN 0.166 nan 8.270 nan 0.000 0.517 526 A N 0.739 123.546 122.820 -0.022 0.000 2.332 526 A HA 0.290 4.611 4.320 0.001 0.000 0.258 526 A C -0.123 177.348 177.584 -0.188 0.000 1.087 526 A CA -0.483 51.514 52.037 -0.066 0.000 0.802 526 A CB 0.221 19.235 19.000 0.023 0.000 1.042 526 A HN 0.278 nan 8.150 nan 0.000 0.489 527 I N 1.615 121.923 120.570 -0.436 0.000 2.662 527 I HA -0.026 4.145 4.170 0.001 0.000 0.285 527 I C -0.660 175.385 176.117 -0.120 0.000 1.161 527 I CA 0.309 61.256 61.300 -0.588 0.000 1.415 527 I CB -0.062 37.457 38.000 -0.802 0.000 1.385 527 I HN 0.349 nan 8.210 nan 0.000 0.552 528 F N 5.310 125.071 119.950 -0.317 0.000 2.404 528 F HA 0.172 4.700 4.527 0.001 0.000 0.359 528 F C 0.668 176.302 175.800 -0.276 0.000 1.134 528 F CA -0.835 57.013 58.000 -0.253 0.000 1.160 528 F CB -0.096 38.827 39.000 -0.128 0.000 1.186 528 F HN 0.385 nan 8.300 nan 0.000 0.526 529 D N 5.607 125.830 120.400 -0.295 0.000 2.427 529 D HA 0.344 4.985 4.640 0.001 0.000 0.226 529 D C -0.593 175.517 176.300 -0.317 0.000 1.076 529 D CA -0.092 53.675 54.000 -0.388 0.000 0.849 529 D CB 0.727 40.989 40.800 -0.895 0.000 1.052 529 D HN 0.337 nan 8.370 nan 0.000 0.515 530 I N 3.072 123.529 120.570 -0.188 0.000 2.418 530 I HA 0.224 4.395 4.170 0.001 0.000 0.287 530 I C -0.128 175.862 176.117 -0.212 0.000 1.008 530 I CA -0.678 60.497 61.300 -0.209 0.000 1.104 530 I CB 2.199 40.136 38.000 -0.104 0.000 1.264 530 I HN 0.178 nan 8.210 nan 0.000 0.438 531 Q N 7.977 127.567 119.800 -0.350 0.000 2.363 531 Q HA 0.579 4.920 4.340 0.001 0.000 0.265 531 Q C -1.322 174.499 176.000 -0.299 0.000 1.032 531 Q CA -0.569 55.063 55.803 -0.285 0.000 0.746 531 Q CB 1.610 30.180 28.738 -0.281 0.000 1.237 531 Q HN 0.718 nan 8.270 nan 0.000 0.475 532 I N 1.924 122.326 120.570 -0.280 0.000 2.478 532 I HA 0.694 4.864 4.170 0.001 0.000 0.287 532 I C -1.189 174.724 176.117 -0.339 0.000 1.042 532 I CA -0.681 60.321 61.300 -0.496 0.000 1.067 532 I CB 1.426 39.112 38.000 -0.523 0.000 1.233 532 I HN 0.509 nan 8.210 nan 0.000 0.431 533 K N 3.407 123.603 120.400 -0.340 0.000 3.245 533 K HA 0.297 4.618 4.320 0.001 0.000 0.350 533 K C -1.442 175.160 176.600 0.003 0.000 1.129 533 K CA -1.164 55.090 56.287 -0.054 0.000 0.883 533 K CB 0.538 33.000 32.500 -0.063 0.000 1.411 533 K HN 0.630 nan 8.250 nan 0.000 0.412 534 R N 0.544 121.089 120.500 0.074 0.000 2.698 534 R HA 0.065 4.406 4.340 0.001 0.000 0.266 534 R C 0.051 176.376 176.300 0.042 0.000 1.026 534 R CA -0.657 55.500 56.100 0.096 0.000 1.102 534 R CB 0.141 30.509 30.300 0.114 0.000 0.978 534 R HN 0.354 nan 8.270 nan 0.000 0.436 535 L N 4.837 126.100 121.223 0.067 0.000 2.407 535 L HA 0.105 4.446 4.340 0.001 0.000 0.282 535 L C -0.461 176.375 176.870 -0.056 0.000 1.110 535 L CA 0.750 55.584 54.840 -0.010 0.000 0.863 535 L CB -0.336 41.718 42.059 -0.008 0.000 1.207 535 L HN 0.583 nan 8.230 nan 0.000 0.454 536 H N 3.368 122.313 119.070 -0.208 0.000 2.806 536 H HA 0.158 4.714 4.556 0.001 0.000 0.367 536 H C 0.512 175.666 175.328 -0.290 0.000 1.136 536 H CA -0.391 55.540 56.048 -0.194 0.000 1.178 536 H CB 1.627 31.219 29.762 -0.283 0.000 1.718 536 H HN 0.692 nan 8.280 nan 0.000 0.540 537 E N 2.402 122.671 120.200 0.115 0.000 2.086 537 E HA -0.289 4.062 4.350 0.001 0.000 0.200 537 E C 1.322 177.769 176.600 -0.255 0.000 1.012 537 E CA 2.226 58.602 56.400 -0.039 0.000 0.812 537 E CB -0.049 29.670 29.700 0.032 0.000 0.743 537 E HN 0.634 nan 8.360 nan 0.000 0.453 538 Y N 0.276 120.245 120.300 -0.552 0.000 2.352 538 Y HA -0.054 4.496 4.550 0.001 0.000 0.292 538 Y C 1.602 177.370 175.900 -0.221 0.000 1.136 538 Y CA 1.061 58.752 58.100 -0.681 0.000 1.227 538 Y CB -0.270 37.815 38.460 -0.625 0.000 0.991 538 Y HN -0.155 nan 8.280 nan 0.000 0.545 539 K N 0.595 120.632 120.400 -0.605 0.000 2.288 539 K HA 0.029 4.350 4.320 0.001 0.000 0.201 539 K C 0.235 176.773 176.600 -0.104 0.000 1.048 539 K CA 0.755 56.828 56.287 -0.356 0.000 0.956 539 K CB -0.071 32.178 32.500 -0.419 0.000 0.746 539 K HN 0.241 nan 8.250 nan 0.000 0.461 540 R N 0.350 120.848 120.500 -0.003 0.000 3.332 540 R HA -0.225 4.116 4.340 0.001 0.000 0.263 540 R C 0.336 176.713 176.300 0.129 0.000 1.053 540 R CA 0.193 56.363 56.100 0.117 0.000 0.705 540 R CB -1.928 28.357 30.300 -0.025 0.000 1.166 540 R HN 0.300 nan 8.270 nan 0.000 0.427 541 Q N 0.018 119.912 119.800 0.157 0.000 2.197 541 Q HA -0.196 4.145 4.340 0.001 0.000 0.207 541 Q C 2.103 178.213 176.000 0.184 0.000 0.984 541 Q CA 2.104 58.008 55.803 0.169 0.000 0.869 541 Q CB -0.219 28.547 28.738 0.048 0.000 0.906 541 Q HN 0.710 nan 8.270 nan 0.000 0.426 542 H N -0.778 118.273 119.070 -0.033 0.000 2.491 542 H HA -0.056 4.501 4.556 0.001 0.000 0.290 542 H C 1.846 177.196 175.328 0.038 0.000 1.050 542 H CA 1.017 57.044 56.048 -0.034 0.000 1.309 542 H CB -0.607 29.128 29.762 -0.045 0.000 1.392 542 H HN 0.272 nan 8.280 nan 0.000 0.554 543 L N 1.407 122.580 121.223 -0.083 0.000 2.072 543 L HA -0.056 4.285 4.340 0.001 0.000 0.205 543 L C 2.197 179.209 176.870 0.236 0.000 1.079 543 L CA 1.831 56.682 54.840 0.020 0.000 0.752 543 L CB -1.104 40.888 42.059 -0.112 0.000 0.906 543 L HN 0.358 nan 8.230 nan 0.000 0.436 544 N N -0.923 117.907 118.700 0.217 0.000 2.036 544 N HA -0.280 4.461 4.740 0.001 0.000 0.195 544 N C 1.960 177.611 175.510 0.235 0.000 1.037 544 N CA 1.643 54.910 53.050 0.361 0.000 0.855 544 N CB -0.215 38.477 38.487 0.342 0.000 1.033 544 N HN 0.370 nan 8.380 nan 0.000 0.423 545 L N 1.111 122.416 121.223 0.136 0.000 2.083 545 L HA -0.057 4.283 4.340 0.001 0.000 0.209 545 L C 1.933 178.787 176.870 -0.027 0.000 1.083 545 L CA 1.271 56.094 54.840 -0.029 0.000 0.752 545 L CB -0.434 41.543 42.059 -0.137 0.000 0.899 545 L HN 0.297 nan 8.230 nan 0.000 0.433 546 L N -1.008 120.267 121.223 0.086 0.000 2.042 546 L HA -0.285 4.056 4.340 0.001 0.000 0.210 546 L C 2.706 179.770 176.870 0.324 0.000 1.076 546 L CA 1.834 56.766 54.840 0.154 0.000 0.749 546 L CB -1.084 41.068 42.059 0.155 0.000 0.893 546 L HN 0.524 nan 8.230 nan 0.000 0.432 547 H N 0.558 119.791 119.070 0.271 0.000 2.389 547 H HA -0.142 4.415 4.556 0.001 0.000 0.299 547 H C 2.346 177.601 175.328 -0.123 0.000 1.081 547 H CA 1.621 57.698 56.048 0.049 0.000 1.345 547 H CB 0.204 29.845 29.762 -0.201 0.000 1.393 547 H HN 0.291 nan 8.280 nan 0.000 0.520 548 I N 0.777 121.074 120.570 -0.455 0.000 2.179 548 I HA -0.314 3.857 4.170 0.001 0.000 0.242 548 I C 2.649 178.579 176.117 -0.311 0.000 1.088 548 I CA 0.868 61.782 61.300 -0.645 0.000 1.357 548 I CB -0.228 37.383 38.000 -0.648 0.000 1.051 548 I HN 0.241 nan 8.210 nan 0.000 0.409 549 L N 0.444 121.572 121.223 -0.157 0.000 2.042 549 L HA -0.242 4.099 4.340 0.001 0.000 0.210 549 L C 2.839 179.725 176.870 0.025 0.000 1.076 549 L CA 1.453 56.287 54.840 -0.011 0.000 0.749 549 L CB -0.740 41.311 42.059 -0.014 0.000 0.893 549 L HN 0.264 nan 8.230 nan 0.000 0.432 550 A N -0.104 122.724 122.820 0.014 0.000 1.902 550 A HA -0.169 4.151 4.320 0.001 0.000 0.217 550 A C 2.269 179.827 177.584 -0.043 0.000 1.181 550 A CA 1.380 53.445 52.037 0.047 0.000 0.623 550 A CB -0.654 18.458 19.000 0.185 0.000 0.818 550 A HN 0.350 nan 8.150 nan 0.000 0.443 551 L N -1.878 119.240 121.223 -0.175 0.000 2.017 551 L HA -0.202 4.139 4.340 0.001 0.000 0.208 551 L C 2.639 179.522 176.870 0.022 0.000 1.073 551 L CA 1.800 56.565 54.840 -0.125 0.000 0.745 551 L CB -0.613 41.318 42.059 -0.213 0.000 0.894 551 L HN 0.599 nan 8.230 nan 0.000 0.432 552 Y N 1.172 121.402 120.300 -0.116 0.000 2.165 552 Y HA -0.304 4.246 4.550 0.001 0.000 0.286 552 Y C 2.620 178.507 175.900 -0.022 0.000 1.155 552 Y CA 1.646 59.712 58.100 -0.058 0.000 1.164 552 Y CB -0.434 37.993 38.460 -0.055 0.000 0.978 552 Y HN 0.051 nan 8.280 nan 0.000 0.513 553 K N 0.308 120.653 120.400 -0.091 0.000 2.032 553 K HA -0.276 4.044 4.320 0.001 0.000 0.209 553 K C 2.265 178.811 176.600 -0.089 0.000 1.048 553 K CA 1.952 58.143 56.287 -0.161 0.000 0.927 553 K CB -0.353 32.102 32.500 -0.076 0.000 0.712 553 K HN 0.494 nan 8.250 nan 0.000 0.441 554 E N 0.826 121.007 120.200 -0.033 0.000 2.085 554 E HA -0.209 4.142 4.350 0.001 0.000 0.194 554 E C 2.058 178.652 176.600 -0.010 0.000 0.994 554 E CA 1.675 58.066 56.400 -0.016 0.000 0.801 554 E CB -0.219 29.477 29.700 -0.006 0.000 0.743 554 E HN 0.576 nan 8.360 nan 0.000 0.453 555 I N -1.905 118.673 120.570 0.014 0.000 2.617 555 I HA -0.122 4.049 4.170 0.001 0.000 0.256 555 I C 2.222 178.349 176.117 0.016 0.000 1.167 555 I CA 0.770 62.090 61.300 0.033 0.000 1.469 555 I CB -0.226 37.820 38.000 0.076 0.000 1.098 555 I HN -0.011 nan 8.210 nan 0.000 0.436 556 R N 1.376 121.854 120.500 -0.035 0.000 2.075 556 R HA -0.048 4.293 4.340 0.001 0.000 0.232 556 R C 1.334 177.597 176.300 -0.061 0.000 1.126 556 R CA 1.654 57.706 56.100 -0.081 0.000 0.963 556 R CB -0.120 30.038 30.300 -0.236 0.000 0.858 556 R HN 0.546 nan 8.270 nan 0.000 0.435 557 E N 0.060 120.224 120.200 -0.061 0.000 2.419 557 E HA 0.036 4.387 4.350 0.001 0.000 0.190 557 E C -0.539 176.046 176.600 -0.024 0.000 1.040 557 E CA -0.133 56.240 56.400 -0.044 0.000 0.900 557 E CB 0.284 29.956 29.700 -0.047 0.000 1.054 557 E HN 0.067 nan 8.360 nan 0.000 0.462 558 N N 0.403 119.093 118.700 -0.016 0.000 3.151 558 N HA 0.037 4.777 4.740 0.001 0.000 0.219 558 N C -2.434 173.075 175.510 -0.001 0.000 1.434 558 N CA -1.218 51.827 53.050 -0.007 0.000 0.767 558 N CB 0.929 39.413 38.487 -0.005 0.000 1.564 558 N HN -0.208 nan 8.380 nan 0.000 0.612 559 P HA -0.073 nan 4.420 nan 0.000 0.228 559 P C -0.003 177.302 177.300 0.007 0.000 1.151 