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 2av6_1_B 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 0.000 174.572 174.600 -0.047 0.000 1.055 1 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 1 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 2 Q N 1.608 121.375 119.800 -0.055 0.000 3.042 2 Q HA 0.014 4.353 4.340 -0.001 0.000 0.358 2 Q C -2.081 173.941 176.000 0.035 0.000 1.064 2 Q CA 0.063 55.837 55.803 -0.048 0.000 1.188 2 Q CB -0.446 28.267 28.738 -0.042 0.000 0.967 2 Q HN 0.400 nan 8.270 nan 0.000 0.414 3 P HA 0.056 nan 4.420 nan 0.000 0.272 3 P C -0.696 176.881 177.300 0.462 0.000 1.223 3 P CA 0.075 63.301 63.100 0.211 0.000 0.784 3 P CB 0.486 32.280 31.700 0.156 0.000 0.923 4 I N 0.497 121.304 120.570 0.394 0.000 2.339 4 I HA 0.389 4.559 4.170 -0.001 0.000 0.290 4 I C 0.058 176.244 176.117 0.116 0.000 0.994 4 I CA -0.934 60.532 61.300 0.277 0.000 1.191 4 I CB 0.541 38.613 38.000 0.120 0.000 1.343 4 I HN 0.163 nan 8.210 nan 0.000 0.458 5 F N 6.568 126.299 119.950 -0.365 0.000 2.471 5 F HA 0.311 4.838 4.527 -0.001 0.000 0.353 5 F C 0.226 175.755 175.800 -0.451 0.000 1.113 5 F CA 0.248 57.650 58.000 -0.996 0.000 1.262 5 F CB 0.530 38.705 39.000 -1.376 0.000 1.146 5 F HN 0.619 nan 8.300 nan 0.000 0.578 6 N N 4.711 122.676 118.700 -1.225 0.000 2.430 6 N HA 0.079 4.818 4.740 -0.001 0.000 0.290 6 N C -0.025 174.919 175.510 -0.944 0.000 1.063 6 N CA -0.356 52.259 53.050 -0.726 0.000 0.883 6 N CB 1.452 39.703 38.487 -0.393 0.000 1.465 6 N HN 0.831 nan 8.380 nan 0.000 0.493 7 D N 2.936 123.069 120.400 -0.446 0.000 2.123 7 D HA -0.165 4.474 4.640 -0.001 0.000 0.196 7 D C 1.598 177.873 176.300 -0.041 0.000 0.992 7 D CA 1.550 55.492 54.000 -0.097 0.000 0.833 7 D CB 0.401 41.273 40.800 0.121 0.000 0.954 7 D HN 0.595 nan 8.370 nan 0.000 0.455 8 K N -0.070 120.279 120.400 -0.086 0.000 2.103 8 K HA -0.167 4.153 4.320 -0.001 0.000 0.204 8 K C 2.185 178.731 176.600 -0.090 0.000 1.052 8 K CA 0.917 57.174 56.287 -0.050 0.000 0.945 8 K CB -0.112 32.357 32.500 -0.052 0.000 0.722 8 K HN 0.227 nan 8.250 nan 0.000 0.443 9 Q N -0.202 119.499 119.800 -0.165 0.000 2.084 9 Q HA -0.209 4.131 4.340 -0.001 0.000 0.202 9 Q C 1.956 177.873 176.000 -0.138 0.000 0.978 9 Q CA 1.599 57.301 55.803 -0.168 0.000 0.844 9 Q CB -0.208 28.401 28.738 -0.215 0.000 0.898 9 Q HN 0.332 nan 8.270 nan 0.000 0.426 10 F N 1.393 121.159 119.950 -0.306 0.000 2.095 10 F HA -0.255 4.271 4.527 -0.001 0.000 0.298 10 F C 2.290 178.063 175.800 -0.044 0.000 1.104 10 F CA 1.742 59.643 58.000 -0.164 0.000 1.232 10 F CB -0.257 38.692 39.000 -0.086 0.000 0.987 10 F HN 0.137 nan 8.300 nan 0.000 0.475 11 Q N 0.457 120.232 119.800 -0.042 0.000 2.084 11 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 11 Q C 2.167 178.087 176.000 -0.133 0.000 0.978 11 Q CA 1.967 57.749 55.803 -0.034 0.000 0.844 11 Q CB -0.637 28.178 28.738 0.129 0.000 0.898 11 Q HN 0.611 nan 8.270 nan 0.000 0.426 12 E N 0.841 120.959 120.200 -0.138 0.000 2.051 12 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 12 E C 2.012 178.453 176.600 -0.264 0.000 0.991 12 E CA 1.012 57.306 56.400 -0.178 0.000 0.799 12 E CB -0.148 29.468 29.700 -0.140 0.000 0.748 12 E HN 0.346 nan 8.360 nan 0.000 0.449 13 A N 1.156 123.813 122.820 -0.272 0.000 1.908 13 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 13 A C 2.168 179.507 177.584 -0.408 0.000 1.181 13 A CA 1.207 53.063 52.037 -0.301 0.000 0.627 13 A CB -0.519 18.336 19.000 -0.242 0.000 0.818 13 A HN 0.227 nan 8.150 nan 0.000 0.445 14 L N 0.573 121.498 121.223 -0.497 0.000 2.109 14 L HA -0.092 4.247 4.340 -0.001 0.000 0.207 14 L C 2.755 179.314 176.870 -0.519 0.000 1.086 14 L CA 2.567 57.106 54.840 -0.500 0.000 0.760 14 L CB -0.553 41.159 42.059 -0.579 0.000 0.910 14 L HN 0.503 nan 8.230 nan 0.000 0.437 15 S N -0.975 114.388 115.700 -0.561 0.000 2.402 15 S HA -0.190 4.280 4.470 -0.001 0.000 0.229 15 S C 2.148 176.028 174.600 -1.200 0.000 1.021 15 S CA 0.729 58.252 58.200 -1.128 0.000 0.974 15 S CB -0.593 62.207 63.200 -0.666 0.000 0.800 15 S HN 0.500 nan 8.310 nan 0.000 0.484 16 R N 0.758 120.831 120.500 -0.711 0.000 2.127 16 R HA -0.054 4.286 4.340 -0.001 0.000 0.238 16 R C 2.639 178.573 176.300 -0.611 0.000 1.134 16 R CA 1.631 57.389 56.100 -0.571 0.000 0.975 16 R CB -0.261 29.800 30.300 -0.398 0.000 0.865 16 R HN 0.540 nan 8.270 nan 0.000 0.447 17 Q N -0.206 119.206 119.800 -0.648 0.000 2.049 17 Q HA -0.163 4.177 4.340 -0.001 0.000 0.198 17 Q C 2.092 177.567 176.000 -0.876 0.000 0.971 17 Q CA 1.463 56.841 55.803 -0.709 0.000 0.833 17 Q CB -0.467 27.942 28.738 -0.549 0.000 0.896 17 Q HN 0.629 nan 8.270 nan 0.000 0.434 18 W N 1.071 122.029 121.300 -0.570 0.000 2.436 18 W HA -0.014 4.645 4.660 -0.001 0.000 0.284 18 W C 1.349 177.669 176.519 -0.332 0.000 1.225 18 W CA 0.445 57.523 57.345 -0.445 0.000 1.271 18 W CB -0.659 28.616 29.460 -0.308 0.000 1.114 18 W HN 0.196 nan 8.180 nan 0.000 0.559 19 Q N 1.079 120.600 119.800 -0.465 0.000 2.124 19 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 19 Q C 2.416 178.267 176.000 -0.249 0.000 0.977 19 Q CA 1.999 57.614 55.803 -0.312 0.000 0.850 19 Q CB -0.387 28.048 28.738 -0.506 0.000 0.901 19 Q HN 0.275 nan 8.270 nan 0.000 0.429 20 R N -0.174 120.092 120.500 -0.390 0.000 2.189 20 R HA -0.142 4.197 4.340 -0.001 0.000 0.223 20 R C 0.926 177.122 176.300 -0.174 0.000 1.092 20 R CA 1.059 56.973 56.100 -0.310 0.000 0.989 20 R CB 0.104 30.176 30.300 -0.380 0.000 0.876 20 R HN 0.247 nan 8.270 nan 0.000 0.457 21 Y N -0.526 119.740 120.300 -0.057 0.000 2.511 21 Y HA 0.337 4.886 4.550 -0.001 0.000 0.279 21 Y C 1.478 177.374 175.900 -0.007 0.000 1.157 21 Y CA -0.004 58.077 58.100 -0.032 0.000 1.300 21 Y CB -0.032 38.409 38.460 -0.032 0.000 1.052 21 Y HN 0.279 nan 8.280 nan 0.000 0.529 22 G N 0.653 109.512 108.800 0.098 0.000 2.182 22 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.248 22 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.248 22 G C -0.172 174.796 174.900 0.114 0.000 1.042 22 G CA 0.066 45.214 45.100 0.080 0.000 0.775 22 G HN 0.286 nan 8.290 nan 0.000 0.501 23 L N -0.617 120.716 121.223 0.183 0.000 2.399 23 L HA 0.436 4.775 4.340 -0.001 0.000 0.265 23 L C 1.397 178.392 176.870 0.210 0.000 1.089 23 L CA -1.211 53.722 54.840 0.156 0.000 0.802 23 L CB 0.620 42.751 42.059 0.120 0.000 1.180 23 L HN -0.030 nan 8.230 nan 0.000 0.454 24 N N 0.045 118.774 118.700 0.049 0.000 2.446 24 N HA -0.023 4.717 4.740 -0.001 0.000 0.179 24 N C 0.094 175.447 175.510 -0.262 0.000 1.054 24 N CA 0.484 53.549 53.050 0.024 0.000 0.905 24 N CB 0.303 38.777 38.487 -0.021 0.000 0.973 24 N HN 0.734 nan 8.380 nan 0.000 0.448 25 S N -2.294 112.996 115.700 -0.683 0.000 2.611 25 S HA 0.617 5.086 4.470 -0.001 0.000 0.268 25 S C 0.529 174.209 174.600 -1.534 0.000 1.156 25 S CA -0.314 57.010 58.200 -1.460 0.000 0.817 25 S CB 1.210 64.020 63.200 -0.650 0.000 1.122 25 S HN -0.011 nan 8.310 nan 0.000 0.466 26 A N 1.042 122.828 122.820 -1.724 0.000 1.940 26 A HA 0.252 4.571 4.320 -0.001 0.000 0.219 26 A C 2.283 179.594 177.584 -0.455 0.000 1.176 26 A CA 2.110 53.488 52.037 -1.097 0.000 0.631 26 A CB -1.592 17.087 19.000 -0.534 0.000 0.814 26 A HN 1.729 nan 8.150 nan 0.000 0.446 27 A N -0.391 122.335 122.820 -0.156 0.000 2.070 27 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 27 A C 1.790 179.385 177.584 0.019 0.000 1.159 27 A CA 1.552 53.645 52.037 0.093 0.000 0.656 27 A CB -0.461 18.571 19.000 0.053 0.000 0.800 27 A HN 0.655 nan 8.150 nan 0.000 0.453 28 E N -0.831 119.285 120.200 -0.140 0.000 2.418 28 E HA 0.013 4.362 4.350 -0.001 0.000 0.197 28 E C 0.342 176.900 176.600 -0.071 0.000 1.026 28 E CA -0.079 56.266 56.400 -0.092 0.000 0.862 28 E CB -0.109 29.518 29.700 -0.121 0.000 0.799 28 E HN 0.642 nan 8.360 nan 0.000 0.518 29 M N 1.074 120.578 119.600 -0.161 0.000 2.242 29 M HA 0.039 4.519 4.480 -0.001 0.000 0.344 29 M C 0.738 177.048 176.300 0.016 0.000 1.140 29 M CA -0.097 55.086 55.300 -0.195 0.000 1.160 29 M CB 0.944 33.157 32.600 -0.645 0.000 1.491 29 M HN -0.016 nan 8.290 nan 0.000 0.459 30 T N -0.602 113.970 114.554 0.029 0.000 2.788 30 T HA 0.210 4.559 4.350 -0.001 0.000 0.287 30 T C -2.098 172.757 174.700 0.258 0.000 1.007 30 T CA -1.468 60.703 62.100 0.117 0.000 1.005 30 T CB 0.234 69.131 68.868 0.048 0.000 1.012 30 T HN 0.400 nan 8.240 nan 0.000 0.530 31 P HA -0.074 nan 4.420 nan 0.000 0.216 31 P C 1.686 179.164 177.300 0.297 0.000 1.150 31 P CA 0.977 64.245 63.100 0.280 0.000 0.843 31 P CB 0.055 31.856 31.700 0.168 0.000 0.787 32 R N -0.213 120.412 120.500 0.207 0.000 2.073 32 R HA -0.107 4.233 4.340 -0.001 0.000 0.229 32 R C 2.313 178.747 176.300 0.224 0.000 1.120 32 R CA 1.358 57.594 56.100 0.227 0.000 0.967 32 R CB -0.389 29.988 30.300 0.127 0.000 0.862 32 R HN 0.204 nan 8.270 nan 0.000 0.436 33 Q N -0.976 118.862 119.800 0.063 0.000 2.135 33 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 33 Q C 1.749 177.800 176.000 0.086 0.000 0.981 33 Q CA 1.898 57.653 55.803 -0.080 0.000 0.856 33 Q CB -0.166 28.414 28.738 -0.263 0.000 0.902 33 Q HN 0.462 nan 8.270 nan 0.000 0.425 34 W N -0.455 120.913 121.300 0.112 0.000 2.355 34 W HA -0.218 4.441 4.660 -0.001 0.000 0.309 34 W C 2.060 178.649 176.519 0.118 0.000 1.206 34 W CA 0.705 58.115 57.345 0.109 0.000 1.284 34 W CB -0.390 29.132 29.460 0.103 0.000 1.145 34 W HN 0.333 nan 8.180 nan 0.000 0.502 35 W N 0.468 121.947 121.300 0.300 0.000 2.381 35 W HA -0.162 4.497 4.660 -0.001 0.000 0.301 35 W C 1.899 178.493 176.519 0.125 0.000 1.205 35 W CA 1.811 59.276 57.345 0.198 0.000 1.285 35 W CB -0.748 28.811 29.460 0.165 0.000 1.133 35 W HN -0.216 nan 8.180 nan 0.000 0.521 36 L N 0.649 121.791 121.223 -0.134 0.000 2.017 36 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 36 L C 2.788 179.481 176.870 -0.295 0.000 1.073 36 L CA 1.632 56.238 54.840 -0.389 0.000 0.745 36 L CB -1.451 40.560 42.059 -0.080 0.000 0.894 36 L HN 0.104 nan 8.230 nan 0.000 0.432 37 A N -0.393 122.388 122.820 -0.064 0.000 1.877 37 A HA -0.155 4.165 4.320 -0.001 0.000 0.216 37 A C 2.330 179.810 177.584 -0.175 0.000 1.186 37 A CA 1.850 53.821 52.037 -0.109 0.000 0.620 37 A CB -0.896 18.055 19.000 -0.082 0.000 0.822 37 A HN 0.187 nan 8.150 nan 0.000 0.443 38 V N 0.160 120.039 119.914 -0.058 0.000 2.343 38 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 38 V C 2.782 178.797 176.094 -0.133 0.000 1.051 38 V CA 2.367 64.684 62.300 0.029 0.000 1.036 38 V CB -0.771 31.184 31.823 0.221 0.000 0.654 38 V HN 0.578 nan 8.190 nan 0.000 0.451 39 S N -0.684 114.759 115.700 -0.427 0.000 2.383 39 S HA -0.153 4.317 4.470 -0.001 0.000 0.227 39 S C 1.888 175.968 174.600 -0.868 0.000 1.026 39 S CA 1.072 58.848 58.200 -0.707 0.000 0.981 39 S CB -0.236 62.313 63.200 -1.086 0.000 0.818 39 S HN 0.632 nan 8.310 nan 0.000 0.472 40 E N 1.288 121.106 120.200 -0.636 0.000 2.208 40 E HA 0.014 4.363 4.350 -0.001 0.000 0.193 40 E C 2.271 178.645 176.600 -0.378 0.000 0.988 40 E CA 0.808 56.896 56.400 -0.520 0.000 0.828 40 E CB -0.189 29.291 29.700 -0.366 0.000 0.763 40 E HN 0.508 nan 8.360 nan 0.000 0.478 41 A N 1.203 123.840 122.820 -0.304 0.000 1.897 41 A HA -0.091 4.229 4.320 -0.001 0.000 0.215 41 A C 2.249 179.803 177.584 -0.050 0.000 1.181 41 A CA 0.749 52.664 52.037 -0.205 0.000 0.620 41 A CB -0.541 18.293 19.000 -0.278 0.000 0.821 41 A HN 0.120 nan 8.150 nan 0.000 0.443 42 L N -0.698 120.526 121.223 0.002 0.000 2.093 42 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 42 L C 3.014 179.937 176.870 0.088 0.000 1.085 42 L CA 0.966 55.936 54.840 0.217 0.000 0.755 42 L CB -0.427 41.838 42.059 0.344 0.000 0.904 42 L HN 0.423 nan 8.230 nan 0.000 0.435 43 A N -0.416 122.211 122.820 -0.323 0.000 1.969 43 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 43 A C 2.196 179.776 177.584 -0.007 0.000 1.169 43 A CA 1.368 53.293 52.037 -0.186 0.000 0.635 43 A CB -0.319 18.392 19.000 -0.482 0.000 0.810 43 A HN 0.411 nan 8.150 nan 0.000 0.445 44 E N -0.630 119.534 120.200 -0.061 0.000 2.047 44 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 44 E C 2.087 178.712 176.600 0.042 0.000 0.987 44 E CA 1.454 57.835 56.400 -0.031 0.000 0.799 44 E CB -0.237 29.412 29.700 -0.086 0.000 0.752 44 E HN 0.663 nan 8.360 nan 0.000 0.449 45 M N 0.238 119.899 119.600 0.102 0.000 2.108 45 M HA -0.187 4.292 4.480 -0.001 0.000 0.261 45 M C 2.419 178.875 176.300 0.261 0.000 1.066 45 M CA 1.034 56.452 55.300 0.196 0.000 1.107 45 M CB -0.239 32.549 32.600 0.313 0.000 1.356 45 M HN 0.137 nan 8.290 nan 0.000 0.406 46 L N 0.425 121.805 121.223 0.262 0.000 2.083 46 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 46 L C 2.334 179.286 176.870 0.136 0.000 1.083 46 L CA 1.882 56.835 54.840 0.189 0.000 0.752 46 L CB -0.372 41.810 42.059 0.205 0.000 0.899 46 L HN 0.136 nan 8.230 nan 0.000 0.433 47 R N -0.733 119.838 120.500 0.119 0.000 2.193 47 R HA 0.091 4.430 4.340 -0.001 0.000 0.213 47 R C 1.973 178.314 176.300 0.068 0.000 1.055 47 R CA 0.748 56.898 56.100 0.084 0.000 0.995 47 R CB -0.348 29.988 30.300 0.060 0.000 0.893 47 R HN 0.465 nan 8.270 nan 0.000 0.459 48 A N 0.694 123.557 122.820 0.072 0.000 2.208 48 A HA 0.006 4.325 4.320 -0.001 0.000 0.209 48 A C 0.553 178.181 177.584 0.073 0.000 1.161 48 A CA 0.278 52.348 52.037 0.055 0.000 0.782 48 A CB 0.143 19.166 19.000 0.038 0.000 0.816 48 A HN 0.084 nan 8.150 nan 0.000 0.477 49 Q N 1.218 121.078 119.800 0.100 0.000 2.327 49 Q HA 0.280 4.620 4.340 -0.001 0.000 0.254 49 Q C -2.176 173.880 176.000 0.094 0.000 0.952 49 Q CA -1.731 54.136 55.803 0.105 0.000 0.884 49 Q CB 0.285 29.088 28.738 0.109 0.000 1.224 49 Q HN 0.346 nan 8.270 nan 0.000 0.422 50 P HA 0.001 nan 4.420 nan 0.000 0.268 50 P C -0.449 176.931 177.300 0.133 0.000 1.208 50 P CA -0.213 62.948 63.100 0.102 0.000 0.777 50 P CB 0.347 32.092 31.700 0.074 0.000 0.875 51 F N 1.857 121.807 119.950 0.001 0.000 2.541 51 F HA 0.327 4.853 4.527 -0.001 0.000 0.378 51 F C 0.237 176.035 175.800 -0.004 0.000 1.068 51 F CA -0.499 57.498 58.000 -0.004 0.000 1.199 51 F CB 0.091 39.087 39.000 -0.008 0.000 1.091 51 F HN 0.391 nan 8.300 nan 0.000 0.555 52 A N 7.618 130.122 122.820 -0.527 0.000 2.276 52 A HA 0.409 4.729 4.320 -0.001 0.000 0.300 52 A C -0.388 176.640 177.584 -0.926 0.000 1.235 52 A CA -0.898 50.828 52.037 -0.518 0.000 0.867 52 A CB 0.024 18.843 19.000 -0.302 0.000 1.137 52 A HN 0.794 nan 8.150 nan 0.000 0.527 53 K N 3.993 124.037 120.400 -0.594 0.000 2.270 53 K HA 0.503 4.823 4.320 -0.001 0.000 0.276 53 K C -2.375 174.085 176.600 -0.232 0.000 1.023 53 K CA -1.148 54.889 56.287 -0.417 0.000 0.955 53 K CB 0.422 32.908 32.500 -0.023 0.000 0.975 53 K HN 0.445 nan 8.250 nan 0.000 0.471 54 P HA 0.005 nan 4.420 nan 0.000 0.277 54 P C -0.350 176.943 177.300 -0.012 0.000 1.276 54 P CA -0.671 62.396 63.100 -0.054 0.000 0.788 54 P CB 0.380 32.086 31.700 0.009 0.000 1.114 55 V N 0.099 120.014 119.914 0.002 0.000 2.673 55 V HA 0.213 4.332 4.120 -0.001 0.000 0.303 55 V C 1.078 177.195 176.094 0.038 0.000 1.046 55 V CA 0.125 62.435 62.300 0.017 0.000 1.126 55 V CB -0.026 31.808 31.823 0.019 0.000 0.934 55 V HN 0.792 nan 8.190 nan 0.000 0.487 56 A N 3.712 126.555 122.820 0.039 0.000 2.272 56 A HA 0.488 4.808 4.320 -0.001 0.000 0.275 56 A C 0.724 178.341 177.584 0.055 0.000 1.096 56 A CA -0.160 51.908 52.037 0.052 0.000 0.822 56 A CB -0.340 18.687 19.000 0.044 0.000 1.088 56 A HN 1.117 nan 8.150 nan 0.000 0.495 57 N N -0.598 118.143 118.700 0.069 0.000 2.725 57 N HA -0.172 4.567 4.740 -0.001 0.000 0.251 57 N C -0.764 174.776 175.510 0.051 0.000 1.031 57 N CA 1.094 54.181 53.050 0.062 0.000 0.720 57 N CB -1.133 37.378 38.487 0.039 0.000 0.930 57 N HN 0.742 nan 8.380 nan 0.000 0.543 58 Q N -0.029 119.814 119.800 0.072 0.000 2.413 58 Q HA 0.432 4.771 4.340 -0.001 0.000 0.276 58 Q C -0.211 175.842 176.000 0.088 0.000 1.099 58 Q CA -1.041 54.802 55.803 0.066 0.000 0.814 58 Q CB 2.002 30.783 28.738 0.072 0.000 1.379 58 Q HN 0.176 nan 8.270 nan 0.000 0.436 59 R N 0.957 121.496 120.500 0.065 0.000 2.638 59 R HA -0.016 4.323 4.340 -0.001 0.000 0.268 59 R C -0.085 176.275 176.300 0.101 0.000 1.006 59 R CA 0.147 56.298 56.100 0.085 0.000 1.088 59 R CB 0.047 30.372 30.300 0.042 0.000 0.950 59 R HN 0.562 nan 8.270 nan 0.000 0.419 60 H N 1.088 120.178 119.070 0.034 0.000 2.610 60 H HA 0.185 4.740 4.556 -0.001 0.000 0.336 60 H C -0.737 174.541 175.328 -0.083 0.000 1.087 60 H CA -0.306 55.739 56.048 -0.004 0.000 1.405 60 H CB 0.856 30.640 29.762 0.037 0.000 1.460 60 H HN 0.175 nan 8.280 nan 0.000 0.538 61 V N 6.154 125.704 119.914 -0.607 0.000 2.383 61 V HA 0.148 4.267 4.120 -0.001 0.000 0.275 61 V C -0.203 175.613 176.094 -0.464 0.000 1.036 61 V CA -0.791 61.133 62.300 -0.625 0.000 0.889 61 V CB 0.995 32.239 31.823 -0.965 0.000 0.985 61 V HN 0.851 nan 8.190 nan 0.000 0.459 62 N N 4.379 122.983 118.700 -0.159 0.000 2.501 62 N HA 0.229 4.969 4.740 -0.001 0.000 0.245 62 N C -1.181 174.449 175.510 0.199 0.000 0.974 62 N CA -0.347 52.794 53.050 0.153 0.000 0.941 62 N CB 1.627 40.303 38.487 0.315 0.000 1.122 62 N HN 0.680 nan 8.380 nan 0.000 0.507 63 Y N 3.205 123.578 120.300 0.120 0.000 2.454 63 Y HA 0.378 4.927 4.550 -0.001 0.000 0.345 63 Y C -0.101 176.030 175.900 0.385 0.000 0.970 63 Y CA -0.606 57.609 58.100 0.192 0.000 1.204 63 Y CB 0.350 38.911 38.460 0.168 0.000 1.122 63 Y HN 0.379 nan 8.280 nan 0.000 0.514 64 I N 5.212 125.852 120.570 0.116 0.000 2.304 64 I HA 0.307 4.476 4.170 -0.001 0.000 0.291 64 I C -0.055 176.112 176.117 0.083 0.000 1.018 64 I CA -0.336 61.111 61.300 0.245 0.000 1.260 64 I CB 1.016 39.144 38.000 0.213 0.000 1.390 64 I HN 0.466 nan 8.210 nan 0.000 0.475 65 S N 5.980 121.791 115.700 0.185 0.000 2.546 65 S HA 0.463 4.933 4.470 -0.001 0.000 0.274 65 S C 0.598 175.284 174.600 0.144 0.000 1.121 65 S CA -0.761 57.446 58.200 0.011 0.000 0.887 65 S CB 1.880 64.860 63.200 -0.367 0.000 1.094 65 S HN 0.663 nan 8.310 nan 0.000 0.474 66 M N 2.029 121.728 119.600 0.166 0.000 2.476 66 M HA 0.036 4.515 4.480 -0.001 0.000 0.262 66 M C 0.221 176.609 176.300 0.147 0.000 1.079 66 M CA 1.084 56.481 55.300 0.162 0.000 1.104 66 M CB -0.437 32.180 32.600 0.028 0.000 1.409 66 M HN 0.729 nan 8.290 nan 0.000 0.467 67 E N -0.527 119.682 120.200 0.015 0.000 2.272 67 E HA 0.479 4.829 4.350 -0.001 0.000 0.269 67 E C -1.390 175.116 176.600 -0.157 0.000 0.877 67 E CA -0.644 55.765 56.400 0.015 0.000 0.755 67 E CB 1.301 30.957 29.700 -0.073 0.000 1.192 67 E HN -0.036 nan 8.360 nan 0.000 0.422 68 F N 2.401 122.386 119.950 0.059 0.000 2.430 68 F HA 0.271 4.798 4.527 -0.000 0.000 0.362 68 F C -0.572 175.201 175.800 -0.044 0.000 1.103 68 F CA -0.945 57.069 58.000 0.022 0.000 1.045 68 F CB 1.508 40.521 39.000 0.022 0.000 1.276 68 F HN 0.432 nan 8.300 nan 0.000 0.444 69 L N 6.145 127.409 121.223 0.069 0.000 2.466 69 L HA 0.326 4.666 4.340 -0.001 0.000 0.248 69 L C 1.210 178.086 176.870 0.010 0.000 1.240 69 L CA 0.297 55.136 54.840 -0.001 0.000 1.180 69 L CB -0.578 41.472 42.059 -0.015 0.000 1.413 69 L HN 0.659 nan 8.230 nan 0.000 0.406 70 I N -0.481 120.079 120.570 -0.016 0.000 2.546 70 I HA 0.316 4.485 4.170 -0.001 0.000 0.255 70 I C 1.248 177.315 176.117 -0.083 0.000 1.163 70 I CA 0.499 61.778 61.300 -0.035 0.000 1.457 70 I CB -0.865 37.090 38.000 -0.075 0.000 1.092 70 I HN 0.549 nan 8.210 nan 0.000 0.434 71 G N 1.575 110.307 108.800 -0.113 0.000 2.796 71 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.571 71 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.571 71 G C -0.394 174.450 174.900 -0.095 0.000 1.370 71 G CA -0.426 44.603 45.100 -0.118 0.000 0.856 71 G HN 0.548 nan 8.290 nan 0.000 0.538 72 R N -0.493 119.974 120.500 -0.055 0.000 2.537 72 R HA 0.220 4.560 4.340 -0.001 0.000 0.281 72 R C 1.449 177.772 176.300 0.038 0.000 0.988 72 R CA 0.206 56.332 56.100 0.043 0.000 1.077 72 R CB 0.191 30.514 30.300 0.039 0.000 0.932 72 R HN 0.442 nan 8.270 nan 0.000 0.409 73 L N 1.626 122.928 121.223 0.131 0.000 2.408 73 L HA -0.021 4.318 4.340 -0.001 0.000 0.215 73 L C 1.875 178.712 176.870 -0.054 0.000 1.081 73 L CA 0.630 55.432 54.840 -0.063 0.000 0.840 73 L CB -0.026 41.871 42.059 -0.269 0.000 1.002 73 L HN 0.722 nan 8.230 nan 0.000 0.468 74 T N 0.080 114.817 114.554 0.305 0.000 2.777 74 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 74 T C 1.839 176.709 174.700 0.283 0.000 1.040 74 T CA 1.502 63.891 62.100 0.481 0.000 1.141 74 T CB -0.337 68.973 68.868 0.738 0.000 0.868 74 T HN 0.506 nan 8.240 nan 0.000 0.444 75 G N 1.301 110.248 108.800 0.245 0.000 2.404 75 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.215 75 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.215 75 G C 1.480 176.480 174.900 0.168 0.000 1.174 75 G CA 1.149 46.400 45.100 0.252 0.000 0.780 75 G HN 0.573 nan 8.290 nan 0.000 0.537 76 N N 0.730 119.450 118.700 0.034 0.000 2.166 76 N HA -0.125 4.614 4.740 -0.001 0.000 0.186 76 N C 2.018 177.482 175.510 -0.078 0.000 1.019 76 N CA 1.610 54.629 53.050 -0.051 0.000 0.856 76 N CB -0.172 38.240 38.487 -0.123 0.000 0.993 76 N HN 0.157 nan 8.380 nan 0.000 0.426 77 N N 0.276 118.893 118.700 -0.138 0.000 2.142 77 N HA -0.062 4.677 4.740 -0.001 0.000 0.186 77 N C 1.630 177.076 175.510 -0.106 0.000 1.023 77 N CA 0.769 53.687 53.050 -0.219 0.000 0.852 77 N CB -0.405 37.791 38.487 -0.485 0.000 0.998 77 N HN 0.296 nan 8.380 nan 0.000 0.424 78 L N 0.509 121.759 121.223 0.046 0.000 1.990 78 L HA -0.180 4.160 4.340 -0.001 0.000 0.213 78 L C 2.361 179.294 176.870 0.105 0.000 1.072 78 L CA 0.979 55.892 54.840 0.122 0.000 0.755 78 L CB -0.558 41.623 42.059 0.203 0.000 0.889 78 L HN 0.180 nan 8.230 nan 0.000 0.432 79 L N -0.113 121.197 121.223 0.146 0.000 2.012 79 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 79 L C 2.310 179.174 176.870 -0.009 0.000 1.073 79 L CA 1.693 56.578 54.840 0.075 0.000 0.748 79 L CB -0.344 41.730 42.059 0.025 0.000 0.891 79 L HN 0.298 nan 8.230 nan 0.000 0.431 80 N N -0.292 118.378 118.700 -0.049 0.000 2.244 80 N HA -0.109 4.631 4.740 -0.001 0.000 0.183 80 N C 1.802 177.141 175.510 -0.285 0.000 1.016 80 N CA 1.290 54.283 53.050 -0.095 0.000 0.866 80 N CB -0.287 38.160 38.487 -0.068 0.000 0.980 80 N HN 0.358 nan 8.380 nan 0.000 0.430 81 L N -0.559 120.460 121.223 -0.342 0.000 2.291 81 L HA 0.061 4.400 4.340 -0.001 0.000 0.214 81 L C 1.061 177.692 176.870 -0.399 0.000 1.120 81 L CA 0.602 55.101 54.840 -0.568 0.000 0.799 81 L CB -0.464 40.927 42.059 -1.114 0.000 0.925 81 L HN 0.247 nan 8.230 nan 0.000 0.446 82 G N -1.485 107.206 108.800 -0.181 0.000 2.198 82 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.257 82 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.257 82 G C 0.025 175.088 174.900 0.272 0.000 1.042 82 G CA 0.070 45.177 45.100 0.012 0.000 0.791 82 G HN 0.362 nan 8.290 nan 0.000 0.502 83 W N -1.311 119.963 121.300 -0.043 0.000 3.127 83 W HA 0.383 5.043 4.660 -0.001 0.000 0.344 83 W C 1.630 178.022 176.519 -0.211 0.000 1.151 83 W CA -0.747 56.501 57.345 -0.161 0.000 1.765 83 W CB -0.824 28.576 29.460 -0.101 0.000 1.085 83 W HN 0.375 nan 8.180 nan 0.000 0.596 84 Y N 2.029 122.352 120.300 0.039 0.000 2.070 84 Y HA -0.370 4.180 4.550 -0.001 0.000 0.280 84 Y C 2.732 178.576 175.900 -0.094 0.000 1.148 84 Y CA 3.003 61.092 58.100 -0.019 0.000 1.125 84 Y CB -0.546 37.913 38.460 -0.001 0.000 0.975 84 Y HN 0.015 nan 8.280 nan 0.000 0.492 85 Q N 0.250 120.144 119.800 0.157 0.000 2.119 85 Q HA -0.174 4.166 4.340 -0.001 0.000 0.201 85 Q C 1.691 177.599 176.000 -0.154 0.000 0.972 85 Q CA 2.110 57.942 55.803 0.048 0.000 0.847 85 Q CB -0.283 28.488 28.738 0.054 0.000 0.903 85 Q HN 0.466 nan 8.270 nan 0.000 0.433 86 D N -0.722 119.489 120.400 -0.314 0.000 2.097 86 D HA -0.129 4.510 4.640 -0.001 0.000 0.195 86 D C 1.906 177.796 176.300 -0.683 0.000 0.989 86 D CA 1.473 55.136 54.000 -0.562 0.000 0.827 86 D CB -0.163 40.001 40.800 -1.060 0.000 0.966 86 D HN 0.186 nan 8.370 nan 0.000 0.456 87 V N 0.969 120.404 119.914 -0.799 0.000 2.343 87 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 87 V C 2.633 178.499 176.094 -0.381 0.000 1.051 87 V CA 1.693 63.575 62.300 -0.698 0.000 1.036 87 V CB -0.583 30.900 31.823 -0.567 0.000 0.654 87 V HN 0.200 nan 8.190 nan 0.000 0.451 88 Q N -0.344 119.268 119.800 -0.314 0.000 2.096 88 Q HA -0.271 4.069 4.340 -0.001 0.000 0.204 88 Q C 1.941 177.882 176.000 -0.099 0.000 0.982 88 Q CA 2.164 57.859 55.803 -0.179 0.000 0.850 88 Q CB -0.092 28.579 28.738 -0.111 0.000 0.901 88 Q HN 0.653 nan 8.270 nan 0.000 0.422 89 D N -0.600 119.733 120.400 -0.112 0.000 2.097 89 D HA -0.079 4.560 4.640 -0.001 0.000 0.197 89 D C 1.984 178.282 176.300 -0.002 0.000 0.984 89 D CA 1.196 55.165 54.000 -0.052 0.000 0.826 89 D CB -0.267 40.498 40.800 -0.058 0.000 0.973 89 D HN 0.109 nan 8.370 nan 0.000 0.460 90 S N 0.097 115.785 115.700 -0.019 0.000 2.419 90 S HA -0.033 4.437 4.470 -0.001 0.000 0.233 90 S C 1.959 176.736 174.600 0.295 0.000 1.016 90 S CA 0.458 58.745 58.200 0.145 0.000 0.974 90 S CB -0.015 63.279 63.200 0.157 0.000 0.786 90 S HN 0.253 nan 8.310 nan 0.000 0.492 91 L N 0.354 121.691 121.223 0.190 0.000 2.477 91 L HA 0.149 4.489 4.340 -0.001 0.000 0.220 91 L C 2.319 179.297 176.870 0.180 0.000 1.106 91 L CA 0.408 55.402 54.840 0.258 0.000 0.851 91 L CB -0.133 41.969 42.059 0.071 0.000 0.994 91 L HN 0.108 nan 8.230 nan 0.000 0.462 92 K N 0.717 121.174 120.400 0.096 0.000 2.147 92 K HA -0.095 4.224 4.320 -0.001 0.000 0.205 92 K C 2.022 178.650 176.600 0.047 0.000 1.049 92 K CA 1.274 57.588 56.287 0.045 0.000 0.936 92 K CB -0.043 32.469 32.500 0.020 0.000 0.722 92 K HN 0.253 nan 8.250 nan 0.000 0.446 93 A N -0.144 122.708 122.820 0.054 0.000 2.125 93 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 93 A C 1.184 178.669 177.584 -0.165 0.000 1.156 93 A CA 1.143 53.139 52.037 -0.068 0.000 0.671 93 A CB -0.417 18.500 19.000 -0.138 0.000 0.794 93 A HN 0.321 nan 8.150 nan 0.000 0.459 94 Y N -0.781 119.545 120.300 0.043 0.000 2.467 94 Y HA 0.158 4.708 4.550 -0.001 0.000 0.250 94 Y C 0.083 175.954 175.900 -0.049 0.000 1.155 94 Y CA -0.307 57.823 58.100 0.050 0.000 1.249 94 Y CB 0.486 39.015 38.460 0.115 0.000 1.146 94 Y HN 0.308 nan 8.280 nan 0.000 0.524 95 D N 0.641 121.074 120.400 0.054 0.000 2.800 95 D HA -0.168 4.472 4.640 -0.001 0.000 0.232 95 D C -0.685 175.554 176.300 -0.102 0.000 1.137 95 D CA 0.678 54.669 54.000 -0.015 0.000 0.718 95 D CB -1.014 39.785 40.800 -0.002 0.000 1.084 95 D HN 0.179 nan 8.370 nan 0.000 0.432 96 I N 0.853 121.335 120.570 -0.147 0.000 2.404 96 I HA 0.196 4.366 4.170 -0.001 0.000 0.293 96 I C 0.729 176.759 176.117 -0.146 0.000 0.992 96 I CA -0.634 60.499 61.300 -0.279 0.000 1.149 96 I CB 1.589 39.220 38.000 -0.615 0.000 1.315 96 I HN -0.133 nan 8.210 nan 0.000 0.446 97 N N 4.600 123.229 118.700 -0.118 0.000 2.437 97 N HA 0.145 4.884 4.740 -0.001 0.000 0.243 97 N C 0.920 176.405 175.510 -0.042 0.000 1.041 97 N CA -0.433 52.583 53.050 -0.055 0.000 0.940 97 N CB 0.862 39.332 38.487 -0.029 0.000 1.133 97 N HN 0.530 nan 8.380 nan 0.000 0.506 98 L N 3.467 124.667 121.223 -0.039 0.000 2.042 98 L HA -0.134 4.206 4.340 -0.001 0.000 0.210 98 L C 1.758 178.643 176.870 0.026 0.000 1.076 98 L CA 1.980 56.794 54.840 -0.043 0.000 0.749 98 L CB -0.944 41.023 42.059 -0.153 0.000 0.893 98 L HN 0.637 nan 8.230 nan 0.000 0.432 99 T N -0.463 114.130 114.554 0.065 0.000 2.708 99 T HA -0.154 4.195 4.350 -0.001 0.000 0.266 99 T C 1.446 176.193 174.700 0.078 0.000 1.037 99 T CA 1.547 63.710 62.100 0.105 0.000 1.146 99 T CB -0.332 68.600 68.868 0.107 0.000 0.865 99 T HN 0.404 nan 8.240 nan 0.000 0.435 100 D N 1.058 121.489 120.400 0.052 0.000 2.117 100 D HA -0.039 4.600 4.640 -0.001 0.000 0.197 100 D C 2.045 178.382 176.300 0.062 0.000 0.987 100 D CA 0.529 54.557 54.000 0.047 0.000 0.829 100 D CB -0.565 40.250 40.800 0.024 0.000 0.961 100 D HN 0.280 nan 8.370 nan 0.000 0.460 101 L N 0.283 121.547 121.223 0.069 0.000 2.083 101 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 101 L C 2.094 179.090 176.870 0.211 0.000 1.083 101 L CA 1.022 55.949 54.840 0.145 0.000 0.752 101 L CB -0.107 42.036 42.059 0.141 0.000 0.899 101 L HN 0.002 nan 8.230 nan 0.000 0.433 102 L N -0.412 120.916 121.223 0.175 0.000 2.275 102 L HA -0.124 4.215 4.340 -0.001 0.000 0.215 102 