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 3l2j_1_B DATA FIRST_RESID -341 DATA SEQUENCE EEGKLVIWIN GDKGYNGLAE VGKKFEKDTG IKVTVEHPDK LEEKFPQVAA DATA SEQUENCE TGDGPDIIFW AHDRFGGYAQ SGLLAEITPD KAFQDKLYPF TWDAVRYNGK DATA SEQUENCE LIAYPIAVEA LSLIYNKDLL PNPPKTWEEI PALDKELKAK GKSALMFNLQ DATA SEQUENCE EPYFTWPLIA ADGGYAFKYE NGKYDIKDVG VDNAGAKAGL TFLVDLIKNK DATA SEQUENCE HMNADTDYSI AEAAFNKGET AMTINGPWAW SNIDTSKVNY GVTVLPTFKG DATA SEQUENCE QPSKPFVGVL SAGINAASPN KELAKEFLEN YLLTDEGLEA VNKDKPLGAV DATA SEQUENCE ALKSYEEELA KDPRIAATME NAQKGEIMPN IPQMSAFWYA VRTAVINAAS DATA SEQUENCE GRQTVDEALK DAQTNAAAEF DDVMTKEEQI FLLHRAQAQc EKRLKEVLQR DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXRPc DATA SEQUENCE LPEWDHILcW PLGAPGEVVA VPcPDYIYDF NHKGHAYRRc DRNGSWELVP DATA SEQUENCE GHNRTWANYS EcVKFLTNET REREVFDRLH H 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 -341 E HA 0.000 nan 4.350 nan 0.000 0.291 -341 E C 0.000 176.590 176.600 -0.016 0.000 1.382 -341 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 -341 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 -340 E N 1.421 121.613 120.200 -0.012 0.000 2.437 -340 E HA 0.234 4.577 4.350 -0.011 0.000 0.263 -340 E C 1.004 177.602 176.600 -0.004 0.000 1.030 -340 E CA 2.048 58.444 56.400 -0.008 0.000 0.934 -340 E CB 0.402 30.098 29.700 -0.006 0.000 0.943 -340 E HN 0.787 nan 8.360 nan 0.000 0.444 -339 G N 2.931 111.733 108.800 0.003 0.000 2.168 -339 G HA2 -0.344 3.609 3.960 -0.011 0.000 0.263 -339 G HA3 -0.344 3.609 3.960 -0.011 0.000 0.263 -339 G C -0.103 174.805 174.900 0.012 0.000 0.977 -339 G CA 1.072 46.177 45.100 0.008 0.000 0.659 -339 G HN 0.671 nan 8.290 nan 0.000 0.533 -338 K N -1.025 119.377 120.400 0.004 0.000 2.509 -338 K HA 0.828 5.141 4.320 -0.011 0.000 0.266 -338 K C -0.894 175.690 176.600 -0.026 0.000 0.987 -338 K CA -1.340 54.947 56.287 -0.000 0.000 0.868 -338 K CB 1.452 33.949 32.500 -0.005 0.000 1.421 -338 K HN 0.148 nan 8.250 nan 0.000 0.444 -337 L N 2.255 123.444 121.223 -0.057 0.000 2.333 -337 L HA 0.515 4.848 4.340 -0.011 0.000 0.280 -337 L C -0.943 175.869 176.870 -0.098 0.000 1.004 -337 L CA -1.367 53.404 54.840 -0.115 0.000 0.820 -337 L CB 2.025 43.936 42.059 -0.246 0.000 1.247 -337 L HN 0.436 nan 8.230 nan 0.000 0.416 -336 V N 4.866 124.736 119.914 -0.074 0.000 2.427 -336 V HA 0.481 4.594 4.120 -0.011 0.000 0.286 -336 V C -0.010 176.074 176.094 -0.017 0.000 1.034 -336 V CA -0.329 61.956 62.300 -0.024 0.000 0.893 -336 V CB 1.982 33.793 31.823 -0.019 0.000 0.982 -336 V HN 0.508 nan 8.190 nan 0.000 0.452 -335 I N 3.674 124.302 120.570 0.095 0.000 2.468 -335 I HA 0.373 4.537 4.170 -0.011 0.000 0.285 -335 I C -1.149 175.217 176.117 0.416 0.000 1.039 -335 I CA -0.328 61.089 61.300 0.194 0.000 1.074 -335 I CB 1.854 39.953 38.000 0.165 0.000 1.228 -335 I HN 0.523 nan 8.210 nan 0.000 0.436 -334 W N 7.514 128.906 121.300 0.154 0.000 2.351 -334 W HA 0.694 5.347 4.660 -0.012 0.000 0.311 -334 W C -0.185 176.474 176.519 0.234 0.000 1.168 -334 W CA -0.940 56.490 57.345 0.142 0.000 1.200 -334 W CB 1.085 30.613 29.460 0.114 0.000 1.221 -334 W HN 0.248 nan 8.180 nan 0.000 0.519 -333 I N 3.000 123.776 120.570 0.342 0.000 2.918 -333 I HA 0.291 4.454 4.170 -0.011 0.000 0.301 -333 I C -0.305 175.914 176.117 0.169 0.000 1.312 -333 I CA -0.818 60.633 61.300 0.251 0.000 1.007 -333 I CB 1.623 39.628 38.000 0.008 0.000 1.281 -333 I HN 0.187 nan 8.210 nan 0.000 0.440 -332 N N 3.239 122.030 118.700 0.151 0.000 2.441 -332 N HA 0.171 4.905 4.740 -0.011 0.000 0.251 -332 N C 0.861 176.383 175.510 0.020 0.000 1.242 -332 N CA 0.957 54.055 53.050 0.079 0.000 0.898 -332 N CB 1.621 40.066 38.487 -0.070 0.000 1.100 -332 N HN 0.808 nan 8.380 nan 0.000 0.443 -331 G N 0.701 109.497 108.800 -0.008 0.000 2.744 -331 G HA2 -0.157 3.796 3.960 -0.011 0.000 0.211 -331 G HA3 -0.157 3.796 3.960 -0.011 0.000 0.211 -331 G C 0.631 175.561 174.900 0.050 0.000 1.143 -331 G CA 0.430 45.515 45.100 -0.025 0.000 0.788 -331 G HN 0.773 nan 8.290 nan 0.000 0.534 -330 D N -0.358 119.985 120.400 -0.094 0.000 2.369 -330 D HA 0.073 4.706 4.640 -0.011 0.000 0.211 -330 D C 0.825 177.058 176.300 -0.111 0.000 1.077 -330 D CA 0.061 53.981 54.000 -0.132 0.000 0.842 -330 D CB 0.347 40.916 40.800 -0.384 0.000 0.947 -330 D HN 0.047 nan 8.370 nan 0.000 0.509 -329 K N 0.314 120.656 120.400 -0.097 0.000 2.399 -329 K HA 0.487 4.800 4.320 -0.011 0.000 0.247 -329 K C 0.866 177.418 176.600 -0.080 0.000 1.036 -329 K CA -0.684 55.559 56.287 -0.074 0.000 0.977 -329 K CB 0.567 33.000 32.500 -0.112 0.000 1.272 -329 K HN 0.007 nan 8.250 nan 0.000 0.501 -328 G N 1.647 110.384 108.800 -0.105 0.000 3.458 -328 G HA2 0.132 4.085 3.960 -0.011 0.000 0.256 -328 G HA3 0.132 4.085 3.960 -0.011 0.000 0.256 -328 G C 0.742 175.524 174.900 -0.196 0.000 0.938 -328 G CA -0.234 44.752 45.100 -0.190 0.000 1.890 -328 G HN 0.575 nan 8.290 nan 0.000 0.639 -327 Y N -0.687 119.542 120.300 -0.119 0.000 2.293 -327 Y HA -0.066 4.477 4.550 -0.010 0.000 0.291 -327 Y C 2.091 177.961 175.900 -0.050 0.000 1.137 -327 Y CA 1.072 59.111 58.100 -0.103 0.000 1.202 -327 Y CB -0.521 37.871 38.460 -0.112 0.000 0.990 -327 Y HN 0.380 nan 8.280 nan 0.000 0.537 -326 N N 0.606 119.159 118.700 -0.245 0.000 2.188 -326 N HA -0.097 4.636 4.740 -0.011 0.000 0.184 -326 N C 2.168 177.658 175.510 -0.034 0.000 1.018 -326 N CA 0.762 53.763 53.050 -0.082 0.000 0.858 -326 N CB -0.398 37.987 38.487 -0.170 0.000 0.989 -326 N HN 0.578 nan 8.380 nan 0.000 0.426 -325 G N 1.325 110.082 108.800 -0.071 0.000 2.402 -325 G HA2 -0.202 3.751 3.960 -0.011 0.000 0.216 -325 G HA3 -0.202 3.751 3.960 -0.011 0.000 0.216 -325 G C 1.446 176.353 174.900 0.012 0.000 1.162 -325 G CA 0.289 45.374 45.100 -0.026 0.000 0.777 -325 G HN 0.150 nan 8.290 nan 0.000 0.539 -324 L N 1.258 122.485 121.223 0.006 0.000 2.141 -324 L HA 0.238 4.571 4.340 -0.011 0.000 0.209 -324 L C 2.986 179.924 176.870 0.114 0.000 1.094 -324 L CA 1.793 56.661 54.840 0.047 0.000 0.763 -324 L CB -0.528 41.510 42.059 -0.036 0.000 0.908 -324 L HN 0.222 nan 8.230 nan 0.000 0.437 -323 A N -0.833 122.044 122.820 0.095 0.000 1.902 -323 A HA -0.223 4.090 4.320 -0.011 0.000 0.217 -323 A C 2.198 179.845 177.584 0.105 0.000 1.181 -323 A CA 1.754 53.852 52.037 0.101 0.000 0.623 -323 A CB -0.585 18.478 19.000 0.105 0.000 0.818 -323 A HN 0.569 nan 8.150 nan 0.000 0.443 -322 E N -0.413 119.842 120.200 0.091 0.000 2.110 -322 E HA -0.128 4.215 4.350 -0.011 0.000 0.193 -322 E C 1.938 178.618 176.600 0.134 0.000 0.988 -322 E CA 1.287 57.742 56.400 0.092 0.000 0.804 -322 E CB -0.207 29.530 29.700 0.062 0.000 0.745 -322 E HN 0.434 nan 8.360 nan 0.000 0.458 -321 V N 0.373 120.385 119.914 0.165 0.000 2.427 -321 V HA -0.156 3.957 4.120 -0.011 0.000 0.248 -321 V C 2.293 178.620 176.094 0.388 0.000 1.051 -321 V CA 1.862 64.310 62.300 0.247 0.000 1.048 -321 V CB -0.710 31.237 31.823 0.206 0.000 0.666 -321 V HN 0.386 nan 8.190 nan 0.000 0.456 -320 G N -0.497 108.500 108.800 0.329 0.000 2.443 -320 G HA2 -0.236 3.717 3.960 -0.011 0.000 0.219 -320 G HA3 -0.236 3.717 3.960 -0.011 0.000 0.219 -320 G C 1.608 176.615 174.900 0.178 0.000 1.131 -320 G CA 0.840 46.068 45.100 0.213 0.000 0.775 -320 G HN 0.495 nan 8.290 nan 0.000 0.547 -319 K N 0.632 121.124 120.400 0.153 0.000 2.001 -319 K HA -0.113 4.201 4.320 -0.011 0.000 0.208 -319 K C 2.435 179.116 176.600 0.133 0.000 1.048 -319 K CA 1.598 57.955 56.287 0.116 0.000 0.932 -319 K CB -0.163 32.394 32.500 0.094 0.000 0.715 -319 K HN 0.148 nan 8.250 nan 0.000 0.437 -318 K N 0.465 120.974 120.400 0.181 0.000 2.074 -318 K HA -0.195 4.118 4.320 -0.011 0.000 0.209 -318 K C 1.857 178.589 176.600 0.220 0.000 1.048 -318 K CA 1.643 58.060 56.287 0.217 0.000 0.926 -318 K CB -0.586 32.081 32.500 0.279 0.000 0.713 -318 K HN 0.222 nan 8.250 nan 0.000 0.444 -317 F N 1.488 121.445 119.950 0.012 0.000 2.186 -317 F HA -0.063 4.457 4.527 -0.012 0.000 0.299 -317 F C 2.144 177.847 175.800 -0.162 0.000 1.090 -317 F CA 1.740 59.564 58.000 -0.294 0.000 1.307 -317 F CB -0.134 38.730 39.000 -0.226 0.000 1.019 -317 F HN 0.252 nan 8.300 nan 0.000 0.489 -316 E N -0.054 120.144 120.200 -0.004 0.000 2.152 -316 E HA -0.166 4.177 4.350 -0.011 0.000 0.192 -316 E C 1.794 178.340 176.600 -0.089 0.000 0.983 -316 E CA 0.751 57.113 56.400 -0.063 0.000 0.818 -316 