559 P CA 1.040 64.144 63.100 0.007 0.000 0.770 559 P CB 0.452 32.156 31.700 0.006 0.000 0.786 560 Q N -0.342 119.460 119.800 0.004 0.000 2.268 560 Q HA 0.412 4.753 4.340 0.001 0.000 0.289 560 Q C 0.242 176.244 176.000 0.004 0.000 0.893 560 Q CA -0.354 55.452 55.803 0.004 0.000 1.057 560 Q CB 0.059 28.799 28.738 0.003 0.000 1.173 560 Q HN 0.121 nan 8.270 nan 0.000 0.449 561 A N 0.229 123.052 122.820 0.005 0.000 2.462 561 A HA 0.056 4.377 4.320 0.001 0.000 0.243 561 A C 0.541 178.127 177.584 0.004 0.000 1.076 561 A CA -0.176 51.863 52.037 0.004 0.000 0.773 561 A CB 0.377 19.380 19.000 0.005 0.000 1.010 561 A HN 0.223 nan 8.150 nan 0.000 0.493 562 D N 0.335 120.736 120.400 0.003 0.000 2.336 562 D HA 0.015 4.655 4.640 0.001 0.000 0.229 562 D C 0.298 176.598 176.300 -0.001 0.000 1.061 562 D CA 0.333 54.335 54.000 0.003 0.000 0.875 562 D CB -0.007 40.796 40.800 0.005 0.000 0.904 562 D HN 0.312 nan 8.370 nan 0.000 0.525 563 R N 0.236 120.734 120.500 -0.004 0.000 2.590 563 R HA 0.118 4.458 4.340 0.001 0.000 0.274 563 R C 0.086 176.372 176.300 -0.024 0.000 1.061 563 R CA -0.455 55.638 56.100 -0.013 0.000 1.081 563 R CB 0.405 30.700 30.300 -0.008 0.000 0.984 563 R HN -0.035 nan 8.270 nan 0.000 0.448 564 V N 3.427 123.312 119.914 -0.048 0.000 2.686 564 V HA 0.258 4.379 4.120 0.001 0.000 0.295 564 V C -1.990 174.043 176.094 -0.101 0.000 1.055 564 V CA -1.811 60.444 62.300 -0.074 0.000 1.050 564 V CB 0.781 32.554 31.823 -0.084 0.000 0.984 564 V HN 0.584 nan 8.190 nan 0.000 0.482 565 P HA 0.170 nan 4.420 nan 0.000 0.264 565 P C -0.824 176.388 177.300 -0.146 0.000 1.183 565 P CA 0.498 63.552 63.100 -0.078 0.000 0.763 565 P CB 0.217 31.888 31.700 -0.048 0.000 0.807 566 R N 1.558 121.987 120.500 -0.119 0.000 2.744 566 R HA 0.605 4.945 4.340 0.001 0.000 0.279 566 R C -1.388 174.806 176.300 -0.177 0.000 0.977 566 R CA -1.050 54.910 56.100 -0.233 0.000 0.906 566 R CB 2.099 32.210 30.300 -0.316 0.000 1.197 566 R HN 0.170 nan 8.270 nan 0.000 0.463 567 V N 3.656 123.403 119.914 -0.277 0.000 2.378 567 V HA 0.369 4.490 4.120 0.001 0.000 0.288 567 V C -0.743 175.076 176.094 -0.459 0.000 1.016 567 V CA -0.676 61.460 62.300 -0.274 0.000 0.840 567 V CB 1.077 32.661 31.823 -0.399 0.000 0.994 567 V HN 0.521 nan 8.190 nan 0.000 0.431 568 F N 5.648 125.476 119.950 -0.203 0.000 2.421 568 F HA 0.527 5.055 4.527 0.001 0.000 0.358 568 F C 0.120 175.731 175.800 -0.315 0.000 1.115 568 F CA -0.232 57.605 58.000 -0.272 0.000 1.160 568 F CB 0.836 39.709 39.000 -0.213 0.000 1.123 568 F HN 0.242 nan 8.300 nan 0.000 0.508 569 L N 4.553 125.595 121.223 -0.302 0.000 2.307 569 L HA 0.531 4.872 4.340 0.001 0.000 0.284 569 L C -0.861 175.710 176.870 -0.499 0.000 1.023 569 L CA -0.396 54.286 54.840 -0.263 0.000 0.810 569 L CB 1.091 43.016 42.059 -0.224 0.000 1.231 569 L HN 0.381 nan 8.230 nan 0.000 0.423 570 F N 0.642 120.449 119.950 -0.239 0.000 2.520 570 F HA 0.750 5.278 4.527 0.001 0.000 0.322 570 F C 0.632 176.236 175.800 -0.327 0.000 1.103 570 F CA -0.721 56.986 58.000 -0.488 0.000 0.926 570 F CB 2.251 40.553 39.000 -1.162 0.000 1.154 570 F HN 0.391 nan 8.300 nan 0.000 0.453 571 G N 1.295 109.985 108.800 -0.183 0.000 2.666 571 G HA2 0.771 4.732 3.960 0.001 0.000 0.303 571 G HA3 0.771 4.732 3.960 0.001 0.000 0.303 571 G C -1.797 173.003 174.900 -0.168 0.000 1.412 571 G CA -0.905 44.123 45.100 -0.119 0.000 0.979 571 G HN 0.980 nan 8.290 nan 0.000 0.507 572 A N 2.337 125.351 122.820 0.323 0.000 2.572 572 A HA 0.675 4.995 4.320 0.001 0.000 0.303 572 A C -0.876 176.965 177.584 0.428 0.000 1.059 572 A CA -0.821 51.402 52.037 0.309 0.000 0.788 572 A CB 1.180 20.323 19.000 0.238 0.000 1.282 572 A HN 0.599 nan 8.150 nan 0.000 0.397 573 K N 0.963 121.542 120.400 0.297 0.000 2.207 573 K HA 0.759 5.080 4.320 0.001 0.000 0.255 573 K C -0.121 176.645 176.600 0.278 0.000 0.941 573 K CA -0.438 56.020 56.287 0.284 0.000 0.825 573 K CB 2.426 34.951 32.500 0.042 0.000 1.119 573 K HN 0.965 nan 8.250 nan 0.000 0.430 574 A N 1.615 124.639 122.820 0.339 0.000 2.305 574 A HA 0.617 4.938 4.320 0.001 0.000 0.322 574 A C -0.170 177.609 177.584 0.326 0.000 1.187 574 A CA -0.649 51.511 52.037 0.204 0.000 0.825 574 A CB 0.810 19.842 19.000 0.055 0.000 1.164 574 A HN 0.814 nan 8.150 nan 0.000 0.498 575 A N 4.101 127.088 122.820 0.278 0.000 2.587 575 A HA 0.387 4.708 4.320 0.001 0.000 0.233 575 A C -0.972 176.696 177.584 0.140 0.000 1.049 575 A CA -0.273 51.923 52.037 0.265 0.000 0.754 575 A CB -0.218 18.887 19.000 0.175 0.000 0.977 575 A HN 0.663 nan 8.150 nan 0.000 0.509 576 P HA -0.099 nan 4.420 nan 0.000 0.220 576 P C 1.315 178.528 177.300 -0.145 0.000 1.148 576 P CA 1.793 64.830 63.100 -0.105 0.000 0.803 576 P CB -0.021 31.610 31.700 -0.115 0.000 0.782 577 G N -2.057 106.650 108.800 -0.154 0.000 2.813 577 G HA2 -0.174 3.786 3.960 0.001 0.000 0.209 577 G HA3 -0.174 3.786 3.960 0.001 0.000 0.209 577 G C 0.176 174.746 174.900 -0.550 0.000 1.150 577 G CA -0.005 44.875 45.100 -0.367 0.000 0.785 577 G HN 0.189 nan 8.290 nan 0.000 0.535 578 Y N 2.135 122.191 120.300 -0.407 0.000 2.714 578 Y HA 0.401 4.951 4.550 0.001 0.000 0.333 578 Y C 0.584 176.348 175.900 -0.227 0.000 1.220 578 Y CA -2.539 55.377 58.100 -0.306 0.000 1.513 578 Y CB -0.498 37.847 38.460 -0.192 0.000 1.435 578 Y HN 0.210 nan 8.280 nan 0.000 0.489 579 Y N 1.947 122.366 120.300 0.198 0.000 2.224 579 Y HA -0.251 4.300 4.550 0.001 0.000 0.289 579 Y C 2.099 178.016 175.900 0.028 0.000 1.146 579 Y CA 1.214 59.359 58.100 0.076 0.000 1.182 579 Y CB -0.722 37.778 38.460 0.065 0.000 0.983 579 Y HN 0.489 nan 8.280 nan 0.000 0.524 580 L N 0.530 121.876 121.223 0.205 0.000 2.017 580 L HA -0.107 4.234 4.340 0.001 0.000 0.208 580 L C 2.369 179.103 176.870 -0.226 0.000 1.073 580 L CA 1.960 56.824 54.840 0.039 0.000 0.745 580 L CB -1.242 40.893 42.059 0.126 0.000 0.894 580 L HN 0.128 nan 8.230 nan 0.000 0.432 581 A N -0.556 121.878 122.820 -0.644 0.000 1.908 581 A HA -0.258 4.062 4.320 0.001 0.000 0.218 581 A C 2.346 179.766 177.584 -0.273 0.000 1.181 581 A CA 2.117 53.744 52.037 -0.683 0.000 0.627 581 A CB -0.561 17.774 19.000 -1.109 0.000 0.818 581 A HN 0.550 nan 8.150 nan 0.000 0.445 582 K N -0.572 119.739 120.400 -0.149 0.000 2.155 582 K HA -0.087 4.234 4.320 0.001 0.000 0.203 582 K C 1.949 178.574 176.600 0.041 0.000 1.052 582 K CA 1.056 57.329 56.287 -0.024 0.000 0.948 582 K CB -0.207 32.304 32.500 0.017 0.000 0.728 582 K HN 0.598 nan 8.250 nan 0.000 0.448 583 N N 1.053 119.791 118.700 0.063 0.000 2.270 583 N HA -0.100 4.640 4.740 0.001 0.000 0.181 583 N C 1.742 177.322 175.510 0.115 0.000 1.016 583 N CA 0.671 53.828 53.050 0.179 0.000 0.870 583 N CB 0.129 38.721 38.487 0.176 0.000 0.979 583 N HN 0.112 nan 8.380 nan 0.000 0.431 584 I N 1.102 121.645 120.570 -0.045 0.000 2.202 584 I HA -0.237 3.934 4.170 0.001 0.000 0.242 584 I C 2.192 178.243 176.117 -0.108 0.000 1.091 584 I CA 0.728 61.949 61.300 -0.132 0.000 1.368 584 I CB -0.130 37.727 38.000 -0.238 0.000 1.058 584 I HN 0.116 nan 8.210 nan 0.000 0.410 585 I N 0.097 120.648 120.570 -0.033 0.000 2.145 585 I HA -0.371 3.800 4.170 0.001 0.000 0.244 585 I C 2.532 178.613 176.117 -0.061 0.000 1.075 585 I CA 1.591 62.889 61.300 -0.003 0.000 1.332 585 I CB -0.485 37.500 38.000 -0.025 0.000 1.033 585 I HN 0.210 nan 8.210 nan 0.000 0.410 586 F N 1.946 121.811 119.950 -0.141 0.000 2.069 586 F HA -0.255 4.273 4.527 0.001 0.000 0.298 586 F C 2.501 178.237 175.800 -0.107 0.000 1.113 586 F CA 1.347 59.305 58.000 -0.069 0.000 1.214 586 F CB -0.909 38.142 39.000 0.086 0.000 0.978 586 F HN 0.037 nan 8.300 nan 0.000 0.474 587 A N 0.798 123.417 122.820 -0.335 0.000 1.892 587 A HA -0.208 4.113 4.320 0.001 0.000 0.218 587 A C 2.419 179.612 177.584 -0.651 0.000 1.188 587 A CA 2.228 53.695 52.037 -0.950 0.000 0.631 587 A CB -1.332 17.101 19.000 -0.945 0.000 0.822 587 A HN 0.487 nan 8.150 nan 0.000 0.447 588 I N -0.115 120.189 120.570 -0.443 0.000 2.163 588 I HA -0.282 3.889 4.170 0.001 0.000 0.243 588 I C 2.242 178.167 176.117 -0.321 0.000 1.085 588 I CA 1.390 62.431 61.300 -0.432 0.000 1.347 588 I CB -0.458 37.221 38.000 -0.535 0.000 1.044 588 I HN 0.312 nan 8.210 nan 0.000 0.408 589 N N 0.635 119.178 118.700 -0.261 0.000 2.188 589 N HA -0.137 4.604 4.740 0.001 0.000 0.184 589 N C 1.806 177.214 175.510 -0.170 0.000 1.018 589 N CA 1.075 53.989 53.050 -0.227 0.000 0.858 589 N CB -0.122 38.166 38.487 -0.332 0.000 0.989 589 N HN 0.220 nan 8.380 nan 0.000 0.426 590 K N 0.686 120.963 120.400 -0.206 0.000 2.103 590 K HA 0.069 4.390 4.320 0.001 0.000 0.204 590 K C 2.091 178.607 176.600 -0.140 0.000 1.052 590 K CA 0.294 56.507 56.287 -0.124 0.000 0.945 590 K CB -0.705 31.727 32.500 -0.112 0.000 0.722 590 K HN 0.006 nan 8.250 nan 0.000 0.443 591 V N 1.690 121.374 119.914 -0.382 0.000 2.295 591 V HA -0.232 3.889 4.120 0.001 0.000 0.246 591 V C 2.435 178.342 176.094 -0.313 0.000 1.049 591 V CA 1.946 63.898 62.300 -0.579 0.000 1.024 591 V CB -0.809 30.537 31.823 -0.796 0.000 0.648 591 V HN 0.263 nan 8.190 nan 0.000 0.447 592 A N -0.182 122.495 122.820 -0.238 0.000 1.908 592 A HA -0.291 4.030 4.320 0.001 0.000 0.218 592 A C 2.007 179.531 177.584 -0.101 0.000 1.181 592 A CA 2.155 54.102 52.037 -0.150 0.000 0.627 592 A CB -0.683 18.267 19.000 -0.083 0.000 0.818 592 A HN 0.541 nan 8.150 nan 0.000 0.445 593 D N -0.446 119.916 120.400 -0.063 0.000 2.149 593 D HA -0.100 4.541 4.640 0.001 0.000 0.198 593 D C 2.072 178.372 176.300 -0.001 0.000 0.990 593 D CA 1.408 55.398 54.000 -0.017 0.000 0.839 593 D CB -0.286 40.521 40.800 0.012 0.000 