L C 2.419 179.298 176.870 0.015 0.000 1.119 102 L CA 0.596 55.542 54.840 0.176 0.000 0.790 102 L CB -0.571 41.598 42.059 0.183 0.000 0.919 102 L HN 0.325 nan 8.230 nan 0.000 0.443 103 E N 0.046 120.254 120.200 0.014 0.000 2.338 103 E HA -0.155 4.194 4.350 -0.001 0.000 0.197 103 E C 1.765 178.312 176.600 -0.089 0.000 1.007 103 E CA 0.500 56.889 56.400 -0.018 0.000 0.849 103 E CB 0.036 29.756 29.700 0.034 0.000 0.774 103 E HN 0.480 nan 8.360 nan 0.000 0.506 104 E N 0.993 121.106 120.200 -0.144 0.000 2.268 104 E HA -0.113 4.237 4.350 -0.001 0.000 0.195 104 E C 0.695 176.981 176.600 -0.524 0.000 0.995 104 E CA 0.256 56.530 56.400 -0.209 0.000 0.836 104 E CB -0.114 29.558 29.700 -0.046 0.000 0.763 104 E HN 0.375 nan 8.360 nan 0.000 0.491 105 E N 1.172 120.848 120.200 -0.874 0.000 2.328 105 E HA 0.038 4.387 4.350 -0.001 0.000 0.265 105 E C -0.368 176.038 176.600 -0.323 0.000 1.057 105 E CA -0.163 55.647 56.400 -0.984 0.000 0.916 105 E CB 0.263 29.555 29.700 -0.680 0.000 0.993 105 E HN 0.007 nan 8.360 nan 0.000 0.446 106 I N 4.863 125.333 120.570 -0.167 0.000 2.452 106 I HA -0.025 4.144 4.170 -0.001 0.000 0.287 106 I C 0.051 176.195 176.117 0.045 0.000 1.079 106 I CA -0.348 60.953 61.300 0.001 0.000 1.387 106 I CB 0.497 38.552 38.000 0.092 0.000 1.404 106 I HN 0.523 nan 8.210 nan 0.000 0.522 107 D N 9.213 129.595 120.400 -0.029 0.000 2.531 107 D HA 0.025 4.665 4.640 -0.001 0.000 0.239 107 D C -2.250 173.903 176.300 -0.245 0.000 1.144 107 D CA -0.497 53.440 54.000 -0.104 0.000 0.869 107 D CB 0.124 40.843 40.800 -0.134 0.000 1.160 107 D HN 0.231 nan 8.370 nan 0.000 0.484 108 P HA 0.037 nan 4.420 nan 0.000 0.258 108 P C -0.744 175.915 177.300 -1.068 0.000 1.187 108 P CA 0.080 62.425 63.100 -1.258 0.000 0.767 108 P CB 0.376 31.338 31.700 -1.229 0.000 0.770 109 A N 4.690 126.713 122.820 -1.327 0.000 2.981 109 A HA 0.162 4.482 4.320 -0.001 0.000 0.280 109 A C 0.649 177.996 177.584 -0.394 0.000 1.743 109 A CA 0.209 51.891 52.037 -0.592 0.000 1.430 109 A CB -1.146 17.710 19.000 -0.240 0.000 1.085 109 A HN 0.628 nan 8.150 nan 0.000 0.597 110 L N 0.969 122.011 121.223 -0.300 0.000 3.135 110 L HA 0.381 4.720 4.340 -0.001 0.000 0.279 110 L C 0.900 177.781 176.870 0.019 0.000 1.200 110 L CA 0.196 55.011 54.840 -0.042 0.000 1.016 110 L CB 0.697 42.691 42.059 -0.109 0.000 1.391 110 L HN 0.679 nan 8.230 nan 0.000 0.588 111 G N -1.147 107.594 108.800 -0.098 0.000 2.649 111 G HA2 0.232 4.191 3.960 -0.001 0.000 0.290 111 G HA3 0.232 4.191 3.960 -0.001 0.000 0.290 111 G C -0.585 174.247 174.900 -0.114 0.000 1.426 111 G CA -0.149 44.897 45.100 -0.091 0.000 0.794 111 G HN -0.182 nan 8.290 nan 0.000 0.483 112 N N -1.677 117.000 118.700 -0.038 0.000 2.677 112 N HA 0.347 5.087 4.740 -0.001 0.000 0.242 112 N C 0.948 176.488 175.510 0.050 0.000 1.044 112 N CA 1.379 54.444 53.050 0.024 0.000 0.934 112 N CB 0.936 39.537 38.487 0.190 0.000 1.595 112 N HN 0.930 nan 8.380 nan 0.000 0.459 113 G N -1.460 107.384 108.800 0.074 0.000 3.039 113 G HA2 0.381 4.341 3.960 -0.001 0.000 0.202 113 G HA3 0.381 4.341 3.960 -0.001 0.000 0.202 113 G C 0.603 175.523 174.900 0.032 0.000 1.151 113 G CA 0.136 45.278 45.100 0.070 0.000 0.836 113 G HN 0.218 nan 8.290 nan 0.000 0.598 114 G N -0.098 108.718 108.800 0.027 0.000 2.442 114 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.219 114 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.219 114 G C 1.772 176.636 174.900 -0.061 0.000 1.141 114 G CA 1.678 46.770 45.100 -0.014 0.000 0.763 114 G HN 0.620 nan 8.290 nan 0.000 0.554 115 L N 1.496 122.671 121.223 -0.080 0.000 2.027 115 L HA 0.201 4.540 4.340 -0.001 0.000 0.206 115 L C 2.754 179.524 176.870 -0.168 0.000 1.074 115 L CA 2.422 57.139 54.840 -0.206 0.000 0.745 115 L CB -1.117 40.792 42.059 -0.249 0.000 0.898 115 L HN 0.135 nan 8.230 nan 0.000 0.433 116 G N -0.709 108.034 108.800 -0.095 0.000 2.491 116 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.218 116 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.218 116 G C 1.768 176.619 174.900 -0.082 0.000 1.180 116 G CA 0.961 45.999 45.100 -0.103 0.000 0.774 116 G HN 0.372 nan 8.290 nan 0.000 0.562 117 R N 0.026 120.499 120.500 -0.046 0.000 2.115 117 R HA 0.155 4.495 4.340 -0.001 0.000 0.226 117 R C 2.403 178.674 176.300 -0.049 0.000 1.100 117 R CA 0.852 56.955 56.100 0.005 0.000 0.980 117 R CB -0.953 29.368 30.300 0.036 0.000 0.875 117 R HN 0.358 nan 8.270 nan 0.000 0.445 118 L N 0.117 121.241 121.223 -0.165 0.000 2.046 118 L HA -0.029 4.310 4.340 -0.001 0.000 0.208 118 L C 2.050 178.616 176.870 -0.506 0.000 1.077 118 L CA 2.156 56.756 54.840 -0.401 0.000 0.747 118 L CB -0.710 41.091 42.059 -0.431 0.000 0.896 118 L HN 0.237 nan 8.230 nan 0.000 0.432 119 A N -0.577 122.079 122.820 -0.273 0.000 1.902 119 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 119 A C 2.451 180.055 177.584 0.033 0.000 1.181 119 A CA 1.716 53.650 52.037 -0.173 0.000 0.623 119 A CB -1.159 17.625 19.000 -0.359 0.000 0.818 119 A HN 0.565 nan 8.150 nan 0.000 0.443 120 A N -0.850 122.027 122.820 0.095 0.000 1.877 120 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 120 A C 2.343 179.996 177.584 0.115 0.000 1.186 120 A CA 1.750 53.884 52.037 0.161 0.000 0.620 120 A CB -1.373 17.701 19.000 0.125 0.000 0.822 120 A HN 0.597 nan 8.150 nan 0.000 0.443 121 C N -1.540 117.822 119.300 0.103 0.000 2.413 121 C HA -0.098 4.361 4.460 -0.001 0.000 0.276 121 C C 2.465 177.617 174.990 0.270 0.000 1.236 121 C CA 0.845 59.968 59.018 0.175 0.000 1.735 121 C CB -1.635 26.212 27.740 0.180 0.000 2.031 121 C HN 0.612 nan 8.230 nan 0.000 0.474 122 F N 1.073 121.020 119.950 -0.006 0.000 2.126 122 F HA -0.088 4.438 4.527 -0.002 0.000 0.299 122 F C 2.261 178.007 175.800 -0.091 0.000 1.096 122 F CA 0.998 58.951 58.000 -0.079 0.000 1.255 122 F CB -1.456 37.375 39.000 -0.281 0.000 0.997 122 F HN 0.209 nan 8.300 nan 0.000 0.479 123 L N -0.353 120.943 121.223 0.122 0.000 2.012 123 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 123 L C 2.454 179.343 176.870 0.031 0.000 1.073 123 L CA 1.982 56.851 54.840 0.047 0.000 0.748 123 L CB -0.751 41.344 42.059 0.060 0.000 0.891 123 L HN 0.176 nan 8.230 nan 0.000 0.431 124 D N -0.305 120.127 120.400 0.053 0.000 2.097 124 D HA -0.171 4.468 4.640 -0.001 0.000 0.195 124 D C 2.062 178.385 176.300 0.038 0.000 0.989 124 D CA 1.705 55.722 54.000 0.027 0.000 0.827 124 D CB 0.302 41.120 40.800 0.029 0.000 0.966 124 D HN 0.232 nan 8.370 nan 0.000 0.456 125 S N 0.048 115.794 115.700 0.077 0.000 2.368 125 S HA -0.109 4.361 4.470 -0.001 0.000 0.225 125 S C 2.158 176.776 174.600 0.031 0.000 1.030 125 S CA 0.966 59.203 58.200 0.062 0.000 0.999 125 S CB -0.155 63.101 63.200 0.095 0.000 0.844 125 S HN 0.369 nan 8.310 nan 0.000 0.459 126 M N 0.993 120.603 119.600 0.018 0.000 2.175 126 M HA -0.068 4.412 4.480 -0.001 0.000 0.264 126 M C 2.494 178.782 176.300 -0.020 0.000 1.063 126 M CA 1.302 56.598 55.300 -0.007 0.000 1.119 126 M CB -0.604 31.964 32.600 -0.052 0.000 1.377 126 M HN 0.392 nan 8.290 nan 0.000 0.415 127 A N -0.045 122.761 122.820 -0.023 0.000 1.898 127 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 127 A C 2.205 179.775 177.584 -0.024 0.000 1.181 127 A CA 2.103 54.119 52.037 -0.034 0.000 0.620 127 A CB -1.047 17.926 19.000 -0.045 0.000 0.819 127 A HN 0.412 nan 8.150 nan 0.000 0.442 128 T N -0.259 114.295 114.554 0.000 0.000 2.867 128 T HA -0.054 4.295 4.350 -0.001 0.000 0.268 128 T C 1.682 176.391 174.700 0.015 0.000 1.057 128 T CA 1.663 63.776 62.100 0.022 0.000 1.136 128 T CB -0.334 68.560 68.868 0.043 0.000 0.874 128 T HN 0.607 nan 8.240 nan 0.000 0.466 129 V N -1.036 118.884 119.914 0.010 0.000 3.649 129 V HA 0.543 4.662 4.120 -0.001 0.000 0.275 129 V C 1.486 177.582 176.094 0.002 0.000 1.281 129 V CA 0.246 62.553 62.300 0.011 0.000 1.143 129 V CB -0.979 30.856 31.823 0.020 0.000 0.892 129 V HN 0.476 nan 8.190 nan 0.000 0.441 130 G N 0.815 109.607 108.800 -0.012 0.000 2.198 130 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.260 130 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.260 130 G C 0.115 175.011 174.900 -0.006 0.000 1.025 130 G CA 0.618 45.704 45.100 -0.022 0.000 0.769 130 G HN 0.953 nan 8.290 nan 0.000 0.507 131 Q N 1.067 120.866 119.800 -0.002 0.000 2.344 131 Q HA 0.554 4.894 4.340 -0.001 0.000 0.253 131 Q C 0.708 176.680 176.000 -0.046 0.000 1.050 131 Q CA 0.291 56.090 55.803 -0.006 0.000 0.912 131 Q CB 0.537 29.285 28.738 0.016 0.000 1.258 131 Q HN 0.431 nan 8.270 nan 0.000 0.443 132 S N 3.170 118.864 115.700 -0.010 0.000 2.673 132 S HA 0.393 4.863 4.470 -0.001 0.000 0.308 132 S C -0.798 173.644 174.600 -0.264 0.000 1.246 132 S CA 0.574 58.792 58.200 0.030 0.000 1.077 132 S CB -0.586 62.745 63.200 0.217 0.000 0.814 132 S HN 0.763 nan 8.310 nan 0.000 0.503 133 A N 4.418 127.061 122.820 -0.296 0.000 2.612 133 A HA 0.695 5.015 4.320 -0.001 0.000 0.293 133 A C -0.692 176.756 177.584 -0.227 0.000 1.075 133 A CA -0.799 50.891 52.037 -0.579 0.000 0.680 133 A CB 1.702 20.487 19.000 -0.359 0.000 1.279 133 A HN 0.623 nan 8.150 nan 0.000 0.411 134 T N 1.004 115.440 114.554 -0.197 0.000 2.840 134 T HA 0.616 4.965 4.350 -0.001 0.000 0.287 134 T C 0.294 174.845 174.700 -0.248 0.000 0.991 134 T CA 0.129 62.113 62.100 -0.193 0.000 0.964 134 T CB 1.575 70.300 68.868 -0.238 0.000 0.954 134 T HN 1.301 nan 8.240 nan 0.000 0.438 135 G N 1.664 110.317 108.800 -0.246 0.000 2.432 135 G HA2 0.495 4.454 3.960 -0.001 0.000 0.257 135 G HA3 0.495 4.454 3.960 -0.001 0.000 0.257 135 G C -1.356 173.333 174.900 -0.352 0.000 1.238 135 G CA -0.138 44.892 45.100 -0.117 0.000 0.838 135 G HN 0.623 nan 8.290 nan 0.000 0.547 136 Y N 0.967 121.388 120.300 0.202 0.000 2.338 136 Y HA 0.580 5.130 4.550 -0.001 0.000 0.328 136 Y C 0.766 176.894 175.900 0.380 0.000 0.965 136 Y CA -0.183 58.036 58.100 0.198 0.000 1.208 136 Y CB 2.206 40.847 38.460 0.301 0.000 1.132 136 Y HN 0.823 nan 8.280 nan 0.000 0.469 137 G N 2.298 111.313 108.800 0.358 0.000 3.135 137 G HA2 0.760 4.719 3.960 -0.001 0.000 0.278 137 G HA3 0.760 4.719 3.960 -0.001 0.000 0.278 137 G C -1.757 173.283 174.900 0.234 0.000 1.302 137 G CA -0.972 44.386 45.100 0.430 0.000 0.880 137 G HN 0.401 nan 8.290 nan 0.000 0.574 138 L N 0.071 121.326 121.223 0.052 0.000 2.354 138 L HA 0.441 4.780 4.340 -0.001 0.000 0.269 138 L C -0.129 176.503 176.870 -0.396 0.000 1.005 138 L CA -0.699 54.036 54.840 -0.174 0.000 0.819 138 L CB 2.408 44.202 42.059 -0.443 0.000 1.311 138 L HN 0.591 nan 8.230 nan 0.000 0.423 139 N N 1.705 120.296 118.700 -0.181 0.000 3.083 139 N HA 0.179 4.918 4.740 -0.001 0.000 0.260 139 N C -1.178 174.325 175.510 -0.012 0.000 1.163 139 N CA -0.553 52.480 53.050 -0.028 0.000 1.060 139 N CB 0.252 38.735 38.487 -0.005 0.000 1.345 139 N HN 0.360 nan 8.380 nan 0.000 0.515 140 Y N 1.252 121.677 120.300 0.208 0.000 2.632 140 Y HA -0.081 4.468 4.550 -0.001 0.000 0.329 140 Y C 1.798 177.840 175.900 0.237 0.000 1.174 140 Y CA 0.140 58.344 58.100 0.173 0.000 1.469 140 Y CB 0.578 39.116 38.460 0.130 0.000 1.242 140 Y HN 0.482 nan 8.280 nan 0.000 0.540 141 Q N 2.076 121.962 119.800 0.143 0.000 2.084 141 Q HA -0.183 4.157 4.340 -0.001 0.000 0.202 141 Q C 0.096 175.995 176.000 -0.169 0.000 0.978 141 Q CA 1.728 57.384 55.803 -0.244 0.000 0.844 141 Q CB 0.064 28.414 28.738 -0.646 0.000 0.898 141 Q HN 0.867 nan 8.270 nan 0.000 0.426 142 Y N -1.342 119.124 120.300 0.277 0.000 2.675 142 Y HA 0.343 4.892 4.550 -0.001 0.000 0.248 142 Y C 0.870 176.865 175.900 0.157 0.000 1.161 142 Y CA 0.051 58.278 58.100 0.211 0.000 1.203 142 Y CB 0.847 39.384 38.460 0.128 0.000 1.262 142 Y HN 0.271 nan 8.280 nan 0.000 0.544 143 G N 0.987 109.942 108.800 0.258 0.000 2.566 143 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.280 143 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.280 143 G C 0.708 175.559 174.900 -0.082 0.000 1.225 143 G CA 0.579 45.691 45.100 0.020 0.000 0.966 143 G HN 0.289 nan 8.290 nan 0.000 0.560 144 L N 0.045 121.194 121.223 -0.123 0.000 2.013 144 L HA 0.612 4.952 4.340 -0.001 0.000 0.204 144 L C 1.009 177.969 176.870 0.152 0.000 1.081 144 L CA 2.879 57.674 54.840 -0.076 0.000 0.751 144 L CB -0.285 41.644 42.059 -0.217 0.000 0.901 144 L HN 1.308 nan 8.230 nan 0.000 0.440 145 F N -3.102 116.849 119.950 0.003 0.000 2.799 145 F HA 0.371 4.897 4.527 -0.001 0.000 0.316 145 F C -0.622 175.177 175.800 -0.001 0.000 1.155 145 F CA -1.516 56.487 58.000 0.006 0.000 0.916 145 F CB 0.571 39.569 39.000 -0.005 0.000 1.294 145 F HN -0.141 nan 8.300 nan 0.000 0.447 146 R N 2.313 122.956 120.500 0.237 0.000 2.202 146 R HA 0.316 4.656 4.340 -0.001 0.000 0.334 146 R C -0.740 175.711 176.300 0.252 0.000 1.036 146 R CA -0.397 55.780 56.100 0.128 0.000 0.878 146 R CB 1.060 31.409 30.300 0.081 0.000 1.067 146 R HN 0.881 nan 8.270 nan 0.000 0.457 147 Q N 2.955 122.855 119.800 0.165 0.000 2.286 147 Q HA 0.198 4.538 4.340 -0.001 0.000 0.257 147 Q C -1.041 174.861 176.000 -0.164 0.000 0.941 147 Q CA -0.191 55.683 55.803 0.118 0.000 0.912 147 Q CB 1.139 29.921 28.738 0.074 0.000 1.192 147 Q HN 0.825 nan 8.270 nan 0.000 0.410 148 S N 2.459 118.024 115.700 -0.226 0.000 2.667 148 S HA 0.733 5.203 4.470 -0.001 0.000 0.292 148 S C -1.085 173.285 174.600 -0.383 0.000 1.126 148 S CA -0.776 57.219 58.200 -0.340 0.000 0.881 148 S CB 1.012 64.132 63.200 -0.133 0.000 1.132 148 S HN 0.392 nan 8.310 nan 0.000 0.492 149 F N 0.267 120.188 119.950 -0.050 0.000 2.507 149 F HA 0.695 5.221 4.527 -0.001 0.000 0.325 149 F C -0.521 175.254 175.800 -0.042 0.000 1.116 149 F CA -1.308 56.649 58.000 -0.072 0.000 0.930 149 F CB 2.069 41.007 39.000 -0.104 0.000 1.146 149 F HN 0.423 nan 8.300 nan 0.000 0.447 150 V N 3.172 123.181 119.914 0.159 0.000 2.482 150 V HA 0.301 4.420 4.120 -0.001 0.000 0.295 150 V C -0.745 175.384 176.094 0.058 0.000 1.026 150 V CA -1.119 61.227 62.300 0.076 0.000 0.856 150 V CB 1.525 33.365 31.823 0.029 0.000 1.001 150 V HN 0.798 nan 8.190 nan 0.000 0.424 151 D N 4.228 124.667 120.400 0.065 0.000 2.772 151 D HA -0.203 4.436 4.640 -0.001 0.000 0.233 151 D C 1.330 177.717 176.300 0.145 0.000 1.143 151 D CA 1.664 55.712 54.000 0.081 0.000 0.700 151 D CB -1.119 39.709 40.800 0.045 0.000 1.076 151 D HN 1.438 nan 8.370 nan 0.000 0.430 152 G N -0.798 108.066 108.800 0.107 0.000 2.205 152 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.261 152 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.261 152 G C 0.304 175.243 174.900 0.065 0.000 0.980 152 G CA 0.884 46.034 45.100 0.083 0.000 0.632 152 G HN 0.510 nan 8.290 nan 0.000 0.533 153 K N 0.506 120.932 120.400 0.043 0.000 2.118 153 K HA 0.490 4.810 4.320 -0.001 0.000 0.254 153 K C 0.438 177.117 176.600 0.131 0.000 0.961 153 K CA -0.689 55.590 56.287 -0.013 0.000 0.876 153 K CB 1.431 33.817 32.500 -0.191 0.000 1.077 153 K HN 0.327 nan 8.250 nan 0.000 0.440 154 Q N 1.730 121.617 119.800 0.146 0.000 2.286 154 Q HA 0.059 4.398 4.340 -0.001 0.000 0.290 154 Q C -1.063 174.948 176.000 0.018 0.000 1.049 154 Q CA -0.012 55.898 55.803 0.179 0.000 0.923 154 Q CB 0.616 29.424 28.738 0.118 0.000 1.183 154 Q HN 0.303 nan 8.270 nan 0.000 0.383 155 V N 4.243 124.144 119.914 -0.022 0.000 2.555 155 V HA 0.300 4.419 4.120 -0.001 0.000 0.302 155 V C -0.958 175.044 176.094 -0.153 0.000 1.038 155 V CA -0.711 61.534 62.300 -0.091 0.000 0.887 155 V CB 1.973 33.764 31.823 -0.052 0.000 0.991 155 V HN 0.862 nan 8.190 nan 0.000 0.434 156 E N 2.890 122.933 120.200 -0.261 0.000 2.133 156 E HA 0.736 5.085 4.350 -0.001 0.000 0.274 156 E C -0.337 176.196 176.600 -0.113 0.000 0.930 156 E CA -0.127 56.054 56.400 -0.364 0.000 0.770 156 E CB 1.869 31.099 29.700 -0.783 0.000 1.104 156 E HN 0.881 nan 8.360 nan 0.000 0.403 157 A N 3.866 126.703 122.820 0.028 0.000 2.386 157 A HA 0.759 5.079 4.320 -0.001 0.000 0.308 157 A C -2.565 175.050 177.584 0.052 0.000 1.128 157 A CA -2.088 49.956 52.037 0.011 0.000 0.789 157 A CB 0.804 19.809 19.000 0.008 0.000 1.325 157 A HN 0.402 nan 8.150 nan 0.000 0.437 158 P HA 0.089 nan 4.420 nan 0.000 0.267 158 P C -0.891 176.467 177.300 0.096 0.000 1.209 158 P CA 0.253 63.316 63.100 -0.062 0.000 0.763 158 P CB 0.355 31.788 31.700 -0.444 0.000 0.816 159 D N 2.640 123.159 120.400 0.198 0.000 2.551 159 D HA 0.004 4.643 4.640 -0.001 0.000 0.223 159 D C -0.377 176.119 176.300 0.328 0.000 1.144 159 D CA 0.054 54.174 54.000 0.201 0.000 1.025 159 D CB -0.657 40.220 40.800 0.129 0.000 1.085 159 D HN 0.164 nan 8.370 nan 0.000 0.506 160 D N 2.505 123.070 120.400 0.274 0.000 2.339 160 D HA -0.045 4.595 4.640 -0.001 0.000 0.256 160 D C 0.781 177.067 176.300 -0.023 0.000 1.214 160 D CA -0.375 53.740 54.000 0.192 0.000 0.877 160 D CB 0.302 41.178 40.800 0.127 0.000 1.111 160 D HN 0.492 nan 8.370 nan 0.000 0.478 161 W N 4.559 125.738 121.300 -0.202 0.000 3.005 161 W HA 0.160 4.820 4.660 -0.000 0.000 0.374 161 W C -0.490 175.981 176.519 -0.080 0.000 1.076 161 W CA -0.328 56.906 57.345 -0.184 0.000 1.794 161 W CB -0.915 28.499 29.460 -0.076 0.000 1.113 161 W HN 0.419 nan 8.180 nan 0.000 0.584 162 H N 1.001 119.944 119.070 -0.211 0.000 2.819 162 H HA -0.212 4.344 4.556 -0.001 0.000 0.315 162 H C 1.763 176.818 175.328 -0.455 0.000 1.242 162 H CA 1.289 57.205 56.048 -0.220 0.000 1.157 162 H CB -1.958 27.821 29.762 0.028 0.000 1.451 162 H HN 0.378 nan 8.280 nan 0.000 0.430 163 R N 1.135 121.044 120.500 -0.985 0.000 2.112 163 R HA -0.186 4.153 4.340 -0.001 0.000 0.242 163 R C 2.098 178.089 176.300 -0.514 0.000 1.137 163 R CA 2.518 57.837 56.100 -1.302 0.000 0.944 163 R CB -0.125 29.434 30.300 -1.235 0.000 0.857 163 R HN 0.429 nan 8.270 nan 0.000 0.435 164 S N -0.295 115.138 115.700 -0.445 0.000 2.507 164 S HA -0.012 4.458 4.470 -0.001 0.000 0.235 164 S C 1.156 175.726 174.600 -0.050 0.000 0.988 164 S CA 0.855 58.843 58.200 -0.354 0.000 0.944 164 S CB -0.048 62.973 63.200 -0.298 0.000 0.762 164 S HN 0.403 nan 8.310 nan 0.000 0.526 165 N N 0.070 118.789 118.700 0.033 0.000 2.204 165 N HA 0.152 4.891 4.740 -0.001 0.000 0.219 165 N C -0.916 174.734 175.510 0.233 0.000 1.151 165 N CA -0.171 52.955 53.050 0.127 0.000 0.867 165 N CB 0.259 38.792 38.487 0.077 0.000 1.043 165 N HN 0.475 nan 8.380 nan 0.000 0.516 166 Y N 4.159 124.592 120.300 0.221 0.000 2.496 166 Y HA 0.126 4.676 4.550 -0.001 0.000 0.334 166 Y C -1.266 174.784 175.900 0.250 0.000 1.080 166 Y CA -1.504 56.785 58.100 0.315 0.000 1.355 166 Y CB 0.996 39.684 38.460 0.380 0.000 1.193 166 Y HN 0.072 nan 8.280 nan 0.000 0.523 167 P HA -0.121 nan 4.420 nan 0.000 0.233 167 P C 0.451 177.451 177.300 -0.500 0.000 1.167 167 P CA 1.227 64.045 63.100 -0.471 0.000 0.770 167 P CB -0.008 31.219 31.700 -0.787 0.000 0.837 168 W N -1.388 119.710 121.300 -0.338 0.000 3.047 168 W HA 0.172 4.831 4.660 -0.001 0.000 0.250 168 W C 0.615 177.199 176.519 0.108 0.000 1.314 168 W CA -0.616 56.673 57.345 -0.093 0.000 1.540 168 W CB -0.420 29.006 29.460 -0.058 0.000 1.127 168 W HN -0.246 nan 8.180 nan 0.000 0.679 169 F N 1.716 121.907 119.950 0.400 0.000 2.471 169 F HA 0.246 4.773 4.527 -0.001 0.000 0.353 169 F C 1.056 176.989 175.800 0.222 0.000 1.113 169 F CA -0.473 57.768 58.000 0.403 0.000 1.262 169 F CB 0.422 39.775 39.000 0.588 0.000 1.146 169 F HN -0.313 nan 8.300 nan 0.000 0.578 170 R N 1.336 122.072 120.500 0.392 0.000 2.732 170 R HA 0.433 4.773 4.340 -0.001 0.000 0.278 170 R C -1.444 174.808 176.300 -0.080 0.000 0.976 170 R CA -1.069 55.102 56.100 0.119 0.000 0.963 170 R CB 1.876 32.207 30.300 0.053 0.000 1.150 170 R HN 0.586 nan 8.270 nan 0.000 0.478 171 H N 1.184 119.998 119.070 -0.426 0.000 3.013 171 H HA 0.226 4.782 4.556 -0.001 0.000 0.326 171 H C -1.450 173.616 175.328 -0.437 0.000 0.973 171 H CA -0.845 54.764 56.048 -0.733 0.000 1.369 171 H CB 0.793 29.627 29.762 -1.545 0.000 1.598 171 H HN 0.418 nan 8.280 nan 0.000 0.518 172 N N 3.529 121.877 118.700 -0.586 0.000 2.462 172 N HA 0.050 4.789 4.740 -0.001 0.000 0.242 172 N C 0.815 175.965 175.510 -0.601 0.000 1.010 172 N CA -0.231 52.520 53.050 -0.498 0.000 0.939 172 N CB 0.789 39.130 38.487 -0.244 0.000 1.127 172 N HN 0.908 nan 8.380 nan 0.000 0.509 173 E N 2.621 122.399 120.200 -0.703 0.000 2.265 173 E HA -0.156 4.193 4.350 -0.001 0.000 0.196 173 E C 1.187 177.692 176.600 -0.157 0.000 0.996 173 E CA 1.111 57.268 56.400 -0.405 0.000 0.832 173 E CB -0.073 29.468 29.700 -0.264 0.000 0.756 173 E HN 0.513 nan 8.360 nan 0.000 0.491 174 A N 1.352 124.082 122.820 -0.150 0.000 2.121 174 A HA -0.009 4.310 4.320 -0.001 0.000 0.218 174 A C 1.983 179.555 177.584 -0.020 0.000 1.154 174 A CA 0.683 52.676 52.037 -0.074 0.000 0.679 174 A CB -0.389 18.566 19.000 -0.075 0.000 0.795 174 A HN 0.319 nan 8.150 nan 0.000 0.458 175 L N -0.011 121.214 121.223 0.002 0.000 2.653 175 L HA 0.122 4.461 4.340 -0.001 0.000 0.231 175 L C -0.508 176.485 176.870 0.206 0.000 1.153 175 L CA -0.568 54.335 54.840 0.104 0.000 0.933 175 L CB -0.334 41.792 42.059 0.111 0.000 1.175 175 L HN 0.104 nan 8.230 nan 0.000 0.473 176 D N 0.733 121.219 120.400 0.143 0.000 2.423 176 D HA 0.176 4.816 4.640 -0.001 0.000 0.238 176 D C -0.147 176.202 176.300 0.082 0.000 1.142 176 D CA 0.526 54.626 54.000 0.166 0.000 0.884 176 D CB 1.812 42.676 40.800 0.107 0.000 1.199 176 D HN -0.243 nan 8.370 nan 0.000 0.438 177 V N 2.974 122.909 119.914 0.034 0.000 2.588 177 V HA 0.173 4.293 4.120 -0.001 0.000 0.304 177 V C -0.140 175.915 176.094 -0.064 0.000 1.042 177 V CA -0.943 61.308 62.300 -0.082 0.000 0.877 177 V CB 1.927 33.579 31.823 -0.286 0.000 0.996 177 V HN 0.328 nan 8.190 nan 0.000 0.425 178 Q N 2.976 122.735 119.800 -0.068 0.000 2.267 178 Q HA 0.549 4.889 4.340 -0.001 0.000 0.255 178 Q C -0.871 175.094 176.000 -0.058 0.000 0.923 178 Q CA -0.233 55.530 55.803 -0.067 0.000 0.925 178 Q CB 2.206 30.893 28.738 -0.084 0.000 1.195 178 Q HN 0.532 nan 8.270 nan 0.000 0.417 179 V N 1.845 121.748 119.914 -0.018 0.000 2.447 179 V HA 0.478 4.598 4.120 -0.001 0.000 0.292 179 V C 0.334 176.487 176.094 0.099 0.000 1.021 179 V CA -0.854 61.478 62.300 0.053 0.000 0.850 179 V CB 1.808 33.699 31.823 0.114 0.000 1.005 179 V HN 0.847 nan 8.190 nan 0.000 0.426 180 G N 3.697 112.541 108.800 0.074 0.000 2.476 180 G HA2 0.745 4.705 3.960 -0.001 0.000 0.286 180 G HA3 0.745 4.705 3.960 -0.001 0.000 0.286 180 G C -1.007 174.059 174.900 0.277 0.000 1.177 180 G CA -0.315 44.752 45.100 -0.056 0.000 0.870 180 G HN 0.632 nan 8.290 nan 0.000 0.528 181 I N -0.458 120.267 120.570 0.258 0.000 2.913 181 I HA 0.583 4.753 4.170 -0.001 0.000 0.302 181 I C 0.676 177.003 176.117 0.351 0.000 1.246 181 I CA 0.603 62.145 61.300 0.404 0.000 1.010 181 I CB 1.970 40.196 38.000 0.377 0.000 1.259 181 I HN 1.224 nan 8.210 nan 0.000 0.434 182 G N 3.654 112.659 108.800 0.341 0.000 2.528 182 G HA2 0.228 4.187 3.960 -0.001 0.000 0.262 182 G HA3 0.228 4.187 3.960 -0.001 0.000 0.262 182 G C 0.621 175.742 174.900 0.369 0.000 1.200 182 G CA -0.038 45.221 45.100 0.266 0.000 0.951 182 G HN 2.187 nan 8.290 nan 0.000 0.566 183 G N -0.698 108.248 108.800 0.243 0.000 2.528 183 G HA2 0.309 4.268 3.960 -0.001 0.000 0.262 183 G HA3 0.309 4.268 3.960 -0.001 0.000 0.262 183 G C 0.041 175.085 174.900 0.239 0.000 1.200 183 G CA 1.872 47.108 45.100 0.226 0.000 0.951 183 G HN 2.486 nan 8.290 nan 0.000 0.566 184 K N -2.221 118.343 120.400 0.274 0.000 2.556 184 K HA 0.723 5.042 4.320 -0.001 0.000 0.274 184 K C -1.212 175.557 176.600 0.283 0.000 0.966 184 K CA -1.103 55.313 56.287 0.215 0.000 0.865 184 K CB 2.144 34.724 32.500 0.134 0.000 1.444 184 K HN 0.795 nan 8.250 nan 0.000 0.433 185 V N 2.195 122.217 119.914 0.180 0.000 2.350 185 V HA 0.215 4.334 4.120 -0.001 0.000 0.276 185 V C 0.108 176.269 176.094 0.112 0.000 1.028 185 V CA -0.573 61.825 62.300 0.162 0.000 0.860 185 V CB 0.887 32.758 31.823 0.082 0.000 0.990 185 V HN 0.955 nan 8.190 nan 0.000 0.453 186 T N 2.547 117.167 114.554 0.111 0.000 2.934 186 T HA 0.091 4.440 4.350 -0.001 0.000 0.306 186 T C 0.138 174.876 174.700 0.063 0.000 1.042 186 T CA -0.395 61.751 62.100 0.077 0.000 1.145 186 T CB 0.044 68.953 68.868 0.067 0.000 0.982 186 T HN 0.622 nan 8.240 nan 0.000 0.544 187 K N 3.269 123.699 120.400 0.049 0.000 2.110 187 K HA 0.155 4.475 4.320 -0.001 0.000 0.260 187 K C 0.351 176.974 176.600 0.037 0.000 1.126 187 K CA 0.142 56.453 56.287 0.039 0.000 1.005 187 K CB 0.005 32.525 32.500 0.033 0.000 1.336 187 K HN 0.925 nan 8.250 nan 0.000 0.369 188 D N 0.630 121.054 120.400 0.040 0.000 3.538 188 D HA -0.084 4.555 4.640 -0.001 0.000 0.543 188 D C 0.836 177.164 176.300 0.045 0.000 0.411 188 D CA 0.888 54.911 54.000 0.038 0.000 0.983 188 D CB -0.597 40.225 40.800 0.036 0.000 1.426 188 D HN 0.507 nan 8.370 nan 0.000 0.238 189 G N 0.287 109.120 108.800 0.056 0.000 3.382 189 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.214 189 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.214 189 G C 0.089 175.042 174.900 0.088 0.000 1.025 189 G CA -0.042 45.096 45.100 0.064 0.000 0.869 189 G HN 0.376 nan 8.290 nan 0.000 0.458 190 R N -0.036 120.522 120.500 0.096 0.000 2.438 190 R HA 0.423 4.762 4.340 -0.001 0.000 0.287 190 R C -0.505 175.921 176.300 0.210 0.000 1.077 190 R CA -0.643 55.535 56.100 0.131 0.000 1.034 190 R CB 0.435 30.789 30.300 0.090 0.000 0.993 190 R HN 0.232 nan 8.270 nan 0.000 0.459 191 W N 4.276 125.589 121.300 0.022 0.000 2.335 191 W HA 0.145 4.805 4.660 -0.000 0.000 0.306 191 W C -0.816 175.724 176.519 0.035 0.000 1.216 191 W CA -0.932 56.431 57.345 0.030 0.000 1.237 191 W CB 0.626 30.106 29.460 0.033 0.000 1.243 191 W HN 0.520 nan 8.180 nan 0.000 0.493 192 E N 8.173 128.451 120.200 0.132 0.000 2.070 192 E HA 0.205 4.555 4.350 -0.001 0.000 0.261 192 E C -2.133 174.365 176.600 -0.170 0.000 0.926 192 E CA -1.778 54.580 56.400 -0.069 0.000 0.760 192 E CB 0.826 30.543 29.700 0.028 0.000 1.133 192 E HN 0.125 nan 8.360 nan 0.000 0.420 193 P HA -0.079 nan 4.420 nan 0.000 0.270 193 P C 0.395 177.661 177.300 -0.058 0.000 1.223 193 P CA 0.131 63.027 63.100 -0.339 0.000 0.785 193 P CB 0.632 31.985 31.700 -0.578 0.000 0.923 194 E N 0.932 121.181 120.200 0.081 0.000 2.460 194 E HA 0.113 4.463 4.350 -0.001 0.000 0.200 194 E C -0.415 176.324 176.600 0.231 0.000 1.011 194 E CA 0.081 56.559 56.400 0.131 0.000 0.912 194 E CB 0.133 29.921 29.700 0.147 0.000 0.953 194 E HN 0.333 nan 8.360 nan 0.000 0.494 195 F N 0.908 120.879 119.950 0.036 0.000 2.608 195 F HA 0.425 4.951 4.527 -0.001 0.000 0.309 195 F C -1.479 174.356 175.800 0.059 0.000 1.103 195 F CA -0.533 57.515 58.000 0.080 0.000 0.954 195 F CB 2.562 41.619 39.000 0.094 0.000 1.267 195 F HN -0.283 nan 8.300 nan 0.000 0.444 196 T N 6.787 121.043 114.554 -0.497 0.000 2.809 196 T HA 0.568 4.917 4.350 -0.001 0.000 0.284 196 T C -0.526 173.841 174.700 -0.555 0.000 0.992 196 T CA -0.313 61.559 62.100 -0.381 0.000 0.957 196 T CB 0.884 69.572 68.868 -0.300 0.000 0.942 196 T HN 0.372 nan 8.240 nan 0.000 0.439 197 I N 2.897 123.331 120.570 -0.227 0.000 2.353 197 I HA 0.258 4.428 4.170 -0.001 0.000 0.293 197 I C 0.653 176.737 176.117 -0.056 0.000 0.992 197 I CA -0.426 60.804 61.300 -0.118 0.000 1.268 197 I CB 1.347 39.368 38.000 0.035 0.000 1.387 197 I HN 0.480 nan 8.210 nan 0.000 0.478 198 T N 5.286 119.794 114.554 -0.077 0.000 2.723 198 T HA 0.332 4.682 4.350 -0.001 0.000 0.297 198 T C 0.468 175.276 174.700 0.180 0.000 0.925 198 T CA -0.597 61.514 62.100 0.018 0.000 1.030 198 T CB 0.551 69.395 68.868 -0.039 0.000 0.905 198 T HN 0.791 nan 8.240 nan 0.000 0.502 199 G N 2.979 111.962 108.800 0.306 0.000 2.353 199 G HA2 0.445 4.404 3.960 -0.001 0.000 0.284 199 G HA3 0.445 4.404 3.960 -0.001 0.000 0.284 199 G C -0.547 174.626 174.900 0.455 0.000 1.172 199 G CA -0.537 44.863 45.100 0.500 0.000 0.854 199 G HN 0.623 nan 8.290 nan 0.000 0.485 200 Q N 0.216 120.344 119.800 0.548 0.000 2.312 200 Q HA 0.549 4.889 4.340 -0.001 0.000 0.263 200 Q C -0.331 175.934 176.000 0.441 0.000 0.995 200 Q CA -0.727 55.332 55.803 0.427 0.000 0.853 200 Q CB 2.437 31.329 28.738 0.256 0.000 1.300 200 Q HN 0.661 nan 8.270 nan 0.000 0.448 201 A N 2.787 125.727 122.820 0.200 0.000 2.269 201 A HA 0.400 4.720 4.320 -0.001 0.000 0.302 201 A C -1.530 175.913 177.584 -0.236 0.000 1.266 201 A CA -0.348 51.545 52.037 -0.240 0.000 0.894 201 A CB 0.102 18.860 19.000 -0.403 0.000 1.147 201 A HN 0.673 nan 8.150 