E CB 0.105 29.815 29.700 0.017 0.000 0.758 -316 E HN 0.228 nan 8.360 nan 0.000 0.467 -315 K N 0.599 120.977 120.400 -0.038 0.000 2.296 -315 K HA -0.060 4.253 4.320 -0.011 0.000 0.200 -315 K C 0.953 177.528 176.600 -0.042 0.000 1.048 -315 K CA 0.773 57.048 56.287 -0.020 0.000 0.966 -315 K CB 0.126 32.642 32.500 0.026 0.000 0.754 -315 K HN 0.141 nan 8.250 nan 0.000 0.466 -314 D N -0.630 119.716 120.400 -0.090 0.000 2.388 -314 D HA -0.013 4.620 4.640 -0.011 0.000 0.208 -314 D C 1.247 177.443 176.300 -0.174 0.000 1.035 -314 D CA 0.906 54.866 54.000 -0.067 0.000 0.875 -314 D CB 0.644 41.498 40.800 0.090 0.000 0.984 -314 D HN 0.292 nan 8.370 nan 0.000 0.508 -313 T N -4.349 109.997 114.554 -0.347 0.000 3.041 -313 T HA 0.356 4.699 4.350 -0.011 0.000 0.276 -313 T C 1.476 176.021 174.700 -0.259 0.000 0.948 -313 T CA 0.279 62.157 62.100 -0.370 0.000 0.885 -313 T CB 0.829 69.273 68.868 -0.707 0.000 1.175 -313 T HN 0.087 nan 8.240 nan 0.000 0.529 -312 G N 2.190 110.865 108.800 -0.209 0.000 2.246 -312 G HA2 -0.150 3.803 3.960 -0.011 0.000 0.273 -312 G HA3 -0.150 3.803 3.960 -0.011 0.000 0.273 -312 G C -0.223 174.616 174.900 -0.103 0.000 1.055 -312 G CA 0.086 45.114 45.100 -0.120 0.000 0.851 -312 G HN 0.572 nan 8.290 nan 0.000 0.500 -311 I N 0.006 120.497 120.570 -0.131 0.000 2.466 -311 I HA 0.328 4.491 4.170 -0.011 0.000 0.289 -311 I C 0.481 176.614 176.117 0.026 0.000 1.026 -311 I CA -1.281 59.995 61.300 -0.039 0.000 1.078 -311 I CB 1.687 39.690 38.000 0.005 0.000 1.249 -311 I HN 0.031 nan 8.210 nan 0.000 0.429 -310 K N 4.693 125.105 120.400 0.020 0.000 2.339 -310 K HA 0.429 4.742 4.320 -0.011 0.000 0.286 -310 K C -0.674 175.930 176.600 0.006 0.000 1.050 -310 K CA -0.340 55.957 56.287 0.016 0.000 0.956 -310 K CB 1.423 33.926 32.500 0.006 0.000 0.990 -310 K HN 0.269 nan 8.250 nan 0.000 0.475 -309 V N 3.425 123.334 119.914 -0.008 0.000 2.378 -309 V HA 0.160 4.273 4.120 -0.011 0.000 0.288 -309 V C -0.300 175.766 176.094 -0.047 0.000 1.016 -309 V CA -0.672 61.576 62.300 -0.087 0.000 0.840 -309 V CB 1.721 33.428 31.823 -0.194 0.000 0.994 -309 V HN 0.745 nan 8.190 nan 0.000 0.431 -308 T N 4.728 119.259 114.554 -0.039 0.000 2.756 -308 T HA 0.480 4.823 4.350 -0.011 0.000 0.290 -308 T C -0.233 174.491 174.700 0.040 0.000 0.985 -308 T CA -0.356 61.751 62.100 0.012 0.000 0.955 -308 T CB 1.405 70.290 68.868 0.028 0.000 0.930 -308 T HN 0.295 nan 8.240 nan 0.000 0.451 -307 V N 4.523 124.475 119.914 0.064 0.000 2.350 -307 V HA 0.373 4.486 4.120 -0.011 0.000 0.276 -307 V C 0.172 176.332 176.094 0.111 0.000 1.028 -307 V CA -0.542 61.821 62.300 0.106 0.000 0.860 -307 V CB 1.035 32.928 31.823 0.116 0.000 0.990 -307 V HN 0.839 nan 8.190 nan 0.000 0.453 -306 E N 2.945 123.220 120.200 0.125 0.000 2.256 -306 E HA 0.545 4.888 4.350 -0.011 0.000 0.267 -306 E C -1.125 175.418 176.600 -0.094 0.000 0.892 -306 E CA -0.799 55.589 56.400 -0.021 0.000 0.775 -306 E CB 2.041 31.729 29.700 -0.020 0.000 1.207 -306 E HN 0.972 nan 8.360 nan 0.000 0.420 -305 H N -0.303 118.570 119.070 -0.328 0.000 2.423 -305 H HA 0.407 4.957 4.556 -0.011 0.000 0.237 -305 H C -2.738 172.372 175.328 -0.363 0.000 1.391 -305 H CA -2.428 53.398 56.048 -0.370 0.000 1.453 -305 H CB -0.167 29.247 29.762 -0.580 0.000 1.484 -305 H HN 0.140 nan 8.280 nan 0.000 0.505 -304 P HA 0.084 nan 4.420 nan 0.000 0.275 -304 P C -0.093 177.034 177.300 -0.289 0.000 1.228 -304 P CA -0.379 62.436 63.100 -0.474 0.000 0.786 -304 P CB 0.951 32.197 31.700 -0.757 0.000 0.927 -303 D N 2.693 122.961 120.400 -0.221 0.000 2.488 -303 D HA -0.057 4.576 4.640 -0.011 0.000 0.238 -303 D C 0.562 176.772 176.300 -0.149 0.000 1.138 -303 D CA 0.509 54.426 54.000 -0.138 0.000 0.873 -303 D CB 0.234 40.968 40.800 -0.111 0.000 1.183 -303 D HN 0.399 nan 8.370 nan 0.000 0.458 -302 K N 0.989 121.329 120.400 -0.100 0.000 3.077 -302 K HA -0.226 4.087 4.320 -0.011 0.000 0.264 -302 K C 1.269 177.766 176.600 -0.172 0.000 1.008 -302 K CA 0.037 56.254 56.287 -0.116 0.000 0.740 -302 K CB -1.383 31.061 32.500 -0.093 0.000 1.273 -302 K HN 0.384 nan 8.250 nan 0.000 0.477 -301 L N -0.515 120.593 121.223 -0.192 0.000 2.265 -301 L HA -0.131 4.202 4.340 -0.011 0.000 0.215 -301 L C 2.246 179.040 176.870 -0.127 0.000 1.117 -301 L CA 1.937 56.671 54.840 -0.176 0.000 0.782 -301 L CB -0.443 41.534 42.059 -0.136 0.000 0.914 -301 L HN 0.260 nan 8.230 nan 0.000 0.441 -300 E N 0.977 120.908 120.200 -0.448 0.000 2.268 -300 E HA -0.234 4.109 4.350 -0.011 0.000 0.195 -300 E C 1.413 177.923 176.600 -0.151 0.000 0.995 -300 E CA 1.564 57.603 56.400 -0.602 0.000 0.836 -300 E CB -0.267 28.492 29.700 -1.568 0.000 0.763 -300 E HN 0.799 nan 8.360 nan 0.000 0.491 -299 E N 0.110 120.254 120.200 -0.093 0.000 2.447 -299 E HA 0.104 4.447 4.350 -0.011 0.000 0.204 -299 E C 1.733 178.358 176.600 0.041 0.000 0.977 -299 E CA 0.008 56.419 56.400 0.019 0.000 0.950 -299 E CB 0.387 30.088 29.700 0.002 0.000 0.975 -299 E HN 0.136 nan 8.360 nan 0.000 0.496 -298 K N 0.383 120.803 120.400 0.033 0.000 2.057 -298 K HA -0.149 4.164 4.320 -0.011 0.000 0.206 -298 K C 1.767 178.492 176.600 0.207 0.000 1.050 -298 K CA 1.018 57.352 56.287 0.078 0.000 0.935 -298 K CB -0.099 32.392 32.500 -0.015 0.000 0.715 -298 K HN 0.049 nan 8.250 nan 0.000 0.439 -297 F N 2.494 122.520 119.950 0.127 0.000 2.025 -297 F HA -0.163 4.358 4.527 -0.011 0.000 0.297 -297 F C -1.236 174.493 175.800 -0.119 0.000 1.132 -297 F CA 1.574 59.575 58.000 0.002 0.000 1.191 -297 F CB -0.991 37.835 39.000 -0.291 0.000 0.963 -297 F HN 0.101 nan 8.300 nan 0.000 0.481 -296 P HA -0.207 nan 4.420 nan 0.000 0.217 -296 P C 1.174 178.388 177.300 -0.143 0.000 1.148 -296 P CA 1.833 64.862 63.100 -0.119 0.000 0.828 -296 P CB -0.295 31.492 31.700 0.145 0.000 0.783 -295 Q N -0.277 119.448 119.800 -0.125 0.000 2.049 -295 Q HA -0.049 4.284 4.340 -0.011 0.000 0.198 -295 Q C 2.328 178.232 176.000 -0.161 0.000 0.971 -295 Q CA 1.684 57.398 55.803 -0.149 0.000 0.833 -295 Q CB -1.084 27.584 28.738 -0.117 0.000 0.896 -295 Q HN 0.315 nan 8.270 nan 0.000 0.434 -294 V N -1.519 118.302 119.914 -0.156 0.000 3.052 -294 V HA 0.178 4.291 4.120 -0.011 0.000 0.254 -294 V C 2.239 178.158 176.094 -0.292 0.000 1.100 -294 V CA 1.196 63.407 62.300 -0.147 0.000 1.112 -294 V CB -0.629 31.211 31.823 0.028 0.000 0.738 -294 V HN 0.173 nan 8.190 nan 0.000 0.469 -293 A N 1.250 123.742 122.820 -0.547 0.000 1.917 -293 A HA -0.021 4.292 4.320 -0.011 0.000 0.219 -293 A C 2.212 179.538 177.584 -0.429 0.000 1.182 -293 A CA 2.300 53.880 52.037 -0.763 0.000 0.633 -293 A CB -1.007 17.093 19.000 -1.500 0.000 0.819 -293 A HN 1.290 nan 8.150 nan 0.000 0.448 -292 A N -0.629 121.994 122.820 -0.329 0.000 2.411 -292 A HA 0.366 4.679 4.320 -0.011 0.000 0.251 -292 A C 1.393 178.936 177.584 -0.069 0.000 1.317 -292 A CA 1.169 53.098 52.037 -0.180 0.000 0.904 -292 A CB -0.815 18.014 19.000 -0.284 0.000 0.993 -292 A HN 0.776 nan 8.150 nan 0.000 0.504 -291 T N -5.839 108.650 114.554 -0.109 0.000 3.111 -291 T HA 0.405 4.748 4.350 -0.011 0.000 0.284 -291 T C 1.242 175.944 174.700 0.002 0.000 0.983 -291 T CA 0.946 63.035 62.100 -0.019 0.000 0.900 -291 T CB -0.037 68.769 68.868 -0.103 0.000 1.132 -291 T HN 1.534 nan 8.240 nan 0.000 0.531 -290 G N 1.528 110.302 108.800 -0.044 0.000 2.203 -290 G HA2 -0.248 3.705 3.960 -0.011 0.000 0.263 -290 G HA3 -0.248 3.705 3.960 -0.011 0.000 0.263 -290 G C 0.285 175.162 174.900 -0.039 0.000 1.012 -290 G CA 0.585 45.658 45.100 -0.045 0.000 0.749 -290 G HN 0.563 nan 8.290 nan 0.000 0.512 -289 D N -0.565 119.805 120.400 -0.050 0.000 2.454 -289 D HA 0.286 4.919 4.640 -0.011 0.000 0.214 -289 D C 1.810 178.089 176.300 -0.035 0.000 1.088 -289 D CA 0.795 54.795 54.000 0.001 0.000 0.855 -289 D CB 0.046 40.869 40.800 0.038 0.000 1.025 -289 D HN 0.582 nan 8.370 nan 0.000 0.502 -288 G N 1.543 110.211 108.800 -0.219 0.000 2.606 -288 G HA2 0.364 4.317 3.960 -0.011 0.000 0.252 -288 G HA3 0.364 4.317 3.960 -0.011 0.000 0.252 -288 G C -2.232 172.303 174.900 -0.608 0.000 1.206 -288 G CA -0.725 44.035 45.100 -0.566 0.000 0.861 -288 G HN -0.043 nan 8.290 nan 0.000 0.561 -287 P HA 0.261 nan 4.420 nan 0.000 0.282 -287 P C -0.129 176.980 177.300 -0.318 0.000 1.287 -287 P CA -0.485 62.211 63.100 -0.673 0.000 0.792 -287 P CB 1.733 32.841 31.700 -0.986 0.000 1.163 -286 D N -0.730 