0.948 593 D HN 0.244 nan 8.370 nan 0.000 0.460 594 V N 1.016 120.949 119.914 0.031 0.000 2.283 594 V HA -0.176 3.945 4.120 0.001 0.000 0.243 594 V C 2.563 178.625 176.094 -0.053 0.000 1.039 594 V CA 0.964 63.312 62.300 0.080 0.000 1.016 594 V CB -0.300 31.706 31.823 0.304 0.000 0.650 594 V HN 0.156 nan 8.190 nan 0.000 0.449 595 I N 0.802 121.223 120.570 -0.249 0.000 2.208 595 I HA -0.260 3.911 4.170 0.001 0.000 0.245 595 I C 2.222 178.198 176.117 -0.234 0.000 1.097 595 I CA 1.551 62.542 61.300 -0.514 0.000 1.363 595 I CB -0.474 37.159 38.000 -0.612 0.000 1.051 595 I HN 0.370 nan 8.210 nan 0.000 0.413 596 N N 0.678 119.297 118.700 -0.134 0.000 2.396 596 N HA -0.084 4.657 4.740 0.001 0.000 0.180 596 N C 1.024 176.511 175.510 -0.038 0.000 1.028 596 N CA 0.901 53.907 53.050 -0.072 0.000 0.893 596 N CB -0.243 38.217 38.487 -0.044 0.000 0.967 596 N HN 0.408 nan 8.380 nan 0.000 0.440 597 N N 0.411 119.095 118.700 -0.027 0.000 2.204 597 N HA -0.031 4.709 4.740 0.001 0.000 0.219 597 N C -0.647 174.873 175.510 0.017 0.000 1.151 597 N CA -0.026 53.024 53.050 0.000 0.000 0.867 597 N CB 0.729 39.222 38.487 0.010 0.000 1.043 597 N HN 0.126 nan 8.380 nan 0.000 0.516 598 D N 2.405 122.816 120.400 0.018 0.000 2.365 598 D HA 0.119 4.759 4.640 0.001 0.000 0.237 598 D C -1.334 174.998 176.300 0.054 0.000 1.190 598 D CA -1.943 52.096 54.000 0.065 0.000 0.867 598 D CB 1.704 42.587 40.800 0.138 0.000 1.050 598 D HN 0.045 nan 8.370 nan 0.000 0.491 599 P HA -0.170 nan 4.420 nan 0.000 0.218 599 P C 1.661 178.986 177.300 0.041 0.000 1.148 599 P CA 0.176 63.297 63.100 0.035 0.000 0.822 599 P CB 0.504 32.221 31.700 0.028 0.000 0.784 600 L N -0.783 120.475 121.223 0.058 0.000 2.191 600 L HA -0.109 4.232 4.340 0.001 0.000 0.212 600 L C 2.485 179.398 176.870 0.072 0.000 1.103 600 L CA 1.435 56.312 54.840 0.062 0.000 0.769 600 L CB -1.295 40.809 42.059 0.074 0.000 0.908 600 L HN -0.146 nan 8.230 nan 0.000 0.438 601 V N -1.424 118.542 119.914 0.086 0.000 2.326 601 V HA 0.272 4.392 4.120 0.001 0.000 0.238 601 V C 1.969 178.084 176.094 0.034 0.000 1.038 601 V CA 0.976 63.319 62.300 0.071 0.000 1.032 601 V CB -1.055 30.800 31.823 0.053 0.000 0.675 601 V HN 0.538 nan 8.190 nan 0.000 0.467 602 G N 0.675 109.488 108.800 0.022 0.000 2.622 602 G HA2 -0.379 3.581 3.960 0.001 0.000 0.307 602 G HA3 -0.379 3.581 3.960 0.001 0.000 0.307 602 G C 0.434 175.338 174.900 0.006 0.000 1.226 602 G CA 0.652 45.760 45.100 0.013 0.000 0.997 602 G HN 0.411 nan 8.290 nan 0.000 0.551 603 D N 0.984 121.390 120.400 0.010 0.000 2.328 603 D HA 0.162 4.803 4.640 0.001 0.000 0.226 603 D C 2.198 178.501 176.300 0.005 0.000 1.066 603 D CA 0.388 54.393 54.000 0.008 0.000 0.861 603 D CB 0.146 40.954 40.800 0.013 0.000 0.912 603 D HN 0.502 nan 8.370 nan 0.000 0.521 604 K N -0.415 119.990 120.400 0.008 0.000 2.228 604 K HA 0.030 4.351 4.320 0.001 0.000 0.202 604 K C 0.186 176.791 176.600 0.010 0.000 1.051 604 K CA 0.409 56.702 56.287 0.009 0.000 0.960 604 K CB 0.707 33.221 32.500 0.023 0.000 0.743 604 K HN -0.033 nan 8.250 nan 0.000 0.458 605 L N 0.535 121.762 121.223 0.007 0.000 2.676 605 L HA 0.273 4.614 4.340 0.001 0.000 0.262 605 L C -1.943 174.919 176.870 -0.015 0.000 0.932 605 L CA -0.372 54.478 54.840 0.018 0.000 0.932 605 L CB 1.572 43.639 42.059 0.014 0.000 1.355 605 L HN -0.250 nan 8.230 nan 0.000 0.421 606 K N 3.538 123.943 120.400 0.009 0.000 2.395 606 K HA 0.845 5.166 4.320 0.001 0.000 0.247 606 K C -1.573 175.053 176.600 0.044 0.000 0.973 606 K CA -0.813 55.466 56.287 -0.013 0.000 0.828 606 K CB 2.916 35.396 32.500 -0.033 0.000 1.272 606 K HN 0.319 nan 8.250 nan 0.000 0.439 607 V N 1.724 121.653 119.914 0.025 0.000 2.447 607 V HA 0.281 4.402 4.120 0.001 0.000 0.292 607 V C -0.771 175.379 176.094 0.093 0.000 1.021 607 V CA -0.929 61.428 62.300 0.096 0.000 0.850 607 V CB 1.840 33.693 31.823 0.050 0.000 1.005 607 V HN 0.418 nan 8.190 nan 0.000 0.426 608 V N 5.599 125.581 119.914 0.113 0.000 2.350 608 V HA 0.426 4.547 4.120 0.001 0.000 0.285 608 V C -0.621 175.629 176.094 0.260 0.000 1.014 608 V CA -0.465 61.910 62.300 0.125 0.000 0.831 608 V CB 1.567 33.409 31.823 0.032 0.000 1.000 608 V HN 0.687 nan 8.190 nan 0.000 0.433 609 F N 6.081 126.121 119.950 0.148 0.000 2.334 609 F HA 0.494 5.022 4.527 0.001 0.000 0.365 609 F C 0.153 176.135 175.800 0.305 0.000 1.124 609 F CA -1.260 56.865 58.000 0.209 0.000 1.166 609 F CB 0.602 39.585 39.000 -0.028 0.000 1.355 609 F HN 0.317 nan 8.300 nan 0.000 0.532 610 L N 8.444 130.032 121.223 0.608 0.000 2.433 610 L HA 0.214 4.555 4.340 0.001 0.000 0.275 610 L C -1.819 175.353 176.870 0.502 0.000 1.128 610 L CA -1.718 53.384 54.840 0.436 0.000 0.875 610 L CB 0.453 42.714 42.059 0.338 0.000 1.171 610 L HN 0.396 nan 8.230 nan 0.000 0.463 611 P HA 0.008 nan 4.420 nan 0.000 0.271 611 P C -0.324 176.985 177.300 0.016 0.000 1.216 611 P CA 0.021 63.050 63.100 -0.118 0.000 0.776 611 P CB 0.875 32.316 31.700 -0.431 0.000 0.881 612 D N 0.078 120.478 120.400 -0.000 0.000 2.767 612 D HA -0.226 4.415 4.640 0.001 0.000 0.239 612 D C -0.762 175.616 176.300 0.130 0.000 1.103 612 D CA 0.413 54.431 54.000 0.030 0.000 0.710 612 D CB -2.136 38.653 40.800 -0.018 0.000 1.084 612 D HN 0.348 nan 8.370 nan 0.000 0.435 613 Y N 0.810 121.170 120.300 0.101 0.000 2.810 613 Y HA 0.225 4.776 4.550 0.001 0.000 0.332 613 Y C 0.915 176.849 175.900 0.057 0.000 1.243 613 Y CA 0.429 58.603 58.100 0.123 0.000 1.537 613 Y CB 0.087 38.643 38.460 0.160 0.000 1.265 613 Y HN 0.457 nan 8.280 nan 0.000 0.572 614 C N 2.905 121.899 119.300 -0.511 0.000 3.284 614 C HA 0.424 4.885 4.460 0.001 0.000 0.348 614 C C 0.945 175.686 174.990 -0.414 0.000 1.448 614 C CA -0.505 58.276 59.018 -0.394 0.000 1.223 614 C CB 0.490 28.128 27.740 -0.170 0.000 1.588 614 C HN 0.629 nan 8.230 nan 0.000 0.451 615 V N 1.488 121.273 119.914 -0.215 0.000 2.287 615 V HA -0.162 3.959 4.120 0.001 0.000 0.248 615 V C 2.665 178.722 176.094 -0.062 0.000 1.053 615 V CA 3.032 65.293 62.300 -0.066 0.000 1.027 615 V CB -0.939 30.860 31.823 -0.041 0.000 0.646 615 V HN 0.963 nan 8.190 nan 0.000 0.447 616 S N 0.011 115.656 115.700 -0.091 0.000 2.370 616 S HA -0.192 4.279 4.470 0.001 0.000 0.226 616 S C 2.211 176.754 174.600 -0.095 0.000 1.033 616 S CA 1.456 59.605 58.200 -0.086 0.000 1.011 616 S CB -0.497 62.670 63.200 -0.054 0.000 0.852 616 S HN 0.667 nan 8.310 nan 0.000 0.457 617 A N 1.611 124.417 122.820 -0.024 0.000 1.877 617 A HA 0.089 4.410 4.320 0.001 0.000 0.216 617 A C 2.379 180.027 177.584 0.106 0.000 1.186 617 A CA 1.734 53.811 52.037 0.068 0.000 0.620 617 A CB -1.168 18.012 19.000 0.299 0.000 0.822 617 A HN 0.524 nan 8.150 nan 0.000 0.443 618 A N -0.186 122.718 122.820 0.140 0.000 1.940 618 A HA -0.203 4.118 4.320 0.001 0.000 0.219 618 A C 1.858 179.626 177.584 0.306 0.000 1.176 618 A CA 1.709 53.932 52.037 0.309 0.000 0.631 618 A CB -0.566 18.625 19.000 0.318 0.000 0.814 618 A HN 0.661 nan 8.150 nan 0.000 0.446 619 E N -0.459 119.855 120.200 0.189 0.000 2.268 619 E HA -0.143 4.207 4.350 0.001 0.000 0.195 619 E C 1.725 178.329 176.600 0.006 0.000 0.995 619 E CA 1.002 57.458 56.400 0.094 0.000 0.836 619 E CB -0.003 29.639 29.700 -0.098 0.000 0.763 619 E HN 0.554 nan 8.360 nan 0.000 0.491 620 K N 0.008 120.355 120.400 -0.089 0.000 2.244 620 K HA 0.070 4.391 4.320 0.001 0.000 0.200 620 K C 2.140 178.735 176.600 -0.008 0.000 1.052 620 K CA 0.248 56.439 56.287 -0.160 0.000 0.980 620 K CB 0.184 32.356 32.500 -0.546 0.000 0.838 620 K HN 0.110 nan 8.250 nan 0.000 0.481 621 L N 0.974 122.239 121.223 0.070 0.000 2.072 621 L HA -0.069 4.272 4.340 0.001 0.000 0.205 621 L C 2.377 179.322 176.870 0.125 0.000 1.079 621 L CA 0.984 55.903 54.840 0.132 0.000 0.752 621 L CB -0.313 41.848 42.059 0.170 0.000 0.906 621 L HN 0.050 nan 8.230 nan 0.000 0.436 622 I N -0.190 120.460 120.570 0.135 0.000 2.202 622 I HA -0.167 4.003 4.170 0.001 0.000 0.242 622 I C -0.424 175.750 176.117 0.095 0.000 1.091 622 I CA 1.182 62.549 61.300 0.113 0.000 1.368 622 I CB -1.098 36.983 38.000 0.135 0.000 1.058 622 I HN 0.185 nan 8.210 nan 0.000 0.410 623 P HA -0.113 nan 4.420 nan 0.000 0.222 623 P C 0.835 178.157 177.300 0.035 0.000 1.147 623 P CA 1.164 64.291 63.100 0.046 0.000 0.790 623 P CB 0.040 31.756 31.700 0.027 0.000 0.780 624 A N -1.273 121.595 122.820 0.081 0.000 2.308 624 A HA 0.504 4.825 4.320 0.001 0.000 0.217 624 A C 1.117 178.794 177.584 0.155 0.000 1.216 624 A CA 0.012 52.114 52.037 0.109 0.000 0.864 624 A CB -0.622 18.512 19.000 0.224 0.000 0.902 624 A HN 0.186 nan 8.150 nan 0.000 0.499 625 A N -0.048 122.853 122.820 0.136 0.000 2.388 625 A HA 0.458 4.779 4.320 0.001 0.000 0.257 625 A C 0.393 178.076 177.584 0.164 0.000 1.095 625 A CA -0.079 52.047 52.037 0.149 0.000 0.791 625 A CB 0.316 19.374 19.000 0.097 0.000 1.029 625 A HN 0.277 nan 8.150 nan 0.000 0.489 626 D N 0.321 120.835 120.400 0.189 0.000 2.431 626 D HA 0.128 4.769 4.640 0.001 0.000 0.235 626 D C 0.113 176.646 176.300 0.389 0.000 0.980 626 D CA 0.931 55.135 54.000 0.340 0.000 0.912 626 D CB 0.235 41.158 40.800 0.206 0.000 1.056 626 D HN 0.348 nan 8.370 nan 0.000 0.494 627 I N 1.109 121.793 120.570 0.191 0.000 2.378 627 I HA 0.140 4.311 4.170 0.001 0.000 0.291 627 I C 0.016 176.172 176.117 0.065 0.000 0.992 627 I CA -0.543 60.841 61.300 0.140 0.000 1.154 627 I CB 1.619 39.639 38.000 0.033 0.000 1.315 627 I HN -0.238 nan 8.210 nan 0.000 0.448 628 S N 6.601 122.347 115.700 0.077 0.000 2.404 628 S HA 0.263 4.734 4.470 0.001 0.000 0.309 628 S C -0.074 174.555 174.600 0.048 0.000 1.076 628 S