nan 0.000 0.537 202 W N 2.225 123.376 121.300 -0.248 0.000 2.314 202 W HA 0.422 5.081 4.660 -0.001 0.000 0.310 202 W C -0.766 175.777 176.519 0.040 0.000 1.075 202 W CA -0.131 57.070 57.345 -0.239 0.000 1.253 202 W CB 1.413 30.464 29.460 -0.682 0.000 1.238 202 W HN 0.551 nan 8.180 nan 0.000 0.440 203 D N 3.737 124.310 120.400 0.289 0.000 2.168 203 D HA 0.462 5.101 4.640 -0.001 0.000 0.246 203 D C -0.508 176.029 176.300 0.395 0.000 1.050 203 D CA -0.398 53.743 54.000 0.235 0.000 0.857 203 D CB 1.887 42.719 40.800 0.054 0.000 1.169 203 D HN 0.157 nan 8.370 nan 0.000 0.453 204 L N 3.193 124.530 121.223 0.190 0.000 2.329 204 L HA 0.402 4.742 4.340 -0.001 0.000 0.279 204 L C -2.287 174.588 176.870 0.009 0.000 1.014 204 L CA -1.913 52.978 54.840 0.086 0.000 0.814 204 L CB 2.326 44.358 42.059 -0.046 0.000 1.257 204 L HN 0.078 nan 8.230 nan 0.000 0.424 205 P HA 0.140 nan 4.420 nan 0.000 0.285 205 P C -0.816 176.410 177.300 -0.122 0.000 1.259 205 P CA -0.311 62.768 63.100 -0.035 0.000 0.794 205 P CB 1.633 33.338 31.700 0.008 0.000 0.940 206 V N 4.655 124.504 119.914 -0.108 0.000 2.333 206 V HA 0.120 4.240 4.120 -0.001 0.000 0.274 206 V C 0.488 176.513 176.094 -0.116 0.000 1.028 206 V CA -0.646 61.581 62.300 -0.121 0.000 0.851 206 V CB 1.371 33.137 31.823 -0.096 0.000 1.000 206 V HN 0.273 nan 8.190 nan 0.000 0.456 207 V N 4.766 124.589 119.914 -0.151 0.000 2.432 207 V HA 0.472 4.591 4.120 -0.001 0.000 0.271 207 V C 1.146 177.175 176.094 -0.109 0.000 1.046 207 V CA -0.246 61.963 62.300 -0.152 0.000 0.945 207 V CB 1.109 32.803 31.823 -0.216 0.000 0.992 207 V HN 0.903 nan 8.190 nan 0.000 0.471 208 G N 2.893 111.636 108.800 -0.095 0.000 2.544 208 G HA2 0.201 4.160 3.960 -0.001 0.000 0.242 208 G HA3 0.201 4.160 3.960 -0.001 0.000 0.242 208 G C -0.682 174.191 174.900 -0.044 0.000 1.247 208 G CA -0.243 44.824 45.100 -0.055 0.000 0.840 208 G HN 0.700 nan 8.290 nan 0.000 0.578 209 Y N 2.640 122.872 120.300 -0.115 0.000 2.587 209 Y HA 0.198 4.747 4.550 -0.001 0.000 0.344 209 Y C 1.331 177.160 175.900 -0.118 0.000 1.061 209 Y CA -0.290 57.735 58.100 -0.124 0.000 1.370 209 Y CB 0.252 38.639 38.460 -0.122 0.000 1.163 209 Y HN 0.658 nan 8.280 nan 0.000 0.527 210 R N 2.687 122.849 120.500 -0.564 0.000 3.741 210 R HA -0.272 4.067 4.340 -0.001 0.000 0.292 210 R C -0.124 176.028 176.300 -0.247 0.000 1.176 210 R CA 1.154 56.956 56.100 -0.496 0.000 0.794 210 R CB -2.515 27.342 30.300 -0.739 0.000 1.213 210 R HN 0.873 nan 8.270 nan 0.000 0.494 211 N N -1.863 116.730 118.700 -0.178 0.000 2.143 211 N HA 0.132 4.871 4.740 -0.001 0.000 0.222 211 N C 1.004 176.437 175.510 -0.128 0.000 1.264 211 N CA 0.606 53.582 53.050 -0.123 0.000 0.897 211 N CB 0.468 38.903 38.487 -0.087 0.000 1.092 211 N HN 0.294 nan 8.380 nan 0.000 0.516 212 G N 0.032 108.745 108.800 -0.145 0.000 2.155 212 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.257 212 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.257 212 G C -0.278 174.529 174.900 -0.156 0.000 0.983 212 G CA 0.536 45.553 45.100 -0.137 0.000 0.676 212 G HN 0.316 nan 8.290 nan 0.000 0.528 213 V N 0.510 120.331 119.914 -0.155 0.000 2.583 213 V HA 0.653 4.772 4.120 -0.001 0.000 0.287 213 V C 0.665 176.688 176.094 -0.118 0.000 1.051 213 V CA 0.440 62.645 62.300 -0.158 0.000 1.010 213 V CB 1.525 33.268 31.823 -0.132 0.000 0.988 213 V HN 1.388 nan 8.190 nan 0.000 0.478 214 A N 5.740 128.509 122.820 -0.086 0.000 2.446 214 A HA 0.722 5.042 4.320 -0.001 0.000 0.282 214 A C -0.627 176.954 177.584 -0.004 0.000 1.102 214 A CA -0.716 51.292 52.037 -0.048 0.000 0.737 214 A CB 1.159 20.145 19.000 -0.023 0.000 1.212 214 A HN 0.830 nan 8.150 nan 0.000 0.434 215 Q N 2.311 122.098 119.800 -0.021 0.000 2.423 215 Q HA 0.755 5.094 4.340 -0.001 0.000 0.278 215 Q C -2.967 173.008 176.000 -0.043 0.000 1.097 215 Q CA -2.392 53.411 55.803 -0.001 0.000 0.809 215 Q CB 2.716 31.461 28.738 0.013 0.000 1.391 215 Q HN 0.396 nan 8.270 nan 0.000 0.428 216 P HA 0.128 nan 4.420 nan 0.000 0.279 216 P C -1.061 176.122 177.300 -0.196 0.000 1.239 216 P CA -0.575 62.462 63.100 -0.106 0.000 0.789 216 P CB 0.758 32.392 31.700 -0.111 0.000 0.933 217 L N 3.679 124.771 121.223 -0.219 0.000 2.259 217 L HA 0.399 4.739 4.340 -0.001 0.000 0.288 217 L C 0.257 176.941 176.870 -0.309 0.000 1.051 217 L CA -0.502 54.122 54.840 -0.359 0.000 0.824 217 L CB -0.077 41.742 42.059 -0.400 0.000 1.206 217 L HN 0.288 nan 8.230 nan 0.000 0.429 218 R N 5.545 125.793 120.500 -0.420 0.000 2.204 218 R HA 0.491 4.830 4.340 -0.001 0.000 0.341 218 R C -1.361 174.655 176.300 -0.473 0.000 1.035 218 R CA -0.385 55.450 56.100 -0.442 0.000 0.887 218 R CB 0.300 30.253 30.300 -0.579 0.000 1.114 218 R HN 0.733 nan 8.270 nan 0.000 0.473 219 L N 5.788 126.837 121.223 -0.289 0.000 2.264 219 L HA 0.362 4.701 4.340 -0.001 0.000 0.287 219 L C -0.585 176.214 176.870 -0.117 0.000 1.039 219 L CA -0.739 54.017 54.840 -0.139 0.000 0.829 219 L CB 0.723 42.844 42.059 0.104 0.000 1.211 219 L HN 0.539 nan 8.230 nan 0.000 0.427 220 W N 3.161 124.539 121.300 0.130 0.000 2.253 220 W HA 0.319 4.978 4.660 -0.001 0.000 0.322 220 W C 0.441 177.124 176.519 0.274 0.000 1.342 220 W CA -0.105 57.331 57.345 0.153 0.000 1.218 220 W CB 0.510 29.908 29.460 -0.103 0.000 1.205 220 W HN 0.440 nan 8.180 nan 0.000 0.551 221 Q N 2.561 122.712 119.800 0.586 0.000 2.330 221 Q HA 0.627 4.967 4.340 -0.001 0.000 0.269 221 Q C -0.711 175.506 176.000 0.360 0.000 1.022 221 Q CA -0.717 55.286 55.803 0.334 0.000 0.796 221 Q CB 1.533 30.289 28.738 0.031 0.000 1.271 221 Q HN 0.596 nan 8.270 nan 0.000 0.450 222 A N 2.817 125.680 122.820 0.072 0.000 2.328 222 A HA 0.622 4.941 4.320 -0.001 0.000 0.284 222 A C -0.144 177.410 177.584 -0.050 0.000 1.160 222 A CA 0.025 51.933 52.037 -0.214 0.000 0.818 222 A CB 0.555 19.166 19.000 -0.647 0.000 1.087 222 A HN 0.773 nan 8.150 nan 0.000 0.504 223 T N -0.401 114.156 114.554 0.006 0.000 2.865 223 T HA 0.600 4.949 4.350 -0.001 0.000 0.294 223 T C -0.778 173.960 174.700 0.063 0.000 1.119 223 T CA -0.654 61.475 62.100 0.047 0.000 1.007 223 T CB 1.491 70.395 68.868 0.060 0.000 1.225 223 T HN 0.711 nan 8.240 nan 0.000 0.515 224 H N -0.420 118.643 119.070 -0.011 0.000 2.569 224 H HA 0.639 5.195 4.556 -0.001 0.000 0.357 224 H C 0.945 176.224 175.328 -0.083 0.000 1.153 224 H CA -0.160 55.853 56.048 -0.058 0.000 1.193 224 H CB 2.227 31.983 29.762 -0.011 0.000 1.602 224 H HN 0.877 nan 8.280 nan 0.000 0.523 225 A N 3.269 125.892 122.820 -0.328 0.000 2.066 225 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 225 A C 0.367 177.657 177.584 -0.491 0.000 1.157 225 A CA 0.987 52.801 52.037 -0.371 0.000 0.670 225 A CB 0.035 18.758 19.000 -0.461 0.000 0.804 225 A HN 0.653 nan 8.150 nan 0.000 0.453 226 H N -1.245 118.031 119.070 0.343 0.000 2.511 226 H HA 0.194 4.749 4.556 -0.001 0.000 0.228 226 H C -2.135 173.341 175.328 0.247 0.000 1.424 226 H CA -1.411 54.804 56.048 0.277 0.000 1.321 226 H CB 0.548 30.437 29.762 0.213 0.000 1.720 226 H HN 0.332 nan 8.280 nan 0.000 0.512 227 P HA -0.104 nan 4.420 nan 0.000 0.223 227 P C 0.249 177.689 177.300 0.233 0.000 1.151 227 P CA 0.767 63.988 63.100 0.202 0.000 0.787 227 P CB 0.429 32.239 31.700 0.183 0.000 0.788 228 F N 0.829 120.835 119.950 0.094 0.000 2.507 228 F HA 0.491 5.017 4.527 -0.001 0.000 0.325 228 F C -0.930 174.921 175.800 0.085 0.000 1.116 228 F CA -1.254 56.794 58.000 0.080 0.000 0.930 228 F CB 1.576 40.605 39.000 0.049 0.000 1.146 228 F HN -0.372 nan 8.300 nan 0.000 0.447 229 D N 6.504 126.588 120.400 -0.527 0.000 2.460 229 D HA 0.108 4.747 4.640 -0.001 0.000 0.232 229 D C 0.614 176.564 176.300 -0.583 0.000 1.079 229 D CA -0.294 53.489 54.000 -0.361 0.000 0.864 229 D CB 1.439 42.130 40.800 -0.182 0.000 1.048 229 D HN 0.716 nan 8.370 nan 0.000 0.523 230 L N 3.913 124.920 121.223 -0.359 0.000 2.083 230 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 230 L C 1.857 178.716 176.870 -0.018 0.000 1.083 230 L CA 1.881 56.639 54.840 -0.137 0.000 0.752 230 L CB -0.548 41.578 42.059 0.110 0.000 0.899 230 L HN 0.378 nan 8.230 nan 0.000 0.433 231 T N -0.349 114.179 114.554 -0.043 0.000 2.708 231 T HA -0.186 4.163 4.350 -0.001 0.000 0.266 231 T C 1.846 176.528 174.700 -0.029 0.000 1.037 231 T CA 1.825 63.916 62.100 -0.015 0.000 1.146 231 T CB -0.128 68.726 68.868 -0.024 0.000 0.865 231 T HN 0.377 nan 8.240 nan 0.000 0.435 232 K N 0.262 120.617 120.400 -0.074 0.000 2.097 232 K HA -0.029 4.291 4.320 -0.001 0.000 0.206 232 K C 1.989 178.542 176.600 -0.079 0.000 1.049 232 K CA 1.093 57.325 56.287 -0.092 0.000 0.933 232 K CB -0.365 32.072 32.500 -0.105 0.000 0.717 232 K HN 0.246 nan 8.250 nan 0.000 0.442 233 F N 2.592 122.438 119.950 -0.173 0.000 2.095 233 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 233 F C 1.852 177.692 175.800 0.068 0.000 1.104 233 F CA 1.488 59.495 58.000 0.012 0.000 1.232 233 F CB -0.073 38.997 39.000 0.116 0.000 0.987 233 F HN 0.028 nan 8.300 nan 0.000 0.475 234 N N 0.131 118.971 118.700 0.234 0.000 2.494 234 N HA -0.100 4.639 4.740 -0.001 0.000 0.182 234 N C 0.794 176.314 175.510 0.016 0.000 1.076 234 N CA 0.889 54.048 53.050 0.183 0.000 0.908 234 N CB -0.345 38.251 38.487 0.180 0.000 0.967 234 N HN 0.333 nan 8.380 nan 0.000 0.449 235 D N -0.753 119.606 120.400 -0.069 0.000 2.340 235 D HA 0.155 4.794 4.640 -0.001 0.000 0.220 235 D C 1.125 177.270 176.300 -0.260 0.000 1.039 235 D CA 0.333 54.257 54.000 -0.126 0.000 0.866 235 D CB 0.133 40.868 40.800 -0.109 0.000 0.913 235 D HN 0.285 nan 8.370 nan 0.000 0.523 236 G N 0.981 109.502 108.800 -0.465 0.000 2.141 236 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.231 236 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.231 236 G C -0.029 174.144 174.900 -1.213 0.000 0.984 236 G CA -0.262 44.263 45.100 -0.959 0.000 0.660 236 G HN 0.271 nan 8.290 nan 0.000 0.525 237 D N 0.332 120.281 120.400 -0.752 0.000 2.564 237 D HA 0.408 5.047 4.640 -0.001 0.000 0.226 237 D C 1.126 177.222 176.300 -0.338 0.000 1.149 237 D CA -0.486 53.221 54.000 -0.489 0.000 0.994 237 D CB -0.117 40.531 40.800 -0.253 0.000 1.029 237 D HN 0.137 nan 8.370 nan 0.000 0.517 238 F N 0.581 120.465 119.950 -0.110 0.000 2.259 238 F HA -0.077 4.449 4.527 -0.001 0.000 0.298 238 F C 2.023 177.887 175.800 0.106 0.000 1.088 238 F CA 0.121 58.103 58.000 -0.030 0.000 1.358 238 F CB -0.313 38.640 39.000 -0.078 0.000 1.040 238 F HN 0.283 nan 8.300 nan 0.000 0.505 239 L N 0.253 121.593 121.223 0.195 0.000 2.049 239 L HA -0.007 4.332 4.340 -0.001 0.000 0.203 239 L C 2.450 179.381 176.870 0.101 0.000 1.074 239 L CA 1.585 56.515 54.840 0.149 0.000 0.749 239 L CB -0.500 41.617 42.059 0.096 0.000 0.907 239 L HN -0.088 nan 8.230 nan 0.000 0.439 240 R N -0.532 119.992 120.500 0.040 0.000 2.152 240 R HA -0.074 4.266 4.340 -0.001 0.000 0.232 240 R C 2.149 178.452 176.300 0.006 0.000 1.117 240 R CA 0.936 57.041 56.100 0.009 0.000 0.981 240 R CB -0.538 29.743 30.300 -0.030 0.000 0.870 240 R HN 0.499 nan 8.270 nan 0.000 0.451 241 A N 1.312 124.143 122.820 0.019 0.000 2.024 241 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 241 A C 1.548 179.134 177.584 0.004 0.000 1.164 241 A CA 1.349 53.351 52.037 -0.058 0.000 0.643 241 A CB -0.092 18.898 19.000 -0.016 0.000 0.806 241 A HN 0.174 nan 8.150 nan 0.000 0.451 242 E N -0.871 119.410 120.200 0.136 0.000 2.479 242 E HA -0.043 4.306 4.350 -0.001 0.000 0.193 242 E C 1.751 178.414 176.600 0.106 0.000 1.049 242 E CA 0.494 57.002 56.400 0.180 0.000 0.870 242 E CB 0.048 29.876 29.700 0.214 0.000 0.944 242 E HN 0.801 nan 8.360 nan 0.000 0.492 243 Q N 1.463 121.298 119.800 0.058 0.000 2.084 243 Q HA -0.224 4.116 4.340 -0.001 0.000 0.202 243 Q C 2.144 178.158 176.000 0.023 0.000 0.978 243 Q CA 1.879 57.700 55.803 0.030 0.000 0.844 243 Q CB -0.019 28.722 28.738 0.004 0.000 0.898 243 Q HN 0.250 nan 8.270 nan 0.000 0.426 244 Q N -1.119 118.689 119.800 0.013 0.000 2.050 244 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 244 Q C 1.906 177.921 176.000 0.024 0.000 0.980 244 Q CA 1.868 57.655 55.803 -0.027 0.000 0.840 244 Q CB -0.660 27.975 28.738 -0.172 0.000 0.898 244 Q HN 0.542 nan 8.270 nan 0.000 0.424 245 G N 0.439 109.279 108.800 0.067 0.000 2.422 245 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.218 245 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.218 245 G C 1.364 176.338 174.900 0.123 0.000 1.146 245 G CA 0.846 46.025 45.100 0.130 0.000 0.769 245 G HN 0.384 nan 8.290 nan 0.000 0.547 246 I N 0.803 121.430 120.570 0.096 0.000 2.353 246 I HA -0.113 4.057 4.170 -0.001 0.000 0.248 246 I C 2.308 178.460 176.117 0.058 0.000 1.119 246 I CA 0.509 61.854 61.300 0.076 0.000 1.417 246 I CB -0.117 37.924 38.000 0.068 0.000 1.078 246 I HN 0.042 nan 8.210 nan 0.000 0.421 247 N N 1.054 119.778 118.700 0.039 0.000 2.223 247 N HA -0.130 4.609 4.740 -0.001 0.000 0.185 247 N C 1.755 177.318 175.510 0.087 0.000 1.016 247 N CA 1.510 54.537 53.050 -0.039 0.000 0.863 247 N CB -0.222 38.101 38.487 -0.272 0.000 0.983 247 N HN 0.377 nan 8.380 nan 0.000 0.429 248 A N 0.956 123.948 122.820 0.287 0.000 1.878 248 A HA 0.008 4.328 4.320 -0.001 0.000 0.213 248 A C 1.981 179.596 177.584 0.051 0.000 1.192 248 A CA 0.821 53.010 52.037 0.253 0.000 0.619 248 A CB -0.358 18.815 19.000 0.288 0.000 0.837 248 A HN 0.225 nan 8.150 nan 0.000 0.446 249 E N 0.365 120.600 120.200 0.059 0.000 2.338 249 E HA -0.177 4.172 4.350 -0.001 0.000 0.197 249 E C 1.812 178.424 176.600 0.019 0.000 1.007 249 E CA 1.171 57.582 56.400 0.017 0.000 0.849 249 E CB -0.121 29.600 29.700 0.035 0.000 0.774 249 E HN 0.800 nan 8.360 nan 0.000 0.506 250 K N 0.908 121.329 120.400 0.034 0.000 2.362 250 K HA -0.106 4.214 4.320 -0.001 0.000 0.200 250 K C 1.760 178.391 176.600 0.051 0.000 1.046 250 K CA 0.889 57.207 56.287 0.052 0.000 0.952 250 K CB -0.122 32.402 32.500 0.040 0.000 0.753 250 K HN 0.158 nan 8.250 nan 0.000 0.466 251 L N 1.780 123.001 121.223 -0.003 0.000 2.275 251 L HA -0.046 4.293 4.340 -0.001 0.000 0.215 251 L C 1.316 178.233 176.870 0.078 0.000 1.119 251 L CA 1.330 56.170 54.840 -0.001 0.000 0.790 251 L CB -0.433 41.531 42.059 -0.157 0.000 0.919 251 L HN 0.425 nan 8.230 nan 0.000 0.443 252 T N -5.391 109.201 114.554 0.062 0.000 3.331 252 T HA 0.205 4.554 4.350 -0.001 0.000 0.282 252 T C 1.176 175.984 174.700 0.180 0.000 1.010 252 T CA -0.592 61.582 62.100 0.124 0.000 0.928 252 T CB 0.385 69.275 68.868 0.036 0.000 1.154 252 T HN -0.010 nan 8.240 nan 0.000 0.516 253 K N 0.943 121.469 120.400 0.209 0.000 2.067 253 K HA 0.243 4.563 4.320 -0.001 0.000 0.203 253 K C 0.540 177.336 176.600 0.326 0.000 1.048 253 K CA 0.664 57.099 56.287 0.248 0.000 0.954 253 K CB 0.214 32.863 32.500 0.248 0.000 0.737 253 K HN 0.305 nan 8.250 nan 0.000 0.444 254 V N 1.809 121.886 119.914 0.272 0.000 2.760 254 V HA 0.191 4.311 4.120 -0.001 0.000 0.309 254 V C -0.894 175.101 176.094 -0.166 0.000 1.077 254 V CA -1.157 61.208 62.300 0.108 0.000 0.910 254 V CB 2.180 34.071 31.823 0.114 0.000 1.008 254 V HN 0.080 nan 8.190 nan 0.000 0.424 255 L N 5.506 126.338 121.223 -0.652 0.000 2.380 255 L HA 0.496 4.835 4.340 -0.001 0.000 0.273 255 L C -0.346 176.305 176.870 -0.365 0.000 1.138 255 L CA 0.338 54.586 54.840 -0.987 0.000 0.832 255 L CB -0.265 41.062 42.059 -1.221 0.000 1.124 255 L HN 0.698 nan 8.230 nan 0.000 0.454 256 Y N 3.705 123.919 120.300 -0.143 0.000 2.967 256 Y HA -0.189 4.361 4.550 -0.000 0.000 0.208 256 Y C -1.903 174.001 175.900 0.007 0.000 1.214 256 Y CA -0.133 57.944 58.100 -0.039 0.000 0.915 256 Y CB -2.460 35.985 38.460 -0.026 0.000 1.218 256 Y HN 0.518 nan 8.280 nan 0.000 0.472 257 P HA -0.030 nan 4.420 nan 0.000 0.269 257 P C 0.525 177.889 177.300 0.107 0.000 1.209 257 P CA -0.162 63.005 63.100 0.112 0.000 0.776 257 P CB 0.789 32.549 31.700 0.099 0.000 0.876 258 N N 2.719 121.466 118.700 0.077 0.000 2.315 258 N HA -0.113 4.626 4.740 -0.001 0.000 0.270 258 N C 0.304 175.845 175.510 0.051 0.000 1.329 258 N CA 0.456 53.534 53.050 0.047 0.000 0.860 258 N CB -0.134 38.368 38.487 0.024 0.000 1.095 258 N HN 0.381 nan 8.380 nan 0.000 0.487 259 D N 1.902 122.329 120.400 0.044 0.000 2.525 259 D HA 0.049 4.688 4.640 -0.001 0.000 0.229 259 D C 0.465 176.791 176.300 0.044 0.000 1.202 259 D CA -0.175 53.858 54.000 0.055 0.000 0.828 259 D CB -0.882 39.962 40.800 0.073 0.000 1.008 259 D HN 0.486 nan 8.370 nan 0.000 0.493 260 N N 0.060 118.781 118.700 0.035 0.000 2.166 260 N HA -0.063 4.677 4.740 -0.001 0.000 0.186 260 N C 0.866 176.429 175.510 0.088 0.000 1.019 260 N CA 0.926 54.007 53.050 0.052 0.000 0.856 260 N CB 0.194 38.720 38.487 0.064 0.000 0.993 260 N HN 0.266 nan 8.380 nan 0.000 0.426 261 A N 0.092 122.972 122.820 0.099 0.000 2.261 261 A HA 0.340 4.659 4.320 -0.001 0.000 0.323 261 A C 0.499 178.190 177.584 0.178 0.000 1.107 261 A CA -0.600 51.520 52.037 0.138 0.000 0.883 261 A CB 0.403 19.477 19.000 0.123 0.000 1.251 261 A HN 0.219 nan 8.150 nan 0.000 0.502 262 F N -0.307 119.680 119.950 0.061 0.000 2.206 262 F HA -0.016 4.511 4.527 -0.001 0.000 0.298 262 F C 1.829 177.678 175.800 0.082 0.000 1.090 262 F CA 1.922 59.966 58.000 0.074 0.000 1.323 262 F CB 0.181 39.218 39.000 0.061 0.000 1.028 262 F HN 0.583 nan 8.300 nan 0.000 0.492 263 E N 0.649 120.859 120.200 0.017 0.000 2.204 263 E HA -0.098 4.251 4.350 -0.001 0.000 0.195 263 E C 2.423 178.957 176.600 -0.110 0.000 0.990 263 E CA 1.016 57.350 56.400 -0.110 0.000 0.821 263 E CB -0.916 28.811 29.700 0.044 0.000 0.750 263 E HN 0.570 nan 8.360 nan 0.000 0.477 264 G N 1.129 109.914 108.800 -0.026 0.000 2.394 264 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.215 264 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.215 264 G C 1.629 176.550 174.900 0.036 0.000 1.165 264 G CA 0.522 45.634 45.100 0.020 0.000 0.784 264 G HN 0.219 nan 8.290 nan 0.000 0.535 265 K N 0.272 120.690 120.400 0.030 0.000 2.032 265 K HA -0.114 4.206 4.320 -0.001 0.000 0.209 265 K C 2.437 179.092 176.600 0.093 0.000 1.048 265 K CA 1.515 57.892 56.287 0.150 0.000 0.927 265 K CB -0.142 32.450 32.500 0.153 0.000 0.712 265 K HN 0.243 nan 8.250 nan 0.000 0.441 266 K N 0.949 121.213 120.400 -0.226 0.000 2.026 266 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 266 K C 2.132 178.641 176.600 -0.152 0.000 1.048 266 K CA 1.050 57.155 56.287 -0.303 0.000 0.929 266 K CB -0.149 32.033 32.500 -0.529 0.000 0.713 266 K HN -0.004 nan 8.250 nan 0.000 0.439 267 L N 1.636 122.809 121.223 -0.083 0.000 2.042 267 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 267 L C 2.112 179.006 176.870 0.040 0.000 1.076 267 L CA 1.666 56.500 54.840 -0.011 0.000 0.749 267 L CB -0.374 41.698 42.059 0.021 0.000 0.893 267 L HN 0.138 nan 8.230 nan 0.000 0.432 268 R N -1.078 119.475 120.500 0.090 0.000 2.081 268 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 268 R C 2.158 178.514 176.300 0.094 0.000 1.131 268 R CA 1.514 57.719 56.100 0.175 0.000 0.960 268 R CB -0.715 29.791 30.300 0.342 0.000 0.856 268 R HN 0.323 nan 8.270 nan 0.000 0.436 269 L N 1.043 122.172 121.223 -0.156 0.000 2.017 269 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 269 L C 2.192 178.969 176.870 -0.155 0.000 1.073 269 L CA 1.703 56.270 54.840 -0.455 0.000 0.745 269 L CB -0.419 41.025 42.059 -1.025 0.000 0.894 269 L HN 0.139 nan 8.230 nan 0.000 0.432 270 M N -1.492 118.067 119.600 -0.069 0.000 2.108 270 M HA -0.269 4.211 4.480 -0.001 0.000 0.261 270 M C 2.236 178.640 176.300 0.172 0.000 1.066 270 M CA 1.708 57.053 55.300 0.076 0.000 1.107 270 M CB -0.580 32.053 32.600 0.056 0.000 1.356 270 M HN 0.354 nan 8.290 nan 0.000 0.406 271 Q N 0.282 120.174 119.800 0.153 0.000 2.077 271 Q HA -0.247 4.093 4.340 -0.001 0.000 0.206 271 Q C 2.091 178.236 176.000 0.242 0.000 0.989 271 Q CA 1.722 57.663 55.803 0.229 0.000 0.853 271 Q CB -0.240 28.635 28.738 0.228 0.000 0.907 271 Q HN 0.634 nan 8.270 nan 0.000 0.418 272 Q N -0.698 119.210 119.800 0.180 0.000 2.079 272 Q HA -0.192 4.148 4.340 -0.001 0.000 0.200 272 Q C 1.867 177.929 176.000 0.104 0.000 0.974 272 Q CA 1.359 57.257 55.803 0.158 0.000 0.840 272 Q CB -0.223 28.616 28.738 0.168 0.000 0.898 272 Q HN 0.402 nan 8.270 nan 0.000 0.430 273 Y N 0.577 120.877 120.300 0.000 0.000 2.181 273 Y HA -0.275 4.275 4.550 -0.001 0.000 0.288 273 Y C 1.921 177.832 175.900 0.018 0.000 1.146 273 Y CA 1.365 59.438 58.100 -0.045 0.000 1.164 273 Y CB -0.395 37.996 38.460 -0.115 0.000 0.982 273 Y HN 0.134 nan 8.280 nan 0.000 0.515 274 F N 1.175 120.975 119.950 -0.250 0.000 2.102 274 F HA -0.203 4.324 4.527 -0.001 0.000 0.298 274 F C 2.549 178.159 175.800 -0.316 0.000 1.105 274 F CA 2.314 60.142 58.000 -0.288 0.000 1.239 274 F CB -0.951 38.014 39.000 -0.058 0.000 0.991 274 F HN 0.212 nan 8.300 nan 0.000 0.474 275 Q N -0.293 119.336 119.800 -0.285 0.000 2.030 275 Q HA -0.247 4.092 4.340 -0.001 0.000 0.204 275 Q C 2.386 178.157 176.000 -0.383 0.000 0.986 275 Q CA 2.703 58.347 55.803 -0.266 0.000 0.843 275 Q CB -0.598 28.182 28.738 0.070 0.000 0.904 275 Q HN 0.567 nan 8.270 nan 0.000 0.420 276 C N -0.146 118.986 119.300 -0.281 0.000 2.466 276 C HA 0.013 4.472 4.460 -0.001 0.000 0.278 276 C C 2.837 177.608 174.990 -0.364 0.000 1.288 276 C CA 0.598 59.473 59.018 -0.238 0.000 1.722 276 C CB -1.244 26.436 27.740 -0.100 0.000 2.017 276 C HN 0.703 nan 8.230 nan 0.000 0.488 277 A N -0.844 121.640 122.820 -0.559 0.000 1.902 277 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 277 A C 2.129 179.366 177.584 -0.578 0.000 1.181 277 A CA 2.220 53.946 52.037 -0.519 0.000 0.623 277 A CB -1.036 17.536 19.000 -0.713 0.000 0.818 277 A HN 0.665 nan 8.150 nan 0.000 0.443 278 C N -0.932 117.806 119.300 -0.936 0.000 2.466 278 C HA -0.019 4.441 4.460 -0.001 0.000 0.278 278 C C 3.287 177.647 174.990 -1.051 0.000 1.288 278 C CA 1.239 59.432 59.018 -1.375 0.000 1.722 278 C CB -1.104 25.061 27.740 -2.625 0.000 2.017 278 C HN 0.622 nan 8.230 nan 0.000 0.488 279 S N 0.786 116.019 115.700 -0.779 0.000 2.368 279 S HA -0.132 4.337 4.470 -0.001 0.000 0.225 279 S C 1.865 176.201 174.600 -0.439 0.000 1.030 279 S CA 1.425 59.293 58.200 -0.555 0.000 0.999 279 S CB -0.349 62.486 63.200 -0.609 0.000 0.844 279 S HN 0.482 nan 8.310 nan 0.000 0.459 280 V N 2.005 121.739 119.914 -0.299 0.000 2.427 280 V HA -0.151 3.969 4.120 -0.001 0.000 0.248 280 V C 2.628 178.652 176.094 -0.116 0.000 1.051 280 V CA 1.533 63.741 62.300 -0.154 0.000 1.048 280 V CB -1.195 30.596 31.823 -0.054 0.000 0.666 280 V HN 0.530 nan 8.190 nan 0.000 0.456 281 A N 0.142 122.870 122.820 -0.155 0.000 1.902 281 A HA -0.307 4.013 4.320 -0.001 0.000 0.217 281 A C 2.049 179.616 177.584 -0.028 0.000 1.181 281 A CA 2.280 54.260 52.037 -0.094 0.000 0.623 281 A CB -0.656 18.252 19.000 -0.153 0.000 0.818 281 A HN 0.596 nan 8.150 nan 0.000 0.443 282 D N -0.576 119.824 120.400 -0.000 0.000 2.149 282 D HA -0.066 4.573 4.640 -0.001 0.000 0.201 282 D C 1.700 178.088 176.300 0.147 0.000 0.972 282 D CA 1.106 55.206 54.000 0.167 0.000 0.835 282 D CB -0.166 40.912 40.800 0.463 0.000 0.966 282 D HN 0.467 nan 8.370 nan 0.000 0.476 283 I N 0.032 120.650 120.570 0.080 0.000 2.179 283 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 283 I C 2.263 178.409 176.117 0.049 0.000 1.088 283 I CA 0.754 62.099 61.300 0.075 0.000 1.357 283 I CB -0.147 37.855 38.000 0.002 0.000 1.051 283 I HN 0.112 nan 8.210 nan 0.000 0.409 284 L N 0.038 121.272 121.223 0.019 0.000 2.093 284 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 284 L C 2.727 179.659 176.870 0.103 0.000 1.085 284 L CA 1.108 55.972 54.840 0.039 0.000 0.755 284 L CB -0.563 41.507 42.059 0.019 0.000 0.904 284 L HN 0.223 nan 8.230 nan 0.000 0.435 285 R N 0.505 121.052 120.500 0.078 0.000 2.083 285 R HA -0.218 4.121 4.340 -0.001 0.000 0.237 285 R C 2.508 178.872 176.300 0.106 0.000 1.137 285 R CA 1.713 57.862 56.100 0.082 0.000 0.951 285 R CB -0.177 30.158 30.300 0.059 0.000 0.851 285 R HN 0.188 nan 8.270 nan 0.000 0.434 286 R N -0.935 119.615 120.500 0.084 0.000 2.081 286 R HA -0.202 4.137 4.340 -0.001 0.000 0.235 286 R C 2.251 178.569 176.300 0.031 0.000 1.131 286 R CA 2.060 58.181 56.100 0.036 0.000 0.960 286 R CB -0.374 29.928 30.300 0.004 0.000 0.856 286 R HN 0.395 nan 8.270 nan 0.000 0.436 287 H N -0.384 118.661 119.070 -0.041 0.000 2.353 287 H HA -0.177 4.378 4.556 -0.001 0.000 0.300 287 H C 2.167 177.451 175.328 -0.073 0.000 1.090 287 H CA 2.265 58.264 56.048 -0.081 0.000 1.327 287 H CB -0.245 29.481 29.762 -0.060 0.000 1.383 287 H HN 0.303 nan 8.280 nan 0.000 0.508 288 H N 0.255 119.314 119.070 -0.017 0.000 2.293 288 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 288 H C 2.188 177.452 175.328 -0.107 0.000 1.082 288 H CA 1.591 57.599 56.048 -0.068 0.000 1.308 288 H CB -0.307 29.454 29.762 -0.003 0.000 1.375 288 H HN 0.345 nan 8.280 nan 0.000 0.495 289 L N 0.914 122.157 121.223 0.034 0.000 2.265 289 L HA -0.098 4.241 4.340 -0.001 0.000 0.215 289 L C 2.405 179.179 176.870 -0.159 0.000 1.117 289 L CA 1.342 56.164 54.840 -0.031 0.000 0.782 289 L CB -1.163 40.904 42.059 0.013 0.000 0.914 289 L HN 0.333 nan 8.230 nan 0.000 0.441 290 A N -1.220 121.474 122.820 -0.210 0.000 2.238 290 A HA 0.301 4.620 4.320 -0.001 0.000 0.208 290 A C 1.669 179.067 177.584 -0.309 0.000 1.177 290 A CA 0.739 52.625 52.037 -0.252 0.000 0.804 290 A CB -0.365 18.467 19.000 -0.281 0.000 0.823 290 A HN 0.532 nan 8.150 nan 0.000 0.482 291 G N -0.621 107.972 108.800 -0.345 0.000 2.148 291 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.254 291 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.254 291 G C 0.334 175.013 174.900 -0.370 0.000 0.981 291 G CA 0.475 45.374 45.100 -0.335 0.000 0.670 291 G HN 0.655 nan 8.290 nan 0.000 0.528 292 R N -0.146 120.037 120.500 -0.528 0.000 2.543 292 R HA 0.570 4.909 4.340 -0.001 0.000 0.268 292 R C 0.229 176.250 176.300 -0.465 0.000 1.067 292 R CA -0.545 55.168 56.100 -0.645 0.000 1.142 292 R CB 0.608 30.171 30.300 -1.228 0.000 1.110 292 R HN -0.012 nan 8.270 nan 0.000 0.549 293 K N 1.882 122.122 120.400 -0.267 0.000 2.130 293 K HA 0.096 4.416 4.320 -0.001 0.000 0.268 293 K C 0.830 177.463 176.600 0.056 0.000 0.983 293 K CA -0.457 55.773 56.287 -0.095 0.000 0.893 293 K CB 1.588 34.017 32.500 -0.119 0.000 1.066 293 K HN 0.313 nan 8.250 nan 0.000 0.450 294 L N 3.680 124.955 121.223 0.087 0.000 2.083 294 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 294 L C 2.450 179.329 176.870 0.015 0.000 1.083 294 L CA 1.926 56.800 54.840 0.056 0.000 0.752 294 L CB -0.648 41.371 42.059 -0.067 0.000 0.899 294 L HN 0.772 nan 8.230 nan 0.000 0.433 295 H N -1.087 118.001 119.070 0.030 0.000 2.518 295 H HA -0.076 4.480 4.556 -0.001 0.000 0.289 295 H C 0.783 176.127 175.328 0.026 0.000 1.051 295 H CA 1.370 57.425 56.048 0.013 0.000 1.280 295 H CB -0.251 29.522 29.762 0.018 0.000 1.380 295 H HN 0.543 nan 8.280 nan 0.000 0.566 296 E N 0.658 120.677 120.200 -0.303 0.000 2.437 296 E HA 0.067 4.417 4.350 -0.001 0.000 0.195 296 E C 1.483 178.114 176.600 0.050 0.000 1.029 296 E CA -0.378 55.948 56.400 -0.123 0.000 0.948 296 E CB 0.355 29.979 29.700 -0.127 0.000 1.082 296 E HN 0.165 nan 8.360 nan 0.000 0.456 297 L N 1.414 122.567 121.223 -0.118 0.000 1.997 297 L HA -0.244 4.096 4.340 -0.001 0.000 0.216 297 L C 2.195 178.948 176.870 -0.195 0.000 1.074 297 L CA 2.359 56.970 54.840 -0.382 0.000 0.763 297 L CB -0.485 41.319 42.059 -0.424 0.000 0.890 297 L HN 0.179 nan 8.230 nan 0.000 0.434 298 A N -1.417 121.295 122.820 -0.180 0.000 2.121 298 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 298 A C 1.834 179.307 177.584 -0.185 0.000 1.154 298 A CA 1.449 53.369 52.037 -0.195 0.000 0.679 298 A CB -0.709 18.157 19.000 -0.224 0.000 0.795 298 A HN 0.597 nan 8.150 nan 0.000 0.458 299 D N -1.850 118.438 120.400 -0.188 0.000 2.312 299 D HA -0.077 4.562 4.640 -0.001 0.000 0.211 299 D C 0.646 176.675 176.300 -0.451 0.000 0.964 299 D CA 1.193 54.984 54.000 -0.348 0.000 0.877 299 D CB -0.027 40.489 40.800 -0.474 0.000 0.924 299 D HN 0.669 nan 8.370 nan 0.000 0.515 300 Y N -0.186 120.104 120.300 -0.017 0.000 2.441 300 Y HA 0.204 4.754 4.550 -0.001 0.000 0.266 300 Y C 0.595 176.517 175.900 0.036 0.000 1.093 300 Y CA -0.148 57.973 58.100 0.035 0.000 1.246 300 Y CB 1.070 39.601 38.460 0.118 0.000 1.262 300 Y HN -0.277 nan 8.280 nan 0.000 0.518 301 E N 0.515 