119.555 120.400 -0.191 0.000 2.216 -286 D HA 0.123 4.756 4.640 -0.011 0.000 0.208 -286 D C 0.550 176.808 176.300 -0.070 0.000 0.960 -286 D CA 1.300 55.234 54.000 -0.109 0.000 0.861 -286 D CB 0.372 41.120 40.800 -0.088 0.000 0.985 -286 D HN 0.301 nan 8.370 nan 0.000 0.493 -285 I N 1.136 121.671 120.570 -0.059 0.000 2.533 -285 I HA 0.317 4.480 4.170 -0.011 0.000 0.290 -285 I C -0.705 175.418 176.117 0.010 0.000 1.056 -285 I CA -0.675 60.616 61.300 -0.015 0.000 1.057 -285 I CB 3.215 41.249 38.000 0.057 0.000 1.240 -285 I HN -0.207 nan 8.210 nan 0.000 0.423 -284 I N 5.515 126.037 120.570 -0.079 0.000 2.404 -284 I HA 0.487 4.650 4.170 -0.011 0.000 0.293 -284 I C -1.392 174.776 176.117 0.085 0.000 0.992 -284 I CA -0.468 60.823 61.300 -0.015 0.000 1.149 -284 I CB 1.252 38.966 38.000 -0.477 0.000 1.315 -284 I HN 0.338 nan 8.210 nan 0.000 0.446 -283 F N 7.866 127.965 119.950 0.249 0.000 2.411 -283 F HA 0.503 5.023 4.527 -0.012 0.000 0.352 -283 F C -0.343 175.709 175.800 0.421 0.000 1.123 -283 F CA -0.105 58.067 58.000 0.286 0.000 1.044 -283 F CB 1.119 40.234 39.000 0.192 0.000 1.135 -283 F HN 0.446 nan 8.300 nan 0.000 0.461 -282 W N 1.967 123.453 121.300 0.310 0.000 2.937 -282 W HA 0.654 5.308 4.660 -0.009 0.000 0.360 -282 W C -1.393 175.154 176.519 0.047 0.000 1.215 -282 W CA -1.219 56.248 57.345 0.204 0.000 1.183 -282 W CB 1.501 31.144 29.460 0.305 0.000 1.458 -282 W HN 0.587 nan 8.180 nan 0.000 0.574 -281 A N 1.900 124.477 122.820 -0.404 0.000 2.425 -281 A HA 0.091 4.404 4.320 -0.011 0.000 0.242 -281 A C 1.291 178.840 177.584 -0.059 0.000 1.077 -281 A CA 0.658 52.540 52.037 -0.257 0.000 0.781 -281 A CB -0.103 18.634 19.000 -0.439 0.000 1.020 -281 A HN 0.765 nan 8.150 nan 0.000 0.494 -280 H N 1.106 120.072 119.070 -0.174 0.000 2.543 -280 H HA -0.146 4.403 4.556 -0.011 0.000 0.286 -280 H C 0.868 176.206 175.328 0.017 0.000 1.037 -280 H CA 1.439 57.355 56.048 -0.220 0.000 1.250 -280 H CB -0.345 29.315 29.762 -0.170 0.000 1.373 -280 H HN 0.814 nan 8.280 nan 0.000 0.580 -279 D N 1.325 121.474 120.400 -0.417 0.000 2.178 -279 D HA -0.150 4.483 4.640 -0.011 0.000 0.202 -279 D C 1.863 178.134 176.300 -0.049 0.000 0.974 -279 D CA 0.308 54.156 54.000 -0.253 0.000 0.841 -279 D CB -0.305 40.379 40.800 -0.194 0.000 0.953 -279 D HN 0.223 nan 8.370 nan 0.000 0.478 -278 R N -0.533 120.006 120.500 0.064 0.000 2.280 -278 R HA 0.045 4.378 4.340 -0.011 0.000 0.207 -278 R C 1.724 177.680 176.300 -0.573 0.000 1.043 -278 R CA 0.081 56.024 56.100 -0.262 0.000 1.006 -278 R CB -0.505 29.579 30.300 -0.361 0.000 0.885 -278 R HN 0.257 nan 8.270 nan 0.000 0.467 -277 F N -0.113 119.620 119.950 -0.362 0.000 2.456 -277 F HA 0.086 4.607 4.527 -0.010 0.000 0.298 -277 F C 2.400 178.021 175.800 -0.299 0.000 1.104 -277 F CA 0.794 58.673 58.000 -0.202 0.000 1.435 -277 F CB -0.719 38.287 39.000 0.010 0.000 1.078 -277 F HN 0.078 nan 8.300 nan 0.000 0.546 -276 G N -0.070 108.574 108.800 -0.260 0.000 2.421 -276 G HA2 -0.195 3.758 3.960 -0.011 0.000 0.216 -276 G HA3 -0.195 3.758 3.960 -0.011 0.000 0.216 -276 G C 2.101 176.678 174.900 -0.539 0.000 1.171 -276 G CA 0.871 45.527 45.100 -0.740 0.000 0.775 -276 G HN 0.472 nan 8.290 nan 0.000 0.543 -275 G N -0.131 108.455 108.800 -0.356 0.000 2.418 -275 G HA2 -0.192 3.761 3.960 -0.011 0.000 0.217 -275 G HA3 -0.192 3.761 3.960 -0.011 0.000 0.217 -275 G C 1.643 176.488 174.900 -0.092 0.000 1.158 -275 G CA 1.076 46.040 45.100 -0.227 0.000 0.771 -275 G HN 0.389 nan 8.290 nan 0.000 0.545 -274 Y N 1.319 121.556 120.300 -0.104 0.000 2.181 -274 Y HA 0.049 4.592 4.550 -0.012 0.000 0.288 -274 Y C 3.120 178.998 175.900 -0.035 0.000 1.146 -274 Y CA 0.208 58.275 58.100 -0.055 0.000 1.164 -274 Y CB -1.093 37.260 38.460 -0.179 0.000 0.982 -274 Y HN 0.269 nan 8.280 nan 0.000 0.515 -273 A N -0.390 122.464 122.820 0.057 0.000 1.873 -273 A HA -0.235 4.078 4.320 -0.011 0.000 0.215 -273 A C 2.136 179.758 177.584 0.064 0.000 1.186 -273 A CA 1.780 53.846 52.037 0.047 0.000 0.616 -273 A CB -0.736 18.259 19.000 -0.007 0.000 0.823 -273 A HN 0.369 nan 8.150 nan 0.000 0.442 -272 Q N 0.173 119.981 119.800 0.013 0.000 2.364 -272 Q HA -0.000 4.333 4.340 -0.011 0.000 0.207 -272 Q C 1.717 177.783 176.000 0.110 0.000 0.970 -272 Q CA 1.410 57.257 55.803 0.073 0.000 0.888 -272 Q CB -0.299 28.463 28.738 0.040 0.000 0.951 -272 Q HN 0.577 nan 8.270 nan 0.000 0.469 -271 S N -1.101 114.680 115.700 0.135 0.000 2.593 -271 S HA 0.213 4.676 4.470 -0.011 0.000 0.217 -271 S C 0.907 175.663 174.600 0.260 0.000 0.966 -271 S CA 0.426 58.751 58.200 0.208 0.000 0.914 -271 S CB 0.219 63.554 63.200 0.224 0.000 0.776 -271 S HN 0.581 nan 8.310 nan 0.000 0.523 -270 G N 1.596 110.495 108.800 0.165 0.000 2.295 -270 G HA2 -0.237 3.716 3.960 -0.011 0.000 0.287 -270 G HA3 -0.237 3.716 3.960 -0.011 0.000 0.287 -270 G C 0.365 175.315 174.900 0.082 0.000 1.055 -270 G CA 0.372 45.523 45.100 0.086 0.000 0.922 -270 G HN 0.527 nan 8.290 nan 0.000 0.503 -269 L N -1.579 119.708 121.223 0.106 0.000 2.609 -269 L HA 0.393 4.726 4.340 -0.011 0.000 0.230 -269 L C 1.229 178.140 176.870 0.068 0.000 1.087 -269 L CA 0.120 54.995 54.840 0.060 0.000 0.874 -269 L CB 0.126 42.217 42.059 0.053 0.000 1.114 -269 L HN 0.231 nan 8.230 nan 0.000 0.488 -268 L N 0.201 121.469 121.223 0.076 0.000 2.317 -268 L HA 0.627 4.960 4.340 -0.011 0.000 0.281 -268 L C 0.300 177.197 176.870 0.045 0.000 1.024 -268 L CA -0.621 54.255 54.840 0.062 0.000 0.810 -268 L CB 1.509 43.611 42.059 0.072 0.000 1.240 -268 L HN -0.111 nan 8.230 nan 0.000 0.427 -267 A N 2.061 124.904 122.820 0.038 0.000 2.371 -267 A HA 0.366 4.679 4.320 -0.011 0.000 0.257 -267 A C 0.026 177.638 177.584 0.047 0.000 1.089 -267 A CA -0.477 51.578 52.037 0.030 0.000 0.794 -267 A CB 0.130 19.147 19.000 0.028 0.000 1.029 -267 A HN 0.816 nan 8.150 nan 0.000 0.488 -266 E N 1.419 121.640 120.200 0.036 0.000 2.338 -266 E HA 0.424 4.767 4.350 -0.011 0.000 0.272 -266 E C -0.259 176.352 176.600 0.018 0.000 1.029 -266 E CA -0.549 55.872 56.400 0.035 0.000 0.872 -266 E CB 0.574 30.292 29.700 0.030 0.000 1.015 -266 E HN 0.604 nan 8.360 nan 0.000 0.417 -265 I N 0.308 120.870 120.570 -0.013 0.000 2.428 -265 I HA 0.323 4.486 4.170 -0.011 0.000 0.289 -265 I C -0.129 175.962 176.117 -0.043 0.000 1.019 -265 I CA -0.516 60.752 61.300 -0.053 0.000 1.351 -265 I CB 1.651 39.478 38.000 -0.289 0.000 1.412 -265 I HN 0.565 nan 8.210 nan 0.000 0.513 -264 T N 3.114 117.675 114.554 0.011 0.000 3.427 -264 T HA 0.500 4.843 4.350 -0.011 0.000 0.306 -264 T C -2.358 172.371 174.700 0.047 0.000 1.733 -264 T CA -1.311 60.795 62.100 0.010 0.000 1.599 -264 T CB -0.139 68.738 68.868 0.014 0.000 0.964 -264 T HN 0.588 nan 8.240 nan 0.000 0.701 -263 P HA 0.365 nan 4.420 nan 0.000 0.284 -263 P C -0.429 176.920 177.300 0.081 0.000 1.253 -263 P CA -0.320 62.880 63.100 0.167 0.000 0.800 -263 P CB 0.966 32.908 31.700 0.405 0.000 0.961 -262 D N 0.595 121.062 120.400 0.113 0.000 2.360 -262 D HA 0.045 4.678 4.640 -0.011 0.000 0.242 -262 D C 1.267 177.603 176.300 0.060 0.000 1.184 -262 D CA -0.486 53.554 54.000 0.066 0.000 0.930 -262 D CB 0.864 41.706 40.800 0.071 0.000 1.161 -262 D HN 0.188 nan 8.370 nan 0.000 0.447 -261 K N 0.571 120.976 120.400 0.010 0.000 2.044 -261 K HA -0.286 4.027 4.320 -0.011 0.000 0.210 -261 K C 2.037 178.653 176.600 0.026 0.000 1.049 -261 K CA 1.533 57.810 56.287 -0.017 0.000 0.927 -261 K CB -0.635 31.852 32.500 -0.022 0.000 0.713 -261 K HN 0.610 nan 8.250 nan 0.000 0.443 -260 A N 0.651 123.509 122.820 0.063 0.000 1.927 -260 A HA -0.239 4.074 4.320 -0.011 0.000 0.220 -260 A C 2.050 179.725 177.584 0.150 0.000 1.185 -260 A CA 1.872 53.962 52.037 0.089 0.000 0.639 -260 A CB -0.858 18.198 19.000 0.094 0.000 0.820 -260 A HN 0.525 nan 8.150 nan 0.000 0.451 -259 F N 0.356 120.342 119.950 0.060 0.000 2.234 -259 F HA -0.118 4.402 4.527 -0.010 0.000 0.296 -259 F C 2.582 178.502 175.800 0.199 0.000 1.089 -259 F CA 1.599 59.672 58.000 0.121 0.000 1.343 -259 F CB -0.176 38.919 39.000 0.159 0.000 1.040 -259 F HN 0.305 nan 8.300 nan 0.000 0.498 -258 Q N -0.200 119.634 119.800 0.056 0.000 2.234 -258 Q HA -0.221 4.112 4.340 -0.011 0.000 0.206 -258 Q C 1.147 177.183 176.000 0.060 0.000 0.980 -258 Q CA 1.517 57.293 55.803 -0.045 0.000 0.869 -258 Q CB -0.347 28.168 28.738 -0.372 0.000 0.912 -258 Q HN 