CA -0.584 57.636 58.200 0.034 0.000 1.095 628 S CB 0.107 63.320 63.200 0.021 0.000 0.972 628 S HN 0.388 nan 8.310 nan 0.000 0.484 629 E N 4.088 124.300 120.200 0.020 0.000 2.070 629 E HA 0.153 4.504 4.350 0.001 0.000 0.282 629 E C -0.368 176.246 176.600 0.023 0.000 1.104 629 E CA -0.143 56.288 56.400 0.052 0.000 0.876 629 E CB 0.714 30.427 29.700 0.021 0.000 1.055 629 E HN 0.617 nan 8.360 nan 0.000 0.401 630 Q N 2.778 122.613 119.800 0.059 0.000 3.122 630 Q HA 0.250 4.591 4.340 0.001 0.000 0.282 630 Q C 0.643 176.659 176.000 0.025 0.000 0.947 630 Q CA -0.119 55.694 55.803 0.017 0.000 0.812 630 Q CB 0.172 28.907 28.738 -0.005 0.000 1.333 630 Q HN 0.602 nan 8.270 nan 0.000 0.430 631 I N -1.932 118.645 120.570 0.012 0.000 3.762 631 I HA 0.267 4.438 4.170 0.001 0.000 0.333 631 I C 0.422 176.516 176.117 -0.039 0.000 1.566 631 I CA -0.641 60.663 61.300 0.006 0.000 1.129 631 I CB 0.507 38.486 38.000 -0.035 0.000 1.218 631 I HN -0.014 nan 8.210 nan 0.000 0.456 632 S N 0.395 116.082 115.700 -0.021 0.000 2.573 632 S HA 0.173 4.643 4.470 0.001 0.000 0.277 632 S C 0.568 175.181 174.600 0.021 0.000 1.346 632 S CA -0.279 57.946 58.200 0.042 0.000 1.034 632 S CB 0.280 63.566 63.200 0.143 0.000 0.879 632 S HN 0.363 nan 8.310 nan 0.000 0.528 633 T N 2.877 117.487 114.554 0.094 0.000 2.871 633 T HA 0.352 4.702 4.350 0.001 0.000 0.296 633 T C 0.744 175.457 174.700 0.022 0.000 0.998 633 T CA 0.310 62.454 62.100 0.073 0.000 1.162 633 T CB -0.118 68.876 68.868 0.209 0.000 0.947 633 T HN 0.984 nan 8.240 nan 0.000 0.536 634 A N 2.925 125.722 122.820 -0.038 0.000 2.546 634 A HA 0.482 4.803 4.320 0.001 0.000 0.243 634 A C 1.622 179.181 177.584 -0.042 0.000 1.063 634 A CA 0.260 52.265 52.037 -0.054 0.000 0.757 634 A CB -0.731 18.229 19.000 -0.068 0.000 0.991 634 A HN 1.601 nan 8.150 nan 0.000 0.503 635 G N 1.911 110.685 108.800 -0.042 0.000 2.195 635 G HA2 -0.190 3.771 3.960 0.001 0.000 0.224 635 G HA3 -0.190 3.771 3.960 0.001 0.000 0.224 635 G C 0.857 175.717 174.900 -0.067 0.000 0.990 635 G CA 0.542 45.615 45.100 -0.046 0.000 0.639 635 G HN 0.659 nan 8.290 nan 0.000 0.514 636 K N 0.025 120.369 120.400 -0.094 0.000 2.350 636 K HA 0.218 4.538 4.320 0.001 0.000 0.196 636 K C 0.689 177.010 176.600 -0.465 0.000 1.084 636 K CA 0.272 56.398 56.287 -0.269 0.000 0.967 636 K CB 0.409 32.774 32.500 -0.224 0.000 0.950 636 K HN 0.373 nan 8.250 nan 0.000 0.512 637 E N 1.522 121.629 120.200 -0.156 0.000 2.129 637 E HA 0.244 4.595 4.350 0.001 0.000 0.283 637 E C 0.670 177.201 176.600 -0.116 0.000 1.080 637 E CA -0.089 56.295 56.400 -0.026 0.000 0.867 637 E CB 1.115 30.884 29.700 0.115 0.000 1.056 637 E HN 0.177 nan 8.360 nan 0.000 0.404 638 A N 3.437 126.120 122.820 -0.229 0.000 1.883 638 A HA -0.166 4.155 4.320 0.001 0.000 0.217 638 A C 1.951 179.402 177.584 -0.222 0.000 1.186 638 A CA 2.087 53.859 52.037 -0.441 0.000 0.624 638 A CB -0.234 18.222 19.000 -0.907 0.000 0.822 638 A HN 0.612 nan 8.150 nan 0.000 0.444 639 S N -3.683 111.946 115.700 -0.119 0.000 4.198 639 S HA 0.463 4.934 4.470 0.001 0.000 0.202 639 S C 0.658 175.243 174.600 -0.026 0.000 1.124 639 S CA 1.470 59.650 58.200 -0.034 0.000 1.050 639 S CB -0.027 63.177 63.200 0.007 0.000 1.401 639 S HN 2.255 nan 8.310 nan 0.000 0.589 640 G N 0.234 109.021 108.800 -0.022 0.000 2.719 640 G HA2 0.006 3.966 3.960 0.001 0.000 0.686 640 G HA3 0.006 3.966 3.960 0.001 0.000 0.686 640 G C 0.218 175.085 174.900 -0.055 0.000 1.201 640 G CA 0.454 45.532 45.100 -0.036 0.000 0.768 640 G HN 1.317 nan 8.290 nan 0.000 0.629 641 T N -1.764 112.739 114.554 -0.084 0.000 3.048 641 T HA 0.368 4.718 4.350 0.001 0.000 0.254 641 T C 2.432 177.009 174.700 -0.206 0.000 0.942 641 T CA 1.285 63.310 62.100 -0.124 0.000 0.931 641 T CB 0.175 68.974 68.868 -0.114 0.000 1.220 641 T HN 1.901 nan 8.240 nan 0.000 0.503 642 G N 3.453 112.138 108.800 -0.192 0.000 2.469 642 G HA2 -0.316 3.644 3.960 0.001 0.000 0.220 642 G HA3 -0.316 3.644 3.960 0.001 0.000 0.220 642 G C 1.554 176.341 174.900 -0.188 0.000 1.136 642 G CA 1.480 46.451 45.100 -0.216 0.000 0.759 642 G HN 0.697 nan 8.290 nan 0.000 0.562 643 N N 1.251 119.855 118.700 -0.160 0.000 2.060 643 N HA -0.215 4.525 4.740 0.001 0.000 0.195 643 N C 2.038 177.416 175.510 -0.221 0.000 1.028 643 N CA 2.234 55.185 53.050 -0.166 0.000 0.861 643 N CB -0.803 37.589 38.487 -0.160 0.000 1.029 643 N HN 0.443 nan 8.380 nan 0.000 0.428 644 M N 0.137 119.570 119.600 -0.278 0.000 2.132 644 M HA 0.001 4.482 4.480 0.001 0.000 0.263 644 M C 2.066 178.268 176.300 -0.164 0.000 1.065 644 M CA 1.503 56.623 55.300 -0.300 0.000 1.122 644 M CB -0.254 32.197 32.600 -0.249 0.000 1.365 644 M HN 0.105 nan 8.290 nan 0.000 0.411 645 K N 0.670 120.945 120.400 -0.209 0.000 2.057 645 K HA -0.090 4.231 4.320 0.001 0.000 0.207 645 K C 1.904 178.451 176.600 -0.088 0.000 1.049 645 K CA 1.202 57.373 56.287 -0.193 0.000 0.931 645 K CB -0.321 31.899 32.500 -0.467 0.000 0.714 645 K HN 0.272 nan 8.250 nan 0.000 0.440 646 L N 0.476 121.637 121.223 -0.104 0.000 2.072 646 L HA -0.146 4.195 4.340 0.001 0.000 0.205 646 L C 2.587 179.447 176.870 -0.017 0.000 1.079 646 L CA 1.032 55.846 54.840 -0.043 0.000 0.752 646 L CB -0.511 41.521 42.059 -0.046 0.000 0.906 646 L HN 0.210 nan 8.230 nan 0.000 0.436 647 A N 0.251 123.040 122.820 -0.052 0.000 1.865 647 A HA -0.219 4.102 4.320 0.001 0.000 0.217 647 A C 2.218 179.811 177.584 0.016 0.000 1.191 647 A CA 1.677 53.693 52.037 -0.035 0.000 0.623 647 A CB -0.949 17.992 19.000 -0.099 0.000 0.826 647 A HN 0.349 nan 8.150 nan 0.000 0.444 648 L N -0.116 121.121 121.223 0.023 0.000 2.129 648 L HA -0.199 4.142 4.340 0.001 0.000 0.212 648 L C 1.658 178.568 176.870 0.068 0.000 1.087 648 L CA 1.163 56.041 54.840 0.062 0.000 0.757 648 L CB -0.456 41.653 42.059 0.085 0.000 0.896 648 L HN 0.431 nan 8.230 nan 0.000 0.434 649 N N -0.237 118.496 118.700 0.056 0.000 2.336 649 N HA 0.049 4.789 4.740 0.001 0.000 0.189 649 N C 1.125 176.661 175.510 0.044 0.000 1.113 649 N CA 0.956 54.028 53.050 0.037 0.000 0.858 649 N CB 0.938 39.451 38.487 0.044 0.000 0.970 649 N HN 0.414 nan 8.380 nan 0.000 0.471 650 G N 0.210 109.079 108.800 0.115 0.000 2.131 650 G HA2 -0.179 3.782 3.960 0.001 0.000 0.201 650 G HA3 -0.179 3.782 3.960 0.001 0.000 0.201 650 G C 0.073 175.075 174.900 0.170 0.000 1.000 650 G CA 0.027 45.254 45.100 0.211 0.000 0.680 650 G HN 0.516 nan 8.290 nan 0.000 0.514 651 A N -0.108 122.782 122.820 0.116 0.000 2.302 651 A HA 0.833 5.153 4.320 0.001 0.000 0.285 651 A C 0.483 178.100 177.584 0.056 0.000 1.105 651 A CA -0.330 51.787 52.037 0.134 0.000 0.816 651 A CB 0.641 19.706 19.000 0.108 0.000 1.067 651 A HN 0.799 nan 8.150 nan 0.000 0.489 652 L N 1.200 122.453 121.223 0.050 0.000 2.325 652 L HA 0.383 4.724 4.340 0.001 0.000 0.279 652 L C 0.197 177.144 176.870 0.129 0.000 1.054 652 L CA -0.454 54.379 54.840 -0.011 0.000 0.804 652 L CB 1.621 43.578 42.059 -0.170 0.000 1.200 652 L HN 0.664 nan 8.230 nan 0.000 0.436 653 T N 2.146 116.766 114.554 0.110 0.000 2.806 653 T HA 0.327 4.678 4.350 0.001 0.000 0.290 653 T C -0.051 174.816 174.700 0.278 0.000 0.966 653 T CA -0.344 61.836 62.100 0.134 0.000 1.060 653 T CB 1.462 70.357 68.868 0.045 0.000 0.927 653 T HN 0.199 nan 8.240 nan 0.000 0.485 654 V N 3.525 123.600 119.914 0.269 0.000 2.333 654 V HA 0.768 4.889 4.120 0.001 0.000 0.274 654 V C 0.637 176.972 176.094 0.400 0.000 1.028 654 V CA -0.297 62.218 62.300 0.358 0.000 0.851 654 V CB 0.940 32.902 31.823 0.232 0.000 1.000 654 V HN 1.076 nan 8.190 nan 0.000 0.456 655 G N 2.694 111.750 108.800 0.427 0.000 2.698 655 G HA2 0.626 4.586 3.960 0.001 0.000 0.293 655 G HA3 0.626 4.586 3.960 0.001 0.000 0.293 655 G C -0.502 174.253 174.900 -0.241 0.000 1.437 655 G CA -0.218 44.974 45.100 0.152 0.000 0.852 655 G HN 0.667 nan 8.290 nan 0.000 0.499 656 T N -1.133 113.152 114.554 -0.449 0.000 2.849 656 T HA 0.500 4.851 4.350 0.001 0.000 0.284 656 T C 0.622 175.170 174.700 -0.254 0.000 1.004 656 T CA -0.652 61.120 62.100 -0.548 0.000 1.021 656 T CB 1.262 69.837 68.868 -0.488 0.000 1.013 656 T HN 0.360 nan 8.240 nan 0.000 0.527 657 L N 2.014 123.110 121.223 -0.212 0.000 2.391 657 L HA 0.332 4.673 4.340 0.001 0.000 0.249 657 L C -0.177 176.640 176.870 -0.088 0.000 1.308 657 L CA 0.065 54.834 54.840 -0.117 0.000 1.209 657 L CB -0.729 41.274 42.059 -0.093 0.000 1.401 657 L HN 0.740 nan 8.230 nan 0.000 0.416 658 D N 0.451 120.804 120.400 -0.079 0.000 2.756 658 D HA 0.542 5.183 4.640 0.001 0.000 0.226 658 D C 0.528 176.808 176.300 -0.033 0.000 1.186 658 D CA 0.708 54.676 54.000 -0.053 0.000 0.845 658 D CB 2.127 42.892 40.800 -0.059 0.000 1.610 658 D HN 0.349 nan 8.370 nan 0.000 0.465 659 G N 1.753 110.544 108.800 -0.015 0.000 2.652 659 G HA2 -0.254 3.706 3.960 0.001 0.000 0.318 659 G HA3 -0.254 3.706 3.960 0.001 0.000 0.318 659 G C 1.024 175.930 174.900 0.009 0.000 1.295 659 G CA 1.274 46.371 45.100 -0.004 0.000 0.999 659 G HN 1.122 nan 8.290 nan 0.000 0.548 660 A N -0.235 122.586 122.820 0.002 0.000 2.208 660 A HA 0.167 4.488 4.320 0.001 0.000 0.209 660 A C 2.045 179.605 177.584 -0.041 0.000 1.161 660 A CA 1.626 53.676 52.037 0.022 0.000 0.782 660 A CB -0.371 18.639 19.000 0.017 0.000 0.816 660 A HN 0.575 nan 8.150 nan 0.000 0.477 661 N N 0.271 118.935 118.700 -0.060 0.000 2.205 661 N HA -0.151 4.590 4.740 0.001 0.000 0.186 661 N C 1.762 177.250 175.510 -0.037 0.000 1.015 661 N CA 1.538 54.545 53.050 -0.072 0.000 0.862 661 N CB -0.537 37.910 38.487 -0.068 0.000 0.986 661 N HN 0.475 nan 8.380 nan 0.000 0.429 662 V N 0.190 120.098 119.914 -0.010 0.000 2.453 662 V HA -0.084 4.037 4.120 0.001 0.000 0.247 662 V C 1.683 177.806 176.094 0.048 0.000 1.048 662 V CA 1.556 63.860 62.300 0.006 0.000 1.049 662 V CB -0.250 31.573 31.823 -0.001 0.000 0.672 662 V HN 0.154 nan 8.190 nan 0.000 0.457 663 E N 0.080 120.342 120.200 0.104 0.000 2.152 663 E HA -0.031 4.320 4.350 0.001 0.000 0.192 663 E C 2.140 178.938 176.600 0.331 0.000 0.983 663 E CA 1.510 58.037 56.400 0.211 0.000 0.818 663 E CB -0.151 29.728 29.700 0.299 0.000 0.758 663 E HN 0.680 nan 8.360 nan 0.000 0.467 664 I N 1.081 121.768 120.570 0.195 0.000 2.202 664 I HA -0.263 3.907 4.170 0.001 0.000 0.242 664 I C 2.546 178.697 176.117 0.055 0.000 1.091 664 I CA 0.917 62.253 61.300 0.061 0.000 1.368 664 I CB -0.307 37.553 38.000 -0.233 0.000 1.058 664 I HN 0.091 nan 8.210 nan 0.000 0.410 665 A N 0.365 123.192 122.820 0.011 0.000 1.865 665 A HA -0.308 4.013 4.320 0.001 0.000 0.217 665 A C 2.321 179.908 177.584 0.005 0.000 1.191 665 A CA 2.168 54.199 52.037 -0.011 0.000 0.623 665 A CB -0.820 18.166 19.000 -0.023 0.000 0.826 665 A HN 0.515 nan 8.150 nan 0.000 0.444 666 E N -0.692 119.525 120.200 0.028 0.000 2.118 666 E HA -0.244 4.106 4.350 0.001 0.000 0.195 666 E C 1.770 178.386 176.600 0.026 0.000 0.992 666 E CA 1.336 57.749 56.400 0.022 0.000 0.804 666 E CB -0.014 29.703 29.700 0.029 0.000 0.741 666 E HN 0.340 nan 8.360 nan 0.000 0.458 667 K N 0.108 120.548 120.400 0.067 0.000 2.076 667 K HA -0.066 4.255 4.320 0.001 0.000 0.204 667 K C 2.230 178.849 176.600 0.032 0.000 1.051 667 K CA 1.239 57.564 56.287 0.063 0.000 0.949 667 K CB -0.184 32.403 32.500 0.145 0.000 0.726 667 K HN 0.286 nan 8.250 nan 0.000 0.443 668 V N -2.708 117.219 119.914 0.022 0.000 2.878 668 V HA 0.302 4.423 4.120 0.001 0.000 0.250 668 V C 0.772 176.835 176.094 -0.052 0.000 1.075 668 V CA 0.679 62.968 62.300 -0.017 0.000 1.096 668 V CB -0.577 31.224 31.823 -0.036 0.000 0.724 668 V HN 0.305 nan 8.190 nan 0.000 0.467 669 G N 1.424 110.194 108.800 -0.050 0.000 2.784 669 G HA2 -0.137 3.824 3.960 0.001 0.000 0.686 669 G HA3 -0.137 3.824 3.960 0.001 0.000 0.686 669 G C 0.129 174.974 174.900 -0.091 0.000 1.156 669 G CA 0.171 45.233 45.100 -0.064 0.000 0.757 669 G HN 0.877 nan 8.290 nan 0.000 0.642 670 E N 0.207 120.357 120.200 -0.082 0.000 2.265 670 E HA -0.160 4.191 4.350 0.001 0.000 0.196 670 E C 1.827 178.340 176.600 -0.146 0.000 0.996 670 E CA 1.608 57.949 56.400 -0.097 0.000 0.832 670 E CB -0.037 29.625 29.700 -0.065 0.000 0.756 670 E HN 0.665 nan 8.360 nan 0.000 0.491 671 E N 0.808 120.924 120.200 -0.139 0.000 2.427 671 E HA -0.111 4.240 4.350 0.001 0.000 0.196 671 E C 0.536 176.981 176.600 -0.259 0.000 1.028 671 E CA 0.439 56.737 56.400 -0.168 0.000 0.864 671 E CB -0.135 29.497 29.700 -0.114 0.000 0.813 671 E HN 0.301 nan 8.360 nan 0.000 0.514 672 N N 0.481 119.022 118.700 -0.266 0.000 2.235 672 N HA 0.302 5.043 4.740 0.001 0.000 0.231 672 N C -0.332 174.956 175.510 -0.369 0.000 1.177 672 N CA -0.029 52.837 53.050 -0.307 0.000 0.874 672 N CB 1.536 39.900 38.487 -0.205 0.000 1.097 672 N HN 0.233 nan 8.380 nan 0.000 0.518 673 I N -0.841 119.455 120.570 -0.457 0.000 3.004 673 I HA 0.366 4.537 4.170 0.001 0.000 0.305 673 I C -1.515 174.281 176.117 -0.536 0.000 1.312 673 I CA -0.815 60.251 61.300 -0.390 0.000 0.992 673 I CB 1.868 39.770 38.000 -0.164 0.000 1.282 673 I HN -0.258 nan 8.210 nan 0.000 0.449 674 F N 7.082 127.041 119.950 0.016 0.000 2.371 674 F HA 0.431 4.959 4.527 0.001 0.000 0.343 674 F C -0.144 175.750 175.800 0.157 0.000 1.150 674 F CA -0.575 57.468 58.000 0.073 0.000 1.220 674 F CB 0.475 39.521 39.000 0.076 0.000 1.475 674 F HN 0.028 nan 8.300 nan 0.000 0.521 675 I N 3.676 124.364 120.570 0.196 0.000 2.441 675 I HA 0.257 4.428 4.170 0.001 0.000 0.287 675 I C -0.007 176.242 176.117 0.220 0.000 1.049 675 I CA -0.470 60.916 61.300 0.142 0.000 1.381 675 I CB 0.112 38.122 38.000 0.017 0.000 1.409 675 I HN 0.346 nan 8.210 nan 0.000 0.523 676 F N 2.949 122.927 119.950 0.046 0.000 2.726 676 F HA 0.902 5.429 4.527 0.001 0.000 0.324 676 F C 0.193 175.989 175.800 -0.008 0.000 1.140 676 F CA -0.552 57.465 58.000 0.029 0.000 0.964 676 F CB 0.999 40.039 39.000 0.066 0.000 1.399 676 F HN 0.778 nan 8.300 nan 0.000 0.491 677 G N 0.224 109.052 108.800 0.046 0.000 2.760 677 G HA2 -0.060 3.900 3.960 0.001 0.000 0.246 677 G HA3 -0.060 3.900 3.960 0.001 0.000 0.246 677 G C -1.254 173.525 174.900 -0.200 0.000 1.359 677 G CA -0.554 44.495 45.100 -0.085 0.000 0.861 677 G HN 1.171 nan 8.290 nan 0.000 0.541 678 H N 0.770 119.798 119.070 -0.071 0.000 2.732 678 H HA 0.385 4.941 4.556 0.001 0.000 0.351 678 H C 1.439 176.706 175.328 -0.103 0.000 1.090 678 H CA 0.829 56.833 56.048 -0.073 0.000 1.431 678 H CB 0.649 30.353 29.762 -0.096 0.000 1.447 678 H HN 0.909 nan 8.280 nan 0.000 0.582 679 T N -1.391 113.185 114.554 0.037 0.000 2.766 679 T HA 0.056 4.406 4.350 0.001 0.000 0.295 679 T C 1.803 176.494 174.700 -0.014 0.000 1.024 679 T CA -0.761 61.332 62.100 -0.011 0.000 1.018 679 T CB 0.577 69.440 68.868 -0.008 0.000 1.002 679 T HN 0.289 nan 8.240 nan 0.000 0.532 680 V N 1.675 121.568 119.914 -0.034 0.000 2.324 680 V HA -0.185 3.936 4.120 0.001 0.000 0.250 680 V C 2.762 178.829 176.094 -0.044 0.000 1.060 680 V CA 2.359 64.633 62.300 -0.044 0.000 1.042 680 V CB -1.164 30.633 31.823 -0.043 0.000 0.650 680 V HN 0.906 nan 8.190 nan 0.000 0.450 681 E N -0.258 119.924 120.200 -0.030 0.000 2.106 681 E HA -0.210 4.140 4.350 0.001 0.000 0.192 681 E C 2.304 178.892 176.600 -0.022 0.000 0.984 681 E CA 1.144 57.528 56.400 -0.026 0.000 0.806 681 E CB -0.235 29.456 29.700 -0.015 0.000 0.750 681 E HN 0.671 nan 8.360 nan 0.000 0.458 682 Q N -0.122 119.678 119.800 -0.000 0.000 2.172 682 Q HA -0.062 4.279 4.340 0.001 0.000 0.200 682 Q C 2.218 178.166 176.000 -0.086 0.000 0.964 682 Q CA 0.969 56.780 55.803 0.014 0.000 0.855 682 Q CB 0.128 28.950 28.738 0.140 0.000 0.918 682 Q HN 0.151 nan 8.270 nan 0.000 0.444 683 V N 1.381 121.227 119.914 -0.113 0.000 2.261 683 V HA -0.285 3.836 4.120 0.001 0.000 0.246 683 V C 2.049 178.032 176.094 -0.184 0.000 1.047 683 V CA 1.853 64.025 62.300 -0.215 0.000 1.015 683 V CB -0.432 31.293 31.823 -0.164 0.000 0.642 683 V HN 0.282 nan 8.190 nan 0.000 0.446 684 K N 0.157 120.486 120.400 -0.118 0.000 2.074 684 K HA -0.194 4.127 4.320 0.001 0.000 0.209 684 K C 2.272 178.825 176.600 -0.079 0.000 1.048 684 K CA 1.628 57.858 56.287 -0.095 0.000 0.926 684 K CB -0.456 32.001 32.500 -0.071 0.000 0.713 684 K HN 0.491 nan 8.250 nan 0.000 0.444 685 A N 1.027 123.808 122.820 -0.065 0.000 1.930 685 A HA -0.137 4.183 4.320 0.001 0.000 0.217 685 A C 2.108 179.670 177.584 -0.038 0.000 1.175 685 A CA 1.233 53.248 52.037 -0.036 0.000 0.627 685 A CB -0.455 18.537 19.000 -0.014 0.000 0.815 685 A HN 0.194 nan 8.150 nan 0.000 0.443 686 I N -0.446 120.069 120.570 -0.092 0.000 2.252 686 I HA -0.233 3.937 4.170 0.001 0.000 0.245 686 I C 2.289 178.374 176.117 -0.053 0.000 1.102 686 I CA 1.050 62.294 61.300 -0.093 0.000 1.385 686 I CB -0.121 37.698 38.000 -0.302 0.000 1.064 686 I HN 0.292 nan 8.210 nan 0.000 0.414 687 L N -0.063 121.096 121.223 -0.107 0.000 2.141 687 L HA -0.148 4.192 4.340 0.001 0.000 0.209 687 L C 2.610 179.478 176.870 -0.003 0.000 1.094 687 L CA 1.189 56.003 54.840 -0.044 0.000 0.763 687 L CB -0.636 41.370 42.059 -0.090 0.000 0.908 687 L HN 0.214 nan 8.230 nan 0.000 0.437 688 A N -0.397 122.413 122.820 -0.018 0.000 2.016 688 A HA -0.150 4.171 4.320 0.001 0.000 0.217 688 A C 2.377 179.967 177.584 0.011 0.000 1.162 688 A CA 1.059 53.091 52.037 -0.009 0.000 0.662 688 A CB -0.277 18.711 19.000 -0.019 0.000 0.812 688 A HN 0.256 nan 8.150 nan 0.000 0.450 689 K N -0.091 120.324 120.400 0.025 0.000 2.296 689 K HA 0.100 4.420 4.320 0.001 0.000 0.200 689 K C 0.408 177.045 176.600 0.062 0.000 1.048 689 K CA 1.033 57.346 56.287 0.044 0.000 0.966 689 K CB -0.294 32.239 32.500 0.056 0.000 0.754 689 K HN 0.879 nan 8.250 nan 0.000 0.466 690 G N 1.676 110.524 108.800 0.079 0.000 2.662 690 G HA2 -0.222 3.739 3.960 0.001 0.000 0.558 690 G HA3 -0.222 3.739 3.960 0.001 0.000 0.558 690 G C -1.238 173.762 174.900 0.167 0.000 1.081 690 G CA -0.324 44.833 45.100 0.095 0.000 1.261 690 G HN 0.299 nan 8.290 nan 0.000 0.559 691 Y N 2.409 122.725 120.300 0.026 0.000 2.359 691 Y HA 0.579 5.129 4.550 0.001 0.000 0.334 691 Y C -0.137 175.803 175.900 0.068 0.000 1.058 691 Y CA -1.252 56.874 58.100 0.044 0.000 1.244 691 Y CB 1.730 40.164 38.460 -0.043 0.000 1.187 691 Y HN 0.395 nan 8.280 nan 0.000 0.510 692 D N 9.329 129.622 120.400 -0.178 0.000 2.462 692 D HA 0.301 4.942 4.640 0.001 0.000 0.249 692 D C -2.003 174.073 176.300 -0.372 0.000 1.117 692 D CA -2.568 51.291 54.000 -0.235 0.000 0.900 692 D CB 1.514 42.308 40.800 -0.011 0.000 1.039 692 D HN 0.339 nan 8.370 nan 0.000 0.516 693 P HA -0.164 nan 4.420 nan 0.000 0.216 693 P C 1.507 178.787 177.300 -0.034 0.000 1.150 693 P CA 0.569 63.389 63.100 -0.466 0.000 0.837 693 P CB 0.482 31.967 31.700 -0.358 0.000 0.786 694 V N 1.080 120.972 119.914 -0.035 0.000 2.407 694 V HA -0.209 3.911 4.120 0.001 0.000 0.248 694 V C 2.836 178.968 176.094 0.064 0.000 1.055 694 V CA 1.905 64.219 62.300 0.024 0.000 1.049 694 V CB -1.274 30.553 31.823 0.008 0.000 0.662 694 V HN 0.151 nan 8.190 nan 0.000 0.455 695 K N -1.123 119.319 120.400 0.071 0.000 2.097 695 K HA -0.232 4.089 4.320 0.001 0.000 0.206 695 K C 1.977 178.618 176.600 0.068 0.000 1.049 695 K CA 1.950 58.267 56.287 0.050 0.000 0.933 695 K CB -0.232 32.282 32.500 0.022 0.000 0.717 695 K HN 0.530 nan 8.250 nan 