120.776 120.200 0.101 0.000 2.266 301 E HA 0.524 4.873 4.350 -0.001 0.000 0.268 301 E C -1.354 175.223 176.600 -0.037 0.000 0.879 301 E CA -0.688 55.740 56.400 0.047 0.000 0.762 301 E CB 3.279 32.971 29.700 -0.013 0.000 1.199 301 E HN -0.146 nan 8.360 nan 0.000 0.422 302 V N 3.331 123.227 119.914 -0.029 0.000 2.789 302 V HA 0.523 4.643 4.120 -0.001 0.000 0.311 302 V C -1.125 174.942 176.094 -0.044 0.000 1.073 302 V CA -0.684 61.607 62.300 -0.015 0.000 0.921 302 V CB 1.567 33.444 31.823 0.090 0.000 1.009 302 V HN 0.582 nan 8.190 nan 0.000 0.426 303 I N 5.425 125.980 120.570 -0.025 0.000 2.354 303 I HA 0.424 4.594 4.170 -0.001 0.000 0.286 303 I C -0.444 175.777 176.117 0.174 0.000 1.007 303 I CA -0.526 60.797 61.300 0.038 0.000 1.167 303 I CB 1.690 39.651 38.000 -0.064 0.000 1.320 303 I HN 0.591 nan 8.210 nan 0.000 0.458 304 Q N 6.742 126.624 119.800 0.137 0.000 2.314 304 Q HA 0.428 4.767 4.340 -0.001 0.000 0.257 304 Q C -1.133 174.919 176.000 0.087 0.000 0.975 304 Q CA -0.090 55.818 55.803 0.176 0.000 0.933 304 Q CB 0.974 29.862 28.738 0.250 0.000 1.195 304 Q HN 0.569 nan 8.270 nan 0.000 0.426 305 L N 4.401 125.720 121.223 0.160 0.000 2.261 305 L HA 0.412 4.752 4.340 -0.001 0.000 0.289 305 L C -0.167 176.808 176.870 0.175 0.000 1.059 305 L CA -0.461 54.476 54.840 0.162 0.000 0.816 305 L CB 0.573 42.748 42.059 0.193 0.000 1.191 305 L HN 0.530 nan 8.230 nan 0.000 0.431 306 N N 4.565 123.333 118.700 0.114 0.000 2.485 306 N HA 0.202 4.942 4.740 -0.001 0.000 0.243 306 N C -0.495 175.150 175.510 0.226 0.000 0.987 306 N CA -0.264 52.900 53.050 0.191 0.000 0.940 306 N CB 1.215 39.740 38.487 0.064 0.000 1.122 306 N HN 0.606 nan 8.380 nan 0.000 0.509 307 D N -0.382 120.202 120.400 0.306 0.000 4.136 307 D HA -0.195 4.444 4.640 -0.001 0.000 0.291 307 D C 1.003 177.452 176.300 0.249 0.000 2.238 307 D CA 1.392 55.535 54.000 0.238 0.000 1.141 307 D CB -0.207 40.536 40.800 -0.095 0.000 1.027 307 D HN 0.553 nan 8.370 nan 0.000 1.223 308 T N -3.184 111.416 114.554 0.076 0.000 3.148 308 T HA 0.033 4.383 4.350 -0.001 0.000 0.253 308 T C 1.457 176.255 174.700 0.163 0.000 1.134 308 T CA 1.475 63.633 62.100 0.097 0.000 1.051 308 T CB -0.404 68.517 68.868 0.088 0.000 0.959 308 T HN 0.468 nan 8.240 nan 0.000 0.525 309 H N 2.531 121.741 119.070 0.234 0.000 2.352 309 H HA 0.021 4.577 4.556 -0.000 0.000 0.299 309 H C -0.929 174.514 175.328 0.191 0.000 1.097 309 H CA 1.032 57.225 56.048 0.241 0.000 1.311 309 H CB -0.667 29.248 29.762 0.256 0.000 1.377 309 H HN 0.444 nan 8.280 nan 0.000 0.504 310 P HA 0.144 nan 4.420 nan 0.000 0.262 310 P C 0.346 177.669 177.300 0.039 0.000 1.651 310 P CA 0.262 63.450 63.100 0.148 0.000 1.119 310 P CB 0.575 32.364 31.700 0.148 0.000 1.552 311 T N 0.198 114.776 114.554 0.040 0.000 2.720 311 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 311 T C 1.562 176.204 174.700 -0.096 0.000 1.037 311 T CA 1.104 63.166 62.100 -0.064 0.000 1.144 311 T CB -0.649 68.213 68.868 -0.010 0.000 0.864 311 T HN 0.081 nan 8.240 nan 0.000 0.444 312 I N 1.461 122.024 120.570 -0.013 0.000 2.567 312 I HA -0.100 4.069 4.170 -0.001 0.000 0.257 312 I C 2.385 178.503 176.117 0.002 0.000 1.184 312 I CA 0.514 61.815 61.300 0.002 0.000 1.451 312 I CB -0.429 37.580 38.000 0.014 0.000 1.089 312 I HN 0.188 nan 8.210 nan 0.000 0.441 313 A N 0.442 123.226 122.820 -0.060 0.000 1.986 313 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 313 A C 2.267 179.752 177.584 -0.166 0.000 1.171 313 A CA 2.076 54.083 52.037 -0.051 0.000 0.640 313 A CB -0.909 18.088 19.000 -0.006 0.000 0.811 313 A HN 0.523 nan 8.150 nan 0.000 0.451 314 I N 0.257 120.516 120.570 -0.519 0.000 2.090 314 I HA -0.152 4.017 4.170 -0.001 0.000 0.236 314 I C -0.318 175.747 176.117 -0.087 0.000 1.064 314 I CA 1.591 62.565 61.300 -0.544 0.000 1.324 314 I CB -1.206 36.443 38.000 -0.585 0.000 1.044 314 I HN 0.231 nan 8.210 nan 0.000 0.399 315 P HA -0.193 nan 4.420 nan 0.000 0.220 315 P C 1.276 178.664 177.300 0.147 0.000 1.148 315 P CA 1.577 64.743 63.100 0.111 0.000 0.803 315 P CB -0.023 31.778 31.700 0.169 0.000 0.782 316 E N 0.180 120.527 120.200 0.245 0.000 2.106 316 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 316 E C 1.911 178.617 176.600 0.176 0.000 0.984 316 E CA 0.728 57.313 56.400 0.308 0.000 0.806 316 E CB -1.146 28.762 29.700 0.346 0.000 0.750 316 E HN 0.019 nan 8.360 nan 0.000 0.458 317 L N 0.204 121.524 121.223 0.163 0.000 2.056 317 L HA -0.015 4.324 4.340 -0.001 0.000 0.207 317 L C 2.095 179.010 176.870 0.075 0.000 1.078 317 L CA 1.525 56.449 54.840 0.139 0.000 0.749 317 L CB -0.572 41.625 42.059 0.231 0.000 0.901 317 L HN 0.291 nan 8.230 nan 0.000 0.433 318 L N -0.698 120.550 121.223 0.041 0.000 2.012 318 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 318 L C 2.807 179.676 176.870 -0.001 0.000 1.073 318 L CA 1.688 56.503 54.840 -0.040 0.000 0.748 318 L CB -0.566 41.431 42.059 -0.102 0.000 0.891 318 L HN 0.322 nan 8.230 nan 0.000 0.431 319 R N 0.028 120.532 120.500 0.007 0.000 2.097 319 R HA -0.182 4.157 4.340 -0.001 0.000 0.236 319 R C 2.214 178.554 176.300 0.066 0.000 1.135 319 R CA 2.124 58.221 56.100 -0.004 0.000 0.934 319 R CB -0.358 29.878 30.300 -0.105 0.000 0.846 319 R HN 0.150 nan 8.270 nan 0.000 0.431 320 V N 1.494 121.470 119.914 0.104 0.000 2.332 320 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 320 V C 2.417 178.632 176.094 0.202 0.000 1.055 320 V CA 1.861 64.246 62.300 0.142 0.000 1.038 320 V CB -0.441 31.476 31.823 0.157 0.000 0.651 320 V HN 0.335 nan 8.190 nan 0.000 0.450 321 L N -0.871 120.450 121.223 0.163 0.000 2.027 321 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 321 L C 2.342 179.306 176.870 0.155 0.000 1.074 321 L CA 1.612 56.559 54.840 0.177 0.000 0.745 321 L CB -0.505 41.588 42.059 0.056 0.000 0.898 321 L HN 0.227 nan 8.230 nan 0.000 0.433 322 I N -0.092 120.537 120.570 0.099 0.000 2.133 322 I HA -0.271 3.898 4.170 -0.001 0.000 0.238 322 I C 1.985 178.160 176.117 0.096 0.000 1.074 322 I CA 1.397 62.760 61.300 0.104 0.000 1.342 322 I CB -0.341 37.729 38.000 0.117 0.000 1.053 322 I HN 0.241 nan 8.210 nan 0.000 0.404 323 D N 0.169 120.617 120.400 0.081 0.000 2.213 323 D HA -0.086 4.554 4.640 -0.001 0.000 0.205 323 D C 1.962 178.272 176.300 0.017 0.000 0.961 323 D CA 1.014 55.052 54.000 0.063 0.000 0.853 323 D CB -0.001 40.847 40.800 0.080 0.000 0.967 323 D HN 0.436 nan 8.370 nan 0.000 0.496 324 E N -0.790 119.392 120.200 -0.030 0.000 2.413 324 E HA 0.060 4.409 4.350 -0.001 0.000 0.203 324 E C 0.784 177.137 176.600 -0.412 0.000 0.957 324 E CA 0.248 56.528 56.400 -0.200 0.000 0.950 324 E CB 0.458 30.017 29.700 -0.235 0.000 0.957 324 E HN 0.367 nan 8.360 nan 0.000 0.497 325 H N 0.401 119.498 119.070 0.045 0.000 2.674 325 H HA 0.201 4.757 4.556 -0.001 0.000 0.274 325 H C -0.132 175.226 175.328 0.050 0.000 1.121 325 H CA 0.055 56.131 56.048 0.047 0.000 1.132 325 H CB 0.684 30.476 29.762 0.050 0.000 1.606 325 H HN 0.072 nan 8.280 nan 0.000 0.558 326 Q N 0.250 120.114 119.800 0.107 0.000 2.461 326 Q HA -0.195 4.145 4.340 -0.001 0.000 0.273 326 Q C -0.070 175.993 176.000 0.106 0.000 1.163 326 Q CA 0.521 56.379 55.803 0.092 0.000 0.929 326 Q CB -1.331 27.448 28.738 0.069 0.000 1.334 326 Q HN 0.502 nan 8.270 nan 0.000 0.499 327 M N 0.556 120.229 119.600 0.122 0.000 2.240 327 M HA 0.131 4.611 4.480 -0.001 0.000 0.333 327 M C 0.883 177.251 176.300 0.114 0.000 1.110 327 M CA 0.296 55.660 55.300 0.107 0.000 1.173 327 M CB 0.722 33.378 32.600 0.094 0.000 1.458 327 M HN 0.312 nan 8.290 nan 0.000 0.458 328 S N 1.906 117.676 115.700 0.116 0.000 2.593 328 S HA 0.008 4.478 4.470 -0.001 0.000 0.269 328 S C 0.890 175.612 174.600 0.203 0.000 1.334 328 S CA -0.804 57.490 58.200 0.157 0.000 1.015 328 S CB 0.653 63.938 63.200 0.141 0.000 0.912 328 S HN 0.953 nan 8.310 nan 0.000 0.541 329 W N 1.962 123.315 121.300 0.088 0.000 2.304 329 W HA -0.221 4.438 4.660 -0.002 0.000 0.315 329 W C 0.840 177.452 176.519 0.156 0.000 1.233 329 W CA 2.332 59.744 57.345 0.112 0.000 1.261 329 W CB -0.689 28.813 29.460 0.069 0.000 1.150 329 W HN 0.760 nan 8.180 nan 0.000 0.494 330 D N 0.216 120.814 120.400 0.330 0.000 2.144 330 D HA -0.168 4.472 4.640 -0.001 0.000 0.199 330 D C 1.573 177.975 176.300 0.170 0.000 0.984 330 D CA 1.656 55.816 54.000 0.267 0.000 0.834 330 D CB -0.663 40.274 40.800 0.229 0.000 0.955 330 D HN 0.158 nan 8.370 nan 0.000 0.465 331 D N 0.348 120.821 120.400 0.121 0.000 2.149 331 D HA -0.035 4.605 4.640 -0.001 0.000 0.201 331 D C 1.996 178.322 176.300 0.043 0.000 0.972 331 D CA 0.953 55.002 54.000 0.082 0.000 0.835 331 D CB -0.182 40.660 40.800 0.070 0.000 0.966 331 D HN 0.120 nan 8.370 nan 0.000 0.476 332 A N 0.827 123.649 122.820 0.004 0.000 1.855 332 A HA -0.157 4.163 4.320 -0.001 0.000 0.215 332 A C 2.157 179.685 177.584 -0.094 0.000 1.191 332 A CA 0.959 52.957 52.037 -0.065 0.000 0.613 332 A CB -1.230 17.698 19.000 -0.120 0.000 0.829 332 A HN 0.395 nan 8.150 nan 0.000 0.442 333 W N 0.901 121.995 121.300 -0.344 0.000 2.325 333 W HA -0.249 4.409 4.660 -0.002 0.000 0.299 333 W C 2.313 178.778 176.519 -0.090 0.000 1.215 333 W CA 2.161 59.351 57.345 -0.258 0.000 1.244 333 W CB -0.264 29.039 29.460 -0.262 0.000 1.140 333 W HN 0.446 nan 8.180 nan 0.000 0.523 334 A N 0.475 123.356 122.820 0.101 0.000 1.940 334 A HA -0.206 4.114 4.320 -0.001 0.000 0.219 334 A C 1.992 179.527 177.584 -0.080 0.000 1.176 334 A CA 1.990 54.049 52.037 0.036 0.000 0.631 334 A CB -0.920 18.127 19.000 0.079 0.000 0.814 334 A HN 0.349 nan 8.150 nan 0.000 0.446 335 I N -0.206 120.305 120.570 -0.100 0.000 2.235 335 I HA -0.191 3.979 4.170 -0.001 0.000 0.241 335 I C 2.927 178.912 176.117 -0.220 0.000 1.085 335 I CA 1.741 62.955 61.300 -0.142 0.000 1.378 335 I CB -0.646 37.284 38.000 -0.117 0.000 1.076 335 I HN 0.511 nan 8.210 nan 0.000 0.415 336 T N -1.267 113.135 114.554 -0.254 0.000 2.746 336 T HA -0.178 4.172 4.350 -0.001 0.000 0.267 336 T C 1.939 176.481 174.700 -0.262 0.000 1.039 336 T CA 1.506 63.466 62.100 -0.234 0.000 1.142 336 T CB -0.885 67.870 68.868 -0.187 0.000 0.866 336 T HN 0.420 nan 8.240 nan 0.000 0.444 337 S N 0.835 116.205 115.700 -0.551 0.000 2.547 337 S HA 0.092 4.561 4.470 -0.001 0.000 0.235 337 S C 1.625 176.139 174.600 -0.143 0.000 0.980 337 S CA 0.155 58.067 58.200 -0.480 0.000 0.941 337 S CB -0.263 62.482 63.200 -0.757 0.000 0.763 337 S HN 0.285 nan 8.310 nan 0.000 0.532 338 K N 0.616 120.914 120.400 -0.170 0.000 2.358 338 K HA 0.322 4.642 4.320 -0.001 0.000 0.200 338 K C 1.019 177.468 176.600 -0.252 0.000 1.030 338 K CA 0.331 56.484 56.287 -0.224 0.000 1.097 338 K CB 0.112 32.460 32.500 -0.254 0.000 0.862 338 K HN 0.395 nan 8.250 nan 0.000 0.534 339 T N -0.301 114.176 114.554 -0.128 0.000 3.038 339 T HA 0.248 4.597 4.350 -0.001 0.000 0.244 339 T C -0.018 174.651 174.700 -0.051 0.000 1.016 339 T CA 0.156 62.121 62.100 -0.225 0.000 1.098 339 T CB 0.133 68.684 68.868 -0.528 0.000 0.954 339 T HN -0.100 nan 8.240 nan 0.000 0.469 340 F N 1.978 122.029 119.950 0.168 0.000 2.408 340 F HA 0.700 5.227 4.527 -0.001 0.000 0.344 340 F C 0.412 176.168 175.800 -0.074 0.000 1.112 340 F CA -1.417 56.621 58.000 0.064 0.000 1.096 340 F CB 0.798 39.762 39.000 -0.060 0.000 1.129 340 F HN 0.005 nan 8.300 nan 0.000 0.486 341 A N 3.488 126.329 122.820 0.035 0.000 2.355 341 A HA 0.696 5.016 4.320 -0.001 0.000 0.324 341 A C -2.085 175.528 177.584 0.048 0.000 1.117 341 A CA -0.631 51.250 52.037 -0.261 0.000 0.785 341 A CB 1.018 19.816 19.000 -0.337 0.000 1.254 341 A HN 0.680 nan 8.150 nan 0.000 0.453 342 Y N 0.958 121.170 120.300 -0.146 0.000 2.350 342 Y HA 0.613 5.162 4.550 -0.002 0.000 0.338 342 Y C -0.448 175.449 175.900 -0.005 0.000 0.961 342 Y CA -0.399 57.665 58.100 -0.061 0.000 1.100 342 Y CB 1.925 40.316 38.460 -0.115 0.000 1.179 342 Y HN 0.553 nan 8.280 nan 0.000 0.454 343 T N 6.853 121.125 114.554 -0.471 0.000 2.771 343 T HA 0.207 4.556 4.350 -0.001 0.000 0.281 343 T C -0.616 173.577 174.700 -0.845 0.000 0.982 343 T CA -0.808 60.968 62.100 -0.540 0.000 0.978 343 T CB 0.283 68.994 68.868 -0.261 0.000 0.930 343 T HN 0.684 nan 8.240 nan 0.000 0.447 344 N N 2.351 120.638 118.700 -0.688 0.000 2.414 344 N HA 0.067 4.806 4.740 -0.001 0.000 0.256 344 N C 0.264 175.753 175.510 -0.035 0.000 1.029 344 N CA -0.275 52.647 53.050 -0.213 0.000 0.948 344 N CB 0.531 39.081 38.487 0.105 0.000 1.102 344 N HN 0.666 nan 8.380 nan 0.000 0.496 345 H N 1.755 120.838 119.070 0.021 0.000 2.586 345 H HA 0.120 4.675 4.556 -0.000 0.000 0.273 345 H C -0.108 175.133 175.328 -0.145 0.000 0.997 345 H CA 0.257 56.283 56.048 -0.035 0.000 1.177 345 H CB 1.067 30.827 29.762 -0.003 0.000 1.471 345 H HN 0.507 nan 8.280 nan 0.000 0.538 346 T N 0.049 114.610 114.554 0.011 0.000 3.128 346 T HA 0.148 4.497 4.350 -0.001 0.000 0.363 346 T C 0.254 174.964 174.700 0.015 0.000 1.610 346 T CA -0.614 61.438 62.100 -0.079 0.000 1.126 346 T CB 0.574 69.414 68.868 -0.046 0.000 1.416 346 T HN 0.065 nan 8.240 nan 0.000 0.480 347 L N 3.102 124.314 121.223 -0.019 0.000 2.610 347 L HA 0.251 4.591 4.340 -0.001 0.000 0.232 347 L C 1.259 178.105 176.870 -0.041 0.000 1.149 347 L CA 0.160 54.995 54.840 -0.009 0.000 0.872 347 L CB -0.211 41.834 42.059 -0.023 0.000 0.992 347 L HN 0.490 nan 8.230 nan 0.000 0.447 348 M N 1.523 121.085 119.600 -0.064 0.000 2.252 348 M HA 0.046 4.526 4.480 -0.001 0.000 0.348 348 M C -1.022 175.293 176.300 0.026 0.000 1.334 348 M CA -1.485 53.812 55.300 -0.005 0.000 1.071 348 M CB 0.219 32.848 32.600 0.048 0.000 1.763 348 M HN -0.182 nan 8.290 nan 0.000 0.452 349 P HA -0.198 nan 4.420 nan 0.000 0.218 349 P C 0.928 178.222 177.300 -0.010 0.000 1.148 349 P CA 1.442 64.547 63.100 0.008 0.000 0.822 349 P CB -0.221 31.482 31.700 0.004 0.000 0.784 350 E N 0.889 121.087 120.200 -0.003 0.000 2.209 350 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 350 E C 1.647 178.240 176.600 -0.013 0.000 0.993 350 E CA 1.576 57.958 56.400 -0.030 0.000 0.819 350 E CB -1.035 28.644 29.700 -0.036 0.000 0.745 350 E HN 0.219 nan 8.360 nan 0.000 0.477 351 A N 0.925 123.748 122.820 0.006 0.000 2.275 351 A HA 0.270 4.590 4.320 -0.001 0.000 0.212 351 A C 1.144 178.734 177.584 0.011 0.000 1.201 351 A CA -0.227 51.801 52.037 -0.014 0.000 0.843 351 A CB -0.058 18.941 19.000 -0.002 0.000 0.873 351 A HN 0.158 nan 8.150 nan 0.000 0.492 352 L N 1.405 122.638 121.223 0.018 0.000 2.603 352 L HA 0.264 4.603 4.340 -0.001 0.000 0.242 352 L C -0.430 176.425 176.870 -0.024 0.000 1.169 352 L CA -0.293 54.575 54.840 0.047 0.000 1.029 352 L CB 0.654 42.755 42.059 0.069 0.000 1.361 352 L HN 0.266 nan 8.230 nan 0.000 0.439 353 E N 2.123 122.289 120.200 -0.057 0.000 2.392 353 E HA 0.316 4.665 4.350 -0.001 0.000 0.264 353 E C -0.350 176.066 176.600 -0.306 0.000 1.024 353 E CA 0.005 56.264 56.400 -0.236 0.000 0.903 353 E CB 0.910 30.503 29.700 -0.178 0.000 0.963 353 E HN 0.361 nan 8.360 nan 0.000 0.432 354 R N 2.459 122.632 120.500 -0.546 0.000 2.628 354 R HA 0.389 4.729 4.340 -0.001 0.000 0.288 354 R C -1.358 174.524 176.300 -0.698 0.000 0.980 354 R CA -0.723 55.079 56.100 -0.496 0.000 0.891 354 R CB 1.375 31.444 30.300 -0.385 0.000 1.188 354 R HN 0.467 nan 8.270 nan 0.000 0.450 355 W N 1.419 122.677 121.300 -0.070 0.000 2.736 355 W HA 0.301 4.961 4.660 0.000 0.000 0.335 355 W C -0.379 176.128 176.519 -0.021 0.000 1.059 355 W CA -0.736 56.597 57.345 -0.022 0.000 1.226 355 W CB 1.388 30.846 29.460 -0.005 0.000 1.416 355 W HN 0.313 nan 8.180 nan 0.000 0.505 356 D N 1.374 121.933 120.400 0.265 0.000 2.424 356 D HA -0.012 4.628 4.640 -0.001 0.000 0.244 356 D C 1.153 177.556 176.300 0.171 0.000 1.134 356 D CA 0.147 54.251 54.000 0.173 0.000 0.881 356 D CB 1.802 42.704 40.800 0.169 0.000 1.191 356 D HN 0.124 nan 8.370 nan 0.000 0.445 357 V N 3.114 123.099 119.914 0.118 0.000 2.392 357 V HA -0.288 3.832 4.120 -0.001 0.000 0.249 357 V C 2.427 178.574 176.094 0.088 0.000 1.059 357 V CA 1.998 64.356 62.300 0.098 0.000 1.051 357 V CB -0.397 31.474 31.823 0.078 0.000 0.658 357 V HN 0.633 nan 8.190 nan 0.000 0.455 358 K N -0.154 120.302 120.400 0.093 0.000 2.063 358 K HA -0.242 4.077 4.320 -0.001 0.000 0.208 358 K C 2.077 178.743 176.600 0.109 0.000 1.048 358 K CA 1.944 58.283 56.287 0.088 0.000 0.928 358 K CB -0.278 32.273 32.500 0.084 0.000 0.713 358 K HN 0.365 nan 8.250 nan 0.000 0.442 359 L N 0.495 121.808 121.223 0.150 0.000 2.044 359 L HA -0.086 4.254 4.340 -0.001 0.000 0.205 359 L C 1.963 178.855 176.870 0.036 0.000 1.075 359 L CA 1.351 56.279 54.840 0.147 0.000 0.747 359 L CB -0.275 41.913 42.059 0.215 0.000 0.903 359 L HN 0.038 nan 8.230 nan 0.000 0.435 360 V N -0.233 119.695 119.914 0.024 0.000 2.427 360 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 360 V C 2.617 178.681 176.094 -0.049 0.000 1.051 360 V CA 1.922 64.186 62.300 -0.060 0.000 1.048 360 V CB -0.758 31.044 31.823 -0.035 0.000 0.666 360 V HN 0.478 nan 8.190 nan 0.000 0.456 361 K N 0.342 120.742 120.400 -0.001 0.000 2.057 361 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 361 K C 2.173 178.774 176.600 0.002 0.000 1.049 361 K CA 1.618 57.904 56.287 -0.002 0.000 0.931 361 K CB -0.533 31.982 32.500 0.024 0.000 0.714 361 K HN 0.506 nan 8.250 nan 0.000 0.440 362 G N 0.979 109.794 108.800 0.026 0.000 2.404 362 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.215 362 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.215 362 G C 1.334 176.255 174.900 0.034 0.000 1.174 362 G CA 0.271 45.398 45.100 0.045 0.000 0.780 362 G HN 0.132 nan 8.290 nan 0.000 0.537 363 L N -0.145 121.072 121.223 -0.009 0.000 2.044 363 L HA 0.309 4.648 4.340 -0.001 0.000 0.205 363 L C 1.331 178.162 176.870 -0.066 0.000 1.075 363 L CA 1.213 56.032 54.840 -0.036 0.000 0.747 363 L CB -0.424 41.565 42.059 -0.118 0.000 0.903 363 L HN 0.119 nan 8.230 nan 0.000 0.435 364 L N 0.675 121.799 121.223 -0.164 0.000 2.551 364 L HA 0.229 4.568 4.340 -0.001 0.000 0.248 364 L C -1.617 175.091 176.870 -0.269 0.000 1.509 364 L CA -0.753 53.898 54.840 -0.316 0.000 0.842 364 L CB 1.155 42.898 42.059 -0.527 0.000 1.087 364 L HN -0.032 nan 8.230 nan 0.000 0.512 365 P HA -0.154 nan 4.420 nan 0.000 0.221 365 P C 1.395 178.540 177.300 -0.259 0.000 1.150 365 P CA 0.918 63.910 63.100 -0.181 0.000 0.800 365 P CB 0.421 32.071 31.700 -0.083 0.000 0.787 366 R N 0.080 120.262 120.500 -0.530 0.000 2.090 366 R HA -0.112 4.228 4.340 -0.001 0.000 0.228 366 R C 2.236 178.290 176.300 -0.410 0.000 1.110 366 R CA 1.569 57.384 56.100 -0.475 0.000 0.973 366 R CB -1.602 28.309 30.300 -0.649 0.000 0.869 366 R HN 0.215 nan 8.270 nan 0.000 0.440 367 H N -0.951 117.877 119.070 -0.404 0.000 2.353 367 H HA -0.064 4.491 4.556 -0.001 0.000 0.300 367 H C 1.668 176.928 175.328 -0.113 0.000 1.090 367 H CA 1.973 57.883 56.048 -0.229 0.000 1.327 367 H CB -0.178 29.413 29.762 -0.286 0.000 1.383 367 H HN 0.133 nan 8.280 nan 0.000 0.508 368 M N 0.716 120.300 119.600 -0.026 0.000 2.117 368 M HA -0.173 4.306 4.480 -0.001 0.000 0.262 368 M C 1.855 178.167 176.300 0.021 0.000 1.065 368 M CA 1.577 56.881 55.300 0.008 0.000 1.114 368 M CB -0.104 32.492 32.600 -0.006 0.000 1.361 368 M HN 0.227 nan 8.290 nan 0.000 0.408 369 Q N -0.369 119.424 119.800 -0.011 0.000 2.061 369 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 369 Q C 2.131 178.162 176.000 0.052 0.000 0.984 369 Q CA 2.087 57.894 55.803 0.008 0.000 0.846 369 Q CB -0.429 28.301 28.738 -0.013 0.000 0.902 369 Q HN 0.552 nan 8.270 nan 0.000 0.421 370 I N 0.284 120.900 120.570 0.076 0.000 2.226 370 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 370 I C 2.180 178.451 176.117 0.257 0.000 1.100 370 I CA 1.056 62.485 61.300 0.215 0.000 1.374 370 I CB -0.182 37.921 38.000 0.172 0.000 1.057 370 I HN 0.185 nan 8.210 nan 0.000 0.413 371 I N 0.737 121.414 120.570 0.177 0.000 2.163 371 I HA -0.325 3.844 4.170 -0.001 0.000 0.243 371 I C 2.218 178.437 176.117 0.171 0.000 1.085 371 I CA 1.316 62.727 61.300 0.184 0.000 1.347 371 I CB -0.510 37.575 38.000 0.142 0.000 1.044 371 I HN 0.293 nan 8.210 nan 0.000 0.408 372 N N 0.417 119.190 118.700 0.121 0.000 2.149 372 N HA -0.238 4.501 4.740 -0.001 0.000 0.188 372 N C 1.813 177.357 175.510 0.056 0.000 1.019 372 N CA 1.317 54.426 53.050 0.099 0.000 0.857 372 N CB -0.259 38.265 38.487 0.062 0.000 0.997 372 N HN 0.369 nan 8.380 nan 0.000 0.426 373 E N 0.986 121.180 120.200 -0.010 0.000 2.072 373 E HA 0.028 4.378 4.350 -0.001 0.000 0.190 373 E C 2.013 178.511 176.600 -0.171 0.000 0.982 373 E CA 0.665 56.934 56.400 -0.219 0.000 0.803 373 E CB -0.260 29.163 29.700 -0.462 0.000 0.755 373 E HN 0.316 nan 8.360 nan 0.000 0.453 374 I N 0.795 121.426 120.570 0.102 0.000 2.163 374 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 374 I C 2.304 178.551 176.117 0.216 0.000 1.085 374 I CA 1.499 62.930 61.300 0.218 0.000 1.347 374 I CB -0.504 37.714 38.000 0.364 0.000 1.044 374 I HN 0.215 nan 8.210 nan 0.000 0.408 375 N N 0.545 119.399 118.700 0.257 0.000 2.058 375 N HA -0.167 4.573 4.740 -0.001 0.000 0.191 375 N C 1.782 177.531 175.510 0.397 0.000 1.037 375 N CA 2.156 55.452 53.050 0.410 0.000 0.848 375 N CB -0.242 38.465 38.487 0.366 0.000 1.021 375 N HN 0.175 nan 8.380 nan 0.000 0.422 376 T N 0.345 115.006 114.554 0.178 0.000 2.684 376 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 376 T C 1.902 176.593 174.700 -0.016 0.000 1.036 376 T CA 1.275 63.398 62.100 0.039 0.000 1.148 376 T CB -0.188 68.656 68.868 -0.039 0.000 0.863 376 T HN 0.291 nan 8.240 nan 0.000 0.436 377 R N -0.189 120.291 120.500 -0.033 0.000 2.092 377 R HA 0.012 4.351 4.340 -0.001 0.000 0.231 377 R C 2.171 178.531 176.300 0.100 0.000 1.119 377 R CA 1.147 57.217 56.100 -0.050 0.000 0.970 377 R CB -0.414 29.782 30.300 -0.174 0.000 0.864 377 R HN 0.332 nan 8.270 nan 0.000 0.440 378 F N 2.097 122.098 119.950 0.085 0.000 2.206 378 F HA -0.072 4.454 4.527 -0.003 0.000 0.298 378 F C 2.109 178.043 175.800 0.223 0.000 1.090 378 F CA 1.218 59.356 58.000 0.231 0.000 1.323 378 F CB -0.155 39.071 39.000 0.377 0.000 1.028 378 F HN -0.218 nan 8.300 nan 0.000 0.492 379 K N -0.267 120.103 120.400 -0.050 0.000 2.089 379 K HA -0.222 4.098 4.320 -0.001 0.000 0.210 379 K C 1.949 178.283 176.600 -0.443 0.000 1.048 379 K CA 2.166 58.058 56.287 -0.659 0.000 0.926 379 K CB -0.444 31.562 32.500 -0.823 0.000 0.714 379 K HN 0.286 nan 8.250 nan 0.000 0.448 380 T N 1.818 116.228 114.554 -0.241 0.000 2.653 380 T HA -0.210 4.140 4.350 -0.001 0.000 0.268 380 T C 1.618 176.242 174.700 -0.128 0.000 1.035 380 T CA 1.555 63.560 62.100 -0.158 0.000 1.154 380 T CB -0.258 68.557 68.868 -0.088 0.000 0.862 380 T HN 0.153 nan 8.240 nan 0.000 0.441 381 L N 1.237 122.400 121.223 -0.100 0.000 2.056 381 L HA 0.019 4.358 4.340 -0.001 0.000 0.207 381 L C 2.482 179.289 176.870 -0.105 0.000 1.078 381 L CA 1.419 56.224 54.840 -0.059 0.000 0.749 381 L CB -0.887 41.222 42.059 0.083 0.000 0.901 381 L HN 0.114 nan 8.230 nan 0.000 0.433 382 V N -0.092 119.687 119.914 -0.224 0.000 2.407 382 V HA -0.261 3.859 4.120 -0.001 0.000 0.248 382 V C 2.617 178.760 176.094 0.081 0.000 1.055 382 V CA 1.764 64.071 62.300 0.011 0.000 1.049 382 V CB -0.734 31.087 31.823 -0.004 0.000 0.662 382 V HN 0.553 nan 8.190 nan 0.000 0.455 383 E N 1.026 121.167 120.200 -0.098 0.000 2.072 383 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 383 E C 2.231 178.801 176.600 -0.050 0.000 0.985 383 E CA 1.491 57.840 56.400 -0.085 0.000 0.801 383 E CB -0.399 29.195 29.700 -0.177 0.000 0.750 383 E HN 0.467 nan 8.360 nan 0.000 0.452 384 K N -0.844 119.513 120.400 -0.072 0.000 2.280 384 K HA -0.084 4.236 4.320 -0.001 0.000 0.202 384 K C 1.080 177.606 176.600 -0.123 0.000 1.047 384 K CA 1.600 57.839 56.287 -0.080 0.000 0.942 384 K CB 0.058 32.515 32.500 -0.072 0.000 0.739 384 K HN 0.202 nan 8.250 nan 0.000 0.457 385 T N -1.030 113.435 114.554 -0.148 0.000 3.038 385 T HA 0.066 4.415 4.350 -0.001 0.000 0.244 385 T C 0.073 174.461 174.700 -0.520 0.000 1.016 385 T CA 0.173 62.020 62.100 -0.421 0.000 1.098 385 T CB 0.222 68.701 68.868 -0.648 0.000 0.954 385 T HN 0.225 nan 8.240 nan 0.000 0.469 386 W N 3.055 124.312 121.300 -0.072 0.000 2.319 386 W HA 0.349 5.002 4.660 -0.011 0.000 0.288 386 W C -3.158 173.326 176.519 -0.057 0.000 0.959 386 W CA -2.707 54.605 57.345 -0.055 0.000 1.784 386 W CB -0.071 29.362 29.460 -0.045 0.000 1.848 386 W HN 0.032 nan 8.180 nan 0.000 0.408 387 P HA -0.031 nan 4.420 nan 0.000 0.258 387 P C 1.089 178.416 177.300 0.044 0.000 1.172 387 P CA 1.903 65.022 63.100 0.033 0.000 0.762 387 P CB 0.378 32.076 31.700 -0.003 0.000 0.764 388 G N 2.710 111.520 108.800 0.018 0.000 2.196 388 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.268 388 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.268 388 G C 0.296 175.216 174.900 0.034 0.000 0.975 388 G CA 0.111 45.218 45.100 0.012 0.000 0.648 388 G HN 0.613 nan 8.290 nan 0.000 0.538 389 D N 0.756 121.196 120.400 0.067 0.000 2.348 389 D HA 0.307 4.947 4.640 -0.001 0.000 0.259 389 D C 1.408 177.737 176.300 0.049 0.000 1.296 389 D CA -0.060 53.974 54.000 0.057 0.000 0.931 389 D CB 0.214 41.062 40.800 0.080 0.000 1.067 389 D HN 0.537 nan 8.370 nan 0.000 0.503 390 E N 2.329 122.558 120.200 0.049 0.000 2.152 390 E HA -0.106 4.244 4.350 -0.001 0.000 0.192 390 E C 1.506 178.130 176.600 0.040 0.000 0.983 390 E CA 0.604 57.059 56.400 0.091 0.000 0.818 390 E CB 0.423 30.176 29.700 0.087 0.000 0.758 390 E HN 0.410 nan 8.360 nan 0.000 0.467 391 K N 0.218 120.601 120.400 -0.029 0.000 2.057 391 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 391 K C 2.094 178.582 176.600 -0.187 0.000 1.050 391 K CA 0.796 57.023 56.287 -0.099 0.000 0.935 391 K CB -0.009 32.435 32.500 -0.092 0.000 0.715 391 K HN -0.009 nan 8.250 nan 0.000 0.439 392 V N 0.893 120.675 119.914 -0.220 0.000 2.358 392 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 392 V C 1.847 177.765 176.094 -0.293 0.000 1.047 392 V CA 1.353 63.418 62.300 -0.392 0.000 1.035 392 V CB -0.340 31.046 31.823 -0.729 0.000 0.658 392 V HN 0.562 nan 8.190 nan 0.000 0.452 393 W N 0.702 121.826 121.300 -0.292 0.000 2.363 393 W HA -0.210 4.448 4.660 -0.003 0.000 0.296 393 W C 2.311 178.660 176.519 -0.284 0.000 1.212 393 W CA 1.575 58.789 57.345 -0.218 0.000 1.260 393 W CB -0.198 29.194 29.460 -0.114 0.000 1.131 393 W HN 0.321 nan 8.180 nan 0.000 0.530 394 A N 1.004 123.487 122.820 -0.562 0.000 1.940 394 A HA -0.255 4.064 4.320 -0.001 0.000 0.219 394 A C 2.081 179.208 177.584 -0.761 0.000 1.176 394 A CA 1.911 53.356 52.037 -0.987 0.000 0.631 394 A CB -0.914 17.698 19.000 -0.646 0.000 0.814 394 A HN 0.245 nan 8.150 nan 0.000 0.446 395 K N -0.654 119.432 120.400 -0.523 0.000 2.057 395 K HA 0.037 4.356 4.320 -0.001 0.000 0.206 395 K C 1.625 177.968 176.600 -0.429 0.000 1.050 395 K CA 1.238 57.270 56.287 -0.426 0.000 0.935 395 K CB -0.208 32.075 32.500 -0.360 0.000 0.715 395 K HN 0.553 nan 8.250 nan 0.000 0.439 396 L N 0.296 121.251 121.223 -0.446 0.000 2.554 396 L HA 0.189 4.528 4.340 -0.001 0.000 0.225 396 L C 0.849 177.666 176.870 -0.088 0.000 1.104 396 L CA -0.369 54.337 54.840 -0.224 0.000 0.866 396 L CB 0.079 42.087 42.059 -0.085 0.000 1.047 396 L HN -0.048 nan 8.230 nan 0.000 0.468 397 A N 0.379 122.784 122.820 -0.692 0.000 2.511 397 A HA 0.212 4.531 4.320 -0.001 0.000 0.242 397 A C 1.325 178.790 177.584 -0.199 0.000 1.069 397 A CA -0.150 51.345 52.037 -0.903 0.000 0.763 397 A CB 0.672 18.856 19.000 -1.359 0.000 1.001 397 A HN -0.001 nan 8.150 nan 0.000 0.498 398 V N 2.483 122.439 119.914 0.070 0.000 2.453 398 V HA -0.086 4.034 4.120 -0.001 0.000 0.247 398 V C 0.650 176.885 176.094 0.234 0.000 1.048 398 V CA 1.480 63.885 62.300 0.174 0.000 1.049 398 V CB -0.453 31.491 31.823 0.201 0.000 0.672 398 V HN 0.576 nan 8.190 nan 0.000 0.457 399 V N 0.930 120.977 119.914 0.221 0.000 2.483 399 V HA 0.576 4.695 4.120 -0.001 0.000 0.297 399 V C -0.669 175.579 176.094 0.258 0.000 1.027 399 V CA -0.597 61.857 62.300 0.257 0.000 0.855 399 V CB 1.650 33.602 31.823 0.216 0.000 0.995 399 V HN 0.464 nan 8.190 nan 0.000 0.424 400 H N 3.789 122.962 119.070 0.171 0.000 3.112 400 H HA 0.224 4.781 4.556 0.001 0.000 0.347 400 H C -0.672 174.750 175.328 0.156 0.000 1.188 400 H CA -0.256 55.847 56.048 0.093 0.000 1.240 400 H CB 2.270 31.966 29.762 -0.109 0.000 1.920 400 