0.487 nan 8.270 nan 0.000 0.436 -257 D N 0.442 120.834 120.400 -0.014 0.000 2.363 -257 D HA -0.029 4.604 4.640 -0.011 0.000 0.226 -257 D C 1.115 177.380 176.300 -0.059 0.000 1.020 -257 D CA 0.596 54.590 54.000 -0.010 0.000 0.892 -257 D CB 0.199 40.992 40.800 -0.011 0.000 0.900 -257 D HN 0.222 nan 8.370 nan 0.000 0.531 -256 K N -0.146 120.171 120.400 -0.137 0.000 2.361 -256 K HA 0.140 4.454 4.320 -0.011 0.000 0.196 -256 K C 0.590 177.025 176.600 -0.275 0.000 1.039 -256 K CA 0.331 56.487 56.287 -0.218 0.000 1.001 -256 K CB 0.657 32.975 32.500 -0.304 0.000 0.795 -256 K HN 0.048 nan 8.250 nan 0.000 0.495 -255 L N 0.849 121.948 121.223 -0.208 0.000 2.346 -255 L HA 0.343 4.676 4.340 -0.011 0.000 0.274 -255 L C -0.493 176.288 176.870 -0.149 0.000 1.007 -255 L CA -1.381 53.282 54.840 -0.295 0.000 0.818 -255 L CB 0.875 42.604 42.059 -0.551 0.000 1.284 -255 L HN -0.084 nan 8.230 nan 0.000 0.424 -254 Y N 2.401 122.644 120.300 -0.096 0.000 2.811 -254 Y HA -0.026 4.515 4.550 -0.015 0.000 0.334 -254 Y C -1.385 174.542 175.900 0.044 0.000 1.247 -254 Y CA -0.953 57.152 58.100 0.009 0.000 1.526 -254 Y CB -0.036 38.448 38.460 0.040 0.000 1.284 -254 Y HN 0.440 nan 8.280 nan 0.000 0.586 -253 P HA -0.162 nan 4.420 nan 0.000 0.223 -253 P C 1.351 178.826 177.300 0.293 0.000 1.151 -253 P CA 1.218 64.544 63.100 0.375 0.000 0.787 -253 P CB -0.112 31.752 31.700 0.273 0.000 0.788 -252 F N 0.301 120.337 119.950 0.142 0.000 2.367 -252 F HA -0.077 4.442 4.527 -0.013 0.000 0.298 -252 F C 1.851 177.661 175.800 0.016 0.000 1.094 -252 F CA 1.464 59.501 58.000 0.061 0.000 1.409 -252 F CB -1.746 37.260 39.000 0.009 0.000 1.064 -252 F HN -0.138 nan 8.300 nan 0.000 0.528 -251 T N -2.540 111.441 114.554 -0.955 0.000 2.777 -251 T HA -0.229 4.114 4.350 -0.011 0.000 0.266 -251 T C 1.667 176.116 174.700 -0.419 0.000 1.040 -251 T CA 1.367 62.961 62.100 -0.844 0.000 1.141 -251 T CB -1.370 67.030 68.868 -0.780 0.000 0.868 -251 T HN 0.591 nan 8.240 nan 0.000 0.444 -250 W N 2.129 123.313 121.300 -0.194 0.000 2.338 -250 W HA -0.067 4.587 4.660 -0.011 0.000 0.304 -250 W C 2.308 178.779 176.519 -0.079 0.000 1.212 -250 W CA 0.625 57.906 57.345 -0.107 0.000 1.264 -250 W CB -0.365 29.057 29.460 -0.063 0.000 1.142 -250 W HN 0.218 nan 8.180 nan 0.000 0.512 -249 D N 0.014 120.518 120.400 0.174 0.000 2.149 -249 D HA -0.223 4.410 4.640 -0.011 0.000 0.194 -249 D C 2.143 178.478 176.300 0.058 0.000 1.001 -249 D CA 2.044 56.114 54.000 0.117 0.000 0.849 -249 D CB -0.831 40.046 40.800 0.128 0.000 0.939 -249 D HN 0.169 nan 8.370 nan 0.000 0.449 -248 A N 0.305 123.092 122.820 -0.055 0.000 2.014 -248 A HA -0.052 4.261 4.320 -0.011 0.000 0.218 -248 A C 2.051 179.590 177.584 -0.075 0.000 1.163 -248 A CA 1.184 53.114 52.037 -0.177 0.000 0.652 -248 A CB -0.191 18.523 19.000 -0.476 0.000 0.808 -248 A HN 0.231 nan 8.150 nan 0.000 0.449 -247 V N -2.702 117.196 119.914 -0.026 0.000 3.421 -247 V HA 0.352 4.465 4.120 -0.011 0.000 0.316 -247 V C 0.504 176.682 176.094 0.140 0.000 1.347 -247 V CA -0.175 62.145 62.300 0.033 0.000 1.183 -247 V CB -1.052 30.750 31.823 -0.034 0.000 1.092 -247 V HN 0.394 nan 8.190 nan 0.000 0.433 -246 R N 0.710 121.305 120.500 0.159 0.000 2.338 -246 R HA 0.550 4.883 4.340 -0.011 0.000 0.317 -246 R C -1.764 174.676 176.300 0.234 0.000 0.968 -246 R CA -0.727 55.475 56.100 0.171 0.000 0.849 -246 R CB 1.363 31.739 30.300 0.127 0.000 1.128 -246 R HN 0.493 nan 8.270 nan 0.000 0.448 -245 Y N 4.620 124.980 120.300 0.099 0.000 2.396 -245 Y HA 0.188 4.730 4.550 -0.012 0.000 0.332 -245 Y C -0.226 175.721 175.900 0.078 0.000 1.034 -245 Y CA -0.833 57.330 58.100 0.104 0.000 1.057 -245 Y CB 1.418 39.950 38.460 0.121 0.000 1.220 -245 Y HN 0.852 nan 8.280 nan 0.000 0.440 -244 N N 4.167 122.540 118.700 -0.545 0.000 2.708 -244 N HA -0.234 4.499 4.740 -0.011 0.000 0.249 -244 N C 0.865 176.317 175.510 -0.096 0.000 1.097 -244 N CA 1.630 54.484 53.050 -0.326 0.000 0.710 -244 N CB -0.862 37.481 38.487 -0.240 0.000 1.032 -244 N HN 1.462 nan 8.380 nan 0.000 0.551 -243 G N -1.076 107.690 108.800 -0.056 0.000 2.168 -243 G HA2 -0.330 3.623 3.960 -0.011 0.000 0.263 -243 G HA3 -0.330 3.623 3.960 -0.011 0.000 0.263 -243 G C 0.004 174.913 174.900 0.014 0.000 0.977 -243 G CA 1.073 46.165 45.100 -0.014 0.000 0.659 -243 G HN 0.408 nan 8.290 nan 0.000 0.533 -242 K N -0.061 120.371 120.400 0.053 0.000 2.123 -242 K HA 0.614 4.927 4.320 -0.011 0.000 0.259 -242 K C 0.402 177.058 176.600 0.094 0.000 0.960 -242 K CA -0.861 55.468 56.287 0.070 0.000 0.872 -242 K CB 1.805 34.365 32.500 0.100 0.000 1.079 -242 K HN 0.184 nan 8.250 nan 0.000 0.440 -241 L N 3.924 125.182 121.223 0.059 0.000 2.281 -241 L HA 0.272 4.605 4.340 -0.011 0.000 0.285 -241 L C 1.417 178.336 176.870 0.082 0.000 1.074 -241 L CA -0.115 54.769 54.840 0.073 0.000 0.817 -241 L CB 0.328 42.399 42.059 0.020 0.000 1.168 -241 L HN 0.650 nan 8.230 nan 0.000 0.434 -240 I N -0.060 120.588 120.570 0.130 0.000 4.181 -240 I HA 0.509 4.672 4.170 -0.011 0.000 0.331 -240 I C 0.624 176.855 176.117 0.189 0.000 1.312 -240 I CA -0.076 61.326 61.300 0.170 0.000 1.146 -240 I CB 0.486 38.636 38.000 0.250 0.000 1.074 -240 I HN 0.493 nan 8.210 nan 0.000 0.402 -239 A N 0.075 122.953 122.820 0.097 0.000 2.567 -239 A HA 0.735 5.048 4.320 -0.011 0.000 0.289 -239 A C -2.020 175.497 177.584 -0.111 0.000 1.177 -239 A CA -0.452 51.613 52.037 0.046 0.000 0.694 -239 A CB 0.684 19.669 19.000 -0.025 0.000 1.292 -239 A HN 0.151 nan 8.150 nan 0.000 0.425 -238 Y N 0.925 121.223 120.300 -0.003 0.000 2.331 -238 Y HA 0.466 5.009 4.550 -0.012 0.000 0.338 -238 Y C -2.088 173.680 175.900 -0.219 0.000 0.992 -238 Y CA -2.063 56.001 58.100 -0.060 0.000 1.121 -238 Y CB 1.625 40.087 38.460 0.004 0.000 1.184 -238 Y HN 0.391 nan 8.280 nan 0.000 0.469 -237 P HA 0.095 nan 4.420 nan 0.000 0.276 -237 P C -0.058 177.124 177.300 -0.197 0.000 1.230 -237 P CA 0.116 63.034 63.100 -0.303 0.000 0.776 -237 P CB 1.607 32.997 31.700 -0.517 0.000 0.888 -236 I N 1.508 122.019 120.570 -0.099 0.000 3.196 -236 I HA 0.327 4.490 4.170 -0.011 0.000 0.248 -236 I C 1.166 177.279 176.117 -0.007 0.000 1.105 -236 I CA 0.366 61.667 61.300 0.001 0.000 1.482 -236 I CB -1.165 36.915 38.000 0.134 0.000 1.400 -236 I HN 0.342 nan 8.210 nan 0.000 0.464 -235 A N 0.362 123.180 122.820 -0.004 0.000 2.594 -235 A HA 0.702 5.015 4.320 -0.011 0.000 0.291 -235 A C -1.351 176.239 177.584 0.009 0.000 1.105 -235 A CA -0.371 51.677 52.037 0.019 0.000 0.694 -235 A CB 1.750 20.787 19.000 0.060 0.000 1.291 -235 A HN -0.125 nan 8.150 nan 0.000 0.410 -234 V N 1.753 121.696 119.914 0.049 0.000 2.347 -234 V HA 0.372 4.485 4.120 -0.011 0.000 0.280 -234 V C -0.329 175.839 176.094 0.124 0.000 1.021 -234 V CA -0.306 62.049 62.300 0.092 0.000 0.847 -234 V CB 0.935 32.857 31.823 0.166 0.000 0.990 -234 V HN 0.897 nan 8.190 nan 0.000 0.444 -233 E N 3.425 123.718 120.200 0.155 0.000 2.204 -233 E HA 0.832 5.175 4.350 -0.011 0.000 0.276 -233 E C -0.364 176.380 176.600 0.240 0.000 0.974 -233 E CA -0.654 55.870 56.400 0.207 0.000 0.815 -233 E CB 2.195 32.083 29.700 0.313 0.000 1.119 -233 E HN 0.795 nan 8.360 nan 0.000 0.393 -232 A N 2.906 125.840 122.820 0.189 0.000 2.517 -232 A HA 0.388 4.701 4.320 -0.011 0.000 0.297 -232 A C -0.869 176.772 177.584 0.094 0.000 1.050 -232 A CA -0.768 51.374 52.037 0.176 0.000 0.694 -232 A CB 0.809 19.893 19.000 0.140 0.000 1.277 -232 A HN 0.561 nan 8.150 nan 0.000 0.400 -231 L N 1.887 123.150 121.223 0.066 0.000 2.485 -231 L HA 0.336 4.669 4.340 -0.011 0.000 0.275 -231 L C 0.514 177.400 176.870 0.026 0.000 1.207 -231 L CA 0.291 55.137 54.840 0.010 0.000 0.855 -231 L CB 0.911 42.937 42.059 -0.054 0.000 1.114 -231 L HN 0.797 nan 8.230 nan 0.000 0.485 -230 S N 2.256 117.976 115.700 0.032 0.000 2.704 -230 S HA 0.566 5.029 4.470 -0.011 0.000 0.296 -230 S C -0.988 173.617 174.600 0.008 0.000 1.138 -230 S CA -0.692 57.535 58.200 0.045 0.000 0.875 -230 S CB 2.079 65.349 63.200 0.117 0.000 1.151 -230 S HN 0.377 nan 8.310 nan 0.000 0.500 -229 L N 2.125 123.344 121.223 -0.006 0.000 2.257 -229 L HA 0.567 4.900 4.340 -0.011 0.000 0.290 -229 L C -1.363 175.540 176.870 0.055 0.000 1.044 -229 L CA -0.074 54.746 54.840 -0.034 0.000 0.810 -229 L CB -0.132 41.872 42.059 -0.092 0.000 1.193 -229 L HN 0.527 nan 8.230 nan 0.000 0.425 -228 I N 