0.000 0.442 696 W N 1.237 122.547 121.300 0.018 0.000 2.388 696 W HA -0.055 4.606 4.660 0.001 0.000 0.294 696 W C 2.464 179.019 176.519 0.061 0.000 1.212 696 W CA 1.284 58.677 57.345 0.080 0.000 1.271 696 W CB -0.188 29.363 29.460 0.152 0.000 1.126 696 W HN 0.137 nan 8.180 nan 0.000 0.535 697 R N 0.821 121.473 120.500 0.254 0.000 2.062 697 R HA -0.162 4.179 4.340 0.001 0.000 0.231 697 R C 1.982 178.329 176.300 0.077 0.000 1.136 697 R CA 1.400 57.575 56.100 0.125 0.000 0.948 697 R CB -0.356 29.983 30.300 0.064 0.000 0.845 697 R HN -0.135 nan 8.270 nan 0.000 0.430 698 K N 1.021 121.456 120.400 0.058 0.000 2.209 698 K HA -0.115 4.206 4.320 0.001 0.000 0.204 698 K C 1.731 178.345 176.600 0.025 0.000 1.048 698 K CA 1.371 57.676 56.287 0.030 0.000 0.940 698 K CB -0.070 32.440 32.500 0.017 0.000 0.729 698 K HN 0.248 nan 8.250 nan 0.000 0.451 699 K N 0.583 120.998 120.400 0.025 0.000 2.444 699 K HA -0.004 4.317 4.320 0.001 0.000 0.193 699 K C -0.064 176.564 176.600 0.045 0.000 1.024 699 K CA 0.076 56.367 56.287 0.007 0.000 1.077 699 K CB 0.404 32.871 32.500 -0.055 0.000 0.833 699 K HN -0.012 nan 8.250 nan 0.000 0.517 700 D N 0.506 120.959 120.400 0.087 0.000 2.462 700 D HA 0.093 4.734 4.640 0.001 0.000 0.245 700 D C 0.326 176.683 176.300 0.095 0.000 1.122 700 D CA -0.153 53.925 54.000 0.130 0.000 0.864 700 D CB 0.996 41.937 40.800 0.235 0.000 1.098 700 D HN -0.248 nan 8.370 nan 0.000 0.541 701 K N 2.063 122.510 120.400 0.079 0.000 2.097 701 K HA -0.022 4.299 4.320 0.001 0.000 0.205 701 K C 1.827 178.462 176.600 0.058 0.000 1.050 701 K CA 0.613 56.932 56.287 0.052 0.000 0.938 701 K CB -0.176 32.348 32.500 0.040 0.000 0.718 701 K HN 0.290 nan 8.250 nan 0.000 0.442 702 V N 1.870 121.847 119.914 0.106 0.000 2.261 702 V HA -0.231 3.890 4.120 0.001 0.000 0.246 702 V C 2.389 178.523 176.094 0.067 0.000 1.047 702 V CA 1.390 63.768 62.300 0.129 0.000 1.015 702 V CB -0.534 31.427 31.823 0.229 0.000 0.642 702 V HN 0.139 nan 8.190 nan 0.000 0.446 703 L N 0.979 122.217 121.223 0.025 0.000 1.989 703 L HA -0.224 4.117 4.340 0.001 0.000 0.211 703 L C 2.143 178.900 176.870 -0.188 0.000 1.071 703 L CA 2.667 57.292 54.840 -0.358 0.000 0.749 703 L CB -1.118 40.726 42.059 -0.358 0.000 0.890 703 L HN 0.470 nan 8.230 nan 0.000 0.431 704 D N -0.861 119.501 120.400 -0.065 0.000 2.144 704 D HA -0.157 4.484 4.640 0.001 0.000 0.199 704 D C 2.042 178.325 176.300 -0.028 0.000 0.984 704 D CA 1.377 55.356 54.000 -0.034 0.000 0.834 704 D CB 0.005 40.804 40.800 -0.002 0.000 0.955 704 D HN 0.473 nan 8.370 nan 0.000 0.465 705 A N -0.014 122.796 122.820 -0.018 0.000 1.929 705 A HA -0.051 4.270 4.320 0.001 0.000 0.216 705 A C 2.481 180.059 177.584 -0.010 0.000 1.176 705 A CA 1.865 53.895 52.037 -0.010 0.000 0.628 705 A CB -0.870 18.129 19.000 -0.002 0.000 0.816 705 A HN 0.296 nan 8.150 nan 0.000 0.444 706 V N -2.071 117.828 119.914 -0.025 0.000 2.548 706 V HA -0.120 4.000 4.120 0.001 0.000 0.249 706 V C 2.233 178.320 176.094 -0.011 0.000 1.055 706 V CA 1.691 63.985 62.300 -0.010 0.000 1.065 706 V CB -0.963 30.847 31.823 -0.022 0.000 0.681 706 V HN 0.412 nan 8.190 nan 0.000 0.462 707 L N -0.253 120.941 121.223 -0.048 0.000 2.093 707 L HA -0.077 4.264 4.340 0.001 0.000 0.208 707 L C 2.848 179.727 176.870 0.015 0.000 1.085 707 L CA 1.797 56.624 54.840 -0.022 0.000 0.755 707 L CB -0.573 41.462 42.059 -0.039 0.000 0.904 707 L HN 0.261 nan 8.230 nan 0.000 0.435 708 K N -0.002 120.401 120.400 0.006 0.000 2.147 708 K HA -0.178 4.142 4.320 0.001 0.000 0.205 708 K C 1.947 178.560 176.600 0.021 0.000 1.049 708 K CA 1.202 57.495 56.287 0.009 0.000 0.936 708 K CB -0.060 32.438 32.500 -0.004 0.000 0.722 708 K HN 0.370 nan 8.250 nan 0.000 0.446 709 E N 0.806 121.031 120.200 0.042 0.000 2.077 709 E HA -0.165 4.186 4.350 0.001 0.000 0.193 709 E C 1.942 178.636 176.600 0.156 0.000 0.989 709 E CA 0.967 57.410 56.400 0.072 0.000 0.800 709 E CB -0.065 29.730 29.700 0.158 0.000 0.746 709 E HN 0.235 nan 8.360 nan 0.000 0.452 710 L N 0.703 122.041 121.223 0.192 0.000 2.217 710 L HA -0.141 4.200 4.340 0.001 0.000 0.211 710 L C 1.974 178.983 176.870 0.232 0.000 1.107 710 L CA 0.974 55.976 54.840 0.269 0.000 0.783 710 L CB -0.134 42.005 42.059 0.133 0.000 0.919 710 L HN 0.081 nan 8.230 nan 0.000 0.442 711 E N -0.633 119.629 120.200 0.104 0.000 2.371 711 E HA -0.097 4.254 4.350 0.001 0.000 0.194 711 E C 2.176 178.761 176.600 -0.024 0.000 1.012 711 E CA 0.928 57.348 56.400 0.034 0.000 0.860 711 E CB 0.145 29.858 29.700 0.021 0.000 0.811 711 E HN 0.462 nan 8.360 nan 0.000 0.502 712 S N -0.693 114.997 115.700 -0.017 0.000 2.461 712 S HA 0.082 4.553 4.470 0.001 0.000 0.228 712 S C 1.774 176.319 174.600 -0.093 0.000 1.005 712 S CA 0.557 58.720 58.200 -0.061 0.000 0.942 712 S CB 0.283 63.444 63.200 -0.066 0.000 0.776 712 S HN 0.339 nan 8.310 nan 0.000 0.514 713 G N 1.657 110.407 108.800 -0.084 0.000 2.175 713 G HA2 -0.327 3.633 3.960 0.001 0.000 0.244 713 G HA3 -0.327 3.633 3.960 0.001 0.000 0.244 713 G C 0.731 175.565 174.900 -0.110 0.000 0.982 713 G CA 0.519 45.551 45.100 -0.113 0.000 0.641 713 G HN 0.552 nan 8.290 nan 0.000 0.527 714 K N -0.628 119.676 120.400 -0.161 0.000 2.089 714 K HA -0.130 4.191 4.320 0.001 0.000 0.210 714 K C 1.667 178.048 176.600 -0.366 0.000 1.048 714 K CA 2.062 58.151 56.287 -0.330 0.000 0.926 714 K CB -0.197 31.956 32.500 -0.578 0.000 0.714 714 K HN 0.542 nan 8.250 nan 0.000 0.448 715 Y N -0.665 119.675 120.300 0.066 0.000 2.458 715 Y HA 0.123 4.674 4.550 0.001 0.000 0.256 715 Y C 0.928 176.865 175.900 0.063 0.000 1.159 715 Y CA 0.049 58.197 58.100 0.080 0.000 1.261 715 Y CB 0.881 39.397 38.460 0.093 0.000 1.119 715 Y HN 0.063 nan 8.280 nan 0.000 0.524 716 S N -1.466 114.275 115.700 0.068 0.000 2.751 716 S HA 0.204 4.674 4.470 0.001 0.000 0.247 716 S C -0.179 174.385 174.600 -0.061 0.000 1.103 716 S CA -0.248 57.908 58.200 -0.075 0.000 1.090 716 S CB -0.245 62.724 63.200 -0.384 0.000 0.928 716 S HN 0.269 nan 8.310 nan 0.000 0.502 717 D N 1.103 121.485 120.400 -0.030 0.000 2.708 717 D HA -0.154 4.487 4.640 0.001 0.000 0.236 717 D C 1.203 177.472 176.300 -0.051 0.000 1.146 717 D CA 1.857 55.839 54.000 -0.030 0.000 0.662 717 D CB -1.493 39.304 40.800 -0.005 0.000 1.059 717 D HN 1.266 nan 8.370 nan 0.000 0.428 718 G N -0.024 108.730 108.800 -0.076 0.000 2.217 718 G HA2 -0.309 3.652 3.960 0.001 0.000 0.246 718 G HA3 -0.309 3.652 3.960 0.001 0.000 0.246 718 G C 0.010 174.839 174.900 -0.118 0.000 0.990 718 G CA 0.272 45.320 45.100 -0.088 0.000 0.627 718 G HN 0.714 nan 8.290 nan 0.000 0.522 719 D N 1.088 121.410 120.400 -0.130 0.000 2.374 719 D HA 0.408 5.049 4.640 0.001 0.000 0.240 719 D C 1.484 177.632 176.300 -0.254 0.000 1.229 719 D CA -0.156 53.747 54.000 -0.161 0.000 0.895 719 D CB 0.415 41.145 40.800 -0.116 0.000 1.046 719 D HN 0.399 nan 8.370 nan 0.000 0.498 720 K N 2.074 122.278 120.400 -0.327 0.000 2.365 720 K HA -0.073 4.247 4.320 0.001 0.000 0.199 720 K C 0.783 177.136 176.600 -0.411 0.000 1.045 720 K CA 0.623 56.680 56.287 -0.383 0.000 0.962 720 K CB 0.236 32.470 32.500 -0.443 0.000 0.759 720 K HN 0.522 nan 8.250 nan 0.000 0.469 721 H N -0.665 118.324 119.070 -0.134 0.000 2.551 721 H HA 0.234 4.791 4.556 0.001 0.000 0.271 721 H C 1.674 176.893 175.328 -0.183 0.000 0.984 721 H CA 0.288 56.261 56.048 -0.124 0.000 1.164 721 H CB 0.289 30.010 29.762 -0.068 0.000 1.437 721 H HN 0.172 nan 8.280 nan 0.000 0.550 722 A N 0.777 123.421 122.820 -0.294 0.000 1.908 722 A HA -0.150 4.171 4.320 0.001 0.000 0.218 722 A C 0.936 178.285 177.584 -0.392 0.000 1.181 722 A CA 1.239 52.999 52.037 -0.460 0.000 0.627 722 A CB -0.564 17.780 19.000 -1.093 0.000 0.818 722 A HN 0.178 nan 8.150 nan 0.000 0.445 723 F N -0.149 119.817 119.950 0.026 0.000 2.772 723 F HA 0.243 4.771 4.527 0.001 0.000 0.302 723 F C 0.987 176.762 175.800 -0.041 0.000 1.136 723 F CA -1.273 56.724 58.000 -0.005 0.000 1.322 723 F CB -0.243 38.716 39.000 -0.068 0.000 0.967 723 F HN 0.069 nan 8.300 nan 0.000 0.513 724 D N 0.656 121.070 120.400 0.023 0.000 2.104 724 D HA -0.191 4.450 4.640 0.001 0.000 0.194 724 D C 2.014 178.205 176.300 -0.182 0.000 0.994 724 D CA 1.517 55.399 54.000 -0.196 0.000 0.830 724 D CB 0.027 40.739 40.800 -0.147 0.000 0.959 724 D HN 0.390 nan 8.370 nan 0.000 0.452 725 Q N -0.281 119.540 119.800 0.035 0.000 2.061 725 Q HA -0.165 4.175 4.340 0.001 0.000 0.204 725 Q C 2.270 178.333 176.000 0.105 0.000 0.984 725 Q CA 1.212 57.081 55.803 0.111 0.000 0.846 725 Q CB -0.170 28.647 28.738 0.131 0.000 0.902 725 Q HN 0.338 nan 8.270 nan 0.000 0.421 726 M N 0.148 119.801 119.600 0.088 0.000 2.099 726 M HA -0.183 4.297 4.480 0.001 0.000 0.262 726 M C 1.621 177.987 176.300 0.109 0.000 1.067 726 M CA 1.234 56.577 55.300 0.071 0.000 1.124 726 M CB 0.071 32.695 32.600 0.041 0.000 1.353 726 M HN 0.182 nan 8.290 nan 0.000 0.410 727 L N 0.219 121.484 121.223 0.069 0.000 2.017 727 L HA -0.231 4.110 4.340 0.001 0.000 0.208 727 L C 2.615 179.545 176.870 0.101 0.000 1.073 727 L CA 1.872 56.744 54.840 0.053 0.000 0.745 727 L CB -2.028 40.027 42.059 -0.006 0.000 0.894 727 L HN 0.388 nan 8.230 nan 0.000 0.432 728 H N -0.750 118.383 119.070 0.105 0.000 2.387 728 H HA -0.089 4.467 4.556 0.001 0.000 0.299 728 H C 2.454 177.838 175.328 0.094 0.000 1.099 728 H CA 1.508 57.608 56.048 0.086 0.000 1.315 728 H CB -0.427 29.381 29.762 0.077 0.000 1.380 728 H HN 0.443 nan 8.280 nan 0.000 0.513 729 S N 0.712 116.556 115.700 0.239 0.000 2.402 729 S HA -0.073 4.398 4.470 0.001 0.000 0.229 729 S C 1.979 176.704 174.600 0.209 0.000 1.021 