H HN 0.754 nan 8.280 nan 0.000 0.535 401 D N 3.430 123.690 120.400 -0.234 0.000 2.723 401 D HA -0.170 4.469 4.640 -0.001 0.000 0.236 401 D C -0.063 176.255 176.300 0.029 0.000 1.138 401 D CA 1.517 55.488 54.000 -0.048 0.000 0.676 401 D CB -0.599 40.289 40.800 0.147 0.000 1.069 401 D HN 0.813 nan 8.370 nan 0.000 0.430 402 K N -1.363 119.045 120.400 0.013 0.000 3.020 402 K HA -0.269 4.050 4.320 -0.001 0.000 0.266 402 K C 0.233 176.869 176.600 0.059 0.000 1.067 402 K CA 1.170 57.481 56.287 0.040 0.000 0.780 402 K CB -0.966 31.552 32.500 0.030 0.000 1.220 402 K HN 0.545 nan 8.250 nan 0.000 0.483 403 Q N -0.067 119.776 119.800 0.070 0.000 2.423 403 Q HA 0.512 4.851 4.340 -0.001 0.000 0.278 403 Q C -0.612 175.396 176.000 0.013 0.000 1.097 403 Q CA -1.062 54.743 55.803 0.003 0.000 0.809 403 Q CB 2.827 31.477 28.738 -0.147 0.000 1.391 403 Q HN -0.013 nan 8.270 nan 0.000 0.428 404 V N 1.746 121.665 119.914 0.007 0.000 2.439 404 V HA 0.201 4.320 4.120 -0.001 0.000 0.282 404 V C -0.315 175.726 176.094 -0.088 0.000 1.039 404 V CA -0.596 61.745 62.300 0.069 0.000 0.913 404 V CB 0.900 32.822 31.823 0.166 0.000 0.983 404 V HN 0.666 nan 8.190 nan 0.000 0.460 405 H N 6.313 125.443 119.070 0.101 0.000 2.746 405 H HA 0.253 4.809 4.556 0.001 0.000 0.269 405 H C 0.519 175.891 175.328 0.074 0.000 1.248 405 H CA -0.677 55.415 56.048 0.074 0.000 1.258 405 H CB 1.378 31.177 29.762 0.062 0.000 1.441 405 H HN 0.542 nan 8.280 nan 0.000 0.508 406 M N 1.351 121.026 119.600 0.124 0.000 2.159 406 M HA -0.106 4.374 4.480 -0.001 0.000 0.263 406 M C 2.345 178.640 176.300 -0.009 0.000 1.063 406 M CA 0.969 56.323 55.300 0.091 0.000 1.110 406 M CB -0.973 31.713 32.600 0.144 0.000 1.374 406 M HN 0.602 nan 8.290 nan 0.000 0.411 407 A N 0.518 123.363 122.820 0.042 0.000 1.930 407 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 407 A C 2.029 179.563 177.584 -0.083 0.000 1.175 407 A CA 1.574 53.596 52.037 -0.024 0.000 0.627 407 A CB -0.672 18.493 19.000 0.276 0.000 0.815 407 A HN 0.445 nan 8.150 nan 0.000 0.443 408 N N 0.008 118.765 118.700 0.095 0.000 2.069 408 N HA -0.150 4.590 4.740 -0.001 0.000 0.191 408 N C 1.538 176.959 175.510 -0.148 0.000 1.031 408 N CA 1.445 54.534 53.050 0.065 0.000 0.852 408 N CB -0.624 37.996 38.487 0.221 0.000 1.018 408 N HN 0.392 nan 8.380 nan 0.000 0.423 409 L N 0.797 121.972 121.223 -0.080 0.000 2.079 409 L HA -0.127 4.213 4.340 -0.001 0.000 0.210 409 L C 1.996 178.716 176.870 -0.249 0.000 1.081 409 L CA 1.466 56.242 54.840 -0.107 0.000 0.752 409 L CB -0.826 41.222 42.059 -0.019 0.000 0.896 409 L HN 0.180 nan 8.230 nan 0.000 0.433 410 C N -2.121 116.944 119.300 -0.393 0.000 2.440 410 C HA -0.073 4.386 4.460 -0.001 0.000 0.278 410 C C 2.691 177.356 174.990 -0.541 0.000 1.295 410 C CA 0.785 59.467 59.018 -0.560 0.000 1.738 410 C CB -0.707 26.360 27.740 -1.123 0.000 1.987 410 C HN 0.475 nan 8.230 nan 0.000 0.492 411 V N 0.386 119.929 119.914 -0.618 0.000 2.302 411 V HA -0.134 3.986 4.120 -0.001 0.000 0.243 411 V C 2.409 178.131 176.094 -0.620 0.000 1.036 411 V CA 1.815 63.718 62.300 -0.662 0.000 1.020 411 V CB -0.686 30.546 31.823 -0.986 0.000 0.657 411 V HN 0.396 nan 8.190 nan 0.000 0.453 412 V N 1.112 120.682 119.914 -0.572 0.000 2.392 412 V HA -0.170 3.950 4.120 -0.001 0.000 0.249 412 V C 2.364 178.348 176.094 -0.183 0.000 1.059 412 V CA 2.190 64.237 62.300 -0.421 0.000 1.051 412 V CB -1.169 30.399 31.823 -0.425 0.000 0.658 412 V HN 0.623 nan 8.190 nan 0.000 0.455 413 G N -1.050 107.633 108.800 -0.195 0.000 3.042 413 G HA2 0.424 4.384 3.960 -0.001 0.000 0.212 413 G HA3 0.424 4.384 3.960 -0.001 0.000 0.212 413 G C 0.491 175.195 174.900 -0.326 0.000 1.166 413 G CA 0.643 45.609 45.100 -0.225 0.000 0.767 413 G HN 0.664 nan 8.290 nan 0.000 0.546 414 G N -0.650 107.977 108.800 -0.289 0.000 3.042 414 G HA2 0.478 4.438 3.960 -0.001 0.000 0.278 414 G HA3 0.478 4.438 3.960 -0.001 0.000 0.278 414 G C 0.097 174.884 174.900 -0.188 0.000 1.371 414 G CA -0.688 44.304 45.100 -0.180 0.000 1.009 414 G HN 0.264 nan 8.290 nan 0.000 0.523 415 F N -1.638 118.213 119.950 -0.165 0.000 2.704 415 F HA 0.760 5.287 4.527 -0.001 0.000 0.304 415 F C 0.397 176.137 175.800 -0.099 0.000 1.094 415 F CA -0.302 57.605 58.000 -0.155 0.000 1.275 415 F CB 0.433 39.375 39.000 -0.096 0.000 1.073 415 F HN 0.581 nan 8.300 nan 0.000 0.586 416 A N 0.524 122.918 122.820 -0.710 0.000 2.574 416 A HA 0.746 5.066 4.320 -0.001 0.000 0.297 416 A C -1.649 175.709 177.584 -0.377 0.000 1.062 416 A CA -0.667 51.089 52.037 -0.468 0.000 0.686 416 A CB 1.512 20.157 19.000 -0.591 0.000 1.285 416 A HN 0.061 nan 8.150 nan 0.000 0.403 417 V N 3.078 122.810 119.914 -0.304 0.000 2.789 417 V HA 0.679 4.798 4.120 -0.001 0.000 0.311 417 V C -0.773 175.279 176.094 -0.070 0.000 1.073 417 V CA -0.731 61.417 62.300 -0.253 0.000 0.921 417 V CB 2.043 33.549 31.823 -0.527 0.000 1.009 417 V HN 1.075 nan 8.190 nan 0.000 0.426 418 N N 2.193 120.855 118.700 -0.064 0.000 2.331 418 N HA 0.580 5.319 4.740 -0.001 0.000 0.280 418 N C -0.465 175.031 175.510 -0.024 0.000 1.155 418 N CA -0.303 52.745 53.050 -0.003 0.000 0.822 418 N CB 2.717 41.169 38.487 -0.058 0.000 1.619 418 N HN 0.724 nan 8.380 nan 0.000 0.476 419 G N -0.783 108.028 108.800 0.018 0.000 2.613 419 G HA2 0.470 4.429 3.960 -0.001 0.000 0.303 419 G HA3 0.470 4.429 3.960 -0.001 0.000 0.303 419 G C 0.680 175.677 174.900 0.162 0.000 1.312 419 G CA -0.369 44.798 45.100 0.112 0.000 1.036 419 G HN 0.723 nan 8.290 nan 0.000 0.513 420 V N -4.011 116.102 119.914 0.333 0.000 3.380 420 V HA 0.707 4.827 4.120 -0.001 0.000 0.307 420 V C 0.526 176.706 176.094 0.143 0.000 1.434 420 V CA 0.466 62.861 62.300 0.157 0.000 1.075 420 V CB -0.666 31.204 31.823 0.077 0.000 0.954 420 V HN 1.344 nan 8.190 nan 0.000 0.444 421 A N -0.639 122.279 122.820 0.164 0.000 2.601 421 A HA 0.883 5.202 4.320 -0.001 0.000 0.291 421 A C 0.854 178.497 177.584 0.099 0.000 1.075 421 A CA 0.023 52.134 52.037 0.124 0.000 0.671 421 A CB 0.817 19.883 19.000 0.110 0.000 1.277 421 A HN 0.858 nan 8.150 nan 0.000 0.417 422 A N 0.141 123.002 122.820 0.068 0.000 1.873 422 A HA -0.069 4.251 4.320 -0.001 0.000 0.218 422 A C 1.967 179.566 177.584 0.024 0.000 1.193 422 A CA 1.965 54.022 52.037 0.035 0.000 0.629 422 A CB -0.939 18.076 19.000 0.026 0.000 0.826 422 A HN 1.363 nan 8.150 nan 0.000 0.447 423 L N -1.156 120.089 121.223 0.037 0.000 2.012 423 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 423 L C 2.721 179.608 176.870 0.029 0.000 1.073 423 L CA 2.435 57.287 54.840 0.021 0.000 0.748 423 L CB -0.560 41.513 42.059 0.023 0.000 0.891 423 L HN 0.749 nan 8.230 nan 0.000 0.431 424 H N -1.016 118.040 119.070 -0.025 0.000 2.357 424 H HA -0.133 4.423 4.556 0.000 0.000 0.301 424 H C 2.131 177.445 175.328 -0.024 0.000 1.082 424 H CA 1.642 57.671 56.048 -0.032 0.000 1.342 424 H CB 0.315 30.062 29.762 -0.025 0.000 1.389 424 H HN 0.349 nan 8.280 nan 0.000 0.511 425 S N 0.086 115.685 115.700 -0.168 0.000 2.423 425 S HA -0.127 4.342 4.470 -0.001 0.000 0.231 425 S C 1.649 176.153 174.600 -0.160 0.000 1.014 425 S CA 1.278 59.364 58.200 -0.190 0.000 0.965 425 S CB -0.188 62.985 63.200 -0.044 0.000 0.785 425 S HN 0.565 nan 8.310 nan 0.000 0.495 426 D N 1.455 121.776 120.400 -0.131 0.000 2.103 426 D HA -0.017 4.623 4.640 -0.001 0.000 0.199 426 D C 1.779 177.983 176.300 -0.161 0.000 0.978 426 D CA 0.822 54.744 54.000 -0.131 0.000 0.829 426 D CB -0.140 40.609 40.800 -0.085 0.000 0.981 426 D HN 0.273 nan 8.370 nan 0.000 0.464 427 L N -0.172 120.954 121.223 -0.161 0.000 2.131 427 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 427 L C 2.491 179.234 176.870 -0.213 0.000 1.092 427 L CA 0.301 55.043 54.840 -0.163 0.000 0.759 427 L CB -0.320 41.669 42.059 -0.117 0.000 0.903 427 L HN 0.059 nan 8.230 nan 0.000 0.435 428 V N -0.615 119.131 119.914 -0.280 0.000 2.332 428 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 428 V C 2.329 178.355 176.094 -0.114 0.000 1.055 428 V CA 1.660 63.839 62.300 -0.202 0.000 1.038 428 V CB -0.188 31.554 31.823 -0.135 0.000 0.651 428 V HN 0.223 nan 8.190 nan 0.000 0.450 429 V N -1.039 118.759 119.914 -0.193 0.000 2.649 429 V HA -0.111 4.009 4.120 -0.001 0.000 0.248 429 V C 2.235 178.165 176.094 -0.272 0.000 1.054 429 V CA 1.676 63.758 62.300 -0.363 0.000 1.073 429 V CB -0.301 31.160 31.823 -0.603 0.000 0.699 429 V HN 0.499 nan 8.190 nan 0.000 0.463 430 K N -0.736 119.541 120.400 -0.203 0.000 2.242 430 K HA 0.021 4.341 4.320 -0.001 0.000 0.200 430 K C 1.441 177.969 176.600 -0.120 0.000 1.050 430 K CA 1.025 57.227 56.287 -0.143 0.000 0.981 430 K CB 0.124 32.551 32.500 -0.121 0.000 0.795 430 K HN 0.345 nan 8.250 nan 0.000 0.477 431 D N -0.343 119.972 120.400 -0.141 0.000 2.463 431 D HA -0.005 4.635 4.640 -0.001 0.000 0.237 431 D C 1.334 177.526 176.300 -0.180 0.000 1.013 431 D CA 0.360 54.276 54.000 -0.139 0.000 0.910 431 D CB 0.368 41.090 40.800 -0.131 0.000 1.080 431 D HN -0.041 nan 8.370 nan 0.000 0.498 432 L N -1.187 119.876 121.223 -0.266 0.000 2.269 432 L HA 0.290 4.630 4.340 -0.001 0.000 0.200 432 L C -0.052 176.536 176.870 -0.472 0.000 1.069 432 L CA 1.221 55.778 54.840 -0.471 0.000 0.804 432 L CB 0.150 41.802 42.059 -0.679 0.000 0.987 432 L HN -0.183 nan 8.230 nan 0.000 0.468 433 F N 0.771 120.762 119.950 0.068 0.000 2.761 433 F HA 0.447 4.973 4.527 -0.002 0.000 0.367 433 F C -1.695 174.113 175.800 0.014 0.000 1.386 433 F CA -2.485 55.607 58.000 0.153 0.000 1.177 433 F CB -0.484 38.801 39.000 0.476 0.000 1.092 433 F HN 0.004 nan 8.300 nan 0.000 0.517 434 P HA -0.192 nan 4.420 nan 0.000 0.215 434 P C 0.994 178.352 177.300 0.096 0.000 1.157 434 P CA 1.816 64.934 63.100 0.031 0.000 0.868 434 P CB 0.440 32.127 31.700 -0.021 0.000 0.788 435 E N -1.245 118.970 120.200 0.025 0.000 2.107 435 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 435 E C 2.155 178.872 176.600 0.195 0.000 0.982 435 E CA 0.972 57.401 56.400 0.049 0.000 0.809 435 E CB -0.943 28.582 29.700 -0.291 0.000 0.756 435 E HN 0.291 nan 8.360 nan 0.000 0.459 436 Y N 0.267 120.709 120.300 0.237 0.000 2.224 436 Y HA -0.190 4.361 4.550 0.002 0.000 0.289 436 Y C 2.397 178.504 175.900 0.345 0.000 1.146 436 Y CA 1.341 59.632 58.100 0.318 0.000 1.182 436 Y CB -0.724 38.065 38.460 0.548 0.000 0.983 436 Y HN 0.317 nan 8.280 nan 0.000 0.524 437 H N 0.066 119.241 119.070 0.175 0.000 2.387 437 H HA -0.182 4.371 4.556 -0.005 0.000 0.299 437 H C 1.933 177.311 175.328 0.083 0.000 1.090 437 H CA 1.730 57.720 56.048 -0.098 0.000 1.332 437 H CB 0.102 29.588 29.762 -0.460 0.000 1.386 437 H HN 0.413 nan 8.280 nan 0.000 0.516 438 Q N 0.258 120.064 119.800 0.011 0.000 2.084 438 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 438 Q C 2.745 178.701 176.000 -0.074 0.000 0.978 438 Q CA 1.302 57.081 55.803 -0.039 0.000 0.844 438 Q CB 0.170 28.981 28.738 0.122 0.000 0.898 438 Q HN 0.481 nan 8.270 nan 0.000 0.426 439 L N -1.125 120.061 121.223 -0.063 0.000 2.027 439 L HA -0.127 4.213 4.340 -0.001 0.000 0.206 439 L C 0.536 177.278 176.870 -0.214 0.000 1.074 439 L CA 0.688 55.332 54.840 -0.327 0.000 0.745 439 L CB 0.046 41.616 42.059 -0.815 0.000 0.898 439 L HN 0.331 nan 8.230 nan 0.000 0.433 440 W N -0.423 121.019 121.300 0.237 0.000 2.291 440 W HA 0.298 4.960 4.660 0.003 0.000 0.288 440 W C -1.935 174.727 176.519 0.238 0.000 0.976 440 W CA -1.951 55.534 57.345 0.232 0.000 1.744 440 W CB -0.268 29.363 29.460 0.286 0.000 1.815 440 W HN -0.012 nan 8.180 nan 0.000 0.396 441 P HA -0.160 nan 4.420 nan 0.000 0.217 441 P C 0.984 178.440 177.300 0.260 0.000 1.150 441 P CA 1.591 64.695 63.100 0.008 0.000 0.832 441 P CB 0.436 32.021 31.700 -0.191 0.000 0.787 442 N N 0.310 119.143 118.700 0.223 0.000 2.521 442 N HA -0.067 4.673 4.740 -0.001 0.000 0.188 442 N C 1.504 177.094 175.510 0.134 0.000 1.146 442 N CA 0.551 53.696 53.050 0.159 0.000 0.893 442 N CB -0.444 38.129 38.487 0.143 0.000 0.975 442 N HN 0.456 nan 8.380 nan 0.000 0.451 443 K N -0.247 120.285 120.400 0.220 0.000 2.393 443 K HA 0.080 4.399 4.320 -0.001 0.000 0.193 443 K C -0.484 176.003 176.600 -0.188 0.000 1.026 443 K CA 0.028 56.353 56.287 0.064 0.000 1.064 443 K CB 0.127 32.620 32.500 -0.012 0.000 0.833 443 K HN -0.166 nan 8.250 nan 0.000 0.521 444 F N 1.876 121.737 119.950 -0.148 0.000 2.421 444 F HA 0.415 4.946 4.527 0.007 0.000 0.337 444 F C 0.463 175.953 175.800 -0.516 0.000 1.105 444 F CA -0.555 57.359 58.000 -0.143 0.000 1.049 444 F CB 1.106 40.150 39.000 0.072 0.000 1.139 444 F HN 0.010 nan 8.300 nan 0.000 0.479 445 H N 0.789 119.939 119.070 0.132 0.000 2.977 445 H HA 0.267 4.824 4.556 0.001 0.000 0.350 445 H C -1.245 174.071 175.328 -0.021 0.000 1.238 445 H CA -1.060 55.002 56.048 0.023 0.000 1.124 445 H CB 2.388 32.106 29.762 -0.073 0.000 1.866 445 H HN 0.499 nan 8.280 nan 0.000 0.550 446 N N 0.825 119.570 118.700 0.075 0.000 2.361 446 N HA 0.367 5.106 4.740 -0.001 0.000 0.302 446 N C -1.506 173.935 175.510 -0.115 0.000 1.074 446 N CA -0.388 52.656 53.050 -0.009 0.000 0.850 446 N CB 1.801 40.285 38.487 -0.006 0.000 1.228 446 N HN 0.175 nan 8.380 nan 0.000 0.491 447 V N 2.381 122.185 119.914 -0.183 0.000 2.488 447 V HA 0.181 4.301 4.120 -0.001 0.000 0.293 447 V C -0.062 175.986 176.094 -0.075 0.000 1.027 447 V CA -0.745 61.385 62.300 -0.284 0.000 0.862 447 V CB 1.405 32.739 31.823 -0.815 0.000 1.008 447 V HN 0.662 nan 8.190 nan 0.000 0.428 448 T N 4.762 119.313 114.554 -0.005 0.000 2.902 448 T HA 0.120 4.470 4.350 -0.001 0.000 0.301 448 T C 0.620 175.437 174.700 0.195 0.000 1.012 448 T CA 0.083 62.244 62.100 0.102 0.000 1.151 448 T CB 0.087 69.020 68.868 0.109 0.000 0.946 448 T HN 0.623 nan 8.240 nan 0.000 0.542 449 N N 1.141 119.985 118.700 0.240 0.000 2.267 449 N HA 0.430 5.169 4.740 -0.001 0.000 0.226 449 N C 0.565 176.272 175.510 0.327 0.000 1.314 449 N CA 0.321 53.555 53.050 0.307 0.000 0.887 449 N CB 0.362 38.962 38.487 0.188 0.000 1.120 449 N HN 0.880 nan 8.380 nan 0.000 0.440 450 G N -1.451 107.556 108.800 0.346 0.000 2.663 450 G HA2 0.622 4.581 3.960 -0.001 0.000 0.299 450 G HA3 0.622 4.581 3.960 -0.001 0.000 0.299 450 G C -1.454 173.585 174.900 0.232 0.000 1.372 450 G CA -0.618 44.670 45.100 0.313 0.000 0.781 450 G HN 0.593 nan 8.290 nan 0.000 0.491 451 I N -2.665 118.036 120.570 0.219 0.000 2.865 451 I HA 0.780 4.950 4.170 -0.001 0.000 0.302 451 I C -0.220 176.070 176.117 0.288 0.000 1.140 451 I CA -0.925 60.493 61.300 0.198 0.000 1.021 451 I CB 2.255 40.270 38.000 0.025 0.000 1.233 451 I HN 0.536 nan 8.210 nan 0.000 0.427 452 T N 3.665 118.452 114.554 0.388 0.000 2.794 452 T HA 0.469 4.819 4.350 -0.001 0.000 0.296 452 T C -1.802 173.064 174.700 0.277 0.000 0.949 452 T CA -1.542 60.721 62.100 0.272 0.000 1.101 452 T CB 0.910 69.879 68.868 0.170 0.000 0.905 452 T HN 0.606 nan 8.240 nan 0.000 0.516 453 P HA 0.046 nan 4.420 nan 0.000 0.225 453 P C 1.141 178.488 177.300 0.078 0.000 1.148 453 P CA 0.452 63.666 63.100 0.191 0.000 0.779 453 P CB 0.272 32.080 31.700 0.180 0.000 0.780 454 R N -0.376 120.091 120.500 -0.056 0.000 2.065 454 R HA 0.045 4.384 4.340 -0.001 0.000 0.224 454 R C 2.477 178.699 176.300 -0.129 0.000 1.161 454 R CA 1.337 57.351 56.100 -0.143 0.000 0.923 454 R CB -1.214 28.991 30.300 -0.159 0.000 0.822 454 R HN -0.009 nan 8.270 nan 0.000 0.437 455 R N -0.742 119.619 120.500 -0.231 0.000 2.091 455 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 455 R C 1.279 177.312 176.300 -0.446 0.000 1.136 455 R CA 1.951 57.767 56.100 -0.473 0.000 0.959 455 R CB -0.194 29.599 30.300 -0.845 0.000 0.856 455 R HN 0.325 nan 8.270 nan 0.000 0.437 456 W N -1.028 120.286 121.300 0.025 0.000 3.278 456 W HA 0.278 4.938 4.660 0.000 0.000 0.308 456 W C 1.172 177.719 176.519 0.048 0.000 1.253 456 W CA -0.532 56.832 57.345 0.031 0.000 1.759 456 W CB 0.482 29.964 29.460 0.036 0.000 1.093 456 W HN 0.095 nan 8.180 nan 0.000 0.648 457 I N -1.428 119.281 120.570 0.231 0.000 3.669 457 I HA -0.014 4.155 4.170 -0.001 0.000 0.255 457 I C 2.213 178.435 176.117 0.175 0.000 1.144 457 I CA -0.003 61.419 61.300 0.202 0.000 1.447 457 I CB -0.246 37.911 38.000 0.261 0.000 1.622 457 I HN -0.384 nan 8.210 nan 0.000 0.435 458 K N 1.084 121.615 120.400 0.218 0.000 2.063 458 K HA -0.251 4.069 4.320 -0.001 0.000 0.208 458 K C 2.112 178.716 176.600 0.007 0.000 1.048 458 K CA 1.934 58.313 56.287 0.153 0.000 0.928 458 K CB 0.082 32.593 32.500 0.019 0.000 0.713 458 K HN 0.258 nan 8.250 nan 0.000 0.442 459 Q N -0.124 119.643 119.800 -0.055 0.000 2.036 459 Q HA -0.124 4.216 4.340 -0.001 0.000 0.195 459 Q C 2.429 178.366 176.000 -0.104 0.000 0.971 459 Q CA 1.580 57.311 55.803 -0.119 0.000 0.826 459 Q CB 0.038 28.678 28.738 -0.163 0.000 0.896 459 Q HN 0.611 nan 8.270 nan 0.000 0.449 460 C N -0.023 119.224 119.300 -0.088 0.000 2.468 460 C HA 0.215 4.675 4.460 -0.001 0.000 0.277 460 C C 1.119 176.098 174.990 -0.018 0.000 1.400 460 C CA -0.142 58.843 59.018 -0.054 0.000 1.770 460 C CB -0.647 27.078 27.740 -0.025 0.000 1.905 460 C HN 0.330 nan 8.230 nan 0.000 0.519 461 N N 1.439 120.137 118.700 -0.003 0.000 2.886 461 N HA 0.312 5.051 4.740 -0.001 0.000 0.285 461 N C -1.690 173.805 175.510 -0.024 0.000 1.706 461 N CA -1.793 51.246 53.050 -0.018 0.000 0.904 461 N CB 0.751 39.228 38.487 -0.017 0.000 1.224 461 N HN 0.336 nan 8.380 nan 0.000 0.488 462 P HA -0.058 nan 4.420 nan 0.000 0.219 462 P C 1.062 178.343 177.300 -0.032 0.000 1.150 462 P CA 0.714 63.795 63.100 -0.032 0.000 0.814 462 P CB 0.429 32.085 31.700 -0.074 0.000 0.787 463 A N 0.182 122.968 122.820 -0.056 0.000 1.902 463 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 463 A C 2.221 179.741 177.584 -0.107 0.000 1.181 463 A CA 1.476 53.468 52.037 -0.075 0.000 0.623 463 A CB -1.655 17.293 19.000 -0.087 0.000 0.818 463 A HN 0.172 nan 8.150 nan 0.000 0.443 464 L N -0.122 121.021 121.223 -0.133 0.000 2.046 464 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 464 L C 2.664 179.447 176.870 -0.144 0.000 1.077 464 L CA 2.224 56.955 54.840 -0.183 0.000 0.747 464 L CB -0.852 41.080 42.059 -0.211 0.000 0.896 464 L HN 0.349 nan 8.230 nan 0.000 0.432 465 A N -0.491 122.304 122.820 -0.042 0.000 1.908 465 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 465 A C 2.466 180.144 177.584 0.156 0.000 1.181 465 A CA 1.956 54.065 52.037 0.119 0.000 0.627 465 A CB -1.222 17.968 19.000 0.318 0.000 0.818 465 A HN 0.586 nan 8.150 nan 0.000 0.445 466 A N -0.546 122.317 122.820 0.072 0.000 1.902 466 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 466 A C 2.140 179.733 177.584 0.015 0.000 1.181 466 A CA 1.778 53.850 52.037 0.058 0.000 0.623 466 A CB -0.635 18.372 19.000 0.012 0.000 0.818 466 A HN 0.730 nan 8.150 nan 0.000 0.443 467 L N -0.164 121.024 121.223 -0.059 0.000 2.046 467 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 467 L C 2.265 179.079 176.870 -0.093 0.000 1.077 467 L CA 1.639 56.419 54.840 -0.100 0.000 0.747 467 L CB -0.437 41.511 42.059 -0.185 0.000 0.896 467 L HN 0.416 nan 8.230 nan 0.000 0.432 468 L N -0.874 120.252 121.223 -0.162 0.000 2.046 468 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 468 L C 2.289 179.121 176.870 -0.063 0.000 1.077 468 L CA 1.292 55.947 54.840 -0.308 0.000 0.747 468 L CB -0.951 40.525 42.059 -0.971 0.000 0.896 468 L HN 0.274 nan 8.230 nan 0.000 0.432 469 D N 0.309 120.822 120.400 0.188 0.000 2.123 469 D HA -0.229 4.410 4.640 -0.001 0.000 0.196 469 D C 2.103 178.488 176.300 0.143 0.000 0.992 469 D CA 1.375 55.553 54.000 0.296 0.000 0.833 469 D CB -0.068 40.892 40.800 0.266 0.000 0.954 469 D HN 0.280 nan 8.370 nan 0.000 0.455 470 K N 0.517 120.960 120.400 0.072 0.000 2.097 470 K HA -0.043 4.276 4.320 -0.001 0.000 0.205 470 K C 1.896 178.509 176.600 0.022 0.000 1.050 470 K CA 1.152 57.465 56.287 0.044 0.000 0.938 470 K CB 0.155 32.667 32.500 0.020 0.000 0.718 470 K HN -0.081 nan 8.250 nan 0.000 0.442 471 S N 0.550 116.216 115.700 -0.056 0.000 2.470 471 S HA 0.124 4.593 4.470 -0.001 0.000 0.225 471 S C 0.551 175.133 174.600 -0.030 0.000 1.006 471 S CA 0.241 58.319 58.200 -0.205 0.000 0.934 471 S CB 0.041 62.894 63.200 -0.578 0.000 0.778 471 S HN 0.162 nan 8.310 nan 0.000 0.517 472 L N 1.358 122.606 121.223 0.042 0.000 2.334 472 L HA 0.402 4.741 4.340 -0.001 0.000 0.276 472 L C 1.371 178.322 176.870 0.136 0.000 1.014 472 L CA -0.535 54.373 54.840 0.113 0.000 0.815 472 L CB 1.320 43.456 42.059 0.128 0.000 1.268 472 L HN -0.012 nan 8.230 nan 0.000 0.428 473 Q N 1.929 121.804 119.800 0.126 0.000 2.084 473 Q HA -0.038 4.301 4.340 -0.001 0.000 0.202 473 Q C -0.074 175.991 176.000 0.107 0.000 0.978 473 Q CA 1.373 57.240 55.803 0.105 0.000 0.844 473 Q CB 0.412 29.201 28.738 0.086 0.000 0.898 473 Q HN 0.541 nan 8.270 nan 0.000 0.426 474 K N 0.874 121.349 120.400 0.124 0.000 2.221 474 K HA 0.200 4.519 4.320 -0.001 0.000 0.243 474 K C -0.852 175.835 176.600 0.145 0.000 0.968 474 K CA -0.745 55.608 56.287 0.110 0.000 0.846 474 K CB 1.487 34.041 32.500 0.089 0.000 1.141 474 K HN -0.063 nan 8.250 nan 0.000 0.434 475 E N 2.080 122.326 120.200 0.076 0.000 2.465 475 E HA -0.125 4.225 4.350 -0.001 0.000 0.260 475 E C 0.038 176.651 176.600 0.022 0.000 0.980 475 E CA 0.398 56.791 56.400 -0.012 0.000 0.927 475 E CB 0.296 29.973 29.700 -0.039 0.000 0.934 475 E HN 0.649 nan 8.360 nan 0.000 0.459 476 W N 3.691 125.001 121.300 0.018 0.000 2.940 476 W HA 0.367 5.026 4.660 -0.001 0.000 0.297 476 W C 0.929 177.418 176.519 -0.051 0.000 1.149 476 W CA 0.328 57.670 57.345 -0.004 0.000 1.564 476 W CB -0.599 28.864 29.460 0.005 0.000 1.010 476 W HN 0.584 nan 8.180 nan 0.000 0.578 477 A N 2.907 125.140 122.820 -0.978 0.000 2.019 477 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 477 A C 1.484 178.704 177.584 -0.607 0.000 1.164 477 A CA 1.914 53.300 52.037 -1.085 0.000 0.644 477 A CB -0.960 17.125 19.000 -1.526 0.000 0.805 477 A HN 0.417 nan 8.150 nan 0.000 0.449 478 N N -1.696 116.771 118.700 -0.388 0.000 2.291 478 N HA 0.170 4.909 4.740 -0.001 0.000 0.244 478 N C -0.854 174.629 175.510 -0.046 0.000 1.216 478 N CA 0.207 53.151 53.050 -0.176 0.000 0.879 478 N CB 0.434 38.873 38.487 -0.081 0.000 1.167 478 N HN 0.122 nan 8.380 nan 0.000 0.515 479 D N 0.221 120.619 120.400 -0.004 0.000 3.285 479 D HA 0.084 4.724 4.640 -0.001 0.000 0.273 479 D C 0.282 176.648 176.300 0.109 0.000 1.295 479 D CA -0.395 53.634 54.000 0.048 0.000 0.762 479 D CB 0.054 40.882 40.800 0.046 0.000 1.379 479 D HN -0.016 nan 8.370 nan 0.000 0.612 480 L N 0.827 122.118 121.223 0.114 0.000 2.265 480 L HA 0.002 4.341 4.340 -0.001 0.000 0.215 480 L C 1.348 178.288 176.870 0.116 0.000 1.117 480 L CA 1.560 56.499 54.840 0.165 0.000 0.782 480 L CB -0.087 42.061 42.059 0.149 0.000 0.914 480 L HN 0.176 nan 8.230 nan 0.000 0.441 481 D N -0.808 119.635 120.400 0.072 0.000 2.311 481 D HA -0.173 4.466 4.640 -0.001 0.000 0.212 481 D C 1.926 178.261 176.300 0.059 0.000 0.972 481 D CA 0.569 54.595 54.000 0.043 0.000 0.887 481 D CB 0.079 40.892 40.800 0.021 0.000 0.915 481 D HN 0.440 nan 8.370 nan 0.000 0.497 482 Q N -0.108 119.751 119.800 0.098 0.000 2.291 482 Q HA -0.078 4.262 4.340 -0.001 0.000 0.206 482 Q C 2.047 178.097 176.000 0.084 0.000 0.976 482 Q CA 0.264 56.131 55.803 0.107 0.000 0.875 482 Q CB -0.136 28.705 28.738 0.171 0.000 0.927 482 Q HN 0.303 nan 8.270 nan 0.000 0.450 483 L N 0.232 121.495 121.223 0.068 0.000 2.265 483 L HA -0.141 4.198 4.340 -0.001 0.000 0.215 483 L C 2.104 178.983 176.870 0.014 0.000 1.117 483 L CA 0.848 55.697 54.840 0.014 0.000 0.782 483 L CB -0.702 41.358 42.059 0.002 0.000 0.914 483 L HN 0.171 nan 8.230 nan 0.000 0.441 484 I N -0.252 120.330 120.570 0.020 0.000 2.454 484 I HA -0.267 3.902 4.170 -0.001 0.000 0.254 484 I C 2.016 178.140 176.117 0.011 0.000 1.156 484 I CA 1.158 62.462 61.300 0.007 0.000 1.433 484 I CB -0.365 37.635 38.000 -0.000 0.000 1.082 484 I HN 0.340 nan 8.210 nan 0.000 0.432 485 N N 0.360 119.080 118.700 0.034 0.000 2.588 485 N HA -0.124 4.615 4.740 -0.001 0.000 0.190 485 N C 1.659 177.238 175.510 0.115 0.000 1.094 485 N CA 0.879 53.963 53.050 0.058 0.000 0.921 485 N CB -0.153 38.385 38.487 0.086 0.000 0.959 485 N HN 0.453 nan 8.380 nan 0.000 0.448 486 L N 0.701 121.974 121.223 0.083 0.000 2.509 486 L HA 0.014 4.353 4.340 -0.001 0.000 0.222 486 L C 1.782 178.663 176.870 0.019 0.000 1.123 486 L CA 0.372 55.276 54.840 0.107 0.000 0.856 486 L CB -0.044 42.005 42.059 -0.017 0.000 0.985 486 L HN 0.117 nan 8.230 nan 0.000 0.456 487 E N 0.851 121.033 120.200 -0.030 0.000 2.085 487 E HA -0.280 4.069 4.350 -0.001 0.000 0.194 487 E C 2.026 178.548 176.600 -0.130 0.000 0.994 487 E CA 1.543 57.895 56.400 -0.080 0.000 0.801 487 E CB -0.042 29.615 29.700 -0.071 0.000 0.743 487 E HN 0.518 nan 8.360 nan 0.000 0.453 488 K N 0.604 120.896 120.400 -0.179 0.000 2.147 488 K HA -0.145 4.174 4.320 -0.001 0.000 0.205 488 K C 1.706 178.080 176.600 -0.377 0.000 1.049 488 K CA 1.371 57.483 56.287 -0.291 0.000 0.936 488 K CB -0.346 31.924 32.500 -0.383 0.000 0.722 488 K HN 0.046 nan 8.250 nan 0.000 0.446 489 F N 1.872 121.586 119.950 -0.394 0.000 2.451 489 F HA 0.042 4.568 4.527 -0.001 0.000 0.299 489 F C 2.524 178.017 175.800 -0.512 0.000 1.101 489 F CA 0.807 58.427 58.000 -0.634 0.000 1.436 489 F CB -0.238 37.937 39.000 -1.375 0.000 1.074 489 F HN 0.155 nan 8.300 nan 0.000 0.553 490 A N -0.537 122.165 122.820 -0.196 0.000 2.121 490 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 490 A C 1.800 179.353 177.584 -0.051 0.000 1.154 490 A CA 1.578 53.558 52.037 -0.095 0.000 0.679 490 A CB -0.504 18.429 19.000 -0.111 0.000 0.795 490 A HN 0.215 nan 8.150 nan 0.000 0.458 491 D N 0.011 120.361 120.400 -0.083 0.000 2.347 491 D HA -0.027 4.612 4.640 -0.001 0.000 0.213 491 D C 0.089 176.375 176.300 -0.023 0.000 0.985 491 D CA 0.383 54.346 54.000 -0.060 0.000 0.879 491 D CB 0.046 40.790 40.800 -0.094 0.000 0.919 491 D HN 0.472 nan 8.370 nan 0.000 0.526 492 D N 0.390 120.797 120.400 0.011 0.000 2.313 492 D HA 0.239 4.878 4.640 -0.001 0.000 0.239 492 D C 0.974 177.364 176.300 0.150 0.000 1.142 492 D CA -0.343 53.706 54.000 0.082 0.000 0.847 492 D CB 1.791 42.670 40.800 0.131 0.000 1.082 492 D HN -0.103 nan 8.370 nan 0.000 0.480 493 A N 5.528 128.408 122.820 0.100 0.000 1.908 493 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 493 A C 2.059 179.709 177.584 0.109 0.000 1.181 493 A CA 1.297 53.389 52.037 0.091 0.000 0.627 493 A CB -0.355 18.678 19.000 0.054 0.000 0.818 493 A HN 0.687 nan 8.150 nan 0.000 0.445 494 K N -1.144 119.330 120.400 0.122 0.000 2.057 494 K HA -0.168 4.151 4.320 -0.001 0.000 0.206 494 K C 1.882 178.566 176.600 0.139 0.000 1.050 494 K CA 1.760 58.112 56.287 0.109 0.000 0.935 494 K CB -0.506 32.053 32.500 0.098 0.000 0.715 494 K HN 0.385 nan 8.250 nan 0.000 0.439 495 F N 2.402 122.400 119.950 0.081 0.000 2.075 495 F HA -0.092 4.434 4.527 -0.001 0.000 0.297 495 F C 2.420 178.269 175.800 0.082 0.000 1.113 495 F CA 1.501 59.552 58.000 0.085 0.000 1.218 495 F CB -0.177 38.914 39.000 0.152 0.000 0.984 495 F HN -0.047 nan 8.300 nan 0.000 0.472 496 R N -0.021 120.677 120.500 0.331 0.000 2.103 496 R HA -0.253 4.086 4.340 -0.001 0.000 0.242 496 R C 2.386 178.732 176.300 0.078 0.000 1.142 496 R CA 1.891 58.102 56.100 0.186 0.000 0.960 496 R CB -0.785 29.603 30.300 0.147 0.000 0.858 496 R HN 0.506 nan 8.270 nan 0.000 0.439 497 Q N 0.897 120.726 119.800 0.048 0.000 2.050 497 Q HA -0.213 4.126 4.340 -0.001 0.000 0.202 497 Q C 2.007 177.986 176.000 -0.035 0.000 0.980 497 Q CA 1.573 57.383 55.803 0.011 0.000 0.840 497 Q CB 0.101 28.847 28.738 0.013 0.000 0.898 497 Q HN 0.467 nan 8.270 nan 0.000 0.424 498 Q N -0.792 118.953 119.800 -0.092 0.000 2.050 498 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 498 Q C 1.910 177.793 176.000 -0.195 0.000 0.980 498 Q CA 1.782 57.486 55.803 -0.166 0.000 0.840 498 Q CB -0.302 28.290 28.738 -0.244 0.000 0.898 498 Q HN 0.430 nan 8.270 nan 0.000 0.424 499 Y N 1.333 121.385 120.300 -0.412 0.000 2.128 499 Y HA -0.287 4.262 4.550 -0.001 0.000 0.284 499 Y C 2.516 178.329 175.900 -0.145 0.000 1.154 499 Y CA 1.951 59.855 58.100 -0.327 0.000 1.149 499 Y CB -0.063 38.198 38.460 -0.332 0.000 0.976 499 Y HN -0.056 nan 8.280 nan 0.000 0.505 500 R N 0.336 120.912 120.500 0.127 0.000 2.081 500 R HA -0.203 4.137 4.340 -0.001 0.000 0.235 500 R C 2.135 178.412 176.300 -0.039 