6.411 126.974 120.570 -0.012 0.000 2.321 -228 I HA 0.310 4.473 4.170 -0.011 0.000 0.291 -228 I C -0.887 175.261 176.117 0.051 0.000 0.998 -228 I CA -0.774 60.509 61.300 -0.028 0.000 1.227 -228 I CB 0.727 38.581 38.000 -0.244 0.000 1.368 -228 I HN 0.546 nan 8.210 nan 0.000 0.466 -227 Y N 4.000 124.359 120.300 0.099 0.000 2.485 -227 Y HA 0.486 5.028 4.550 -0.014 0.000 0.345 -227 Y C -0.284 175.839 175.900 0.373 0.000 0.998 -227 Y CA -1.706 56.529 58.100 0.226 0.000 1.059 -227 Y CB 0.634 39.141 38.460 0.078 0.000 1.234 -227 Y HN 0.449 nan 8.280 nan 0.000 0.461 -226 N N 3.535 122.468 118.700 0.389 0.000 2.399 -226 N HA 0.033 4.766 4.740 -0.011 0.000 0.259 -226 N C 0.478 176.049 175.510 0.101 0.000 1.160 -226 N CA 0.242 53.351 53.050 0.098 0.000 0.946 -226 N CB 0.720 39.160 38.487 -0.078 0.000 1.156 -226 N HN 0.890 nan 8.380 nan 0.000 0.489 -225 K N 2.231 122.622 120.400 -0.016 0.000 2.103 -225 K HA -0.156 4.157 4.320 -0.011 0.000 0.207 -225 K C 0.437 177.072 176.600 0.058 0.000 1.048 -225 K CA 1.511 57.824 56.287 0.043 0.000 0.930 -225 K CB 0.265 32.729 32.500 -0.061 0.000 0.716 -225 K HN 0.490 nan 8.250 nan 0.000 0.444 -224 D N 0.438 120.846 120.400 0.013 0.000 2.162 -224 D HA -0.052 4.581 4.640 -0.011 0.000 0.203 -224 D C 1.604 177.912 176.300 0.013 0.000 0.967 -224 D CA 0.793 54.796 54.000 0.004 0.000 0.840 -224 D CB 0.088 40.876 40.800 -0.020 0.000 0.972 -224 D HN 0.073 nan 8.370 nan 0.000 0.482 -223 L N -0.611 120.622 121.223 0.017 0.000 2.418 -223 L HA 0.128 4.461 4.340 -0.011 0.000 0.218 -223 L C 0.047 176.949 176.870 0.053 0.000 1.125 -223 L CA 0.186 55.040 54.840 0.024 0.000 0.835 -223 L CB 0.453 42.518 42.059 0.010 0.000 0.953 -223 L HN 0.003 nan 8.230 nan 0.000 0.454 -222 L N -0.234 121.043 121.223 0.090 0.000 2.673 -222 L HA 0.305 4.638 4.340 -0.011 0.000 0.255 -222 L C -2.169 174.791 176.870 0.150 0.000 1.015 -222 L CA -0.892 54.010 54.840 0.103 0.000 0.930 -222 L CB 1.184 43.313 42.059 0.117 0.000 1.185 -222 L HN -0.297 nan 8.230 nan 0.000 0.457 -221 P HA -0.033 nan 4.420 nan 0.000 0.220 -221 P C -0.354 176.985 177.300 0.065 0.000 1.148 -221 P CA 0.907 64.065 63.100 0.097 0.000 0.803 -221 P CB 0.240 31.966 31.700 0.043 0.000 0.782 -220 N N 0.652 119.338 118.700 -0.024 0.000 2.531 -220 N HA 0.243 4.977 4.740 -0.011 0.000 0.268 -220 N C -2.679 172.684 175.510 -0.245 0.000 1.023 -220 N CA -1.619 51.351 53.050 -0.133 0.000 0.896 -220 N CB 1.497 39.931 38.487 -0.089 0.000 1.233 -220 N HN 0.101 nan 8.380 nan 0.000 0.512 -219 P HA 0.168 nan 4.420 nan 0.000 0.268 -219 P C -2.509 174.601 177.300 -0.316 0.000 1.205 -219 P CA -0.783 61.994 63.100 -0.539 0.000 0.771 -219 P CB -0.047 31.078 31.700 -0.959 0.000 0.858 -218 P HA 0.129 nan 4.420 nan 0.000 0.276 -218 P C 0.603 177.783 177.300 -0.201 0.000 1.235 -218 P CA -0.168 62.822 63.100 -0.183 0.000 0.772 -218 P CB 0.842 32.449 31.700 -0.154 0.000 0.871 -217 K N 0.760 121.068 120.400 -0.152 0.000 2.288 -217 K HA 0.019 4.332 4.320 -0.011 0.000 0.201 -217 K C 1.171 177.698 176.600 -0.121 0.000 1.048 -217 K CA 1.049 57.256 56.287 -0.134 0.000 0.956 -217 K CB -0.382 32.059 32.500 -0.098 0.000 0.746 -217 K HN 0.666 nan 8.250 nan 0.000 0.461 -216 T N -4.458 110.031 114.554 -0.108 0.000 2.908 -216 T HA 0.299 4.642 4.350 -0.011 0.000 0.290 -216 T C 0.562 175.229 174.700 -0.054 0.000 1.034 -216 T CA -0.907 61.161 62.100 -0.054 0.000 1.010 -216 T CB 1.079 69.936 68.868 -0.018 0.000 1.068 -216 T HN 0.140 nan 8.240 nan 0.000 0.481 -215 W N 0.571 121.851 121.300 -0.034 0.000 2.402 -215 W HA 0.101 4.755 4.660 -0.010 0.000 0.286 -215 W C 2.151 178.689 176.519 0.032 0.000 1.221 -215 W CA 0.640 57.978 57.345 -0.012 0.000 1.257 -215 W CB -0.132 29.266 29.460 -0.104 0.000 1.120 -215 W HN 0.814 nan 8.180 nan 0.000 0.551 -214 E N 0.244 120.542 120.200 0.164 0.000 2.153 -214 E HA -0.223 4.120 4.350 -0.011 0.000 0.194 -214 E C 1.842 178.575 176.600 0.221 0.000 0.988 -214 E CA 1.679 58.190 56.400 0.185 0.000 0.811 -214 E CB -0.389 29.341 29.700 0.049 0.000 0.746 -214 E HN 0.490 nan 8.360 nan 0.000 0.466 -213 E N 0.090 120.364 120.200 0.123 0.000 2.489 -213 E HA 0.007 4.351 4.350 -0.011 0.000 0.193 -213 E C 1.645 178.280 176.600 0.058 0.000 1.057 -213 E CA 0.061 56.503 56.400 0.070 0.000 0.866 -213 E CB -0.039 29.672 29.700 0.017 0.000 0.916 -213 E HN 0.267 nan 8.360 nan 0.000 0.500 -212 I N 1.703 122.332 120.570 0.099 0.000 2.252 -212 I HA -0.136 4.027 4.170 -0.011 0.000 0.245 -212 I C -0.569 175.531 176.117 -0.029 0.000 1.102 -212 I CA 0.744 62.076 61.300 0.053 0.000 1.385 -212 I CB -1.024 37.041 38.000 0.107 0.000 1.064 -212 I HN 0.088 nan 8.210 nan 0.000 0.414 -211 P HA -0.251 nan 4.420 nan 0.000 0.216 -211 P C 1.487 178.718 177.300 -0.115 0.000 1.157 -211 P CA 2.127 64.957 63.100 -0.449 0.000 0.880 -211 P CB -0.054 31.471 31.700 -0.292 0.000 0.791 -210 A N -1.155 121.663 122.820 -0.002 0.000 1.902 -210 A HA -0.176 4.137 4.320 -0.011 0.000 0.217 -210 A C 2.194 179.807 177.584 0.048 0.000 1.181 -210 A CA 1.495 53.559 52.037 0.045 0.000 0.623 -210 A CB -1.634 17.390 19.000 0.040 0.000 0.818 -210 A HN 0.161 nan 8.150 nan 0.000 0.443 -209 L N -0.057 121.185 121.223 0.031 0.000 2.093 -209 L HA -0.120 4.213 4.340 -0.011 0.000 0.208 -209 L C 1.977 178.883 176.870 0.060 0.000 1.085 -209 L CA 2.479 57.339 54.840 0.034 0.000 0.755 -209 L CB -0.378 41.691 42.059 0.016 0.000 0.904 -209 L HN 0.554 nan 8.230 nan 0.000 0.435 -208 D N -0.868 119.580 120.400 0.081 0.000 2.123 -208 D HA -0.243 4.390 4.640 -0.011 0.000 0.200 -208 D C 2.218 178.615 176.300 0.163 0.000 0.976 -208 D CA 1.099 55.187 54.000 0.146 0.000 0.831 -208 D CB -0.063 40.885 40.800 0.247 0.000 0.974 -208 D HN 0.154 nan 8.370 nan 0.000 0.469 -207 K N 0.181 120.697 120.400 0.193 0.000 2.211 -207 K HA -0.200 4.113 4.320 -0.011 0.000 0.204 -207 K C 1.954 178.602 176.600 0.081 0.000 1.047 -207 K CA 1.096 57.470 56.287 0.145 0.000 0.935 -207 K CB -0.003 32.598 32.500 0.167 0.000 0.728 -207 K HN 0.287 nan 8.250 nan 0.000 0.452 -206 E N 0.218 120.461 120.200 0.071 0.000 2.076 -206 E HA -0.107 4.236 4.350 -0.011 0.000 0.190 -206 E C 1.990 178.616 176.600 0.043 0.000 0.979 -206 E CA 0.433 56.862 56.400 0.048 0.000 0.807 -206 E CB 0.110 29.834 29.700 0.040 0.000 0.761 -206 E HN 0.235 nan 8.360 nan 0.000 0.454 -205 L N 0.842 122.096 121.223 0.051 0.000 2.156 -205 L HA -0.112 4.221 4.340 -0.011 0.000 0.208 -205 L C 2.490 179.384 176.870 0.040 0.000 1.095 -205 L CA 0.707 55.574 54.840 0.045 0.000 0.770 -205 L CB -0.127 41.964 42.059 0.053 0.000 0.914 -205 L HN -0.008 nan 8.230 nan 0.000 0.439 -204 K N 0.106 120.535 120.400 0.048 0.000 2.103 -204 K HA -0.163 4.150 4.320 -0.011 0.000 0.207 -204 K C 2.102 178.715 176.600 0.021 0.000 1.048 -204 K CA 1.497 57.804 56.287 0.034 0.000 0.930 -204 K CB -0.377 32.141 32.500 0.031 0.000 0.716 -204 K HN 0.315 nan 8.250 nan 0.000 0.444 -203 A N 1.291 124.124 122.820 0.023 0.000 2.019 -203 A HA -0.136 4.177 4.320 -0.011 0.000 0.219 -203 A C 1.653 179.244 177.584 0.013 0.000 1.164 -203 A CA 1.323 53.369 52.037 0.016 0.000 0.644 -203 A CB -0.137 18.873 19.000 0.018 0.000 0.805 -203 A HN 0.227 nan 8.150 nan 0.000 0.449 -202 K N -1.222 119.187 120.400 0.015 0.000 2.446 -202 K HA 0.283 4.596 4.320 -0.011 0.000 0.203 -202 K C 0.756 177.361 176.600 0.008 0.000 1.027 -202 K CA 0.366 56.659 56.287 0.011 0.000 1.166 -202 K CB 0.022 32.529 32.500 0.012 0.000 0.869 -202 K HN 0.570 nan 8.250 nan 0.000 0.504 -201 G N 2.009 110.815 108.800 0.010 0.000 2.176 -201 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.252 -201 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.252 -201 G C -0.142 174.764 174.900 0.010 0.000 1.024 -201 G CA 0.372 45.476 45.100 0.007 0.000 0.755 -201 G HN 0.147 nan 8.290 nan 0.000 0.507 -200 K N -0.496 119.915 120.400 0.018 0.000 2.349 -200 K HA 0.824 5.137 4.320 -0.011 0.000 0.243 -200 K C 0.111 176.736 176.600 0.041 0.000 1.058 -200 K CA -0.051 56.251 56.287 0.024 0.000 0.871 -200 K CB 1.721 34.234 32.500 0.022 0.000 1.337 -200 K HN 0.646 nan 8.250 nan 0.000 0.469 -199 S N -1.504 114.229 115.700 0.055 0.000 2.568 -199 S HA 0.617 5.080 4.470 -0.011 0.000 0.293 -199 S C 0.539 175.199 174.600 0.099 0.000 1.089 -199 S CA -0.449 57.799 58.200 0.081 0.000 0.945 -199 S CB 1.889 65.139 63.200 0.083 0.000 