729 S CA 1.127 59.457 58.200 0.217 0.000 0.974 729 S CB -0.587 62.746 63.200 0.222 0.000 0.800 729 S HN 0.589 nan 8.310 nan 0.000 0.484 730 I N -1.484 119.204 120.570 0.196 0.000 3.956 730 I HA 0.490 4.660 4.170 0.001 0.000 0.333 730 I C 1.073 177.246 176.117 0.093 0.000 1.302 730 I CA -0.240 61.154 61.300 0.158 0.000 1.122 730 I CB -0.400 37.691 38.000 0.153 0.000 1.013 730 I HN 0.295 nan 8.210 nan 0.000 0.405 731 G N 1.003 109.864 108.800 0.103 0.000 2.940 731 G HA2 0.221 4.182 3.960 0.001 0.000 0.164 731 G HA3 0.221 4.182 3.960 0.001 0.000 0.164 731 G C 0.541 175.468 174.900 0.045 0.000 1.326 731 G CA -0.257 44.886 45.100 0.071 0.000 1.020 731 G HN -0.153 nan 8.290 nan 0.000 0.586 732 K N -0.399 120.026 120.400 0.042 0.000 2.057 732 K HA -0.076 4.245 4.320 0.001 0.000 0.207 732 K C 2.774 179.378 176.600 0.005 0.000 1.049 732 K CA 1.359 57.652 56.287 0.009 0.000 0.931 732 K CB -0.421 32.084 32.500 0.009 0.000 0.714 732 K HN 0.400 nan 8.250 nan 0.000 0.440 733 Q N -1.037 118.771 119.800 0.013 0.000 2.030 733 Q HA -0.089 4.252 4.340 0.001 0.000 0.204 733 Q C 2.093 178.100 176.000 0.011 0.000 0.986 733 Q CA 1.971 57.755 55.803 -0.031 0.000 0.843 733 Q CB -0.632 28.026 28.738 -0.132 0.000 0.904 733 Q HN 0.448 nan 8.270 nan 0.000 0.420 734 G N -1.928 106.909 108.800 0.062 0.000 2.595 734 G HA2 0.291 4.252 3.960 0.001 0.000 0.213 734 G HA3 0.291 4.252 3.960 0.001 0.000 0.213 734 G C 0.939 175.875 174.900 0.060 0.000 1.141 734 G CA 0.309 45.458 45.100 0.081 0.000 0.806 734 G HN 0.582 nan 8.290 nan 0.000 0.530 735 G N 0.267 109.090 108.800 0.039 0.000 2.159 735 G HA2 -0.264 3.697 3.960 0.001 0.000 0.256 735 G HA3 -0.264 3.697 3.960 0.001 0.000 0.256 735 G C 0.303 175.233 174.900 0.050 0.000 0.977 735 G CA 0.881 45.987 45.100 0.009 0.000 0.652 735 G HN 1.102 nan 8.290 nan 0.000 0.531 736 D N -0.768 119.694 120.400 0.103 0.000 2.735 736 D HA -0.147 4.494 4.640 0.001 0.000 0.235 736 D C 0.008 176.420 176.300 0.188 0.000 1.175 736 D CA 1.192 55.305 54.000 0.187 0.000 0.683 736 D CB -0.254 40.666 40.800 0.199 0.000 1.008 736 D HN 0.401 nan 8.370 nan 0.000 0.416 737 P HA -0.178 nan 4.420 nan 0.000 0.221 737 P C 0.874 177.915 177.300 -0.431 0.000 1.145 737 P CA 1.236 64.198 63.100 -0.230 0.000 0.795 737 P CB -0.141 31.320 31.700 -0.398 0.000 0.775 738 Y N -0.904 119.457 120.300 0.101 0.000 2.493 738 Y HA 0.292 4.843 4.550 0.001 0.000 0.275 738 Y C 1.433 177.322 175.900 -0.019 0.000 1.183 738 Y CA -0.460 57.678 58.100 0.063 0.000 1.258 738 Y CB -0.310 38.245 38.460 0.158 0.000 1.108 738 Y HN -0.279 nan 8.280 nan 0.000 0.521 739 L N -0.739 120.493 121.223 0.015 0.000 3.717 739 L HA -0.340 4.000 4.340 0.001 0.000 0.411 739 L C 1.077 177.922 176.870 -0.041 0.000 1.233 739 L CA -0.141 54.600 54.840 -0.164 0.000 0.917 739 L CB -2.176 39.648 42.059 -0.392 0.000 1.902 739 L HN 0.153 nan 8.230 nan 0.000 0.894 740 V N -0.592 119.343 119.914 0.035 0.000 2.255 740 V HA -0.347 3.773 4.120 0.001 0.000 0.247 740 V C 2.472 178.613 176.094 0.080 0.000 1.051 740 V CA 2.573 64.874 62.300 0.002 0.000 1.018 740 V CB -0.272 31.477 31.823 -0.123 0.000 0.641 740 V HN 0.488 nan 8.190 nan 0.000 0.445 741 M N 0.104 119.758 119.600 0.089 0.000 2.080 741 M HA -0.161 4.320 4.480 0.001 0.000 0.260 741 M C 2.402 178.757 176.300 0.090 0.000 1.068 741 M CA 2.391 57.770 55.300 0.132 0.000 1.109 741 M CB -1.700 30.991 32.600 0.152 0.000 1.342 741 M HN 0.415 nan 8.290 nan 0.000 0.405 742 A N -0.307 122.354 122.820 -0.265 0.000 2.019 742 A HA -0.150 4.170 4.320 0.001 0.000 0.219 742 A C 1.750 179.301 177.584 -0.056 0.000 1.164 742 A CA 1.767 53.328 52.037 -0.795 0.000 0.644 742 A CB -0.484 17.832 19.000 -1.140 0.000 0.805 742 A HN 0.430 nan 8.150 nan 0.000 0.449 743 D N -2.271 118.196 120.400 0.112 0.000 2.379 743 D HA 0.117 4.758 4.640 0.001 0.000 0.208 743 D C 1.189 177.680 176.300 0.318 0.000 1.065 743 D CA -0.104 54.048 54.000 0.253 0.000 0.848 743 D CB -0.091 40.850 40.800 0.235 0.000 0.949 743 D HN 0.391 nan 8.370 nan 0.000 0.509 744 F N 2.420 122.480 119.950 0.183 0.000 2.046 744 F HA -0.209 4.319 4.527 0.001 0.000 0.297 744 F C 2.182 178.094 175.800 0.187 0.000 1.123 744 F CA 1.866 59.984 58.000 0.197 0.000 1.199 744 F CB -0.292 38.813 39.000 0.175 0.000 0.972 744 F HN -0.035 nan 8.300 nan 0.000 0.474 745 A N 0.444 123.401 122.820 0.228 0.000 1.908 745 A HA -0.126 4.194 4.320 0.001 0.000 0.218 745 A C 2.403 179.968 177.584 -0.033 0.000 1.181 745 A CA 2.132 54.204 52.037 0.058 0.000 0.627 745 A CB -1.670 17.468 19.000 0.230 0.000 0.818 745 A HN 0.571 nan 8.150 nan 0.000 0.445 746 A N -1.729 121.139 122.820 0.081 0.000 1.933 746 A HA -0.079 4.242 4.320 0.001 0.000 0.218 746 A C 2.147 179.700 177.584 -0.052 0.000 1.175 746 A CA 1.717 53.807 52.037 0.088 0.000 0.628 746 A CB -0.710 18.419 19.000 0.215 0.000 0.814 746 A HN 0.708 nan 8.150 nan 0.000 0.444 747 Y N 0.781 120.843 120.300 -0.397 0.000 2.133 747 Y HA -0.135 4.416 4.550 0.001 0.000 0.287 747 Y C 2.399 177.827 175.900 -0.786 0.000 1.134 747 Y CA 1.481 58.987 58.100 -0.990 0.000 1.133 747 Y CB -0.752 37.245 38.460 -0.772 0.000 0.987 747 Y HN 0.055 nan 8.280 nan 0.000 0.502 748 V N 0.790 120.260 119.914 -0.740 0.000 2.324 748 V HA -0.303 3.818 4.120 0.001 0.000 0.250 748 V C 2.415 178.245 176.094 -0.440 0.000 1.060 748 V CA 2.334 64.213 62.300 -0.701 0.000 1.042 748 V CB -0.765 30.705 31.823 -0.588 0.000 0.650 748 V HN 0.339 nan 8.190 nan 0.000 0.450 749 E N 0.797 120.822 120.200 -0.293 0.000 2.047 749 E HA -0.155 4.195 4.350 0.001 0.000 0.191 749 E C 2.172 178.678 176.600 -0.157 0.000 0.987 749 E CA 1.738 58.043 56.400 -0.158 0.000 0.799 749 E CB -0.644 29.016 29.700 -0.066 0.000 0.752 749 E HN 0.479 nan 8.360 nan 0.000 0.449 750 A N 0.736 123.444 122.820 -0.187 0.000 1.908 750 A HA -0.235 4.085 4.320 0.001 0.000 0.218 750 A C 2.166 179.569 177.584 -0.302 0.000 1.181 750 A CA 1.799 53.761 52.037 -0.125 0.000 0.627 750 A CB -0.620 18.334 19.000 -0.077 0.000 0.818 750 A HN 0.284 nan 8.150 nan 0.000 0.445 751 Q N -0.304 119.196 119.800 -0.501 0.000 2.224 751 Q HA -0.116 4.224 4.340 0.001 0.000 0.203 751 Q C 1.928 177.747 176.000 -0.303 0.000 0.970 751 Q CA 1.370 56.855 55.803 -0.529 0.000 0.865 751 Q CB -0.238 27.976 28.738 -0.873 0.000 0.922 751 Q HN 0.723 nan 8.270 nan 0.000 0.445 752 K N 0.563 120.835 120.400 -0.214 0.000 2.097 752 K HA -0.158 4.163 4.320 0.001 0.000 0.206 752 K C 2.078 178.635 176.600 -0.072 0.000 1.049 752 K CA 1.127 57.350 56.287 -0.105 0.000 0.933 752 K CB 0.022 32.480 32.500 -0.068 0.000 0.717 752 K HN 0.263 nan 8.250 nan 0.000 0.442 753 Q N 0.302 120.065 119.800 -0.062 0.000 2.291 753 Q HA -0.094 4.247 4.340 0.001 0.000 0.205 753 Q C 2.026 178.040 176.000 0.024 0.000 0.970 753 Q CA 0.814 56.658 55.803 0.068 0.000 0.876 753 Q CB 0.008 28.889 28.738 0.237 0.000 0.935 753 Q HN 0.069 nan 8.270 nan 0.000 0.455 754 V N 1.511 121.209 119.914 -0.360 0.000 2.287 754 V HA -0.293 3.827 4.120 0.001 0.000 0.248 754 V C 1.273 177.394 176.094 0.045 0.000 1.053 754 V CA 2.228 64.312 62.300 -0.360 0.000 1.027 754 V CB -0.518 31.018 31.823 -0.478 0.000 0.646 754 V HN 0.355 nan 8.190 nan 0.000 0.447 755 D N -0.056 120.326 120.400 -0.030 0.000 2.104 755 D HA -0.166 4.475 4.640 0.001 0.000 0.194 755 D C 2.102 178.460 176.300 0.096 0.000 0.994 755 D CA 1.496 55.500 54.000 0.007 0.000 0.830 755 D CB -0.480 40.310 40.800 -0.018 0.000 0.959 755 D HN 0.278 nan 8.370 nan 0.000 0.452 756 V N 0.462 120.441 119.914 0.109 0.000 2.287 756 V HA -0.210 3.911 4.120 0.001 0.000 0.248 756 V C 2.327 178.540 176.094 0.197 0.000 1.053 756 V CA 1.204 63.581 62.300 0.129 0.000 1.027 756 V CB -0.462 31.432 31.823 0.119 0.000 0.646 756 V HN 0.165 nan 8.190 nan 0.000 0.447 757 L N -1.018 120.403 121.223 0.329 0.000 2.056 757 L HA -0.170 4.171 4.340 0.001 0.000 0.207 757 L C 2.263 179.430 176.870 0.495 0.000 1.078 757 L CA 1.930 57.048 54.840 0.463 0.000 0.749 757 L CB -0.784 41.692 42.059 0.695 0.000 0.901 757 L HN 0.426 nan 8.230 nan 0.000 0.433 758 Y N 0.086 120.517 120.300 0.218 0.000 2.274 758 Y HA -0.206 4.345 4.550 0.001 0.000 0.290 758 Y C 2.558 178.360 175.900 -0.164 0.000 1.145 758 Y CA 1.498 59.418 58.100 -0.300 0.000 1.203 758 Y CB -0.051 38.030 38.460 -0.631 0.000 0.984 758 Y HN 0.132 nan 8.280 nan 0.000 0.533 759 R N -0.435 120.089 120.500 0.040 0.000 2.148 759 R HA -0.102 4.239 4.340 0.001 0.000 0.227 759 R C 0.139 176.420 176.300 -0.030 0.000 1.103 759 R CA 1.066 57.165 56.100 -0.003 0.000 0.983 759 R CB -0.227 30.096 30.300 0.039 0.000 0.874 759 R HN 0.180 nan 8.270 nan 0.000 0.451 760 D N 0.721 121.131 120.400 0.016 0.000 2.500 760 D HA 0.020 4.660 4.640 0.001 0.000 0.219 760 D C 0.777 177.088 176.300 0.019 0.000 1.137 760 D CA -0.060 53.956 54.000 0.026 0.000 0.946 760 D CB 0.893 41.734 40.800 0.069 0.000 1.022 760 D HN -0.129 nan 8.370 nan 0.000 0.518 761 Q N 1.907 121.671 119.800 -0.060 0.000 2.167 761 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 761 Q C 1.456 177.477 176.000 0.034 0.000 0.970 761 Q CA 0.843 56.596 55.803 -0.082 0.000 0.855 761 Q CB 0.116 28.757 28.738 -0.163 0.000 0.911 761 Q HN 0.710 nan 8.270 nan 0.000 0.438 762 E N -0.001 120.217 120.200 0.030 0.000 2.058 762 E HA -0.191 4.160 4.350 0.001 0.000 0.194 762 E C 1.740 178.378 176.600 0.063 0.000 0.997 762 E CA 1.223 57.649 56.400 0.043 0.000 0.801 762 E CB 0.044 29.760 29.700 0.026 0.000 0.746 762 E HN 0.287 nan 8.360 nan 0.000 0.450 763 A N 1.413 124.280 122.820 0.078 0.000 1.929 763 A HA -0.160 4.161 4.320 0.001 0.000 0.216 763 A C 1.986 