0.000 1.131 500 R CA 2.022 58.164 56.100 0.069 0.000 0.960 500 R CB -0.337 30.002 30.300 0.064 0.000 0.856 500 R HN 0.443 nan 8.270 nan 0.000 0.436 501 E N 0.131 120.295 120.200 -0.060 0.000 2.160 501 E HA -0.184 4.165 4.350 -0.001 0.000 0.195 501 E C 1.925 178.463 176.600 -0.104 0.000 0.991 501 E CA 1.424 57.778 56.400 -0.076 0.000 0.810 501 E CB -0.029 29.630 29.700 -0.070 0.000 0.742 501 E HN 0.419 nan 8.360 nan 0.000 0.466 502 I N 0.559 121.038 120.570 -0.151 0.000 2.202 502 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 502 I C 2.355 178.368 176.117 -0.172 0.000 1.091 502 I CA 0.862 62.053 61.300 -0.182 0.000 1.368 502 I CB -0.115 37.723 38.000 -0.269 0.000 1.058 502 I HN -0.015 nan 8.210 nan 0.000 0.410 503 K N 0.791 121.074 120.400 -0.195 0.000 2.044 503 K HA -0.237 4.083 4.320 -0.001 0.000 0.210 503 K C 2.142 178.670 176.600 -0.120 0.000 1.049 503 K CA 1.713 57.917 56.287 -0.138 0.000 0.927 503 K CB -0.250 32.206 32.500 -0.074 0.000 0.713 503 K HN 0.188 nan 8.250 nan 0.000 0.443 504 Q N -0.477 119.255 119.800 -0.112 0.000 2.119 504 Q HA 0.008 4.348 4.340 -0.001 0.000 0.201 504 Q C 2.100 178.039 176.000 -0.101 0.000 0.972 504 Q CA 1.534 57.264 55.803 -0.123 0.000 0.847 504 Q CB -0.350 28.330 28.738 -0.097 0.000 0.903 504 Q HN 0.442 nan 8.270 nan 0.000 0.433 505 A N 1.473 124.244 122.820 -0.080 0.000 1.969 505 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 505 A C 1.792 179.352 177.584 -0.041 0.000 1.169 505 A CA 1.297 53.301 52.037 -0.054 0.000 0.635 505 A CB -0.344 18.624 19.000 -0.054 0.000 0.810 505 A HN 0.304 nan 8.150 nan 0.000 0.445 506 N N 0.254 118.920 118.700 -0.056 0.000 2.188 506 N HA -0.113 4.626 4.740 -0.001 0.000 0.184 506 N C 1.523 177.035 175.510 0.004 0.000 1.018 506 N CA 1.405 54.438 53.050 -0.028 0.000 0.858 506 N CB -0.297 38.166 38.487 -0.040 0.000 0.989 506 N HN 0.576 nan 8.380 nan 0.000 0.426 507 K N 0.359 120.723 120.400 -0.061 0.000 2.097 507 K HA 0.030 4.349 4.320 -0.001 0.000 0.205 507 K C 1.951 178.597 176.600 0.078 0.000 1.050 507 K CA 0.504 56.744 56.287 -0.078 0.000 0.938 507 K CB 0.015 32.202 32.500 -0.521 0.000 0.718 507 K HN -0.057 nan 8.250 nan 0.000 0.442 508 V N 1.597 121.526 119.914 0.025 0.000 2.358 508 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 508 V C 2.222 178.372 176.094 0.093 0.000 1.047 508 V CA 1.591 63.927 62.300 0.060 0.000 1.035 508 V CB -0.395 31.442 31.823 0.022 0.000 0.658 508 V HN 0.280 nan 8.190 nan 0.000 0.452 509 R N -0.529 120.017 120.500 0.076 0.000 2.073 509 R HA -0.151 4.189 4.340 -0.001 0.000 0.234 509 R C 2.249 178.635 176.300 0.144 0.000 1.134 509 R CA 1.538 57.692 56.100 0.090 0.000 0.952 509 R CB -0.693 29.637 30.300 0.051 0.000 0.850 509 R HN 0.371 nan 8.270 nan 0.000 0.433 510 L N 1.208 122.532 121.223 0.169 0.000 2.042 510 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 510 L C 2.314 179.340 176.870 0.261 0.000 1.076 510 L CA 1.975 56.958 54.840 0.237 0.000 0.749 510 L CB -0.743 41.484 42.059 0.280 0.000 0.893 510 L HN 0.150 nan 8.230 nan 0.000 0.432 511 A N -0.742 122.227 122.820 0.248 0.000 1.917 511 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 511 A C 2.151 179.820 177.584 0.141 0.000 1.182 511 A CA 2.081 54.230 52.037 0.186 0.000 0.633 511 A CB -0.670 18.447 19.000 0.196 0.000 0.819 511 A HN 0.658 nan 8.150 nan 0.000 0.448 512 E N -1.548 118.741 120.200 0.149 0.000 2.047 512 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 512 E C 1.781 178.475 176.600 0.156 0.000 0.987 512 E CA 1.201 57.677 56.400 0.127 0.000 0.799 512 E CB -0.305 29.469 29.700 0.122 0.000 0.752 512 E HN 0.672 nan 8.360 nan 0.000 0.449 513 F N 1.309 121.293 119.950 0.057 0.000 2.126 513 F HA -0.242 4.285 4.527 -0.001 0.000 0.299 513 F C 2.076 177.908 175.800 0.054 0.000 1.096 513 F CA 1.123 59.156 58.000 0.056 0.000 1.255 513 F CB -0.239 38.800 39.000 0.065 0.000 0.997 513 F HN -0.187 nan 8.300 nan 0.000 0.479 514 V N 0.648 120.608 119.914 0.078 0.000 2.323 514 V HA -0.286 3.833 4.120 -0.001 0.000 0.244 514 V C 2.479 178.539 176.094 -0.057 0.000 1.041 514 V CA 2.207 64.494 62.300 -0.022 0.000 1.025 514 V CB -0.651 31.194 31.823 0.037 0.000 0.656 514 V HN 0.361 nan 8.190 nan 0.000 0.451 515 K N 0.439 120.832 120.400 -0.011 0.000 2.063 515 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 515 K C 2.115 178.691 176.600 -0.039 0.000 1.048 515 K CA 2.055 58.335 56.287 -0.012 0.000 0.928 515 K CB -0.291 32.218 32.500 0.015 0.000 0.713 515 K HN 0.423 nan 8.250 nan 0.000 0.442 516 V N -0.007 119.869 119.914 -0.064 0.000 2.453 516 V HA -0.105 4.014 4.120 -0.001 0.000 0.247 516 V C 1.990 178.005 176.094 -0.131 0.000 1.048 516 V CA 1.190 63.443 62.300 -0.079 0.000 1.049 516 V CB -0.441 31.349 31.823 -0.056 0.000 0.672 516 V HN 0.276 nan 8.190 nan 0.000 0.457 517 R N 1.174 121.532 120.500 -0.237 0.000 2.153 517 R HA 0.037 4.376 4.340 -0.001 0.000 0.218 517 R C 2.223 178.463 176.300 -0.099 0.000 1.072 517 R CA 1.721 57.682 56.100 -0.231 0.000 0.990 517 R CB -0.670 29.386 30.300 -0.406 0.000 0.889 517 R HN 0.822 nan 8.270 nan 0.000 0.452 518 T N -5.624 108.891 114.554 -0.064 0.000 2.969 518 T HA 0.242 4.592 4.350 -0.001 0.000 0.258 518 T C 1.350 176.051 174.700 0.002 0.000 0.962 518 T CA 0.709 62.806 62.100 -0.004 0.000 0.903 518 T CB 0.953 69.836 68.868 0.026 0.000 1.177 518 T HN 0.284 nan 8.240 nan 0.000 0.511 519 G N 1.933 110.727 108.800 -0.010 0.000 2.267 519 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.257 519 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.257 519 G C 0.069 174.971 174.900 0.003 0.000 0.998 519 G CA 0.177 45.276 45.100 -0.001 0.000 0.620 519 G HN 0.703 nan 8.290 nan 0.000 0.529 520 I N 1.313 121.885 120.570 0.003 0.000 2.588 520 I HA 0.302 4.472 4.170 -0.001 0.000 0.283 520 I C 0.661 176.778 176.117 0.001 0.000 1.119 520 I CA 0.048 61.349 61.300 0.001 0.000 1.419 520 I CB 1.179 39.179 38.000 0.001 0.000 1.394 520 I HN 0.182 nan 8.210 nan 0.000 0.562 521 E N 7.495 127.697 120.200 0.004 0.000 2.073 521 E HA 0.396 4.746 4.350 -0.001 0.000 0.269 521 E C -0.850 175.756 176.600 0.010 0.000 0.917 521 E CA -0.611 55.797 56.400 0.013 0.000 0.757 521 E CB 0.858 30.568 29.700 0.016 0.000 1.111 521 E HN 0.517 nan 8.360 nan 0.000 0.410 522 I N 1.357 121.935 120.570 0.013 0.000 2.525 522 I HA 0.507 4.676 4.170 -0.001 0.000 0.301 522 I C -0.344 175.831 176.117 0.096 0.000 0.992 522 I CA -1.120 60.184 61.300 0.007 0.000 1.162 522 I CB 1.593 39.525 38.000 -0.113 0.000 1.332 522 I HN 0.241 nan 8.210 nan 0.000 0.458 523 N N 6.375 125.145 118.700 0.117 0.000 2.406 523 N HA 0.368 5.108 4.740 -0.001 0.000 0.251 523 N C -1.950 173.700 175.510 0.234 0.000 1.069 523 N CA -2.482 50.650 53.050 0.136 0.000 0.947 523 N CB 1.046 39.580 38.487 0.078 0.000 1.111 523 N HN 0.406 nan 8.380 nan 0.000 0.497 524 P HA -0.032 nan 4.420 nan 0.000 0.234 524 P C 0.624 177.856 177.300 -0.114 0.000 1.167 524 P CA 0.765 63.873 63.100 0.015 0.000 0.763 524 P CB 0.439 32.136 31.700 -0.005 0.000 0.835 525 Q N -0.467 119.321 119.800 -0.020 0.000 2.331 525 Q HA 0.164 4.504 4.340 -0.001 0.000 0.203 525 Q C 0.893 176.873 176.000 -0.032 0.000 0.944 525 Q CA 0.178 55.965 55.803 -0.028 0.000 0.892 525 Q CB -0.539 28.198 28.738 -0.003 0.000 0.983 525 Q HN 0.139 nan 8.270 nan 0.000 0.482 526 A N 0.201 123.020 122.820 -0.001 0.000 2.406 526 A HA 0.223 4.543 4.320 -0.001 0.000 0.243 526 A C -0.294 177.188 177.584 -0.169 0.000 1.082 526 A CA -0.400 51.611 52.037 -0.043 0.000 0.786 526 A CB 0.048 19.081 19.000 0.055 0.000 1.029 526 A HN 0.357 nan 8.150 nan 0.000 0.495 527 I N 1.800 122.124 120.570 -0.409 0.000 2.581 527 I HA -0.018 4.151 4.170 -0.001 0.000 0.285 527 I C -0.668 175.380 176.117 -0.116 0.000 1.129 527 I CA 0.239 61.212 61.300 -0.545 0.000 1.397 527 I CB -0.180 37.372 38.000 -0.746 0.000 1.399 527 I HN 0.337 nan 8.210 nan 0.000 0.537 528 F N 5.181 124.943 119.950 -0.314 0.000 2.404 528 F HA 0.166 4.692 4.527 -0.001 0.000 0.359 528 F C 0.699 176.333 175.800 -0.277 0.000 1.134 528 F CA -0.849 57.001 58.000 -0.250 0.000 1.160 528 F CB -0.131 38.791 39.000 -0.130 0.000 1.186 528 F HN 0.394 nan 8.300 nan 0.000 0.526 529 D N 5.410 125.641 120.400 -0.282 0.000 2.373 529 D HA 0.343 4.982 4.640 -0.001 0.000 0.227 529 D C -0.536 175.593 176.300 -0.286 0.000 1.091 529 D CA -0.102 53.675 54.000 -0.371 0.000 0.840 529 D CB 0.705 40.991 40.800 -0.858 0.000 1.060 529 D HN 0.345 nan 8.370 nan 0.000 0.502 530 I N 3.213 123.676 120.570 -0.178 0.000 2.418 530 I HA 0.211 4.380 4.170 -0.001 0.000 0.287 530 I C -0.102 175.880 176.117 -0.226 0.000 1.008 530 I CA -0.711 60.468 61.300 -0.202 0.000 1.104 530 I CB 2.148 40.087 38.000 -0.102 0.000 1.264 530 I HN 0.199 nan 8.210 nan 0.000 0.438 531 Q N 8.094 127.667 119.800 -0.380 0.000 2.381 531 Q HA 0.586 4.926 4.340 -0.001 0.000 0.263 531 Q C -1.287 174.512 176.000 -0.335 0.000 1.030 531 Q CA -0.571 55.033 55.803 -0.331 0.000 0.772 531 Q CB 1.394 29.906 28.738 -0.377 0.000 1.232 531 Q HN 0.702 nan 8.270 nan 0.000 0.476 532 I N 2.012 122.402 120.570 -0.300 0.000 2.439 532 I HA 0.687 4.857 4.170 -0.001 0.000 0.285 532 I C -1.212 174.684 176.117 -0.369 0.000 1.021 532 I CA -0.749 60.252 61.300 -0.499 0.000 1.091 532 I CB 1.315 38.988 38.000 -0.545 0.000 1.242 532 I HN 0.541 nan 8.210 nan 0.000 0.439 533 K N 3.470 123.653 120.400 -0.362 0.000 3.076 533 K HA 0.338 4.657 4.320 -0.001 0.000 0.314 533 K C -1.313 175.271 176.600 -0.026 0.000 1.113 533 K CA -1.179 55.050 56.287 -0.096 0.000 0.860 533 K CB 0.679 33.127 32.500 -0.086 0.000 1.435 533 K HN 0.588 nan 8.250 nan 0.000 0.374 534 R N 0.706 121.240 120.500 0.056 0.000 2.587 534 R HA -0.041 4.298 4.340 -0.001 0.000 0.268 534 R C 0.107 176.417 176.300 0.018 0.000 0.978 534 R CA -0.454 55.690 56.100 0.072 0.000 1.097 534 R CB 0.056 30.409 30.300 0.088 0.000 0.917 534 R HN 0.344 nan 8.270 nan 0.000 0.414 535 L N 4.969 126.217 121.223 0.042 0.000 2.433 535 L HA 0.081 4.421 4.340 -0.001 0.000 0.275 535 L C -0.310 176.505 176.870 -0.091 0.000 1.128 535 L CA 0.918 55.738 54.840 -0.033 0.000 0.875 535 L CB -0.210 41.837 42.059 -0.019 0.000 1.171 535 L HN 0.604 nan 8.230 nan 0.000 0.463 536 H N 3.516 122.437 119.070 -0.248 0.000 3.029 536 H HA 0.142 4.698 4.556 -0.001 0.000 0.358 536 H C 0.507 175.654 175.328 -0.301 0.000 1.129 536 H CA -0.403 55.509 56.048 -0.227 0.000 1.230 536 H CB 1.431 31.034 29.762 -0.265 0.000 1.827 536 H HN 0.688 nan 8.280 nan 0.000 0.530 537 E N 2.311 122.604 120.200 0.155 0.000 2.114 537 E HA -0.280 4.070 4.350 -0.001 0.000 0.199 537 E C 1.224 177.637 176.600 -0.311 0.000 1.008 537 E CA 2.177 58.552 56.400 -0.042 0.000 0.810 537 E CB -0.043 29.682 29.700 0.042 0.000 0.739 537 E HN 0.606 nan 8.360 nan 0.000 0.456 538 Y N 0.230 120.173 120.300 -0.594 0.000 2.421 538 Y HA -0.039 4.512 4.550 0.001 0.000 0.292 538 Y C 1.467 177.214 175.900 -0.255 0.000 1.136 538 Y CA 0.897 58.568 58.100 -0.714 0.000 1.255 538 Y CB -0.146 37.964 38.460 -0.583 0.000 0.991 538 Y HN -0.165 nan 8.280 nan 0.000 0.552 539 K N 0.400 120.514 120.400 -0.477 0.000 2.356 539 K HA 0.175 4.494 4.320 -0.001 0.000 0.195 539 K C 0.205 176.745 176.600 -0.099 0.000 1.037 539 K CA 0.302 56.401 56.287 -0.315 0.000 1.014 539 K CB 0.152 32.389 32.500 -0.438 0.000 0.815 539 K HN 0.142 nan 8.250 nan 0.000 0.507 540 R N 0.372 120.867 120.500 -0.010 0.000 3.532 540 R HA -0.214 4.125 4.340 -0.001 0.000 0.284 540 R C 0.303 176.688 176.300 0.140 0.000 1.140 540 R CA 0.200 56.367 56.100 0.112 0.000 0.768 540 R CB -2.018 28.256 30.300 -0.044 0.000 1.252 540 R HN 0.260 nan 8.270 nan 0.000 0.454 541 Q N -0.035 119.866 119.800 0.168 0.000 2.248 541 Q HA -0.198 4.141 4.340 -0.001 0.000 0.208 541 Q C 2.065 178.187 176.000 0.202 0.000 0.984 541 Q CA 2.126 58.039 55.803 0.184 0.000 0.875 541 Q CB -0.208 28.594 28.738 0.107 0.000 0.910 541 Q HN 0.697 nan 8.270 nan 0.000 0.433 542 H N -1.087 117.970 119.070 -0.022 0.000 2.462 542 H HA -0.040 4.515 4.556 -0.001 0.000 0.292 542 H C 1.888 177.229 175.328 0.021 0.000 1.049 542 H CA 0.953 56.983 56.048 -0.030 0.000 1.334 542 H CB -0.724 29.019 29.762 -0.032 0.000 1.404 542 H HN 0.266 nan 8.280 nan 0.000 0.544 543 L N 1.587 122.746 121.223 -0.107 0.000 2.027 543 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 543 L C 2.206 179.139 176.870 0.106 0.000 1.074 543 L CA 2.064 56.865 54.840 -0.066 0.000 0.745 543 L CB -1.190 40.738 42.059 -0.220 0.000 0.898 543 L HN 0.366 nan 8.230 nan 0.000 0.433 544 N N -0.963 117.792 118.700 0.092 0.000 2.037 544 N HA -0.294 4.445 4.740 -0.001 0.000 0.196 544 N C 1.978 177.600 175.510 0.187 0.000 1.034 544 N CA 1.729 54.934 53.050 0.259 0.000 0.861 544 N CB -0.268 38.364 38.487 0.242 0.000 1.039 544 N HN 0.385 nan 8.380 nan 0.000 0.427 545 L N 0.947 122.239 121.223 0.115 0.000 2.083 545 L HA -0.078 4.261 4.340 -0.001 0.000 0.209 545 L C 1.871 178.722 176.870 -0.032 0.000 1.083 545 L CA 1.398 56.217 54.840 -0.035 0.000 0.752 545 L CB -0.401 41.583 42.059 -0.126 0.000 0.899 545 L HN 0.309 nan 8.230 nan 0.000 0.433 546 L N -1.279 119.999 121.223 0.093 0.000 2.072 546 L HA -0.216 4.124 4.340 -0.001 0.000 0.205 546 L C 2.669 179.731 176.870 0.320 0.000 1.079 546 L CA 1.458 56.394 54.840 0.161 0.000 0.752 546 L CB -0.939 41.236 42.059 0.195 0.000 0.906 546 L HN 0.502 nan 8.230 nan 0.000 0.436 547 H N 0.689 119.922 119.070 0.271 0.000 2.353 547 H HA -0.179 4.377 4.556 -0.001 0.000 0.300 547 H C 2.332 177.612 175.328 -0.080 0.000 1.090 547 H CA 1.824 57.927 56.048 0.092 0.000 1.327 547 H CB 0.174 29.909 29.762 -0.045 0.000 1.383 547 H HN 0.281 nan 8.280 nan 0.000 0.508 548 I N 0.732 121.047 120.570 -0.425 0.000 2.286 548 I HA -0.299 3.870 4.170 -0.001 0.000 0.248 548 I C 2.606 178.550 176.117 -0.288 0.000 1.115 548 I CA 0.767 61.685 61.300 -0.636 0.000 1.392 548 I CB -0.156 37.422 38.000 -0.703 0.000 1.065 548 I HN 0.252 nan 8.210 nan 0.000 0.418 549 L N 0.258 121.400 121.223 -0.135 0.000 2.046 549 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 549 L C 2.844 179.742 176.870 0.047 0.000 1.077 549 L CA 1.305 56.153 54.840 0.013 0.000 0.747 549 L CB -0.717 41.349 42.059 0.011 0.000 0.896 549 L HN 0.246 nan 8.230 nan 0.000 0.432 550 A N 0.265 123.107 122.820 0.037 0.000 1.865 550 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 550 A C 2.242 179.824 177.584 -0.003 0.000 1.191 550 A CA 1.591 53.674 52.037 0.077 0.000 0.623 550 A CB -0.875 18.255 19.000 0.217 0.000 0.826 550 A HN 0.344 nan 8.150 nan 0.000 0.444 551 L N -1.795 119.353 121.223 -0.125 0.000 2.081 551 L HA -0.235 4.105 4.340 -0.001 0.000 0.212 551 L C 2.669 179.563 176.870 0.041 0.000 1.080 551 L CA 1.948 56.737 54.840 -0.085 0.000 0.754 551 L CB -0.684 41.267 42.059 -0.182 0.000 0.893 551 L HN 0.631 nan 8.230 nan 0.000 0.433 552 Y N 1.213 121.451 120.300 -0.104 0.000 2.145 552 Y HA -0.283 4.266 4.550 -0.001 0.000 0.286 552 Y C 2.648 178.538 175.900 -0.017 0.000 1.145 552 Y CA 1.719 59.787 58.100 -0.054 0.000 1.148 552 Y CB -0.438 37.988 38.460 -0.057 0.000 0.981 552 Y HN 0.072 nan 8.280 nan 0.000 0.507 553 K N 0.460 120.800 120.400 -0.101 0.000 2.009 553 K HA -0.282 4.037 4.320 -0.001 0.000 0.210 553 K C 2.235 178.781 176.600 -0.091 0.000 1.049 553 K CA 1.935 58.122 56.287 -0.167 0.000 0.929 553 K CB -0.445 32.008 32.500 -0.077 0.000 0.714 553 K HN 0.470 nan 8.250 nan 0.000 0.440 554 E N 0.559 120.742 120.200 -0.029 0.000 2.086 554 E HA -0.248 4.101 4.350 -0.001 0.000 0.200 554 E C 2.019 178.613 176.600 -0.011 0.000 1.012 554 E CA 1.984 58.377 56.400 -0.010 0.000 0.812 554 E CB -0.287 29.417 29.700 0.007 0.000 0.743 554 E HN 0.542 nan 8.360 nan 0.000 0.453 555 I N -1.039 119.534 120.570 0.005 0.000 2.617 555 I HA -0.086 4.083 4.170 -0.001 0.000 0.256 555 I C 2.243 178.361 176.117 0.002 0.000 1.167 555 I CA 0.859 62.172 61.300 0.023 0.000 1.469 555 I CB -0.066 37.974 38.000 0.066 0.000 1.098 555 I HN -0.055 nan 8.210 nan 0.000 0.436 556 R N 0.936 121.404 120.500 -0.052 0.000 2.066 556 R HA -0.038 4.301 4.340 -0.001 0.000 0.232 556 R C 1.006 177.266 176.300 -0.067 0.000 1.131 556 R CA 1.625 57.668 56.100 -0.095 0.000 0.955 556 R CB -0.233 29.915 30.300 -0.254 0.000 0.851 556 R HN 0.523 nan 8.270 nan 0.000 0.432 557 E N 0.360 120.520 120.200 -0.066 0.000 2.336 557 E HA 0.061 4.411 4.350 -0.001 0.000 0.214 557 E C -0.693 175.892 176.600 -0.026 0.000 1.144 557 E CA -0.151 56.221 56.400 -0.047 0.000 1.294 557 E CB 0.249 29.918 29.700 -0.052 0.000 1.263 557 E HN 0.097 nan 8.360 nan 0.000 0.439 558 N N 0.031 118.720 118.700 -0.018 0.000 3.804 558 N HA -0.002 4.738 4.740 -0.001 0.000 0.127 558 N C -2.470 173.039 175.510 -0.001 0.000 1.217 558 N CA -0.726 52.320 53.050 -0.008 0.000 1.795 558 N CB 0.151 38.635 38.487 -0.005 0.000 1.663 558 N HN -0.124 nan 8.380 nan 0.000 0.723 559 P HA -0.218 nan 4.420 nan 0.000 0.228 559 P C -0.080 177.223 177.300 0.006 0.000 1.153 559 P CA 1.717 64.820 63.100 0.005 0.000 0.897 559 P CB 0.281 31.982 31.700 0.002 0.000 0.782 560 Q N -1.636 118.167 119.800 0.004 0.000 2.553 560 Q HA 0.490 4.829 4.340 -0.001 0.000 0.395 560 Q C -0.294 175.709 176.000 0.005 0.000 0.971 560 Q CA -0.308 55.498 55.803 0.005 0.000 1.090 560 Q CB 0.358 29.099 28.738 0.004 0.000 1.328 560 Q HN 0.119 nan 8.270 nan 0.000 0.413 561 A N -0.076 122.748 122.820 0.007 0.000 2.316 561 A HA 0.236 4.555 4.320 -0.001 0.000 0.284 561 A C 0.510 178.099 177.584 0.007 0.000 1.115 561 A CA -0.418 51.623 52.037 0.007 0.000 0.812 561 A CB 0.644 19.649 19.000 0.008 0.000 1.064 561 A HN 0.284 nan 8.150 nan 0.000 0.489 562 D N 0.460 120.864 120.400 0.007 0.000 2.277 562 D HA -0.034 4.606 4.640 -0.001 0.000 0.208 562 D C 0.405 176.707 176.300 0.004 0.000 0.962 562 D CA 0.479 54.483 54.000 0.007 0.000 0.865 562 D CB 0.044 40.850 40.800 0.009 0.000 0.939 562 D HN 0.382 nan 8.370 nan 0.000 0.510 563 R N 0.547 121.048 120.500 0.002 0.000 2.587 563 R HA -0.035 4.305 4.340 -0.001 0.000 0.268 563 R C 0.347 176.637 176.300 -0.017 0.000 0.978 563 R CA -0.100 55.996 56.100 -0.006 0.000 1.097 563 R CB -0.373 29.926 30.300 -0.002 0.000 0.917 563 R HN -0.031 nan 8.270 nan 0.000 0.414 564 V N 3.398 123.289 119.914 -0.038 0.000 2.686 564 V HA 0.274 4.394 4.120 -0.001 0.000 0.295 564 V C -1.944 174.095 176.094 -0.091 0.000 1.055 564 V CA -1.809 60.454 62.300 -0.061 0.000 1.050 564 V CB 0.910 32.694 31.823 -0.065 0.000 0.984 564 V HN 0.590 nan 8.190 nan 0.000 0.482 565 P HA 0.310 nan 4.420 nan 0.000 0.268 565 P C -0.890 176.327 177.300 -0.138 0.000 1.205 565 P CA 0.200 63.258 63.100 -0.071 0.000 0.771 565 P CB 0.287 31.963 31.700 -0.039 0.000 0.858 566 R N 1.291 121.717 120.500 -0.123 0.000 2.686 566 R HA 0.598 4.937 4.340 -0.001 0.000 0.283 566 R C -1.394 174.799 176.300 -0.178 0.000 0.978 566 R CA -1.061 54.897 56.100 -0.237 0.000 0.897 566 R CB 2.155 32.237 30.300 -0.362 0.000 1.192 566 R HN 0.182 nan 8.270 nan 0.000 0.457 567 V N 3.574 123.337 119.914 -0.251 0.000 2.384 567 V HA 0.399 4.519 4.120 -0.001 0.000 0.287 567 V C -0.743 175.116 176.094 -0.392 0.000 1.020 567 V CA -0.610 61.531 62.300 -0.265 0.000 0.850 567 V CB 1.232 32.791 31.823 -0.441 0.000 0.987 567 V HN 0.540 nan 8.190 nan 0.000 0.436 568 F N 5.553 125.389 119.950 -0.190 0.000 2.391 568 F HA 0.578 5.104 4.527 -0.001 0.000 0.359 568 F C 0.014 175.667 175.800 -0.246 0.000 1.122 568 F CA -0.272 57.595 58.000 -0.221 0.000 1.120 568 F CB 1.152 40.066 39.000 -0.144 0.000 1.142 568 F HN 0.252 nan 8.300 nan 0.000 0.483 569 L N 4.534 125.625 121.223 -0.220 0.000 2.317 569 L HA 0.525 4.864 4.340 -0.001 0.000 0.281 569 L C -0.903 175.728 176.870 -0.399 0.000 1.024 569 L CA -0.417 54.305 54.840 -0.196 0.000 0.810 569 L CB 1.160 43.115 42.059 -0.174 0.000 1.240 569 L HN 0.380 nan 8.230 nan 0.000 0.427 570 F N 0.569 120.372 119.950 -0.244 0.000 2.520 570 F HA 0.763 5.289 4.527 -0.001 0.000 0.322 570 F C 0.619 176.201 175.800 -0.365 0.000 1.103 570 F CA -0.648 57.072 58.000 -0.468 0.000 0.926 570 F CB 2.292 40.668 39.000 -1.039 0.000 1.154 570 F HN 0.400 nan 8.300 nan 0.000 0.453 571 G N 1.276 109.943 108.800 -0.223 0.000 2.617 571 G HA2 0.787 4.747 3.960 -0.001 0.000 0.306 571 G HA3 0.787 4.747 3.960 -0.001 0.000 0.306 571 G C -1.877 172.906 174.900 -0.195 0.000 1.360 571 G CA -0.909 44.112 45.100 -0.132 0.000 0.983 571 G HN 0.987 nan 8.290 nan 0.000 0.496 572 A N 2.027 125.010 122.820 0.271 0.000 2.572 572 A HA 0.660 4.980 4.320 -0.001 0.000 0.303 572 A C -0.860 176.962 177.584 0.397 0.000 1.059 572 A CA -0.824 51.377 52.037 0.274 0.000 0.788 572 A CB 1.093 20.220 19.000 0.211 0.000 1.282 572 A HN 0.629 nan 8.150 nan 0.000 0.397 573 K N 0.847 121.407 120.400 0.266 0.000 2.156 573 K HA 0.781 5.101 4.320 -0.001 0.000 0.254 573 K C -0.143 176.596 176.600 0.231 0.000 0.950 573 K CA -0.426 56.005 56.287 0.241 0.000 0.849 573 K CB 2.411 34.917 32.500 0.010 0.000 1.100 573 K HN 0.987 nan 8.250 nan 0.000 0.434 574 A N 1.449 124.447 122.820 0.297 0.000 2.304 574 A HA 0.611 4.930 4.320 -0.001 0.000 0.323 574 A C -0.250 177.513 177.584 0.299 0.000 1.195 574 A CA -0.705 51.436 52.037 0.174 0.000 0.826 574 A CB 0.869 19.891 19.000 0.036 0.000 1.184 574 A HN 0.798 nan 8.150 nan 0.000 0.496 575 A N 4.548 127.525 122.820 0.262 0.000 2.587 575 A HA 0.389 4.709 4.320 -0.001 0.000 0.235 575 A C -0.905 176.760 177.584 0.134 0.000 1.044 575 A CA -0.280 51.911 52.037 0.256 0.000 0.754 575 A CB -0.204 18.909 19.000 0.189 0.000 0.968 575 A HN 0.663 nan 8.150 nan 0.000 0.509 576 P HA -0.122 nan 4.420 nan 0.000 0.218 576 P C 1.261 178.460 177.300 -0.168 0.000 1.148 576 P CA 1.943 64.975 63.100 -0.114 0.000 0.822 576 P CB -0.010 31.607 31.700 -0.138 0.000 0.784 577 G N -2.383 106.307 108.800 -0.184 0.000 2.985 577 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.209 577 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.209 577 G C -0.007 174.523 174.900 -0.616 0.000 1.165 577 G CA -0.048 44.796 45.100 -0.427 0.000 0.776 577 G HN 0.170 nan 8.290 nan 0.000 0.541 578 Y N 2.170 122.196 120.300 -0.457 0.000 2.714 578 Y HA 0.398 4.947 4.550 -0.001 0.000 0.333 578 Y C 0.618 176.357 175.900 -0.268 0.000 1.220 578 Y CA -2.490 55.409 58.100 -0.336 0.000 1.513 578 Y CB -0.411 37.929 38.460 -0.201 0.000 1.435 578 Y HN 0.232 nan 8.280 nan 0.000 0.489 579 Y N 2.061 122.493 120.300 0.219 0.000 2.224 579 Y HA -0.244 4.305 4.550 -0.001 0.000 0.289 579 Y C 2.106 178.045 175.900 0.065 0.000 1.146 579 Y CA 1.126 59.284 58.100 0.098 0.000 1.182 579 Y CB -0.756 37.748 38.460 0.074 0.000 0.983 579 Y HN 0.484 nan 8.280 nan 0.000 0.524 580 L N 0.761 122.142 121.223 0.263 0.000 1.989 580 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 580 L C 2.413 179.203 176.870 -0.132 0.000 1.071 580 L CA 2.094 57.000 54.840 0.111 0.000 0.749 580 L CB -1.349 40.830 42.059 0.201 0.000 0.890 580 L HN 0.158 nan 8.230 nan 0.000 0.431 581 A N -0.641 121.876 122.820 -0.504 0.000 1.917 581 A HA -0.286 4.033 4.320 -0.001 0.000 0.219 581 A C 2.339 179.772 177.584 -0.252 0.000 1.182 581 A CA 2.259 53.912 52.037 -0.640 0.000 0.633 581 A CB -0.632 17.616 19.000 -1.254 0.000 0.819 581 A HN 0.574 nan 8.150 nan 0.000 0.448 582 K N -0.525 119.798 120.400 -0.129 0.000 2.147 582 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 582 K C 1.986 178.623 176.600 0.061 0.000 1.049 582 K CA 1.148 57.430 56.287 -0.008 0.000 0.936 582 K CB -0.221 32.295 32.500 0.027 0.000 0.722 582 K HN 0.612 nan 8.250 nan 0.000 0.446 583 N N 0.997 119.748 118.700 0.085 0.000 2.216 583 N HA -0.101 4.638 4.740 -0.001 0.000 0.183 583 N C 1.761 177.371 175.510 0.166 0.000 1.017 583 N CA 0.754 53.928 53.050 0.207 0.000 0.861 583 N CB 0.113 38.721 38.487 0.202 0.000 0.986 583 N HN 0.115 nan 8.380 nan 0.000 0.428 584 I N 1.113 121.682 120.570 -0.001 0.000 2.252 584 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 584 I C 2.202 178.273 176.117 -0.077 0.000 1.102 584 I CA 0.786 62.029 61.300 -0.095 0.000 1.385 584 I CB -0.115 37.761 38.000 -0.207 0.000 1.064 584 I HN 0.139 nan 8.210 nan 0.000 0.414 585 I N -0.019 120.546 120.570 -0.008 0.000 2.208 585 I HA -0.339 3.831 4.170 -0.001 0.000 0.245 585 I C 2.520 178.606 176.117 -0.052 0.000 1.097 585 I CA 1.466 62.772 61.300 0.010 0.000 1.363 585 I CB -0.397 37.602 38.000 -0.002 0.000 1.051 585 I HN 0.202 nan 8.210 nan 0.000 0.413 586 F N 2.072 121.950 119.950 -0.119 0.000 2.069 586 F HA -0.242 4.285 4.527 -0.001 0.000 0.298 586 F C 2.517 178.291 175.800 -0.043 0.000 1.113 586 F CA 1.351 59.325 58.000 -0.044 0.000 1.214 586 F CB -0.842 38.215 39.000 0.094 0.000 0.978 586 F HN 0.024 nan 8.300 nan 0.000 0.474 587 A N 0.692 123.329 122.820 -0.306 0.000 1.917 587 A HA -0.222 4.097 4.320 -0.001 0.000 0.219 587 A C 2.393 179.579 177.584 -0.663 0.000 1.182 587 A CA 2.302 53.775 52.037 -0.940 0.000 0.633 587 A CB -1.348 17.141 19.000 -0.852 0.000 0.819 587 A HN 0.512 nan 8.150 nan 0.000 0.448 588 I N -0.256 120.050 120.570 -0.441 0.000 2.252 588 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 588 I C 2.173 178.080 176.117 -0.349 0.000 1.102 588 I CA 1.116 62.152 61.300 -0.440 0.000 1.385 588 I CB -0.352 37.334 38.000 -0.523 0.000 1.064 588 I HN 0.301 nan 8.210 nan 0.000 0.414 589 N N 0.600 119.128 118.700 -0.287 0.000 2.188 589 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 589 N C 1.806 177.189 175.510 -0.213 0.000 1.018 589 N CA 0.975 53.872 53.050 -0.255 0.000 0.858 589 N CB -0.076 38.194 38.487 -0.362 0.000 0.989 589 N HN 0.196 nan 8.380 nan 0.000 0.426 590 K N 0.836 121.082 120.400 -0.257 0.000 2.025 590 K HA 0.044 4.363 4.320 -0.001 0.000 0.207 590 K C 2.115 178.589 176.600 -0.211 0.000 1.049 590 K CA 0.408 56.584 56.287 -0.185 0.000 0.933 590 K CB -0.848 31.532 32.500 -0.200 0.000 0.714 590 K HN -0.007 nan 8.250 nan 0.000 0.438 591 V N 1.652 121.297 119.914 -0.448 0.000 2.407 591 V HA -0.216 3.903 4.120 -0.001 0.000 0.248 591 V C 2.406 178.263 176.094 -0.395 0.000 1.055 591 V CA 1.848 63.752 62.300 -0.660 0.000 1.049 591 V CB -0.798 30.518 31.823 -0.844 0.000 0.662 591 V HN 0.268 nan 8.190 nan 0.000 0.455 592 A N -0.086 122.557 122.820 -0.295 0.000 1.940 592 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 592 A C 1.981 179.480 177.584 -0.141 0.000 1.176 592 A CA 2.119 54.037 52.037 -0.198 0.000 0.631 592 A CB -0.595 18.329 19.000 -0.127 0.000 0.814 592 A HN 0.540 nan 8.150 nan 0.000 0.446 593 D N -0.489 119.849 120.400 -0.104 0.000 2.144 593 D HA -0.079 4.561 4.640 -0.001 0.000 0.200 593 D C 2.068 178.350 176.300 -0.030 0.000 0.978 593 D CA 1.245 55.216 54.000 -0.047 0.000 0.833 593 D CB -0.386 40.405 40.800 -0.016 0.000 0.961 593 D HN 0.213 nan 8.370 nan 0.000 0.470 594 V N 1.062 120.971 119.914 -0.009 0.000 2.270 594 V HA -0.203 3.917 4.120 -0.001 0.000 0.245 594 V C 2.524 178.572 176.094 -0.077 0.000 1.043 594 V CA 1.127 63.458 62.300 0.052 0.000 1.014 594 V CB -0.322 31.672 31.823 0.286 0.000 0.645 594 V HN 0.164 nan 8.190 nan 0.000 0.447 595 I N 0.594 120.992 120.570 -0.288 0.000 2.163 595 I HA -0.247 3.922 4.170 -0.001 0.000 0.243 595 I C 2.248 178.236 176.117 -0.216 0.000 1.085 595 I CA 1.571 62.584 61.300 -0.479 0.000 1.347 595 I CB -0.518 37.115 38.000 -0.611 0.000 1.044 595 I HN 0.367 nan 8.210 nan 0.000 0.408 596 N N 0.829 119.446 118.700 -0.138 0.000 2.309 596 N HA -0.108 4.632 4.740 -0.001 0.000 0.182 596 N C 1.088 176.575 175.510 -0.039 0.000 1.018 596 N CA 0.957 53.964 53.050 -0.073 0.000 0.876 596 N CB -0.359 38.097 38.487 -0.051 0.000 0.972 596 N HN 0.419 nan 8.380 nan 0.000 0.434 597 N N 0.574 119.256 118.700 -0.030 0.000 2.230 597 N HA -0.038 4.702 4.740 -0.001 0.000 0.202 597 N C -0.526 174.994 175.510 0.017 0.000 1.119 597 N CA 0.033 53.082 53.050 -0.001 0.000 0.851 597 N CB 0.523 39.014 38.487 0.006 0.000 0.990 597 N HN 0.144 nan 8.380 nan 0.000 0.497 598 D N 2.237 122.650 120.400 0.021 0.000 2.365 598 D HA 0.119 4.759 4.640 -0.001 0.000 0.237 598 D C -1.371 174.963 176.300 0.056 0.000 1.190 598 D CA -1.970 52.070 54.000 0.067 0.000 0.867 598 D CB 1.696 42.582 40.800 0.143 0.000 1.050 598 D HN 0.046 nan 8.370 nan 0.000 0.491 599 P HA -0.152 nan 4.420 nan 0.000 0.222 599 P C 1.571 178.895 177.300 0.040 0.000 1.147 599 P CA 0.194 63.315 63.100 0.035 0.000 0.790 599 P CB 0.489 32.205 31.700 0.028 0.000 0.780 600 L N -0.694 