1.077 -199 S HN 0.600 nan 8.310 nan 0.000 0.485 -198 A N 0.771 123.660 122.820 0.115 0.000 1.874 -198 A HA 0.450 4.763 4.320 -0.011 0.000 0.214 -198 A C 0.528 178.195 177.584 0.138 0.000 1.189 -198 A CA 0.931 53.035 52.037 0.112 0.000 0.615 -198 A CB -0.534 18.522 19.000 0.094 0.000 0.830 -198 A HN 1.004 nan 8.150 nan 0.000 0.443 -197 L N -0.962 120.359 121.223 0.165 0.000 2.464 -197 L HA 0.710 5.043 4.340 -0.011 0.000 0.266 -197 L C -1.200 175.822 176.870 0.254 0.000 0.965 -197 L CA -0.127 54.842 54.840 0.214 0.000 0.833 -197 L CB 1.822 44.014 42.059 0.222 0.000 1.296 -197 L HN 0.301 nan 8.230 nan 0.000 0.405 -196 M N 6.408 126.170 119.600 0.270 0.000 2.224 -196 M HA 0.550 5.023 4.480 -0.011 0.000 0.281 -196 M C -1.683 174.770 176.300 0.254 0.000 1.025 -196 M CA -0.408 55.009 55.300 0.195 0.000 0.954 -196 M CB 1.900 34.568 32.600 0.113 0.000 1.639 -196 M HN 0.608 nan 8.290 nan 0.000 0.461 -195 F N 0.728 120.681 119.950 0.005 0.000 2.654 -195 F HA 0.531 5.052 4.527 -0.010 0.000 0.308 -195 F C -0.581 175.162 175.800 -0.096 0.000 1.108 -195 F CA -1.382 56.578 58.000 -0.068 0.000 0.957 -195 F CB 0.747 39.753 39.000 0.011 0.000 1.309 -195 F HN 0.479 nan 8.300 nan 0.000 0.446 -194 N N 2.227 120.809 118.700 -0.197 0.000 2.347 -194 N HA 0.012 4.746 4.740 -0.011 0.000 0.278 -194 N C 0.262 175.716 175.510 -0.094 0.000 1.367 -194 N CA 0.372 53.274 53.050 -0.246 0.000 0.898 -194 N CB 0.290 38.467 38.487 -0.517 0.000 1.203 -194 N HN 0.825 nan 8.380 nan 0.000 0.491 -193 L N 2.115 123.249 121.223 -0.148 0.000 2.477 -193 L HA 0.015 4.349 4.340 -0.011 0.000 0.220 -193 L C 1.921 178.834 176.870 0.072 0.000 1.106 -193 L CA 0.128 54.922 54.840 -0.078 0.000 0.851 -193 L CB -0.141 41.808 42.059 -0.183 0.000 0.994 -193 L HN 0.450 nan 8.230 nan 0.000 0.462 -192 Q N 0.329 120.176 119.800 0.079 0.000 2.124 -192 Q HA -0.046 4.287 4.340 -0.011 0.000 0.202 -192 Q C 0.472 176.588 176.000 0.192 0.000 0.977 -192 Q CA 1.055 56.926 55.803 0.114 0.000 0.850 -192 Q CB -0.158 28.636 28.738 0.093 0.000 0.901 -192 Q HN 0.368 nan 8.270 nan 0.000 0.429 -191 E N 1.273 121.655 120.200 0.302 0.000 2.200 -191 E HA 0.115 4.458 4.350 -0.011 0.000 0.283 -191 E C -1.651 175.223 176.600 0.457 0.000 1.015 -191 E CA -2.143 54.492 56.400 0.393 0.000 0.819 -191 E CB 1.245 31.276 29.700 0.551 0.000 1.081 -191 E HN -0.025 nan 8.360 nan 0.000 0.397 -190 P HA -0.172 nan 4.420 nan 0.000 0.225 -190 P C 1.236 178.880 177.300 0.574 0.000 1.148 -190 P CA 0.893 64.268 63.100 0.458 0.000 0.779 -190 P CB 0.096 32.088 31.700 0.486 0.000 0.780 -189 Y N 0.159 120.624 120.300 0.275 0.000 2.224 -189 Y HA -0.153 4.390 4.550 -0.012 0.000 0.289 -189 Y C 1.917 177.912 175.900 0.158 0.000 1.146 -189 Y CA 1.500 59.679 58.100 0.131 0.000 1.182 -189 Y CB -0.906 37.365 38.460 -0.314 0.000 0.983 -189 Y HN -0.201 nan 8.280 nan 0.000 0.524 -188 F N -1.112 119.062 119.950 0.373 0.000 2.473 -188 F HA -0.028 4.492 4.527 -0.012 0.000 0.294 -188 F C 2.501 178.525 175.800 0.373 0.000 1.103 -188 F CA 1.257 59.454 58.000 0.328 0.000 1.442 -188 F CB -0.753 38.560 39.000 0.523 0.000 1.097 -188 F HN 0.031 nan 8.300 nan 0.000 0.547 -187 T N -3.013 111.890 114.554 0.581 0.000 3.054 -187 T HA -0.167 4.176 4.350 -0.011 0.000 0.259 -187 T C 1.872 176.726 174.700 0.257 0.000 1.092 -187 T CA 0.151 62.516 62.100 0.441 0.000 1.121 -187 T CB -0.711 68.367 68.868 0.351 0.000 0.912 -187 T HN 0.512 nan 8.240 nan 0.000 0.489 -186 W N 2.859 124.227 121.300 0.114 0.000 2.338 -186 W HA -0.066 4.586 4.660 -0.013 0.000 0.304 -186 W C -1.644 174.807 176.519 -0.115 0.000 1.212 -186 W CA 1.094 58.442 57.345 0.005 0.000 1.264 -186 W CB -1.165 28.331 29.460 0.058 0.000 1.142 -186 W HN 0.284 nan 8.180 nan 0.000 0.512 -185 P HA -0.248 nan 4.420 nan 0.000 0.217 -185 P C 1.768 178.910 177.300 -0.263 0.000 1.151 -185 P CA 1.866 64.875 63.100 -0.152 0.000 0.849 -185 P CB -0.461 31.239 31.700 0.001 0.000 0.787 -184 L N -1.101 119.919 121.223 -0.338 0.000 2.095 -184 L HA -0.008 4.325 4.340 -0.011 0.000 0.204 -184 L C 2.114 178.604 176.870 -0.633 0.000 1.080 -184 L CA 1.577 56.027 54.840 -0.649 0.000 0.759 -184 L CB -1.076 40.410 42.059 -0.956 0.000 0.914 -184 L HN -0.145 nan 8.230 nan 0.000 0.439 -183 I N -0.228 120.011 120.570 -0.552 0.000 2.614 -183 I HA -0.156 4.007 4.170 -0.011 0.000 0.258 -183 I C 2.056 177.696 176.117 -0.796 0.000 1.189 -183 I CA 1.005 61.960 61.300 -0.575 0.000 1.462 -183 I CB -0.428 37.334 38.000 -0.396 0.000 1.092 -183 I HN 0.329 nan 8.210 nan 0.000 0.442 -182 A N 0.054 122.279 122.820 -0.993 0.000 2.348 -182 A HA 0.490 4.803 4.320 -0.011 0.000 0.224 -182 A C 2.263 179.618 177.584 -0.383 0.000 1.227 -182 A CA 0.646 52.162 52.037 -0.868 0.000 0.885 -182 A CB -0.218 18.049 19.000 -1.221 0.000 0.933 -182 A HN 0.303 nan 8.150 nan 0.000 0.506 -181 A N 0.305 122.951 122.820 -0.290 0.000 1.854 -181 A HA -0.113 4.200 4.320 -0.011 0.000 0.214 -181 A C 1.705 179.297 177.584 0.013 0.000 1.192 -181 A CA 1.877 53.864 52.037 -0.083 0.000 0.611 -181 A CB -0.392 18.611 19.000 0.004 0.000 0.832 -181 A HN 0.398 nan 8.150 nan 0.000 0.442 -180 D N -2.570 117.873 120.400 0.071 0.000 2.340 -180 D HA 0.291 4.924 4.640 -0.011 0.000 0.220 -180 D C 0.918 177.232 176.300 0.023 0.000 1.039 -180 D CA 1.144 55.187 54.000 0.072 0.000 0.866 -180 D CB 0.206 41.108 40.800 0.170 0.000 0.913 -180 D HN 0.456 nan 8.370 nan 0.000 0.523 -179 G N -1.295 107.505 108.800 -0.001 0.000 3.784 -179 G HA2 0.053 4.006 3.960 -0.011 0.000 0.220 -179 G HA3 0.053 4.006 3.960 -0.011 0.000 0.220 -179 G C 0.572 175.529 174.900 0.095 0.000 0.895 -179 G CA -0.223 44.907 45.100 0.051 0.000 0.939 -179 G HN 0.411 nan 8.290 nan 0.000 0.708 -178 G N 0.158 108.925 108.800 -0.054 0.000 2.503 -178 G HA2 0.700 4.653 3.960 -0.011 0.000 0.257 -178 G HA3 0.700 4.653 3.960 -0.011 0.000 0.257 -178 G C -0.441 174.536 174.900 0.129 0.000 1.214 -178 G CA -0.013 45.016 45.100 -0.119 0.000 0.839 -178 G HN 1.356 nan 8.290 nan 0.000 0.559 -177 Y N -2.328 118.110 120.300 0.231 0.000 2.565 -177 Y HA 0.655 5.198 4.550 -0.012 0.000 0.330 -177 Y C 0.595 176.714 175.900 0.364 0.000 1.150 -177 Y CA -0.790 57.555 58.100 0.408 0.000 1.055 -177 Y CB 0.575 39.166 38.460 0.217 0.000 1.337 -177 Y HN 0.743 nan 8.280 nan 0.000 0.457 -176 A N 2.096 125.068 122.820 0.254 0.000 1.822 -176 A HA 0.243 4.556 4.320 -0.011 0.000 0.214 -176 A C -0.280 176.888 177.584 -0.694 0.000 1.245 -176 A CA 1.326 52.953 52.037 -0.683 0.000 0.608 -176 A CB -0.519 17.810 19.000 -1.118 0.000 0.896 -176 A HN 0.590 nan 8.150 nan 0.000 0.457 -175 F N -1.352 118.602 119.950 0.006 0.000 2.520 -175 F HA 0.533 5.053 4.527 -0.012 0.000 0.322 -175 F C 0.056 176.134 175.800 0.463 0.000 1.103 -175 F CA -0.988 57.128 58.000 0.194 0.000 0.926 -175 F CB 1.727 40.722 39.000 -0.008 0.000 1.154 -175 F HN 0.026 nan 8.300 nan 0.000 0.453 -174 K N 2.218 122.974 120.400 0.594 0.000 2.416 -174 K HA 0.088 4.401 4.320 -0.011 0.000 0.283 -174 K C -1.296 175.513 176.600 0.348 0.000 1.037 -174 K CA 0.155 56.632 56.287 0.316 0.000 0.995 -174 K CB 0.020 32.620 32.500 0.167 0.000 0.938 -174 K HN 0.522 nan 8.250 nan 0.000 0.475 -173 Y N 3.224 123.580 120.300 0.093 0.000 2.299 -173 Y HA 0.338 4.881 4.550 -0.010 0.000 0.326 -173 Y C -0.246 175.599 175.900 -0.091 0.000 1.164 -173 Y CA 0.119 58.148 58.100 -0.118 0.000 1.234 -173 Y CB 1.036 39.365 38.460 -0.219 0.000 1.219 -173 Y HN 0.582 nan 8.280 nan 0.000 0.497 -172 E N 3.388 123.317 120.200 -0.452 0.000 2.354 -172 E HA 0.111 4.454 4.350 -0.011 0.000 0.283 -172 E C -0.997 175.355 176.600 -0.413 0.000 0.938 -172 E CA -0.617 55.613 56.400 -0.284 0.000 0.777 -172 E CB 1.537 31.141 29.700 -0.160 0.000 1.222 -172 E HN 0.748 nan 8.360 nan 0.000 0.423 -171 N N 1.240 119.787 118.700 -0.255 0.000 2.708 -171 N HA -0.253 4.480 4.740 -0.011 0.000 0.251 -171 N C 0.559 175.886 175.510 -0.305 0.000 1.017 -171 N CA 1.605 54.525 53.050 -0.217 0.000 0.742 -171 N CB -0.810 37.573 38.487 -0.173 0.000 0.943 -171 N HN 0.925 nan 8.380 nan 0.000 0.539 -170 G N -0.429 108.095 108.800 -0.460 0.000 2.221 -170 G HA2 -0.329 3.624 3.960 -0.011 0.000 0.265 -170 G HA3 -0.329 3.624 3.960 -0.011 0.000 0.265 -170 G C -0.051 174.514 174.900 -0.559 0.000 1.041 -170 G CA 1.269 46.127 45.100 -0.404 0.000 0.807 -170 G HN 0.940 nan 8.290 nan 0.000 