179.627 177.584 0.095 0.000 1.176 763 A CA 1.009 53.087 52.037 0.069 0.000 0.628 763 A CB -1.057 17.989 19.000 0.077 0.000 0.816 763 A HN 0.696 nan 8.150 nan 0.000 0.444 764 W N 1.229 122.516 121.300 -0.022 0.000 2.353 764 W HA -0.160 4.501 4.660 0.001 0.000 0.319 764 W C 1.912 178.429 176.519 -0.003 0.000 1.207 764 W CA 2.365 59.710 57.345 -0.001 0.000 1.291 764 W CB -0.878 28.542 29.460 -0.068 0.000 1.159 764 W HN 0.361 nan 8.180 nan 0.000 0.478 765 T N 1.207 115.913 114.554 0.254 0.000 2.720 765 T HA -0.242 4.109 4.350 0.001 0.000 0.268 765 T C 1.874 176.542 174.700 -0.054 0.000 1.037 765 T CA 2.028 64.210 62.100 0.136 0.000 1.144 765 T CB -0.393 68.565 68.868 0.151 0.000 0.864 765 T HN 0.153 nan 8.240 nan 0.000 0.444 766 R N 0.792 121.267 120.500 -0.043 0.000 2.115 766 R HA -0.130 4.210 4.340 0.001 0.000 0.239 766 R C 2.826 179.034 176.300 -0.154 0.000 1.133 766 R CA 1.663 57.708 56.100 -0.090 0.000 0.935 766 R CB -0.639 29.627 30.300 -0.057 0.000 0.853 766 R HN 0.402 nan 8.270 nan 0.000 0.433 767 A N 0.676 123.387 122.820 -0.181 0.000 1.940 767 A HA -0.147 4.174 4.320 0.001 0.000 0.219 767 A C 2.304 179.736 177.584 -0.254 0.000 1.176 767 A CA 1.821 53.714 52.037 -0.241 0.000 0.631 767 A CB -0.643 18.155 19.000 -0.338 0.000 0.814 767 A HN 0.480 nan 8.150 nan 0.000 0.446 768 A N -0.117 122.542 122.820 -0.268 0.000 1.897 768 A HA -0.014 4.306 4.320 0.001 0.000 0.215 768 A C 2.083 179.568 177.584 -0.166 0.000 1.181 768 A CA 1.362 53.311 52.037 -0.146 0.000 0.620 768 A CB -0.575 18.454 19.000 0.048 0.000 0.821 768 A HN 0.477 nan 8.150 nan 0.000 0.443 769 I N -0.171 120.153 120.570 -0.410 0.000 2.264 769 I HA -0.270 3.901 4.170 0.001 0.000 0.248 769 I C 2.224 178.227 176.117 -0.191 0.000 1.111 769 I CA 1.113 62.125 61.300 -0.480 0.000 1.382 769 I CB -0.268 37.468 38.000 -0.441 0.000 1.060 769 I HN 0.285 nan 8.210 nan 0.000 0.418 770 L N 0.028 121.158 121.223 -0.155 0.000 2.217 770 L HA -0.144 4.197 4.340 0.001 0.000 0.211 770 L C 2.222 179.053 176.870 -0.065 0.000 1.107 770 L CA 1.033 55.811 54.840 -0.104 0.000 0.783 770 L CB -0.667 41.327 42.059 -0.109 0.000 0.919 770 L HN 0.344 nan 8.230 nan 0.000 0.442 771 N N -0.555 118.104 118.700 -0.068 0.000 2.142 771 N HA -0.140 4.600 4.740 0.001 0.000 0.186 771 N C 1.694 177.218 175.510 0.024 0.000 1.023 771 N CA 1.847 54.882 53.050 -0.025 0.000 0.852 771 N CB -0.021 38.442 38.487 -0.041 0.000 0.998 771 N HN 0.298 nan 8.380 nan 0.000 0.424 772 T N 1.296 115.875 114.554 0.041 0.000 2.674 772 T HA -0.083 4.267 4.350 0.001 0.000 0.265 772 T C 2.083 176.804 174.700 0.036 0.000 1.039 772 T CA 1.318 63.461 62.100 0.070 0.000 1.150 772 T CB -0.314 68.644 68.868 0.151 0.000 0.864 772 T HN 0.305 nan 8.240 nan 0.000 0.427 773 A N 1.486 124.308 122.820 0.004 0.000 1.972 773 A HA -0.077 4.244 4.320 0.001 0.000 0.219 773 A C 2.236 179.826 177.584 0.010 0.000 1.169 773 A CA 1.248 53.280 52.037 -0.008 0.000 0.635 773 A CB -0.353 18.625 19.000 -0.037 0.000 0.810 773 A HN 0.412 nan 8.150 nan 0.000 0.446 774 R N -1.990 118.523 120.500 0.021 0.000 2.334 774 R HA 0.153 4.494 4.340 0.001 0.000 0.216 774 R C 0.286 176.641 176.300 0.091 0.000 0.905 774 R CA 0.106 56.226 56.100 0.033 0.000 1.064 774 R CB -0.086 30.225 30.300 0.018 0.000 1.046 774 R HN 0.453 nan 8.270 nan 0.000 0.508 775 C N 0.378 119.761 119.300 0.139 0.000 2.589 775 C HA 0.216 4.676 4.460 0.001 0.000 0.307 775 C C 2.069 177.197 174.990 0.231 0.000 1.328 775 C CA -0.549 58.654 59.018 0.310 0.000 1.742 775 C CB -0.494 27.435 27.740 0.314 0.000 2.037 775 C HN 0.640 nan 8.230 nan 0.000 0.592 776 G N 1.768 110.614 108.800 0.076 0.000 2.432 776 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 776 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 776 G C 1.599 176.482 174.900 -0.028 0.000 1.135 776 G CA 1.129 46.258 45.100 0.047 0.000 0.767 776 G HN 0.691 nan 8.290 nan 0.000 0.550 777 M N -1.426 118.053 119.600 -0.202 0.000 2.446 777 M HA 0.250 4.731 4.480 0.001 0.000 0.263 777 M C 1.214 177.287 176.300 -0.378 0.000 1.066 777 M CA 1.215 56.302 55.300 -0.356 0.000 1.087 777 M CB -0.361 31.906 32.600 -0.555 0.000 1.406 777 M HN 0.021 nan 8.290 nan 0.000 0.459 778 F N 0.983 120.962 119.950 0.048 0.000 2.731 778 F HA 0.319 4.847 4.527 0.001 0.000 0.304 778 F C 1.311 177.162 175.800 0.086 0.000 1.133 778 F CA -0.386 57.649 58.000 0.059 0.000 1.380 778 F CB -0.544 38.479 39.000 0.039 0.000 1.079 778 F HN 0.120 nan 8.300 nan 0.000 0.550 779 S N 0.255 116.056 115.700 0.169 0.000 2.549 779 S HA 0.035 4.505 4.470 0.001 0.000 0.283 779 S C 1.536 176.233 174.600 0.161 0.000 1.320 779 S CA 0.120 58.414 58.200 0.157 0.000 1.058 779 S CB 0.599 63.861 63.200 0.104 0.000 0.882 779 S HN 0.391 nan 8.310 nan 0.000 0.498 780 S N 3.296 119.121 115.700 0.208 0.000 2.481 780 S HA -0.069 4.402 4.470 0.001 0.000 0.231 780 S C 1.063 175.724 174.600 0.102 0.000 0.996 780 S CA 0.625 58.982 58.200 0.262 0.000 0.942 780 S CB -0.315 63.139 63.200 0.423 0.000 0.768 780 S HN 0.786 nan 8.310 nan 0.000 0.520 781 D N 2.016 122.458 120.400 0.071 0.000 2.123 781 D HA -0.124 4.516 4.640 0.001 0.000 0.196 781 D C 2.073 178.369 176.300 -0.006 0.000 0.992 781 D CA 0.932 54.943 54.000 0.019 0.000 0.833 781 D CB -0.338 40.472 40.800 0.017 0.000 0.954 781 D HN 0.309 nan 8.370 nan 0.000 0.455 782 R N 0.975 121.477 120.500 0.003 0.000 2.075 782 R HA -0.043 4.298 4.340 0.001 0.000 0.232 782 R C 2.081 178.354 176.300 -0.045 0.000 1.126 782 R CA 0.904 56.988 56.100 -0.027 0.000 0.963 782 R CB -0.305 29.972 30.300 -0.039 0.000 0.858 782 R HN 0.048 nan 8.270 nan 0.000 0.435 783 S N 1.324 117.017 115.700 -0.012 0.000 2.359 783 S HA -0.132 4.339 4.470 0.001 0.000 0.224 783 S C 1.984 176.509 174.600 -0.126 0.000 1.035 783 S CA 1.211 59.393 58.200 -0.030 0.000 1.018 783 S CB -0.205 63.060 63.200 0.109 0.000 0.876 783 S HN 0.215 nan 8.310 nan 0.000 0.448 784 I N 1.771 122.223 120.570 -0.196 0.000 2.226 784 I HA -0.104 4.067 4.170 0.001 0.000 0.245 784 I C 2.359 178.437 176.117 -0.065 0.000 1.100 784 I CA 1.297 62.509 61.300 -0.146 0.000 1.374 784 I CB -1.170 36.780 38.000 -0.083 0.000 1.057 784 I HN 0.193 nan 8.210 nan 0.000 0.413 785 R N 0.811 121.275 120.500 -0.060 0.000 2.096 785 R HA -0.148 4.193 4.340 0.001 0.000 0.235 785 R C 1.802 178.039 176.300 -0.105 0.000 1.127 785 R CA 1.147 57.216 56.100 -0.052 0.000 0.968 785 R CB -0.930 29.345 30.300 -0.042 0.000 0.861 785 R HN 0.392 nan 8.270 nan 0.000 0.440 786 D N -0.278 120.026 120.400 -0.160 0.000 2.097 786 D HA -0.130 4.511 4.640 0.001 0.000 0.197 786 D C 1.952 178.019 176.300 -0.389 0.000 0.984 786 D CA 1.094 54.948 54.000 -0.243 0.000 0.826 786 D CB -0.384 40.254 40.800 -0.269 0.000 0.973 786 D HN 0.209 nan 8.370 nan 0.000 0.460 787 Y N 1.333 121.308 120.300 -0.541 0.000 2.207 787 Y HA -0.177 4.373 4.550 0.001 0.000 0.287 787 Y C 2.583 178.042 175.900 -0.736 0.000 1.156 787 Y CA 1.282 58.789 58.100 -0.989 0.000 1.182 787 Y CB -0.218 37.017 38.460 -2.042 0.000 0.979 787 Y HN 0.059 nan 8.280 nan 0.000 0.521 788 Q N -0.870 118.811 119.800 -0.199 0.000 2.046 788 Q HA -0.153 4.187 4.340 0.001 0.000 0.200 788 Q C 2.570 178.561 176.000 -0.016 0.000 0.975 788 Q CA 1.352 57.184 55.803 0.048 0.000 0.836 788 Q CB -0.323 28.481 28.738 0.111 0.000 0.896 788 Q HN 0.507 nan 8.270 nan 0.000 0.428 789 A N 1.022 123.796 122.820 -0.076 0.000 1.897 789 A HA -0.126 4.195 4.320 0.001 0.000 0.215 789 A C 1.936 179.471 177.584 -0.081 0.000 1.181 789 A CA 1.101 53.103 52.037 -0.058 0.000 0.620 789 A CB -0.189 18.775 19.000 -0.060 0.000 0.821 789 A HN 0.174 nan 8.150 nan 0.000 0.443 790 R N -1.493 118.903 120.500 -0.173 0.000 2.173 790 R HA 0.334 4.675 4.340 0.001 0.000 0.208 790 R C 1.121 177.240 176.300 -0.303 0.000 1.035 790 R CA 1.140 57.095 56.100 -0.240 0.000 1.004 790 R CB 0.022 30.107 30.300 -0.358 0.000 0.917 790 R HN 0.546 nan 8.270 nan 0.000 0.462 791 I N -2.551 117.888 120.570 -0.219 0.000 3.557 791 I HA 0.008 4.178 4.170 0.001 0.000 0.259 791 I C 1.283 177.553 176.117 0.256 0.000 1.108 791 I CA -0.233 61.061 61.300 -0.010 0.000 1.536 791 I CB -0.167 37.723 38.000 -0.184 0.000 1.727 791 I HN 0.021 nan 8.210 nan 0.000 0.408 792 W N 2.056 123.449 121.300 0.154 0.000 2.381 792 W HA -0.038 4.623 4.660 0.001 0.000 0.301 792 W C 1.892 178.435 176.519 0.041 0.000 1.205 792 W CA 0.647 58.069 57.345 0.129 0.000 1.285 792 W CB -0.737 28.788 29.460 0.108 0.000 1.133 792 W HN 0.227 nan 8.180 nan 0.000 0.521 793 Q N -0.664 119.280 119.800 0.239 0.000 2.220 793 Q HA 0.330 4.671 4.340 0.001 0.000 0.205 793 Q C 0.584 176.607 176.000 0.038 0.000 0.865 793 Q CA 0.044 55.913 55.803 0.110 0.000 0.960 793 Q CB -0.200 28.599 28.738 0.101 0.000 1.097 793 Q HN 0.005 nan 8.270 nan 0.000 0.493 794 A N 1.340 124.178 122.820 0.030 0.000 2.272 794 A HA 0.392 4.712 4.320 0.001 0.000 0.275 794 A C 0.161 177.717 177.584 -0.046 0.000 1.096 794 A CA -0.433 51.603 52.037 -0.002 0.000 0.822 794 A CB 0.454 19.463 19.000 0.015 0.000 1.088 794 A HN 0.099 nan 8.150 nan 0.000 0.495 795 K N 0.474 120.853 120.400 -0.036 0.000 2.249 795 K HA 0.399 4.720 4.320 0.001 0.000 0.280 795 K C 0.158 176.711 176.600 -0.078 0.000 1.033 795 K CA 0.017 56.271 56.287 -0.055 0.000 0.946 795 K CB 0.395 32.879 32.500 -0.026 0.000 1.005 795 K HN 0.784 nan 8.250 nan 0.000 0.469 796 R N 0.000 120.425 120.500 -0.125 0.000 2.786 796 R HA 0.000 4.341 4.340 0.001 0.000 0.208 796 R CA 0.000 56.022 56.100 -0.129 0.000 0.921 796 R CB 0.000 30.140 30.300 -0.267 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535