120.561 121.223 0.054 0.000 2.275 600 L HA -0.071 4.268 4.340 -0.001 0.000 0.215 600 L C 2.257 179.168 176.870 0.068 0.000 1.119 600 L CA 1.364 56.237 54.840 0.056 0.000 0.790 600 L CB -0.762 41.334 42.059 0.062 0.000 0.919 600 L HN -0.210 nan 8.230 nan 0.000 0.443 601 V N -1.076 118.888 119.914 0.083 0.000 2.374 601 V HA 0.276 4.395 4.120 -0.001 0.000 0.241 601 V C 1.942 178.061 176.094 0.041 0.000 1.034 601 V CA 0.880 63.227 62.300 0.079 0.000 1.037 601 V CB -1.067 30.804 31.823 0.080 0.000 0.682 601 V HN 0.588 nan 8.190 nan 0.000 0.463 602 G N 0.794 109.611 108.800 0.028 0.000 2.622 602 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.307 602 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.307 602 G C 0.394 175.301 174.900 0.012 0.000 1.226 602 G CA 0.663 45.773 45.100 0.018 0.000 0.997 602 G HN 0.405 nan 8.290 nan 0.000 0.551 603 D N 0.955 121.363 120.400 0.013 0.000 2.336 603 D HA 0.154 4.793 4.640 -0.001 0.000 0.229 603 D C 2.213 178.518 176.300 0.008 0.000 1.061 603 D CA 0.487 54.493 54.000 0.010 0.000 0.875 603 D CB 0.126 40.934 40.800 0.014 0.000 0.904 603 D HN 0.518 nan 8.370 nan 0.000 0.525 604 K N -0.477 119.931 120.400 0.012 0.000 2.228 604 K HA 0.064 4.383 4.320 -0.001 0.000 0.202 604 K C 0.217 176.825 176.600 0.014 0.000 1.051 604 K CA 0.373 56.667 56.287 0.012 0.000 0.960 604 K CB 0.751 33.267 32.500 0.026 0.000 0.743 604 K HN -0.029 nan 8.250 nan 0.000 0.458 605 L N 0.580 121.811 121.223 0.013 0.000 2.588 605 L HA 0.297 4.637 4.340 -0.001 0.000 0.263 605 L C -1.973 174.891 176.870 -0.010 0.000 0.935 605 L CA -0.393 54.460 54.840 0.022 0.000 0.891 605 L CB 1.673 43.748 42.059 0.027 0.000 1.318 605 L HN -0.241 nan 8.230 nan 0.000 0.409 606 K N 3.799 124.203 120.400 0.008 0.000 2.469 606 K HA 0.810 5.130 4.320 -0.001 0.000 0.254 606 K C -1.652 174.967 176.600 0.031 0.000 0.939 606 K CA -0.775 55.501 56.287 -0.017 0.000 0.812 606 K CB 2.915 35.391 32.500 -0.039 0.000 1.301 606 K HN 0.320 nan 8.250 nan 0.000 0.433 607 V N 1.799 121.719 119.914 0.009 0.000 2.443 607 V HA 0.368 4.488 4.120 -0.001 0.000 0.293 607 V C -0.677 175.456 176.094 0.066 0.000 1.021 607 V CA -0.938 61.403 62.300 0.069 0.000 0.848 607 V CB 1.862 33.687 31.823 0.002 0.000 0.998 607 V HN 0.434 nan 8.190 nan 0.000 0.424 608 V N 5.591 125.571 119.914 0.109 0.000 2.376 608 V HA 0.426 4.545 4.120 -0.001 0.000 0.287 608 V C -0.839 175.395 176.094 0.234 0.000 1.015 608 V CA -0.429 61.943 62.300 0.120 0.000 0.834 608 V CB 1.677 33.520 31.823 0.033 0.000 1.001 608 V HN 0.702 nan 8.190 nan 0.000 0.428 609 F N 6.134 126.163 119.950 0.131 0.000 2.334 609 F HA 0.523 5.050 4.527 -0.001 0.000 0.365 609 F C 0.102 176.075 175.800 0.288 0.000 1.124 609 F CA -1.303 56.813 58.000 0.194 0.000 1.166 609 F CB 0.672 39.668 39.000 -0.007 0.000 1.355 609 F HN 0.316 nan 8.300 nan 0.000 0.532 610 L N 8.303 129.865 121.223 0.564 0.000 2.433 610 L HA 0.223 4.562 4.340 -0.001 0.000 0.275 610 L C -1.868 175.284 176.870 0.469 0.000 1.128 610 L CA -1.687 53.402 54.840 0.415 0.000 0.875 610 L CB 0.336 42.598 42.059 0.338 0.000 1.171 610 L HN 0.389 nan 8.230 nan 0.000 0.463 611 P HA 0.061 nan 4.420 nan 0.000 0.275 611 P C -0.372 176.930 177.300 0.004 0.000 1.228 611 P CA -0.095 62.923 63.100 -0.136 0.000 0.786 611 P CB 0.879 32.261 31.700 -0.532 0.000 0.927 612 D N -0.289 120.101 120.400 -0.016 0.000 2.739 612 D HA -0.231 4.408 4.640 -0.001 0.000 0.240 612 D C -0.826 175.541 176.300 0.111 0.000 1.114 612 D CA 0.417 54.426 54.000 0.014 0.000 0.695 612 D CB -2.087 38.699 40.800 -0.023 0.000 1.078 612 D HN 0.341 nan 8.370 nan 0.000 0.434 613 Y N 0.874 121.221 120.300 0.078 0.000 2.805 613 Y HA 0.226 4.775 4.550 -0.001 0.000 0.331 613 Y C 0.878 176.802 175.900 0.039 0.000 1.241 613 Y CA 0.253 58.414 58.100 0.100 0.000 1.546 613 Y CB -0.023 38.517 38.460 0.132 0.000 1.248 613 Y HN 0.439 nan 8.280 nan 0.000 0.559 614 C N 3.112 122.118 119.300 -0.491 0.000 3.316 614 C HA 0.499 4.958 4.460 -0.001 0.000 0.360 614 C C 1.041 175.764 174.990 -0.444 0.000 1.560 614 C CA -0.463 58.307 59.018 -0.413 0.000 1.229 614 C CB 0.707 28.336 27.740 -0.184 0.000 1.823 614 C HN 0.602 nan 8.230 nan 0.000 0.440 615 V N 1.468 121.244 119.914 -0.230 0.000 2.407 615 V HA -0.138 3.981 4.120 -0.001 0.000 0.248 615 V C 2.652 178.706 176.094 -0.066 0.000 1.055 615 V CA 2.937 65.192 62.300 -0.076 0.000 1.049 615 V CB -0.849 30.955 31.823 -0.033 0.000 0.662 615 V HN 0.955 nan 8.190 nan 0.000 0.455 616 S N -0.136 115.506 115.700 -0.097 0.000 2.383 616 S HA -0.117 4.352 4.470 -0.001 0.000 0.227 616 S C 2.219 176.751 174.600 -0.113 0.000 1.026 616 S CA 1.300 59.444 58.200 -0.093 0.000 0.981 616 S CB -0.389 62.774 63.200 -0.062 0.000 0.818 616 S HN 0.651 nan 8.310 nan 0.000 0.472 617 A N 1.796 124.580 122.820 -0.060 0.000 1.858 617 A HA 0.062 4.382 4.320 -0.001 0.000 0.216 617 A C 2.389 180.012 177.584 0.065 0.000 1.190 617 A CA 1.792 53.833 52.037 0.007 0.000 0.617 617 A CB -1.278 17.862 19.000 0.233 0.000 0.827 617 A HN 0.517 nan 8.150 nan 0.000 0.443 618 A N -0.123 122.760 122.820 0.106 0.000 1.917 618 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 618 A C 1.867 179.618 177.584 0.278 0.000 1.182 618 A CA 1.858 54.064 52.037 0.282 0.000 0.633 618 A CB -0.676 18.495 19.000 0.285 0.000 0.819 618 A HN 0.673 nan 8.150 nan 0.000 0.448 619 E N -0.428 119.889 120.200 0.195 0.000 2.204 619 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 619 E C 1.913 178.516 176.600 0.005 0.000 0.990 619 E CA 1.179 57.638 56.400 0.097 0.000 0.821 619 E CB -0.073 29.577 29.700 -0.084 0.000 0.750 619 E HN 0.594 nan 8.360 nan 0.000 0.477 620 K N 0.202 120.546 120.400 -0.095 0.000 2.128 620 K HA 0.013 4.332 4.320 -0.001 0.000 0.202 620 K C 2.230 178.821 176.600 -0.014 0.000 1.050 620 K CA 0.416 56.607 56.287 -0.159 0.000 0.966 620 K CB 0.028 32.213 32.500 -0.525 0.000 0.759 620 K HN 0.100 nan 8.250 nan 0.000 0.454 621 L N 1.035 122.289 121.223 0.053 0.000 2.027 621 L HA -0.130 4.210 4.340 -0.001 0.000 0.206 621 L C 2.400 179.338 176.870 0.112 0.000 1.074 621 L CA 1.066 55.975 54.840 0.115 0.000 0.745 621 L CB -0.319 41.831 42.059 0.152 0.000 0.898 621 L HN 0.084 nan 8.230 nan 0.000 0.433 622 I N -0.251 120.392 120.570 0.122 0.000 2.179 622 I HA -0.208 3.961 4.170 -0.001 0.000 0.242 622 I C -0.462 175.705 176.117 0.085 0.000 1.088 622 I CA 1.377 62.739 61.300 0.102 0.000 1.357 622 I CB -1.170 36.905 38.000 0.125 0.000 1.051 622 I HN 0.192 nan 8.210 nan 0.000 0.409 623 P HA -0.123 nan 4.420 nan 0.000 0.225 623 P C 0.842 178.158 177.300 0.028 0.000 1.148 623 P CA 1.192 64.315 63.100 0.037 0.000 0.779 623 P CB 0.015 31.727 31.700 0.020 0.000 0.780 624 A N -1.136 121.725 122.820 0.069 0.000 2.275 624 A HA 0.472 4.792 4.320 -0.001 0.000 0.212 624 A C 1.142 178.795 177.584 0.114 0.000 1.201 624 A CA 0.052 52.140 52.037 0.086 0.000 0.843 624 A CB -0.644 18.476 19.000 0.199 0.000 0.873 624 A HN 0.190 nan 8.150 nan 0.000 0.492 625 A N 0.074 122.961 122.820 0.110 0.000 2.401 625 A HA 0.448 4.767 4.320 -0.001 0.000 0.259 625 A C 0.389 178.055 177.584 0.136 0.000 1.103 625 A CA -0.133 51.977 52.037 0.122 0.000 0.789 625 A CB 0.285 19.333 19.000 0.080 0.000 1.035 625 A HN 0.292 nan 8.150 nan 0.000 0.491 626 D N 0.733 121.224 120.400 0.152 0.000 2.369 626 D HA 0.112 4.751 4.640 -0.001 0.000 0.231 626 D C 0.240 176.736 176.300 0.327 0.000 0.967 626 D CA 0.996 55.165 54.000 0.281 0.000 0.905 626 D CB 0.211 41.106 40.800 0.158 0.000 1.044 626 D HN 0.389 nan 8.370 nan 0.000 0.487 627 I N 1.123 121.781 120.570 0.146 0.000 2.378 627 I HA 0.149 4.319 4.170 -0.001 0.000 0.291 627 I C 0.096 176.233 176.117 0.033 0.000 0.992 627 I CA -0.418 60.937 61.300 0.091 0.000 1.154 627 I CB 1.604 39.594 38.000 -0.017 0.000 1.315 627 I HN -0.232 nan 8.210 nan 0.000 0.448 628 S N 6.314 122.043 115.700 0.048 0.000 2.410 628 S HA 0.262 4.731 4.470 -0.001 0.000 0.304 628 S C -0.109 174.508 174.600 0.028 0.000 1.095 628 S CA -0.584 57.625 58.200 0.015 0.000 1.089 628 S CB 0.266 63.473 63.200 0.012 0.000 0.968 628 S HN 0.394 nan 8.310 nan 0.000 0.480 629 E N 3.998 124.197 120.200 -0.000 0.000 2.105 629 E HA 0.186 4.536 4.350 -0.001 0.000 0.285 629 E C -0.464 176.147 176.600 0.019 0.000 1.055 629 E CA -0.272 56.149 56.400 0.036 0.000 0.843 629 E CB 0.905 30.606 29.700 0.002 0.000 1.067 629 E HN 0.598 nan 8.360 nan 0.000 0.398 630 Q N 2.844 122.683 119.800 0.064 0.000 3.064 630 Q HA 0.261 4.601 4.340 -0.001 0.000 0.258 630 Q C 0.589 176.618 176.000 0.048 0.000 0.972 630 Q CA -0.128 55.691 55.803 0.028 0.000 0.761 630 Q CB 0.191 28.930 28.738 0.003 0.000 1.281 630 Q HN 0.603 nan 8.270 nan 0.000 0.455 631 I N -1.839 118.751 120.570 0.033 0.000 3.762 631 I HA 0.270 4.440 4.170 -0.001 0.000 0.333 631 I C 0.418 176.523 176.117 -0.020 0.000 1.566 631 I CA -0.676 60.648 61.300 0.039 0.000 1.129 631 I CB 0.517 38.526 38.000 0.015 0.000 1.218 631 I HN 0.003 nan 8.210 nan 0.000 0.456 632 S N 0.365 116.062 115.700 -0.005 0.000 2.568 632 S HA 0.170 4.640 4.470 -0.001 0.000 0.282 632 S C 0.578 175.187 174.600 0.014 0.000 1.338 632 S CA -0.262 57.969 58.200 0.052 0.000 1.045 632 S CB 0.265 63.555 63.200 0.150 0.000 0.873 632 S HN 0.372 nan 8.310 nan 0.000 0.516 633 T N 2.909 117.508 114.554 0.075 0.000 2.908 633 T HA 0.361 4.711 4.350 -0.001 0.000 0.301 633 T C 0.757 175.460 174.700 0.004 0.000 1.019 633 T CA 0.324 62.455 62.100 0.052 0.000 1.152 633 T CB -0.051 68.929 68.868 0.186 0.000 0.966 633 T HN 0.995 nan 8.240 nan 0.000 0.540 634 A N 2.719 125.508 122.820 -0.051 0.000 2.540 634 A HA 0.493 4.812 4.320 -0.001 0.000 0.239 634 A C 1.630 179.184 177.584 -0.050 0.000 1.061 634 A CA 0.213 52.211 52.037 -0.065 0.000 0.758 634 A CB -0.715 18.238 19.000 -0.078 0.000 0.991 634 A HN 1.657 nan 8.150 nan 0.000 0.502 635 G N 1.635 110.404 108.800 -0.052 0.000 2.175 635 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.244 635 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.244 635 G C 0.824 175.675 174.900 -0.082 0.000 0.982 635 G CA 0.633 45.701 45.100 -0.053 0.000 0.641 635 G HN 0.681 nan 8.290 nan 0.000 0.527 636 K N -0.111 120.218 120.400 -0.118 0.000 2.387 636 K HA 0.205 4.525 4.320 -0.001 0.000 0.197 636 K C 0.682 176.963 176.600 -0.531 0.000 1.127 636 K CA 0.296 56.407 56.287 -0.294 0.000 0.950 636 K CB 0.505 32.880 32.500 -0.209 0.000 1.017 636 K HN 0.385 nan 8.250 nan 0.000 0.519 637 E N 1.421 121.484 120.200 -0.228 0.000 2.105 637 E HA 0.277 4.626 4.350 -0.001 0.000 0.285 637 E C 0.614 177.128 176.600 -0.142 0.000 1.055 637 E CA -0.103 56.235 56.400 -0.104 0.000 0.843 637 E CB 1.242 30.993 29.700 0.086 0.000 1.067 637 E HN 0.170 nan 8.360 nan 0.000 0.398 638 A N 3.483 126.163 122.820 -0.234 0.000 1.858 638 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 638 A C 1.971 179.451 177.584 -0.173 0.000 1.190 638 A CA 2.033 53.840 52.037 -0.385 0.000 0.617 638 A CB -0.353 18.160 19.000 -0.813 0.000 0.827 638 A HN 0.609 nan 8.150 nan 0.000 0.443 639 S N -3.316 112.323 115.700 -0.102 0.000 3.730 639 S HA 0.467 4.937 4.470 -0.001 0.000 0.218 639 S C 0.706 175.288 174.600 -0.030 0.000 1.053 639 S CA 1.505 59.689 58.200 -0.027 0.000 0.878 639 S CB 0.026 63.234 63.200 0.014 0.000 1.064 639 S HN 2.225 nan 8.310 nan 0.000 0.583 640 G N 0.271 109.056 108.800 -0.025 0.000 2.785 640 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.686 640 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.686 640 G C 0.190 175.049 174.900 -0.069 0.000 1.155 640 G CA 0.368 45.443 45.100 -0.042 0.000 0.760 640 G HN 1.209 nan 8.290 nan 0.000 0.624 641 T N -1.365 113.133 114.554 -0.094 0.000 2.992 641 T HA 0.386 4.736 4.350 -0.001 0.000 0.255 641 T C 2.299 176.873 174.700 -0.209 0.000 0.938 641 T CA 1.200 63.218 62.100 -0.138 0.000 0.895 641 T CB 0.536 69.329 68.868 -0.126 0.000 1.221 641 T HN 1.785 nan 8.240 nan 0.000 0.512 642 G N 3.244 111.933 108.800 -0.185 0.000 2.408 642 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.217 642 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.217 642 G C 1.569 176.359 174.900 -0.184 0.000 1.150 642 G CA 1.138 46.112 45.100 -0.210 0.000 0.776 642 G HN 0.662 nan 8.290 nan 0.000 0.542 643 N N 1.155 119.760 118.700 -0.159 0.000 2.091 643 N HA -0.206 4.533 4.740 -0.001 0.000 0.193 643 N C 1.978 177.360 175.510 -0.214 0.000 1.021 643 N CA 2.055 55.007 53.050 -0.164 0.000 0.862 643 N CB -0.691 37.698 38.487 -0.163 0.000 1.018 643 N HN 0.419 nan 8.380 nan 0.000 0.429 644 M N -0.035 119.406 119.600 -0.267 0.000 2.156 644 M HA 0.035 4.514 4.480 -0.001 0.000 0.264 644 M C 2.131 178.342 176.300 -0.149 0.000 1.067 644 M CA 1.356 56.486 55.300 -0.283 0.000 1.131 644 M CB -0.158 32.289 32.600 -0.254 0.000 1.368 644 M HN 0.063 nan 8.290 nan 0.000 0.416 645 K N 0.632 120.918 120.400 -0.190 0.000 2.032 645 K HA -0.121 4.199 4.320 -0.001 0.000 0.209 645 K C 1.849 178.407 176.600 -0.070 0.000 1.048 645 K CA 1.302 57.489 56.287 -0.167 0.000 0.927 645 K CB -0.315 31.949 32.500 -0.394 0.000 0.712 645 K HN 0.241 nan 8.250 nan 0.000 0.441 646 L N 0.228 121.399 121.223 -0.087 0.000 2.027 646 L HA -0.164 4.175 4.340 -0.001 0.000 0.206 646 L C 2.527 179.393 176.870 -0.008 0.000 1.074 646 L CA 1.195 56.015 54.840 -0.034 0.000 0.745 646 L CB -0.499 41.534 42.059 -0.042 0.000 0.898 646 L HN 0.209 nan 8.230 nan 0.000 0.433 647 A N 0.056 122.855 122.820 -0.036 0.000 1.883 647 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 647 A C 2.250 179.852 177.584 0.029 0.000 1.186 647 A CA 1.654 53.681 52.037 -0.016 0.000 0.624 647 A CB -0.877 18.084 19.000 -0.064 0.000 0.822 647 A HN 0.353 nan 8.150 nan 0.000 0.444 648 L N -0.189 121.055 121.223 0.036 0.000 2.131 648 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 648 L C 1.690 178.598 176.870 0.064 0.000 1.092 648 L CA 1.108 55.988 54.840 0.067 0.000 0.759 648 L CB -0.391 41.720 42.059 0.087 0.000 0.903 648 L HN 0.428 nan 8.230 nan 0.000 0.435 649 N N -0.233 118.498 118.700 0.051 0.000 2.398 649 N HA 0.038 4.777 4.740 -0.001 0.000 0.188 649 N C 1.100 176.632 175.510 0.037 0.000 1.122 649 N CA 0.943 54.010 53.050 0.028 0.000 0.866 649 N CB 0.887 39.397 38.487 0.037 0.000 0.970 649 N HN 0.422 nan 8.380 nan 0.000 0.462 650 G N 0.227 109.091 108.800 0.107 0.000 2.134 650 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.209 650 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.209 650 G C 0.074 175.075 174.900 0.168 0.000 0.993 650 G CA 0.028 45.247 45.100 0.198 0.000 0.669 650 G HN 0.511 nan 8.290 nan 0.000 0.519 651 A N 0.049 122.937 122.820 0.113 0.000 2.316 651 A HA 0.811 5.131 4.320 -0.001 0.000 0.284 651 A C 0.518 178.135 177.584 0.055 0.000 1.115 651 A CA -0.333 51.778 52.037 0.123 0.000 0.812 651 A CB 0.598 19.655 19.000 0.095 0.000 1.064 651 A HN 0.790 nan 8.150 nan 0.000 0.489 652 L N 1.456 122.709 121.223 0.050 0.000 2.334 652 L HA 0.360 4.700 4.340 -0.001 0.000 0.277 652 L C 0.260 177.205 176.870 0.125 0.000 1.075 652 L CA -0.391 54.453 54.840 0.007 0.000 0.804 652 L CB 1.450 43.426 42.059 -0.138 0.000 1.174 652 L HN 0.661 nan 8.230 nan 0.000 0.438 653 T N 2.248 116.878 114.554 0.127 0.000 2.771 653 T HA 0.320 4.670 4.350 -0.001 0.000 0.291 653 T C -0.031 174.828 174.700 0.265 0.000 0.954 653 T CA -0.360 61.822 62.100 0.137 0.000 1.045 653 T CB 1.428 70.332 68.868 0.060 0.000 0.917 653 T HN 0.202 nan 8.240 nan 0.000 0.484 654 V N 3.611 123.658 119.914 0.223 0.000 2.333 654 V HA 0.761 4.881 4.120 -0.001 0.000 0.274 654 V C 0.659 176.978 176.094 0.374 0.000 1.028 654 V CA -0.280 62.194 62.300 0.290 0.000 0.851 654 V CB 0.893 32.797 31.823 0.135 0.000 1.000 654 V HN 1.075 nan 8.190 nan 0.000 0.456 655 G N 2.675 111.744 108.800 0.448 0.000 2.698 655 G HA2 0.615 4.574 3.960 -0.001 0.000 0.293 655 G HA3 0.615 4.574 3.960 -0.001 0.000 0.293 655 G C -0.477 174.350 174.900 -0.121 0.000 1.437 655 G CA -0.185 45.055 45.100 0.234 0.000 0.852 655 G HN 0.679 nan 8.290 nan 0.000 0.499 656 T N -1.095 113.221 114.554 -0.396 0.000 2.828 656 T HA 0.477 4.827 4.350 -0.001 0.000 0.290 656 T C 0.594 175.157 174.700 -0.229 0.000 1.019 656 T CA -0.636 61.159 62.100 -0.508 0.000 1.031 656 T CB 1.157 69.750 68.868 -0.457 0.000 1.001 656 T HN 0.378 nan 8.240 nan 0.000 0.531 657 L N 2.204 123.312 121.223 -0.192 0.000 2.395 657 L HA 0.326 4.666 4.340 -0.001 0.000 0.268 657 L C -0.277 176.543 176.870 -0.083 0.000 1.223 657 L CA 0.218 54.994 54.840 -0.106 0.000 1.093 657 L CB -0.745 41.262 42.059 -0.086 0.000 1.349 657 L HN 0.783 nan 8.230 nan 0.000 0.427 658 D N 1.025 121.382 120.400 -0.071 0.000 2.736 658 D HA 0.544 5.183 4.640 -0.001 0.000 0.223 658 D C 0.411 176.691 176.300 -0.034 0.000 1.231 658 D CA 0.781 54.749 54.000 -0.052 0.000 0.818 658 D CB 2.089 42.852 40.800 -0.062 0.000 1.587 658 D HN 0.442 nan 8.370 nan 0.000 0.463 659 G N 1.884 110.674 108.800 -0.018 0.000 2.634 659 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.309 659 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.309 659 G C 1.000 175.902 174.900 0.004 0.000 1.265 659 G CA 1.094 46.189 45.100 -0.008 0.000 0.998 659 G HN 1.173 nan 8.290 nan 0.000 0.551 660 A N -0.264 122.548 122.820 -0.013 0.000 2.208 660 A HA 0.191 4.511 4.320 -0.001 0.000 0.209 660 A C 2.030 179.578 177.584 -0.060 0.000 1.161 660 A CA 1.563 53.597 52.037 -0.006 0.000 0.782 660 A CB -0.361 18.616 19.000 -0.038 0.000 0.816 660 A HN 0.613 nan 8.150 nan 0.000 0.477 661 N N 0.494 119.151 118.700 -0.072 0.000 2.258 661 N HA -0.173 4.566 4.740 -0.001 0.000 0.187 661 N C 1.759 177.252 175.510 -0.029 0.000 1.012 661 N CA 1.632 54.641 53.050 -0.068 0.000 0.870 661 N CB -0.628 37.825 38.487 -0.057 0.000 0.977 661 N HN 0.520 nan 8.380 nan 0.000 0.434 662 V N 0.063 119.974 119.914 -0.005 0.000 2.488 662 V HA -0.078 4.041 4.120 -0.001 0.000 0.246 662 V C 1.721 177.847 176.094 0.054 0.000 1.046 662 V CA 1.472 63.780 62.300 0.012 0.000 1.053 662 V CB -0.351 31.475 31.823 0.004 0.000 0.679 662 V HN 0.124 nan 8.190 nan 0.000 0.458 663 E N 0.270 120.534 120.200 0.106 0.000 2.150 663 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 663 E C 2.113 178.895 176.600 0.303 0.000 0.985 663 E CA 1.798 58.325 56.400 0.211 0.000 0.814 663 E CB -0.224 29.663 29.700 0.312 0.000 0.752 663 E HN 0.703 nan 8.360 nan 0.000 0.466 664 I N 0.850 121.528 120.570 0.179 0.000 2.163 664 I HA -0.240 3.930 4.170 -0.001 0.000 0.240 664 I C 2.537 178.703 176.117 0.081 0.000 1.081 664 I CA 0.855 62.220 61.300 0.109 0.000 1.353 664 I CB -0.322 37.585 38.000 -0.155 0.000 1.054 664 I HN 0.093 nan 8.210 nan 0.000 0.407 665 A N 0.308 123.145 122.820 0.029 0.000 1.883 665 A HA -0.294 4.026 4.320 -0.001 0.000 0.217 665 A C 2.281 179.871 177.584 0.011 0.000 1.186 665 A CA 2.063 54.102 52.037 0.002 0.000 0.624 665 A CB -0.756 18.238 19.000 -0.011 0.000 0.822 665 A HN 0.471 nan 8.150 nan 0.000 0.444 666 E N -0.709 119.510 120.200 0.031 0.000 2.085 666 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 666 E C 1.890 178.505 176.600 0.024 0.000 0.994 666 E CA 1.371 57.786 56.400 0.024 0.000 0.801 666 E CB 0.013 29.734 29.700 0.035 0.000 0.743 666 E HN 0.306 nan 8.360 nan 0.000 0.453 667 K N -0.105 120.330 120.400 0.059 0.000 2.076 667 K HA -0.078 4.242 4.320 -0.001 0.000 0.204 667 K C 2.208 178.825 176.600 0.028 0.000 1.051 667 K CA 1.260 57.577 56.287 0.051 0.000 0.949 667 K CB -0.410 32.160 32.500 0.117 0.000 0.726 667 K HN 0.261 nan 8.250 nan 0.000 0.443 668 V N -2.768 117.162 119.914 0.027 0.000 2.878 668 V HA 0.292 4.412 4.120 -0.001 0.000 0.250 668 V C 0.796 176.863 176.094 -0.045 0.000 1.075 668 V CA 0.673 62.967 62.300 -0.011 0.000 1.096 668 V CB -0.682 31.127 31.823 -0.023 0.000 0.724 668 V HN 0.307 nan 8.190 nan 0.000 0.467 669 G N 1.386 110.160 108.800 -0.043 0.000 2.770 669 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.686 669 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.686 669 G C 0.006 174.857 174.900 -0.083 0.000 1.180 669 G CA 0.026 45.090 45.100 -0.059 0.000 0.767 669 G HN 0.741 nan 8.290 nan 0.000 0.646 670 E N 0.352 120.506 120.200 -0.077 0.000 2.265 670 E HA -0.142 4.207 4.350 -0.001 0.000 0.196 670 E C 1.862 178.376 176.600 -0.143 0.000 0.996 670 E CA 1.486 57.830 56.400 -0.092 0.000 0.832 670 E CB -0.037 29.625 29.700 -0.063 0.000 0.756 670 E HN 0.675 nan 8.360 nan 0.000 0.491 671 E N 1.294 121.410 120.200 -0.140 0.000 2.347 671 E HA -0.115 4.234 4.350 -0.001 0.000 0.196 671 E C 0.747 177.189 176.600 -0.263 0.000 1.008 671 E CA 0.569 56.864 56.400 -0.174 0.000 0.852 671 E CB -0.239 29.389 29.700 -0.121 0.000 0.783 671 E HN 0.308 nan 8.360 nan 0.000 0.505 672 N N 0.549 119.098 118.700 -0.253 0.000 2.238 672 N HA 0.273 5.013 4.740 -0.001 0.000 0.222 672 N C -0.101 175.209 175.510 -0.333 0.000 1.133 672 N CA -0.001 52.878 53.050 -0.285 0.000 0.854 672 N CB 1.470 39.843 38.487 -0.189 0.000 1.041 672 N HN 0.256 nan 8.380 nan 0.000 0.510 673 I N -0.894 119.433 120.570 -0.405 0.000 3.004 673 I HA 0.369 4.539 4.170 -0.001 0.000 0.305 673 I C -1.451 174.386 176.117 -0.466 0.000 1.312 673 I CA -0.891 60.211 61.300 -0.329 0.000 0.992 673 I CB 1.784 39.706 38.000 -0.131 0.000 1.282 673 I HN -0.277 nan 8.210 nan 0.000 0.449 674 F N 7.190 127.142 119.950 0.004 0.000 2.318 674 F HA 0.426 4.952 4.527 -0.001 0.000 0.356 674 F C -0.004 175.873 175.800 0.128 0.000 1.109 674 F CA -0.558 57.473 58.000 0.052 0.000 1.234 674 F CB 0.262 39.289 39.000 0.044 0.000 1.545 674 F HN 0.037 nan 8.300 nan 0.000 0.534 675 I N 3.579 124.262 120.570 0.189 0.000 2.519 675 I HA 0.300 4.470 4.170 -0.001 0.000 0.287 675 I C -0.056 176.198 176.117 0.228 0.000 1.047 675 I CA -0.540 60.851 61.300 0.153 0.000 1.381 675 I CB 0.564 38.582 38.000 0.030 0.000 1.417 675 I HN 0.378 nan 8.210 nan 0.000 0.540 676 F N 2.729 122.703 119.950 0.041 0.000 2.662 676 F HA 0.847 5.374 4.527 0.001 0.000 0.312 676 F C -0.030 175.759 175.800 -0.018 0.000 1.113 676 F CA -0.391 57.622 58.000 0.021 0.000 0.951 676 F CB 1.270 40.303 39.000 0.055 0.000 1.344 676 F HN 0.811 nan 8.300 nan 0.000 0.462 677 G N 0.754 109.532 108.800 -0.038 0.000 2.728 677 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.294 677 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.294 677 G C -1.335 173.407 174.900 -0.263 0.000 1.342 677 G CA -0.618 44.369 45.100 -0.189 0.000 0.866 677 G HN 1.196 nan 8.290 nan 0.000 0.534 678 H N 0.791 119.802 119.070 -0.098 0.000 2.815 678 H HA 0.387 4.943 4.556 -0.001 0.000 0.350 678 H C 1.473 176.733 175.328 -0.115 0.000 1.080 678 H CA 0.885 56.879 56.048 -0.089 0.000 1.433 678 H CB 0.629 30.322 29.762 -0.115 0.000 1.432 678 H HN 0.919 nan 8.280 nan 0.000 0.592 679 T N -1.429 113.142 114.554 0.029 0.000 2.754 679 T HA 0.081 4.431 4.350 -0.001 0.000 0.286 679 T C 1.797 176.486 174.700 -0.019 0.000 0.997 679 T CA -0.733 61.356 62.100 -0.017 0.000 0.982 679 T CB 0.515 69.375 68.868 -0.014 0.000 1.027 679 T HN 0.268 nan 8.240 nan 0.000 0.529 680 V N 1.511 121.403 119.914 -0.037 0.000 2.287 680 V HA -0.161 3.959 4.120 -0.001 0.000 0.248 680 V C 2.796 178.864 176.094 -0.044 0.000 1.053 680 V CA 2.314 64.587 62.300 -0.045 0.000 1.027 680 V CB -1.186 30.611 31.823 -0.044 0.000 0.646 680 V HN 0.895 nan 8.190 nan 0.000 0.447 681 E N 0.025 120.207 120.200 -0.031 0.000 2.110 681 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 681 E C 2.288 178.874 176.600 -0.024 0.000 0.988 681 E CA 1.259 57.643 56.400 -0.027 0.000 0.804 681 E CB -0.249 29.441 29.700 -0.016 0.000 0.745 681 E HN 0.711 nan 8.360 nan 0.000 0.458 682 Q N -0.106 119.689 119.800 -0.008 0.000 2.187 682 Q HA -0.013 4.326 4.340 -0.001 0.000 0.199 682 Q C 2.230 178.170 176.000 -0.099 0.000 0.957 682 Q CA 0.826 56.629 55.803 -0.001 0.000 0.857 682 Q CB 0.109 28.913 28.738 0.110 0.000 0.929 682 Q HN 0.134 nan 8.270 nan 0.000 0.453 683 V N 1.724 121.574 119.914 -0.106 0.000 2.287 683 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 683 V C 2.051 178.046 176.094 -0.166 0.000 1.053 683 V CA 1.979 64.165 62.300 -0.189 0.000 1.027 683 V CB -0.405 31.332 31.823 -0.143 0.000 0.646 683 V HN 0.287 nan 8.190 nan 0.000 0.447 684 K N 0.029 120.365 120.400 -0.106 0.000 2.057 684 K HA -0.133 4.186 4.320 -0.001 0.000 0.207 684 K C 2.295 178.853 176.600 -0.070 0.000 1.049 684 K CA 1.509 57.745 56.287 -0.084 0.000 0.931 684 K CB -0.471 31.991 32.500 -0.064 0.000 0.714 684 K HN 0.486 nan 8.250 nan 0.000 0.440 685 A N 1.363 124.148 122.820 -0.059 0.000 1.858 685 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 685 A C 2.163 179.727 177.584 -0.034 0.000 1.190 685 A CA 1.442 53.459 52.037 -0.034 0.000 0.617 685 A CB -0.709 18.283 19.000 -0.014 0.000 0.827 685 A HN 0.197 nan 8.150 nan 0.000 0.443 686 I N -0.347 120.175 120.570 -0.080 0.000 2.248 686 I HA -0.294 3.875 4.170 -0.001 0.000 0.248 686 I C 2.393 178.492 176.117 -0.029 0.000 1.107 686 I CA 1.198 62.454 61.300 -0.072 0.000 1.373 686 I CB -0.196 37.640 38.000 -0.272 0.000 1.055 686 I HN 0.327 nan 8.210 nan 0.000 0.418 687 L N -0.199 120.975 121.223 -0.081 0.000 2.068 687 L HA -0.116 4.223 4.340 -0.001 0.000 0.204 687 L C 2.803 179.677 176.870 0.008 0.000 1.076 687 L CA 1.147 55.971 54.840 -0.026 0.000 0.753 687 L CB -0.682 41.331 42.059 -0.076 0.000 0.910 687 L HN 0.196 nan 8.230 nan 0.000 0.439 688 A N -0.131 122.682 122.820 -0.012 0.000 1.940 688 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 688 A C 2.373 179.967 177.584 0.016 0.000 1.176 688 A CA 1.807 53.842 52.037 -0.003 0.000 0.631 688 A CB -0.430 18.562 19.000 -0.013 0.000 0.814 688 A HN 0.279 nan 8.150 nan 0.000 0.446 689 K N -0.716 119.701 120.400 0.029 0.000 2.366 689 K HA 0.121 4.440 4.320 -0.001 0.000 0.198 689 K C 0.343 176.981 176.600 0.063 0.000 1.044 689 K CA 0.868 57.181 56.287 0.044 0.000 0.973 689 K CB -0.282 32.250 32.500 0.053 0.000 0.767 689 K HN 0.885 nan 8.250 nan 0.000 0.475 690 G N 1.649 110.498 108.800 0.081 0.000 2.826 690 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.623 690 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.623 690 G C -1.199 173.806 174.900 0.174 0.000 1.127 690 G CA -0.427 44.733 45.100 0.099 0.000 1.165 690 G HN 0.269 nan 8.290 nan 0.000 0.504 691 Y N 2.400 122.721 120.300 0.035 0.000 2.359 691 Y HA 0.555 5.105 4.550 -0.001 0.000 0.334 691 Y C -0.039 175.913 175.900 0.086 0.000 1.058 691 Y CA -0.954 57.183 58.100 0.061 0.000 1.244 691 Y CB 1.683 40.133 38.460 -0.017 0.000 1.187 691 Y HN 0.444 nan 8.280 nan 0.000 0.510 692 D N 9.028 129.324 120.400 -0.173 0.000 2.446 692 D HA 0.317 4.956 4.640 -0.001 0.000 0.251 692 D C -2.102 174.002 176.300 -0.326 0.000 1.137 692 D CA -2.484 51.370 54.000 -0.243 0.000 0.890 692 D CB 1.553 42.337 40.800 -0.027 0.000 1.071 692 D HN 0.328 nan 8.370 nan 0.000 0.528 693 P HA -0.121 nan 4.420 nan 0.000 0.219 693 P C 1.434 178.723 177.300 -0.019 0.000 1.150 693 P CA 0.405 63.262 63.100 -0.405 0.000 0.814 693 P CB 0.541 32.021 31.700 -0.367 0.000 0.787 694 V N 0.790 120.689 119.914 -0.024 0.000 2.427 694 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 694 V C 2.774 178.905 176.094 0.061 0.000 1.051 694 V CA 1.639 63.956 62.300 0.027 0.000 1.048 694 V CB -1.150 30.680 31.823 0.012 0.000 0.666 694 V HN 0.124 nan 8.190 nan 0.000 0.456 695 K N -1.068 119.371 120.400 0.065 0.000 2.057 695 K HA -0.222 4.098 4.320 -0.001 0.000 0.207 695 K C 2.016 178.659 176.600 0.072 0.000 1.049 695 K CA 1.971 58.283 56.287 0.043 0.000 0.931 695 K CB -0.235 32.267 32.500 0.005 0.000 0.714 695 K HN 0.511 nan 8.250 nan 0.000 0.440 696 W N 1.254 122.567 121.300 0.022 0.000 2.338 696 W HA -0.140 4.518 4.660 -0.004 0.000 0.304 696 W C 2.459 179.014 176.519 0.059 0.000 1.212 696 W CA 1.602 58.997 57.345 0.083 0.000 1.264 696 W CB -0.266 29.290 29.460 0.160 0.000 1.142 696 W HN 0.153 nan 8.180 nan 0.000 0.512 697 R N 0.775 121.428 120.500 0.255 0.000 2.073 697 R HA -0.184 4.156 4.340 -0.001 0.000 0.234 697 R C 2.046 178.388 176.300 0.071 0.000 1.134 697 R CA 1.515 57.687 56.100 0.120 0.000 0.952 697 R CB -0.344 29.994 30.300 0.062 0.000 0.850 697 R HN -0.099 nan 8.270 nan 0.000 0.433 698 K N 0.940 121.375 120.400 0.057 0.000 2.147 698 K HA -0.119 4.200 4.320 -0.001 0.000 0.205 698 K C 1.924 178.539 176.600 0.025 0.000 1.049 698 K CA 1.417 57.721 56.287 0.029 0.000 0.936 