0.502 -169 K N -1.964 117.828 120.400 -1.013 0.000 2.607 -169 K HA 0.637 4.951 4.320 -0.011 0.000 0.287 -169 K C -1.177 175.015 176.600 -0.680 0.000 0.996 -169 K CA -1.374 54.525 56.287 -0.647 0.000 0.876 -169 K CB 1.039 33.375 32.500 -0.272 0.000 1.496 -169 K HN 0.006 nan 8.250 nan 0.000 0.415 -168 Y N 0.795 121.032 120.300 -0.104 0.000 2.310 -168 Y HA 0.205 4.748 4.550 -0.012 0.000 0.326 -168 Y C -0.051 175.832 175.900 -0.027 0.000 1.151 -168 Y CA -0.096 58.016 58.100 0.019 0.000 1.195 -168 Y CB 1.279 39.771 38.460 0.054 0.000 1.210 -168 Y HN 0.619 nan 8.280 nan 0.000 0.483 -167 D N 3.991 124.529 120.400 0.230 0.000 2.380 -167 D HA 0.077 4.710 4.640 -0.011 0.000 0.230 -167 D C 0.948 177.395 176.300 0.245 0.000 1.154 -167 D CA -0.182 53.925 54.000 0.178 0.000 0.859 -167 D CB 0.506 41.409 40.800 0.171 0.000 1.045 -167 D HN 0.653 nan 8.370 nan 0.000 0.495 -166 I N 1.661 122.290 120.570 0.099 0.000 2.830 -166 I HA -0.061 4.102 4.170 -0.011 0.000 0.263 -166 I C 1.705 177.985 176.117 0.272 0.000 1.230 -166 I CA 0.743 62.062 61.300 0.030 0.000 1.480 -166 I CB 0.086 38.014 38.000 -0.119 0.000 1.095 -166 I HN 0.096 nan 8.210 nan 0.000 0.455 -165 K N 1.639 122.176 120.400 0.227 0.000 2.186 -165 K HA -0.034 4.279 4.320 -0.011 0.000 0.202 -165 K C 0.706 177.435 176.600 0.215 0.000 1.052 -165 K CA 0.780 57.190 56.287 0.204 0.000 0.965 -165 K CB -0.121 32.484 32.500 0.175 0.000 0.746 -165 K HN 0.337 nan 8.250 nan 0.000 0.457 -164 D N 1.158 121.713 120.400 0.258 0.000 2.347 -164 D HA 0.169 4.803 4.640 -0.011 0.000 0.235 -164 D C -1.300 175.156 176.300 0.260 0.000 1.149 -164 D CA -0.279 53.874 54.000 0.254 0.000 0.850 -164 D CB 0.983 41.945 40.800 0.271 0.000 1.061 -164 D HN -0.058 nan 8.370 nan 0.000 0.487 -163 V N 2.966 122.931 119.914 0.084 0.000 2.588 -163 V HA 0.557 4.670 4.120 -0.011 0.000 0.304 -163 V C 1.064 176.938 176.094 -0.365 0.000 1.042 -163 V CA -0.901 61.296 62.300 -0.173 0.000 0.877 -163 V CB 2.086 33.779 31.823 -0.217 0.000 0.996 -163 V HN 0.638 nan 8.190 nan 0.000 0.425 -162 G N 2.438 110.658 108.800 -0.966 0.000 3.814 -162 G HA2 0.285 4.238 3.960 -0.011 0.000 0.293 -162 G HA3 0.285 4.238 3.960 -0.011 0.000 0.293 -162 G C 0.675 175.301 174.900 -0.457 0.000 1.243 -162 G CA 0.089 44.447 45.100 -1.237 0.000 1.053 -162 G HN 0.523 nan 8.290 nan 0.000 0.562 -161 V N 0.628 120.430 119.914 -0.188 0.000 2.788 -161 V HA 0.003 4.116 4.120 -0.011 0.000 0.251 -161 V C 1.675 177.758 176.094 -0.018 0.000 1.068 -161 V CA 1.905 64.216 62.300 0.018 0.000 1.090 -161 V CB 0.390 32.256 31.823 0.072 0.000 0.710 -161 V HN 0.631 nan 8.190 nan 0.000 0.467 -160 D N -0.527 119.844 120.400 -0.049 0.000 2.623 -160 D HA 0.073 4.706 4.640 -0.011 0.000 0.252 -160 D C 0.188 176.477 176.300 -0.019 0.000 1.294 -160 D CA -0.420 53.566 54.000 -0.023 0.000 0.824 -160 D CB -0.668 40.127 40.800 -0.007 0.000 1.070 -160 D HN 0.521 nan 8.370 nan 0.000 0.487 -159 N N 0.134 118.815 118.700 -0.032 0.000 2.347 -159 N HA 0.317 5.050 4.740 -0.011 0.000 0.253 -159 N C 1.484 176.999 175.510 0.007 0.000 1.274 -159 N CA -0.001 53.050 53.050 0.002 0.000 0.941 -159 N CB 0.367 38.872 38.487 0.030 0.000 1.200 -159 N HN -0.067 nan 8.380 nan 0.000 0.514 -158 A N -0.240 122.594 122.820 0.023 0.000 1.892 -158 A HA -0.099 4.214 4.320 -0.011 0.000 0.218 -158 A C 2.081 179.680 177.584 0.025 0.000 1.188 -158 A CA 2.194 54.246 52.037 0.024 0.000 0.631 -158 A CB -1.802 17.213 19.000 0.026 0.000 0.822 -158 A HN 0.816 nan 8.150 nan 0.000 0.447 -157 G N -1.028 107.787 108.800 0.024 0.000 2.408 -157 G HA2 0.063 4.016 3.960 -0.011 0.000 0.217 -157 G HA3 0.063 4.016 3.960 -0.011 0.000 0.217 -157 G C 1.681 176.573 174.900 -0.013 0.000 1.150 -157 G CA 1.356 46.473 45.100 0.028 0.000 0.776 -157 G HN 0.830 nan 8.290 nan 0.000 0.542 -156 A N 0.863 123.648 122.820 -0.058 0.000 1.929 -156 A HA 0.082 4.395 4.320 -0.011 0.000 0.216 -156 A C 2.289 179.823 177.584 -0.083 0.000 1.176 -156 A CA 1.739 53.703 52.037 -0.121 0.000 0.628 -156 A CB -0.272 18.661 19.000 -0.112 0.000 0.816 -156 A HN 0.356 nan 8.150 nan 0.000 0.444 -155 K N -0.064 120.317 120.400 -0.031 0.000 2.057 -155 K HA -0.090 4.223 4.320 -0.011 0.000 0.207 -155 K C 2.297 178.901 176.600 0.007 0.000 1.049 -155 K CA 1.156 57.438 56.287 -0.009 0.000 0.931 -155 K CB -0.369 32.137 32.500 0.010 0.000 0.714 -155 K HN 0.425 nan 8.250 nan 0.000 0.440 -154 A N 1.343 124.191 122.820 0.047 0.000 1.908 -154 A HA -0.135 4.178 4.320 -0.011 0.000 0.218 -154 A C 2.422 180.028 177.584 0.036 0.000 1.181 -154 A CA 2.074 54.201 52.037 0.149 0.000 0.627 -154 A CB -1.192 17.964 19.000 0.260 0.000 0.818 -154 A HN 0.453 nan 8.150 nan 0.000 0.445 -153 G N -0.701 107.984 108.800 -0.192 0.000 2.394 -153 G HA2 -0.045 3.908 3.960 -0.011 0.000 0.215 -153 G HA3 -0.045 3.908 3.960 -0.011 0.000 0.215 -153 G C 1.477 176.169 174.900 -0.347 0.000 1.165 -153 G CA 1.093 45.854 45.100 -0.566 0.000 0.784 -153 G HN 0.432 nan 8.290 nan 0.000 0.535 -152 L N 0.845 121.960 121.223 -0.180 0.000 2.109 -152 L HA 0.094 4.427 4.340 -0.011 0.000 0.207 -152 L C 2.974 179.812 176.870 -0.053 0.000 1.086 -152 L CA 2.049 56.829 54.840 -0.100 0.000 0.760 -152 L CB -0.765 41.261 42.059 -0.054 0.000 0.910 -152 L HN 0.165 nan 8.230 nan 0.000 0.437 -151 T N -0.573 113.970 114.554 -0.017 0.000 2.665 -151 T HA -0.266 4.077 4.350 -0.011 0.000 0.268 -151 T C 1.666 176.382 174.700 0.027 0.000 1.035 -151 T CA 2.101 64.212 62.100 0.020 0.000 1.151 -151 T CB -0.590 68.314 68.868 0.060 0.000 0.862 -151 T HN 0.346 nan 8.240 nan 0.000 0.438 -150 F N 1.136 121.026 119.950 -0.101 0.000 2.134 -150 F HA -0.022 4.498 4.527 -0.011 0.000 0.299 -150 F C 1.996 177.730 175.800 -0.110 0.000 1.097 -150 F CA 0.758 58.700 58.000 -0.096 0.000 1.264 -150 F CB -0.401 38.487 39.000 -0.185 0.000 1.001 -150 F HN 0.022 nan 8.300 nan 0.000 0.479 -149 L N -0.332 120.847 121.223 -0.074 0.000 2.017 -149 L HA -0.154 4.179 4.340 -0.011 0.000 0.208 -149 L C 2.265 179.077 176.870 -0.095 0.000 1.073 -149 L CA 1.471 56.258 54.840 -0.089 0.000 0.745 -149 L CB -0.808 41.209 42.059 -0.070 0.000 0.894 -149 L HN 0.024 nan 8.230 nan 0.000 0.432 -148 V N -0.207 119.661 119.914 -0.077 0.000 2.392 -148 V HA -0.305 3.808 4.120 -0.011 0.000 0.249 -148 V C 2.207 178.255 176.094 -0.076 0.000 1.059 -148 V CA 1.949 64.214 62.300 -0.058 0.000 1.051 -148 V CB -0.786 31.016 31.823 -0.035 0.000 0.658 -148 V HN 0.486 nan 8.190 nan 0.000 0.455 -147 D N -0.054 120.270 120.400 -0.126 0.000 2.144 -147 D HA -0.126 4.508 4.640 -0.011 0.000 0.199 -147 D C 2.148 178.377 176.300 -0.118 0.000 0.984 -147 D CA 1.121 55.037 54.000 -0.139 0.000 0.834 -147 D CB -0.094 40.580 40.800 -0.211 0.000 0.955 -147 D HN 0.360 nan 8.370 nan 0.000 0.465 -146 L N 0.306 121.426 121.223 -0.172 0.000 2.083 -146 L HA -0.150 4.183 4.340 -0.011 0.000 0.209 -146 L C 2.426 179.324 176.870 0.046 0.000 1.083 -146 L CA 0.659 55.482 54.840 -0.029 0.000 0.752 -146 L CB -0.234 41.805 42.059 -0.034 0.000 0.899 -146 L HN 0.011 nan 8.230 nan 0.000 0.433 -145 I N -0.664 119.900 120.570 -0.011 0.000 2.233 -145 I HA -0.257 3.906 4.170 -0.011 0.000 0.243 -145 I C 2.600 178.703 176.117 -0.023 0.000 1.093 -145 I CA 1.180 62.471 61.300 -0.016 0.000 1.380 -145 I CB -0.338 37.645 38.000 -0.029 0.000 1.067 -145 I HN 0.103 nan 8.210 nan 0.000 0.413 -144 K N 0.919 121.303 120.400 -0.027 0.000 2.034 -144 K HA -0.211 4.102 4.320 -0.011 0.000 0.214 -144 K C 1.296 177.873 176.600 -0.038 0.000 1.051 -144 K CA 2.057 58.327 56.287 -0.028 0.000 0.931 -144 K CB -0.477 32.008 32.500 -0.026 0.000 0.715 -144 K HN 0.425 nan 8.250 nan 0.000 0.446 -143 N N 0.758 119.441 118.700 -0.028 0.000 2.421 -143 N HA -0.014 4.719 4.740 -0.011 0.000 0.201 -143 N C -0.602 174.742 175.510 -0.277 0.000 1.198 -143 N CA -0.061 52.934 53.050 -0.091 0.000 0.838 -143 N CB 0.362 38.865 38.487 0.027 0.000 1.011 -143 N HN 0.052 nan 8.380 nan 0.000 0.463 -142 K N -0.476 119.826 120.400 -0.163 0.000 3.274 -142 K HA -0.235 4.078 4.320 -0.011 0.000 0.300 -142 K C -0.004 176.485 176.600 -0.184 0.000 1.230 -142 K CA 0.722 56.913 56.287 -0.160 0.000 0.884 -142 K CB -1.997 30.408 32.500 -0.158 0.000 1.242 -142 K HN 0.584 nan 8.250 nan 0.000 0.467 -141 H N -0.882 118.184 119.070 -0.007 0.000 2.403 -141 H HA 0.178 4.728 4.556 -0.011 0.000 0.298 -141 