698 K CB -0.090 32.419 32.500 0.016 0.000 0.722 698 K HN 0.192 nan 8.250 nan 0.000 0.446 699 K N 0.728 121.144 120.400 0.027 0.000 2.432 699 K HA -0.033 4.287 4.320 -0.001 0.000 0.196 699 K C 0.318 176.949 176.600 0.051 0.000 1.038 699 K CA 0.327 56.621 56.287 0.011 0.000 0.986 699 K CB 0.227 32.698 32.500 -0.048 0.000 0.782 699 K HN 0.046 nan 8.250 nan 0.000 0.485 700 D N 0.078 120.529 120.400 0.085 0.000 2.344 700 D HA 0.087 4.726 4.640 -0.001 0.000 0.239 700 D C 0.259 176.600 176.300 0.068 0.000 1.064 700 D CA -0.137 53.930 54.000 0.113 0.000 0.829 700 D CB 1.110 42.029 40.800 0.198 0.000 1.129 700 D HN -0.226 nan 8.370 nan 0.000 0.506 701 K N 2.378 122.819 120.400 0.067 0.000 2.167 701 K HA 0.002 4.321 4.320 -0.001 0.000 0.203 701 K C 1.796 178.420 176.600 0.040 0.000 1.052 701 K CA 0.520 56.832 56.287 0.042 0.000 0.956 701 K CB -0.108 32.415 32.500 0.037 0.000 0.735 701 K HN 0.278 nan 8.250 nan 0.000 0.451 702 V N 1.889 121.851 119.914 0.081 0.000 2.270 702 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 702 V C 2.378 178.469 176.094 -0.005 0.000 1.043 702 V CA 1.202 63.558 62.300 0.092 0.000 1.014 702 V CB -0.515 31.429 31.823 0.201 0.000 0.645 702 V HN 0.113 nan 8.190 nan 0.000 0.447 703 L N 1.081 122.238 121.223 -0.111 0.000 1.997 703 L HA -0.269 4.070 4.340 -0.001 0.000 0.216 703 L C 2.174 178.904 176.870 -0.234 0.000 1.074 703 L CA 2.794 57.339 54.840 -0.491 0.000 0.763 703 L CB -1.089 40.671 42.059 -0.498 0.000 0.890 703 L HN 0.516 nan 8.230 nan 0.000 0.434 704 D N -1.024 119.316 120.400 -0.099 0.000 2.144 704 D HA -0.142 4.497 4.640 -0.001 0.000 0.199 704 D C 2.020 178.296 176.300 -0.041 0.000 0.984 704 D CA 1.400 55.370 54.000 -0.051 0.000 0.834 704 D CB -0.028 40.763 40.800 -0.014 0.000 0.955 704 D HN 0.469 nan 8.370 nan 0.000 0.465 705 A N 0.120 122.921 122.820 -0.032 0.000 1.929 705 A HA -0.046 4.273 4.320 -0.001 0.000 0.216 705 A C 2.519 180.092 177.584 -0.018 0.000 1.176 705 A CA 1.912 53.937 52.037 -0.021 0.000 0.628 705 A CB -0.937 18.056 19.000 -0.012 0.000 0.816 705 A HN 0.306 nan 8.150 nan 0.000 0.444 706 V N -1.901 117.995 119.914 -0.030 0.000 2.427 706 V HA -0.169 3.950 4.120 -0.001 0.000 0.248 706 V C 2.239 178.327 176.094 -0.010 0.000 1.051 706 V CA 1.853 64.148 62.300 -0.009 0.000 1.048 706 V CB -0.991 30.824 31.823 -0.015 0.000 0.666 706 V HN 0.422 nan 8.190 nan 0.000 0.456 707 L N -0.325 120.872 121.223 -0.045 0.000 2.093 707 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 707 L C 2.846 179.720 176.870 0.007 0.000 1.085 707 L CA 1.857 56.684 54.840 -0.022 0.000 0.755 707 L CB -0.539 41.498 42.059 -0.037 0.000 0.904 707 L HN 0.268 nan 8.230 nan 0.000 0.435 708 K N -0.135 120.264 120.400 -0.002 0.000 2.148 708 K HA -0.176 4.144 4.320 -0.001 0.000 0.204 708 K C 1.976 178.580 176.600 0.007 0.000 1.050 708 K CA 1.082 57.369 56.287 -0.000 0.000 0.942 708 K CB -0.017 32.476 32.500 -0.011 0.000 0.724 708 K HN 0.311 nan 8.250 nan 0.000 0.446 709 E N 0.661 120.876 120.200 0.024 0.000 2.077 709 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 709 E C 1.888 178.555 176.600 0.111 0.000 0.989 709 E CA 0.903 57.328 56.400 0.042 0.000 0.800 709 E CB 0.031 29.802 29.700 0.118 0.000 0.746 709 E HN 0.232 nan 8.360 nan 0.000 0.452 710 L N 0.516 121.830 121.223 0.152 0.000 2.156 710 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 710 L C 1.990 178.984 176.870 0.207 0.000 1.095 710 L CA 1.007 55.978 54.840 0.218 0.000 0.770 710 L CB -0.111 42.007 42.059 0.098 0.000 0.914 710 L HN 0.073 nan 8.230 nan 0.000 0.439 711 E N -0.545 119.708 120.200 0.089 0.000 2.285 711 E HA -0.120 4.229 4.350 -0.001 0.000 0.194 711 E C 2.109 178.694 176.600 -0.025 0.000 0.997 711 E CA 1.058 57.474 56.400 0.028 0.000 0.845 711 E CB 0.085 29.790 29.700 0.008 0.000 0.782 711 E HN 0.439 nan 8.360 nan 0.000 0.491 712 S N -0.778 114.912 115.700 -0.018 0.000 2.527 712 S HA 0.131 4.601 4.470 -0.001 0.000 0.222 712 S C 1.709 176.260 174.600 -0.082 0.000 0.985 712 S CA 0.379 58.543 58.200 -0.059 0.000 0.921 712 S CB 0.354 63.515 63.200 -0.065 0.000 0.772 712 S HN 0.340 nan 8.310 nan 0.000 0.529 713 G N 1.834 110.596 108.800 -0.063 0.000 2.176 713 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.253 713 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.253 713 G C 0.702 175.549 174.900 -0.087 0.000 0.979 713 G CA 0.536 45.587 45.100 -0.080 0.000 0.641 713 G HN 0.604 nan 8.290 nan 0.000 0.530 714 K N -0.636 119.671 120.400 -0.155 0.000 2.152 714 K HA -0.062 4.258 4.320 -0.001 0.000 0.206 714 K C 1.620 177.992 176.600 -0.381 0.000 1.048 714 K CA 1.858 57.942 56.287 -0.338 0.000 0.933 714 K CB -0.185 31.963 32.500 -0.588 0.000 0.721 714 K HN 0.520 nan 8.250 nan 0.000 0.447 715 Y N -0.467 119.874 120.300 0.067 0.000 2.467 715 Y HA 0.163 4.712 4.550 -0.001 0.000 0.250 715 Y C 0.708 176.647 175.900 0.064 0.000 1.155 715 Y CA -0.092 58.047 58.100 0.066 0.000 1.249 715 Y CB 0.978 39.461 38.460 0.039 0.000 1.146 715 Y HN 0.083 nan 8.280 nan 0.000 0.524 716 S N -1.866 113.894 115.700 0.101 0.000 2.835 716 S HA 0.195 4.665 4.470 -0.001 0.000 0.248 716 S C -0.669 173.922 174.600 -0.014 0.000 1.070 716 S CA -0.662 57.536 58.200 -0.003 0.000 1.090 716 S CB -0.501 62.558 63.200 -0.236 0.000 0.978 716 S HN 0.197 nan 8.310 nan 0.000 0.510 717 D N 1.723 122.124 120.400 0.001 0.000 2.706 717 D HA -0.132 4.507 4.640 -0.001 0.000 0.230 717 D C 1.280 177.563 176.300 -0.029 0.000 1.184 717 D CA 1.958 55.953 54.000 -0.009 0.000 0.628 717 D CB -1.643 39.163 40.800 0.009 0.000 1.019 717 D HN 1.140 nan 8.370 nan 0.000 0.415 718 G N -0.339 108.431 108.800 -0.050 0.000 2.217 718 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.246 718 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.246 718 G C -0.043 174.807 174.900 -0.084 0.000 0.990 718 G CA 0.104 45.166 45.100 -0.063 0.000 0.627 718 G HN 0.617 nan 8.290 nan 0.000 0.522 719 D N 1.001 121.346 120.400 -0.092 0.000 2.374 719 D HA 0.352 4.992 4.640 -0.001 0.000 0.240 719 D C 1.480 177.663 176.300 -0.195 0.000 1.229 719 D CA -0.232 53.699 54.000 -0.115 0.000 0.895 719 D CB 0.399 41.150 40.800 -0.082 0.000 1.046 719 D HN 0.360 nan 8.370 nan 0.000 0.498 720 K N 1.992 122.230 120.400 -0.270 0.000 2.283 720 K HA -0.103 4.217 4.320 -0.001 0.000 0.202 720 K C 0.731 177.055 176.600 -0.460 0.000 1.048 720 K CA 0.693 56.755 56.287 -0.375 0.000 0.948 720 K CB 0.197 32.422 32.500 -0.458 0.000 0.742 720 K HN 0.546 nan 8.250 nan 0.000 0.458 721 H N -0.778 118.231 119.070 -0.102 0.000 2.517 721 H HA 0.215 4.771 4.556 -0.001 0.000 0.282 721 H C 1.564 176.792 175.328 -0.167 0.000 1.023 721 H CA 0.239 56.226 56.048 -0.101 0.000 1.169 721 H CB 0.327 30.057 29.762 -0.053 0.000 1.454 721 H HN 0.165 nan 8.280 nan 0.000 0.556 722 A N 0.754 123.397 122.820 -0.295 0.000 1.908 722 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 722 A C 0.923 178.219 177.584 -0.479 0.000 1.181 722 A CA 1.285 53.010 52.037 -0.520 0.000 0.627 722 A CB -0.528 17.770 19.000 -1.170 0.000 0.818 722 A HN 0.190 nan 8.150 nan 0.000 0.445 723 F N -0.390 119.608 119.950 0.080 0.000 2.791 723 F HA 0.255 4.782 4.527 -0.001 0.000 0.308 723 F C 0.921 176.729 175.800 0.013 0.000 1.138 723 F CA -1.201 56.829 58.000 0.049 0.000 1.294 723 F CB -0.089 38.895 39.000 -0.027 0.000 0.975 723 F HN 0.046 nan 8.300 nan 0.000 0.512 724 D N 0.622 121.075 120.400 0.089 0.000 2.123 724 D HA -0.185 4.454 4.640 -0.001 0.000 0.196 724 D C 2.007 178.300 176.300 -0.011 0.000 0.992 724 D CA 1.534 55.499 54.000 -0.058 0.000 0.833 724 D CB 0.055 40.853 40.800 -0.003 0.000 0.954 724 D HN 0.393 nan 8.370 nan 0.000 0.455 725 Q N -0.338 119.533 119.800 0.119 0.000 2.061 725 Q HA -0.147 4.193 4.340 -0.001 0.000 0.204 725 Q C 2.262 178.353 176.000 0.151 0.000 0.984 725 Q CA 1.047 56.948 55.803 0.163 0.000 0.846 725 Q CB -0.138 28.697 28.738 0.161 0.000 0.902 725 Q HN 0.325 nan 8.270 nan 0.000 0.421 726 M N 0.128 119.809 119.600 0.135 0.000 2.086 726 M HA -0.202 4.277 4.480 -0.001 0.000 0.261 726 M C 1.557 177.936 176.300 0.132 0.000 1.067 726 M CA 1.274 56.639 55.300 0.108 0.000 1.116 726 M CB 0.085 32.738 32.600 0.087 0.000 1.348 726 M HN 0.200 nan 8.290 nan 0.000 0.407 727 L N -0.391 120.886 121.223 0.091 0.000 2.027 727 L HA -0.209 4.130 4.340 -0.001 0.000 0.206 727 L C 2.575 179.499 176.870 0.090 0.000 1.074 727 L CA 1.809 56.682 54.840 0.055 0.000 0.745 727 L CB -2.131 39.913 42.059 -0.025 0.000 0.898 727 L HN 0.372 nan 8.230 nan 0.000 0.433 728 H N -0.580 118.560 119.070 0.116 0.000 2.387 728 H HA -0.068 4.487 4.556 -0.001 0.000 0.299 728 H C 2.443 177.833 175.328 0.103 0.000 1.090 728 H CA 1.505 57.610 56.048 0.096 0.000 1.332 728 H CB -0.258 29.555 29.762 0.085 0.000 1.386 728 H HN 0.408 nan 8.280 nan 0.000 0.516 729 S N 0.856 116.705 115.700 0.248 0.000 2.399 729 S HA -0.098 4.371 4.470 -0.001 0.000 0.231 729 S C 2.019 176.751 174.600 0.220 0.000 1.022 729 S CA 1.316 59.650 58.200 0.223 0.000 0.983 729 S CB -0.677 62.661 63.200 0.230 0.000 0.803 729 S HN 0.590 nan 8.310 nan 0.000 0.480 730 I N -1.335 119.360 120.570 0.208 0.000 3.883 730 I HA 0.479 4.648 4.170 -0.001 0.000 0.326 730 I C 1.125 177.311 176.117 0.114 0.000 1.283 730 I CA -0.273 61.132 61.300 0.176 0.000 1.161 730 I CB -0.473 37.629 38.000 0.170 0.000 1.012 730 I HN 0.278 nan 8.210 nan 0.000 0.421 731 G N 0.913 109.785 108.800 0.120 0.000 2.606 731 G HA2 0.195 4.154 3.960 -0.001 0.000 0.262 731 G HA3 0.195 4.154 3.960 -0.001 0.000 0.262 731 G C 0.518 175.460 174.900 0.071 0.000 1.394 731 G CA -0.297 44.859 45.100 0.095 0.000 1.044 731 G HN -0.137 nan 8.290 nan 0.000 0.553 732 K N -0.450 119.987 120.400 0.060 0.000 2.063 732 K HA -0.109 4.210 4.320 -0.001 0.000 0.208 732 K C 2.779 179.395 176.600 0.025 0.000 1.048 732 K CA 1.485 57.788 56.287 0.026 0.000 0.928 732 K CB -0.600 31.916 32.500 0.026 0.000 0.713 732 K HN 0.471 nan 8.250 nan 0.000 0.442 733 Q N -1.214 118.610 119.800 0.040 0.000 2.062 733 Q HA -0.126 4.214 4.340 -0.001 0.000 0.209 733 Q C 2.085 178.101 176.000 0.025 0.000 0.996 733 Q CA 2.153 57.950 55.803 -0.011 0.000 0.859 733 Q CB -0.778 27.897 28.738 -0.105 0.000 0.920 733 Q HN 0.478 nan 8.270 nan 0.000 0.415 734 G N -2.268 106.579 108.800 0.078 0.000 2.719 734 G HA2 0.325 4.284 3.960 -0.001 0.000 0.211 734 G HA3 0.325 4.284 3.960 -0.001 0.000 0.211 734 G C 0.908 175.853 174.900 0.075 0.000 1.140 734 G CA 0.263 45.418 45.100 0.091 0.000 0.790 734 G HN 0.613 nan 8.290 nan 0.000 0.529 735 G N 0.383 109.217 108.800 0.056 0.000 2.159 735 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.256 735 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.256 735 G C 0.293 175.242 174.900 0.082 0.000 0.977 735 G CA 0.835 45.953 45.100 0.030 0.000 0.652 735 G HN 1.047 nan 8.290 nan 0.000 0.531 736 D N -0.760 119.718 120.400 0.130 0.000 2.735 736 D HA -0.150 4.489 4.640 -0.001 0.000 0.235 736 D C -0.018 176.413 176.300 0.219 0.000 1.175 736 D CA 1.158 55.286 54.000 0.212 0.000 0.683 736 D CB -0.297 40.638 40.800 0.225 0.000 1.008 736 D HN 0.409 nan 8.370 nan 0.000 0.416 737 P HA -0.164 nan 4.420 nan 0.000 0.223 737 P C 0.832 177.938 177.300 -0.325 0.000 1.144 737 P CA 1.174 64.183 63.100 -0.151 0.000 0.783 737 P CB -0.130 31.384 31.700 -0.310 0.000 0.771 738 Y N -0.911 119.445 120.300 0.094 0.000 2.555 738 Y HA 0.311 4.861 4.550 0.000 0.000 0.259 738 Y C 1.336 177.222 175.900 -0.024 0.000 1.179 738 Y CA -0.526 57.606 58.100 0.053 0.000 1.230 738 Y CB -0.168 38.378 38.460 0.144 0.000 1.146 738 Y HN -0.296 nan 8.280 nan 0.000 0.526 739 L N -0.624 120.623 121.223 0.040 0.000 3.634 739 L HA -0.333 4.007 4.340 -0.001 0.000 0.423 739 L C 1.032 177.885 176.870 -0.028 0.000 1.253 739 L CA -0.159 54.607 54.840 -0.122 0.000 0.885 739 L CB -2.226 39.602 42.059 -0.385 0.000 1.789 739 L HN 0.132 nan 8.230 nan 0.000 0.904 740 V N -0.519 119.416 119.914 0.034 0.000 2.324 740 V HA -0.333 3.786 4.120 -0.001 0.000 0.250 740 V C 2.460 178.600 176.094 0.077 0.000 1.060 740 V CA 2.642 64.936 62.300 -0.010 0.000 1.042 740 V CB -0.282 31.469 31.823 -0.120 0.000 0.650 740 V HN 0.539 nan 8.190 nan 0.000 0.450 741 M N -0.308 119.348 119.600 0.093 0.000 2.156 741 M HA -0.014 4.465 4.480 -0.001 0.000 0.264 741 M C 2.457 178.796 176.300 0.064 0.000 1.067 741 M CA 1.997 57.379 55.300 0.137 0.000 1.131 741 M CB -1.336 31.359 32.600 0.158 0.000 1.368 741 M HN 0.383 nan 8.290 nan 0.000 0.416 742 A N 0.333 122.985 122.820 -0.279 0.000 1.972 742 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 742 A C 1.704 179.220 177.584 -0.112 0.000 1.169 742 A CA 1.862 53.417 52.037 -0.803 0.000 0.635 742 A CB -0.494 17.885 19.000 -1.035 0.000 0.810 742 A HN 0.406 nan 8.150 nan 0.000 0.446 743 D N -2.365 118.073 120.400 0.062 0.000 2.379 743 D HA 0.122 4.762 4.640 -0.001 0.000 0.208 743 D C 1.206 177.662 176.300 0.260 0.000 1.065 743 D CA -0.109 53.999 54.000 0.181 0.000 0.848 743 D CB -0.089 40.818 40.800 0.179 0.000 0.949 743 D HN 0.432 nan 8.370 nan 0.000 0.509 744 F N 2.251 122.285 119.950 0.140 0.000 2.075 744 F HA -0.194 4.332 4.527 -0.002 0.000 0.297 744 F C 2.137 178.043 175.800 0.176 0.000 1.113 744 F CA 1.812 59.912 58.000 0.167 0.000 1.218 744 F CB -0.053 39.036 39.000 0.149 0.000 0.984 744 F HN -0.040 nan 8.300 nan 0.000 0.472 745 A N 0.462 123.417 122.820 0.226 0.000 1.933 745 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 745 A C 2.372 179.937 177.584 -0.031 0.000 1.175 745 A CA 1.734 53.818 52.037 0.080 0.000 0.628 745 A CB -1.591 17.561 19.000 0.254 0.000 0.814 745 A HN 0.546 nan 8.150 nan 0.000 0.444 746 A N -1.783 121.077 122.820 0.067 0.000 1.972 746 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 746 A C 2.116 179.666 177.584 -0.057 0.000 1.169 746 A CA 1.662 53.752 52.037 0.088 0.000 0.635 746 A CB -0.645 18.485 19.000 0.218 0.000 0.810 746 A HN 0.698 nan 8.150 nan 0.000 0.446 747 Y N 0.468 120.507 120.300 -0.433 0.000 2.243 747 Y HA -0.068 4.482 4.550 -0.001 0.000 0.293 747 Y C 2.292 177.710 175.900 -0.803 0.000 1.124 747 Y CA 1.397 58.912 58.100 -0.976 0.000 1.159 747 Y CB -0.411 37.562 38.460 -0.812 0.000 1.008 747 Y HN 0.049 nan 8.280 nan 0.000 0.527 748 V N 0.660 120.110 119.914 -0.773 0.000 2.594 748 V HA -0.226 3.893 4.120 -0.001 0.000 0.253 748 V C 2.248 178.066 176.094 -0.460 0.000 1.069 748 V CA 2.163 64.029 62.300 -0.723 0.000 1.082 748 V CB -0.608 30.891 31.823 -0.540 0.000 0.680 748 V HN 0.321 nan 8.190 nan 0.000 0.469 749 E N 0.876 120.880 120.200 -0.326 0.000 2.060 749 E HA -0.009 4.340 4.350 -0.001 0.000 0.189 749 E C 2.182 178.686 176.600 -0.160 0.000 0.974 749 E CA 1.341 57.640 56.400 -0.170 0.000 0.808 749 E CB -0.567 29.086 29.700 -0.078 0.000 0.768 749 E HN 0.383 nan 8.360 nan 0.000 0.453 750 A N 1.055 123.762 122.820 -0.187 0.000 1.915 750 A HA -0.282 4.037 4.320 -0.001 0.000 0.220 750 A C 2.175 179.568 177.584 -0.318 0.000 1.198 750 A CA 2.051 53.998 52.037 -0.150 0.000 0.647 750 A CB -0.757 18.133 19.000 -0.183 0.000 0.825 750 A HN 0.315 nan 8.150 nan 0.000 0.456 751 Q N -0.789 118.697 119.800 -0.523 0.000 2.297 751 Q HA -0.075 4.265 4.340 -0.001 0.000 0.204 751 Q C 1.919 177.731 176.000 -0.312 0.000 0.962 751 Q CA 1.363 56.832 55.803 -0.558 0.000 0.879 751 Q CB -0.146 28.048 28.738 -0.907 0.000 0.947 751 Q HN 0.750 nan 8.270 nan 0.000 0.462 752 K N 0.380 120.649 120.400 -0.219 0.000 2.103 752 K HA -0.110 4.209 4.320 -0.001 0.000 0.204 752 K C 2.066 178.632 176.600 -0.056 0.000 1.052 752 K CA 0.882 57.108 56.287 -0.103 0.000 0.945 752 K CB 0.154 32.614 32.500 -0.068 0.000 0.722 752 K HN 0.207 nan 8.250 nan 0.000 0.443 753 Q N 0.053 119.829 119.800 -0.040 0.000 2.230 753 Q HA -0.090 4.249 4.340 -0.001 0.000 0.202 753 Q C 1.989 178.053 176.000 0.107 0.000 0.963 753 Q CA 0.852 56.721 55.803 0.110 0.000 0.866 753 Q CB 0.030 28.933 28.738 0.274 0.000 0.931 753 Q HN 0.055 nan 8.270 nan 0.000 0.452 754 V N 1.808 121.554 119.914 -0.281 0.000 2.231 754 V HA -0.337 3.782 4.120 -0.001 0.000 0.248 754 V C 1.383 177.507 176.094 0.049 0.000 1.054 754 V CA 2.386 64.495 62.300 -0.319 0.000 1.015 754 V CB -0.611 30.909 31.823 -0.504 0.000 0.638 754 V HN 0.371 nan 8.190 nan 0.000 0.444 755 D N -0.285 120.101 120.400 -0.023 0.000 2.133 755 D HA -0.185 4.454 4.640 -0.001 0.000 0.192 755 D C 2.039 178.404 176.300 0.108 0.000 1.001 755 D CA 1.614 55.626 54.000 0.021 0.000 0.844 755 D CB -0.500 40.297 40.800 -0.005 0.000 0.944 755 D HN 0.293 nan 8.370 nan 0.000 0.447 756 V N 0.253 120.239 119.914 0.121 0.000 2.343 756 V HA -0.203 3.916 4.120 -0.001 0.000 0.247 756 V C 2.267 178.482 176.094 0.202 0.000 1.051 756 V CA 1.180 63.562 62.300 0.136 0.000 1.036 756 V CB -0.385 31.513 31.823 0.124 0.000 0.654 756 V HN 0.175 nan 8.190 nan 0.000 0.451 757 L N -1.179 120.246 121.223 0.338 0.000 2.109 757 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 757 L C 2.224 179.399 176.870 0.508 0.000 1.086 757 L CA 1.830 56.949 54.840 0.464 0.000 0.760 757 L CB -0.765 41.698 42.059 0.675 0.000 0.910 757 L HN 0.425 nan 8.230 nan 0.000 0.437 758 Y N 0.084 120.527 120.300 0.238 0.000 2.274 758 Y HA -0.209 4.340 4.550 -0.001 0.000 0.290 758 Y C 2.572 178.375 175.900 -0.161 0.000 1.145 758 Y CA 1.524 59.462 58.100 -0.271 0.000 1.203 758 Y CB -0.028 38.045 38.460 -0.646 0.000 0.984 758 Y HN 0.113 nan 8.280 nan 0.000 0.533 759 R N -0.385 120.132 120.500 0.029 0.000 2.189 759 R HA -0.105 4.234 4.340 -0.001 0.000 0.223 759 R C 0.202 176.478 176.300 -0.040 0.000 1.092 759 R CA 0.996 57.085 56.100 -0.018 0.000 0.989 759 R CB -0.181 30.138 30.300 0.031 0.000 0.876 759 R HN 0.154 nan 8.270 nan 0.000 0.457 760 D N 0.768 121.175 120.400 0.012 0.000 2.522 760 D HA 0.005 4.644 4.640 -0.001 0.000 0.218 760 D C 0.726 177.035 176.300 0.015 0.000 1.149 760 D CA -0.025 53.989 54.000 0.022 0.000 0.981 760 D CB 0.814 41.654 40.800 0.068 0.000 1.041 760 D HN -0.090 nan 8.370 nan 0.000 0.518 761 Q N 1.591 121.348 119.800 -0.072 0.000 2.234 761 Q HA -0.182 4.157 4.340 -0.001 0.000 0.206 761 Q C 1.471 177.488 176.000 0.029 0.000 0.980 761 Q CA 0.906 56.655 55.803 -0.090 0.000 0.869 761 Q CB 0.135 28.768 28.738 -0.175 0.000 0.912 761 Q HN 0.690 nan 8.270 nan 0.000 0.436 762 E N -0.335 119.881 120.200 0.028 0.000 2.047 762 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 762 E C 1.770 178.404 176.600 0.057 0.000 0.987 762 E CA 1.012 57.436 56.400 0.040 0.000 0.799 762 E CB 0.050 29.764 29.700 0.023 0.000 0.752 762 E HN 0.291 nan 8.360 nan 0.000 0.449 763 A N 1.754 124.616 122.820 0.069 0.000 1.898 763 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 763 A C 2.022 179.662 177.584 0.093 0.000 1.181 763 A CA 1.158 53.233 52.037 0.063 0.000 0.620 763 A CB -1.193 17.849 19.000 0.070 0.000 0.819 763 A HN 0.706 nan 8.150 nan 0.000 0.442 764 W N 1.077 122.362 121.300 -0.025 0.000 2.332 764 W HA -0.181 4.479 4.660 -0.001 0.000 0.321 764 W C 1.933 178.451 176.519 -0.003 0.000 1.219 764 W CA 2.478 59.822 57.345 -0.002 0.000 1.277 764 W CB -0.860 28.561 29.460 -0.065 0.000 1.161 764 W HN 0.348 nan 8.180 nan 0.000 0.476 765 T N 0.840 115.534 114.554 0.234 0.000 2.746 765 T HA -0.186 4.164 4.350 -0.001 0.000 0.267 765 T C 1.917 176.570 174.700 -0.080 0.000 1.039 765 T CA 1.706 63.882 62.100 0.128 0.000 1.142 765 T CB -0.329 68.630 68.868 0.151 0.000 0.866 765 T HN 0.129 nan 8.240 nan 0.000 0.444 766 R N 0.670 121.135 120.500 -0.057 0.000 2.112 766 R HA -0.148 4.191 4.340 -0.001 0.000 0.242 766 R C 2.719 178.926 176.300 -0.154 0.000 1.137 766 R CA 1.676 57.718 56.100 -0.097 0.000 0.944 766 R CB -0.528 29.736 30.300 -0.059 0.000 0.857 766 R HN 0.385 nan 8.270 nan 0.000 0.435 767 A N 0.430 123.141 122.820 -0.183 0.000 1.933 767 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 767 A C 2.273 179.712 177.584 -0.241 0.000 1.175 767 A CA 1.744 53.640 52.037 -0.235 0.000 0.628 767 A CB -0.589 18.220 19.000 -0.318 0.000 0.814 767 A HN 0.482 nan 8.150 nan 0.000 0.444 768 A N -0.230 122.430 122.820 -0.266 0.000 1.897 768 A HA -0.004 4.316 4.320 -0.001 0.000 0.215 768 A C 2.070 179.570 177.584 -0.141 0.000 1.181 768 A CA 1.342 53.290 52.037 -0.149 0.000 0.620 768 A CB -0.548 18.453 19.000 0.002 0.000 0.821 768 A HN 0.465 nan 8.150 nan 0.000 0.443 769 I N -0.372 119.976 120.570 -0.370 0.000 2.361 769 I HA -0.244 3.925 4.170 -0.001 0.000 0.251 769 I C 2.206 178.226 176.117 -0.162 0.000 1.133 769 I CA 1.042 62.079 61.300 -0.439 0.000 1.413 769 I CB -0.123 37.617 38.000 -0.433 0.000 1.073 769 I HN 0.289 nan 8.210 nan 0.000 0.424 770 L N -0.168 120.971 121.223 -0.140 0.000 2.270 770 L HA -0.090 4.249 4.340 -0.001 0.000 0.210 770 L C 2.195 179.032 176.870 -0.055 0.000 1.104 770 L CA 0.690 55.474 54.840 -0.093 0.000 0.804 770 L CB -0.529 41.468 42.059 -0.103 0.000 0.937 770 L HN 0.323 nan 8.230 nan 0.000 0.450 771 N N -0.405 118.262 118.700 -0.054 0.000 2.084 771 N HA -0.159 4.580 4.740 -0.001 0.000 0.190 771 N C 1.653 177.185 175.510 0.037 0.000 1.030 771 N CA 1.960 55.002 53.050 -0.012 0.000 0.849 771 N CB -0.051 38.420 38.487 -0.026 0.000 1.012 771 N HN 0.251 nan 8.380 nan 0.000 0.423 772 T N 1.179 115.769 114.554 0.059 0.000 2.720 772 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 772 T C 1.951 176.679 174.700 0.047 0.000 1.037 772 T CA 1.441 63.590 62.100 0.083 0.000 1.144 772 T CB -0.220 68.746 68.868 0.162 0.000 0.864 772 T HN 0.344 nan 8.240 nan 0.000 0.444 773 A N 1.096 123.927 122.820 0.019 0.000 1.970 773 A HA 0.057 4.376 4.320 -0.001 0.000 0.216 773 A C 2.231 179.823 177.584 0.014 0.000 1.170 773 A CA 0.847 52.886 52.037 0.005 0.000 0.645 773 A CB -0.225 18.764 19.000 -0.019 0.000 0.816 773 A HN 0.389 nan 8.150 nan 0.000 0.447 774 R N -1.718 118.795 120.500 0.023 0.000 2.334 774 R HA 0.129 4.468 4.340 -0.001 0.000 0.216 774 R C 0.466 176.805 176.300 0.065 0.000 0.905 774 R CA 0.226 56.341 56.100 0.026 0.000 1.064 774 R CB -0.141 30.168 30.300 0.015 0.000 1.046 774 R HN 0.453 nan 8.270 nan 0.000 0.508 775 C N 0.398 119.770 119.300 0.119 0.000 2.614 775 C HA 0.200 4.659 4.460 -0.001 0.000 0.299 775 C C 2.132 177.218 174.990 0.159 0.000 1.293 775 C CA -0.499 58.673 59.018 0.257 0.000 1.713 775 C CB -0.650 27.302 27.740 0.354 0.000 1.890 775 C HN 0.645 nan 8.230 nan 0.000 0.602 776 G N 1.901 110.722 108.800 0.036 0.000 2.462 776 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 776 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 776 G C 1.552 176.411 174.900 -0.067 0.000 1.121 776 G CA 1.146 46.257 45.100 0.018 0.000 0.758 776 G HN 0.709 nan 8.290 nan 0.000 0.559 777 M N -1.650 117.792 119.600 -0.262 0.000 2.549 777 M HA 0.308 4.788 4.480 -0.001 0.000 0.260 777 M C 1.049 177.091 176.300 -0.429 0.000 1.076 777 M CA 1.104 56.162 55.300 -0.403 0.000 1.090 777 M CB -0.255 32.004 32.600 -0.569 0.000 1.418 777 M HN 0.000 nan 8.290 nan 0.000 0.486 778 F N 0.780 120.760 119.950 0.049 0.000 2.692 778 F HA 0.342 4.867 4.527 -0.002 0.000 0.303 778 F C 1.278 177.129 175.800 0.085 0.000 1.114 778 F CA -0.589 57.446 58.000 0.058 0.000 1.361 778 F CB -0.530 38.493 39.000 0.039 0.000 1.063 778 F HN 0.145 nan 8.300 nan 0.000 0.550 779 S N 0.108 115.914 115.700 0.177 0.000 2.549 779 S HA 0.095 4.564 4.470 -0.001 0.000 0.279 779 S C 1.543 176.248 174.600 0.176 0.000 1.321 779 S CA 0.075 58.377 58.200 0.170 0.000 1.054 779 S CB 0.751 64.021 63.200 0.117 0.000 0.899 779 S HN 0.360 nan 8.310 nan 0.000 0.497 780 S N 3.174 119.006 115.700 0.220 0.000 2.447 780 S HA -0.091 4.378 4.470 -0.001 0.000 0.233 780 S C 1.024 175.716 174.600 0.152 0.000 1.006 780 S CA 0.866 59.236 58.200 0.283 0.000 0.957 780 S CB -0.416 63.030 63.200 0.409 0.000 0.773 780 S HN 0.803 nan 8.310 nan 0.000 0.507 781 D N 1.940 122.400 120.400 0.100 0.000 2.123 781 D HA -0.122 4.517 4.640 -0.001 0.000 0.196 781 D C 2.088 178.400 176.300 0.018 0.000 0.992 781 D CA 0.938 54.966 54.000 0.046 0.000 0.833 781 D CB -0.383 40.437 40.800 0.034 0.000 0.954 781 D HN 0.314 nan 8.370 nan 0.000 0.455 782 R N 1.075 121.589 120.500 0.025 0.000 2.092 782 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 782 R C 2.016 178.300 176.300 -0.027 0.000 1.119 782 R CA 0.884 56.979 56.100 -0.008 0.000 0.970 782 R CB -0.311 29.977 30.300 -0.020 0.000 0.864 782 R HN 0.051 nan 8.270 nan 0.000 0.440 783 S N 1.210 116.915 115.700 0.008 0.000 2.356 783 S HA -0.096 4.373 4.470 -0.001 0.000 0.223 783 S C 1.975 176.505 174.600 -0.118 0.000 1.032 783 S CA 1.042 59.230 58.200 -0.019 0.000 1.005 783 S CB -0.169 63.120 63.200 0.148 0.000 0.867 783 S HN 0.184 nan 8.310 nan 0.000 0.449 784 I N 1.754 122.227 120.570 -0.162 0.000 2.208 784 I HA -0.101 4.068 4.170 -0.001 0.000 0.245 784 I C 2.399 178.477 176.117 -0.065 0.000 1.097 784 I CA 1.297 62.521 61.300 -0.127 0.000 1.363 784 I CB -1.223 36.753 38.000 -0.040 0.000 1.051 784 I HN 0.111 nan 8.210 nan 0.000 0.413 785 R N 1.163 121.633 120.500 -0.050 0.000 2.091 785 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 785 R C 1.889 178.130 176.300 -0.098 0.000 1.136 785 R CA 1.307 57.380 56.100 -0.045 0.000 0.959 785 R CB -0.919 29.359 30.300 -0.036 0.000 0.856 785 R HN 0.357 nan 8.270 nan 0.000 0.437 786 D N -1.081 119.228 120.400 -0.152 0.000 2.097 786 D HA -0.147 4.492 4.640 -0.001 0.000 0.195 786 D C 1.845 177.924 176.300 -0.369 0.000 0.989 786 D CA 1.193 55.054 54.000 -0.231 0.000 0.827 786 D CB -0.309 40.339 40.800 -0.253 0.000 0.966 786 D HN 0.229 nan 8.370 nan 0.000 0.456 787 Y N 1.347 121.323 120.300 -0.541 0.000 2.181 787 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 787 Y C 2.596 178.039 175.900 -0.760 0.000 1.146 787 Y CA 1.206 58.713 58.100 -0.988 0.000 1.164 787 Y CB -0.265 36.967 38.460 -2.046 0.000 0.982 787 Y HN 0.041 nan 8.280 nan 0.000 0.515 788 Q N -0.662 119.006 119.800 -0.220 0.000 2.061 788 Q HA -0.216 4.124 4.340 -0.001 0.000 0.204 788 Q C 2.552 178.549 176.000 -0.005 0.000 0.984 788 Q CA 1.597 57.432 55.803 0.055 0.000 0.846 788 Q CB -0.386 28.419 28.738 0.112 0.000 0.902 788 Q HN 0.523 nan 8.270 nan 0.000 0.421 789 A N 0.997 123.778 122.820 -0.066 0.000 1.898 789 A HA -0.107 4.212 4.320 -0.001 0.000 0.214 789 A C 1.979 179.525 177.584 -0.063 0.000 1.183 789 A CA 0.972 52.982 52.037 -0.045 0.000 0.622 789 A CB -0.211 18.760 19.000 -0.049 0.000 0.824 789 A HN 0.173 nan 8.150 nan 0.000 0.444 790 R N -1.215 119.198 120.500 -0.145 0.000 2.119 790 R HA 0.231 4.570 4.340 -0.001 0.000 0.222 790 R C 1.219 177.369 176.300 -0.249 0.000 1.088 790 R CA 1.396 57.379 56.100 -0.196 0.000 0.984 790 R CB -0.081 30.049 30.300 -0.284 0.000 0.884 790 R HN 0.558 nan 8.270 nan 0.000 0.447 791 I N -2.759 117.692 120.570 -0.198 0.000 3.620 791 I HA -0.001 4.168 4.170 -0.001 0.000 0.255 791 I C 1.348 177.621 176.117 0.260 0.000 1.124 791 I CA -0.239 61.044 61.300 -0.027 0.000 1.526 791 I CB -0.223 37.644 38.000 -0.222 0.000 1.681 791 I HN 0.030 nan 8.210 nan 0.000 0.420 792 W N 2.112 123.498 121.300 0.142 0.000 2.358 792 W HA -0.072 4.588 4.660 0.000 0.000 0.303 792 W C 1.877 178.426 176.519 0.050 0.000 1.208 792 W CA 0.788 58.208 57.345 0.126 0.000 1.274 792 W CB -0.639 28.878 29.460 0.094 0.000 1.138 792 W HN 0.254 nan 8.180 nan 0.000 0.515 793 Q N -1.119 118.817 119.800 0.226 0.000 2.194 793 Q HA 0.334 4.674 4.340 -0.001 0.000 0.214 793 Q C 0.663 176.692 176.000 0.048 0.000 0.838 793 Q CA 0.027 55.897 55.803 0.112 0.000 0.972 793 Q CB -0.176 28.623 28.738 0.102 0.000 1.131 793 Q HN -0.006 nan 8.270 nan 0.000 0.498 794 A N 1.502 124.352 122.820 0.049 0.000 2.366 794 A HA 0.261 4.580 4.320 -0.001 0.000 0.250 794 A C 0.281 177.853 177.584 -0.020 0.000 1.099 794 A CA -0.241 51.809 52.037 0.022 0.000 0.794 794 A CB 0.294 19.323 19.000 0.049 0.000 1.056 794 A HN 0.141 nan 8.150 nan 0.000 0.499 795 K N 0.579 120.969 120.400 -0.016 0.000 2.276 795 K HA 0.276 4.595 4.320 -0.001 0.000 0.283 795 K C 0.093 176.655 176.600 -0.063 0.000 1.044 795 K CA -0.233 56.030 56.287 -0.040 0.000 0.944 795 K CB 0.505 32.995 32.500 -0.016 0.000 1.012 795 K HN 0.696 nan 8.250 nan 0.000 0.472 796 R N 0.000 120.428 120.500 -0.120 0.000 2.786 796 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 796 R CA 0.000 56.014 56.100 -0.144 0.000 0.921 796 R CB 0.000 30.130 30.300 -0.284 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535