H C 1.173 176.515 175.328 0.024 0.000 1.059 -141 H CA 0.945 57.002 56.048 0.015 0.000 1.363 -141 H CB 0.292 30.066 29.762 0.021 0.000 1.410 -141 H HN 0.245 nan 8.280 nan 0.000 0.528 -140 M N -0.027 119.640 119.600 0.112 0.000 2.658 -140 M HA 0.228 4.701 4.480 -0.011 0.000 0.295 -140 M C -0.257 176.042 176.300 -0.001 0.000 1.248 -140 M CA -0.856 54.473 55.300 0.048 0.000 0.843 -140 M CB 2.538 35.154 32.600 0.027 0.000 1.749 -140 M HN -0.114 nan 8.290 nan 0.000 0.464 -139 N N 0.254 118.940 118.700 -0.023 0.000 2.456 -139 N HA 0.454 5.187 4.740 -0.011 0.000 0.288 -139 N C 0.142 175.621 175.510 -0.053 0.000 1.059 -139 N CA 0.029 53.059 53.050 -0.032 0.000 0.946 -139 N CB 1.942 40.413 38.487 -0.026 0.000 1.150 -139 N HN 0.790 nan 8.380 nan 0.000 0.479 -138 A N 2.686 125.480 122.820 -0.042 0.000 2.015 -138 A HA -0.115 4.198 4.320 -0.011 0.000 0.219 -138 A C 1.335 178.894 177.584 -0.042 0.000 1.163 -138 A CA 1.283 53.293 52.037 -0.044 0.000 0.646 -138 A CB -0.130 18.853 19.000 -0.028 0.000 0.806 -138 A HN 0.706 nan 8.150 nan 0.000 0.448 -137 D N -0.221 120.159 120.400 -0.033 0.000 2.317 -137 D HA 0.005 4.638 4.640 -0.011 0.000 0.211 -137 D C 0.236 176.519 176.300 -0.029 0.000 0.966 -137 D CA 0.583 54.569 54.000 -0.023 0.000 0.876 -137 D CB -0.399 40.392 40.800 -0.015 0.000 0.927 -137 D HN 0.248 nan 8.370 nan 0.000 0.519 -136 T N 2.570 117.092 114.554 -0.054 0.000 2.708 -136 T HA 0.053 4.397 4.350 -0.011 0.000 0.271 -136 T C 0.166 174.827 174.700 -0.065 0.000 0.985 -136 T CA 0.036 62.096 62.100 -0.067 0.000 1.229 -136 T CB -0.035 68.767 68.868 -0.109 0.000 0.934 -136 T HN 0.239 nan 8.240 nan 0.000 0.522 -135 D N 1.629 122.015 120.400 -0.024 0.000 2.529 -135 D HA 0.184 4.818 4.640 -0.011 0.000 0.273 -135 D C 1.169 177.478 176.300 0.016 0.000 1.197 -135 D CA -0.947 53.062 54.000 0.015 0.000 1.070 -135 D CB 0.304 41.136 40.800 0.054 0.000 1.134 -135 D HN 0.309 nan 8.370 nan 0.000 0.590 -134 Y N 0.117 120.388 120.300 -0.048 0.000 2.097 -134 Y HA -0.255 4.287 4.550 -0.012 0.000 0.282 -134 Y C 2.530 178.431 175.900 0.003 0.000 1.152 -134 Y CA 2.978 61.047 58.100 -0.052 0.000 1.136 -134 Y CB -0.387 38.075 38.460 0.003 0.000 0.975 -134 Y HN 0.467 nan 8.280 nan 0.000 0.498 -133 S N -0.488 115.313 115.700 0.168 0.000 2.406 -133 S HA -0.156 4.307 4.470 -0.011 0.000 0.228 -133 S C 1.984 176.593 174.600 0.014 0.000 1.020 -133 S CA 1.291 59.554 58.200 0.105 0.000 0.965 -133 S CB -0.954 62.336 63.200 0.150 0.000 0.798 -133 S HN 0.536 nan 8.310 nan 0.000 0.488 -132 I N 2.154 122.727 120.570 0.006 0.000 2.179 -132 I HA -0.131 4.032 4.170 -0.011 0.000 0.242 -132 I C 2.994 179.096 176.117 -0.025 0.000 1.088 -132 I CA 1.351 62.648 61.300 -0.006 0.000 1.357 -132 I CB -0.491 37.506 38.000 -0.005 0.000 1.051 -132 I HN 0.450 nan 8.210 nan 0.000 0.409 -131 A N -0.555 122.224 122.820 -0.069 0.000 2.016 -131 A HA -0.155 4.158 4.320 -0.011 0.000 0.217 -131 A C 2.282 179.829 177.584 -0.062 0.000 1.162 -131 A CA 1.116 53.115 52.037 -0.063 0.000 0.662 -131 A CB -0.365 18.577 19.000 -0.096 0.000 0.812 -131 A HN 0.442 nan 8.150 nan 0.000 0.450 -130 E N -0.081 120.028 120.200 -0.151 0.000 2.060 -130 E HA -0.005 4.338 4.350 -0.011 0.000 0.189 -130 E C 2.142 178.758 176.600 0.027 0.000 0.974 -130 E CA 0.728 57.064 56.400 -0.106 0.000 0.808 -130 E CB -0.140 29.417 29.700 -0.240 0.000 0.768 -130 E HN 0.489 nan 8.360 nan 0.000 0.453 -129 A N 1.137 123.964 122.820 0.012 0.000 2.070 -129 A HA -0.060 4.253 4.320 -0.011 0.000 0.220 -129 A C 2.253 179.855 177.584 0.030 0.000 1.159 -129 A CA 1.528 53.582 52.037 0.028 0.000 0.656 -129 A CB -0.467 18.548 19.000 0.025 0.000 0.800 -129 A HN 0.371 nan 8.150 nan 0.000 0.453 -128 A N -1.109 121.735 122.820 0.039 0.000 1.873 -128 A HA -0.027 4.286 4.320 -0.011 0.000 0.215 -128 A C 2.037 179.664 177.584 0.072 0.000 1.186 -128 A CA 1.491 53.557 52.037 0.048 0.000 0.616 -128 A CB -0.661 18.372 19.000 0.055 0.000 0.823 -128 A HN 0.638 nan 8.150 nan 0.000 0.442 -127 F N 1.107 121.039 119.950 -0.030 0.000 2.206 -127 F HA -0.115 4.405 4.527 -0.013 0.000 0.298 -127 F C 2.031 177.807 175.800 -0.040 0.000 1.090 -127 F CA 1.886 59.870 58.000 -0.028 0.000 1.323 -127 F CB -0.265 38.715 39.000 -0.034 0.000 1.028 -127 F HN 0.306 nan 8.300 nan 0.000 0.492 -126 N N -0.067 118.657 118.700 0.041 0.000 2.244 -126 N HA -0.134 4.600 4.740 -0.011 0.000 0.183 -126 N C 1.024 176.473 175.510 -0.102 0.000 1.016 -126 N CA 0.785 53.813 53.050 -0.037 0.000 0.866 -126 N CB -0.123 38.381 38.487 0.028 0.000 0.980 -126 N HN 0.250 nan 8.380 nan 0.000 0.430 -125 K N 0.349 120.703 120.400 -0.076 0.000 2.476 -125 K HA 0.101 4.414 4.320 -0.011 0.000 0.196 -125 K C 0.635 177.173 176.600 -0.103 0.000 1.025 -125 K CA 0.018 56.263 56.287 -0.071 0.000 1.138 -125 K CB 0.463 32.942 32.500 -0.035 0.000 0.860 -125 K HN 0.214 nan 8.250 nan 0.000 0.515 -124 G N 1.775 110.465 108.800 -0.183 0.000 2.168 -124 G HA2 -0.315 3.639 3.960 -0.011 0.000 0.257 -124 G HA3 -0.315 3.639 3.960 -0.011 0.000 0.257 -124 G C 0.447 175.268 174.900 -0.131 0.000 0.997 -124 G CA 0.573 45.547 45.100 -0.209 0.000 0.708 -124 G HN 0.497 nan 8.290 nan 0.000 0.520 -123 E N -0.965 119.183 120.200 -0.087 0.000 2.385 -123 E HA 0.164 4.508 4.350 -0.011 0.000 0.194 -123 E C 1.156 177.757 176.600 0.002 0.000 1.013 -123 E CA 0.962 57.344 56.400 -0.031 0.000 0.866 -123 E CB 0.403 30.097 29.700 -0.010 0.000 0.832 -123 E HN 0.352 nan 8.360 nan 0.000 0.500 -122 T N -1.631 112.931 114.554 0.012 0.000 2.906 -122 T HA 0.510 4.853 4.350 -0.011 0.000 0.295 -122 T C 0.378 175.146 174.700 0.114 0.000 1.061 -122 T CA -0.188 61.970 62.100 0.096 0.000 1.000 -122 T CB 1.687 70.661 68.868 0.176 0.000 1.103 -122 T HN -0.034 nan 8.240 nan 0.000 0.486 -121 A N 3.806 126.720 122.820 0.155 0.000 1.930 -121 A HA 0.427 4.740 4.320 -0.011 0.000 0.215 -121 A C 0.798 178.607 177.584 0.375 0.000 1.176 -121 A CA 0.768 52.916 52.037 0.184 0.000 0.632 -121 A CB -0.150 18.929 19.000 0.132 0.000 0.819 -121 A HN 0.724 nan 8.150 nan 0.000 0.445 -120 M N -1.217 118.588 119.600 0.343 0.000 2.446 -120 M HA 0.432 4.906 4.480 -0.011 0.000 0.294 -120 M C -0.807 175.573 176.300 0.134 0.000 1.158 -120 M CA -0.134 55.318 55.300 0.254 0.000 0.899 -120 M CB 2.581 35.246 32.600 0.108 0.000 1.687 -120 M HN 0.067 nan 8.290 nan 0.000 0.455 -119 T N 2.189 116.662 114.554 -0.134 0.000 2.906 -119 T HA 0.793 5.136 4.350 -0.011 0.000 0.295 -119 T C -1.463 173.142 174.700 -0.158 0.000 1.075 -119 T CA -0.544 61.459 62.100 -0.161 0.000 1.005 -119 T CB 1.237 69.870 68.868 -0.391 0.000 1.136 -119 T HN 0.550 nan 8.240 nan 0.000 0.498 -118 I N 4.262 124.784 120.570 -0.081 0.000 2.354 -118 I HA 0.513 4.676 4.170 -0.011 0.000 0.286 -118 I C 0.017 176.211 176.117 0.128 0.000 1.007 -118 I CA -0.619 60.639 61.300 -0.070 0.000 1.167 -118 I CB 1.202 39.030 38.000 -0.287 0.000 1.320 -118 I HN 0.428 nan 8.210 nan 0.000 0.458 -117 N N 3.190 121.944 118.700 0.089 0.000 2.825 -117 N HA 0.543 5.276 4.740 -0.011 0.000 0.253 -117 N C -0.780 174.626 175.510 -0.174 0.000 1.426 -117 N CA -0.390 52.739 53.050 0.132 0.000 0.851 -117 N CB 2.612 41.092 38.487 -0.012 0.000 1.470 -117 N HN 0.601 nan 8.380 nan 0.000 0.517 -116 G N 0.288 108.621 108.800 -0.778 0.000 2.511 -116 G HA2 0.422 4.375 3.960 -0.011 0.000 0.316 -116 G HA3 0.422 4.375 3.960 -0.011 0.000 0.316 -116 G C -1.770 172.137 174.900 -1.655 0.000 1.210 -116 G CA -1.109 43.122 45.100 -1.449 0.000 0.969 -116 G HN 0.317 nan 8.290 nan 0.000 0.492 -115 P HA -0.200 nan 4.420 nan 0.000 0.217 -115 P C 1.564 178.039 177.300 -1.375 0.000 1.158 -115 P CA 2.293 64.221 63.100 -1.953 0.000 0.887 -115 P CB -0.104 30.956 31.700 -1.066 0.000 0.792 -114 W N 0.042 121.048 121.300 -0.490 0.000 2.313 -114 W HA -0.114 4.540 4.660 -0.010 0.000 0.293 -114 W C 1.895 178.334 176.519 -0.133 0.000 1.216 -114 W CA 1.141 58.341 57.345 -0.242 0.000 1.223 -114 W CB -2.049 27.333 29.460 -0.131 0.000 1.138 -114 W HN -0.112 nan 8.180 nan 0.000 0.535 -113 A N -0.194 122.358 122.820 -0.446 0.000 2.206 -113 A HA 0.041 4.354 4.320 -0.011 0.000 0.211 -113 A C 1.490 179.118 177.584 0.072 0.000 1.158 -113 A CA 0.758 52.757 52.037 -0.063 0.000 0.761 -113 A CB -1.127 17.800 19.000 -0.123 0.000 0.801 -113 A HN 0.437 nan 8.150 nan 0.000 0.473 -112 W N 0.263 121.522 121.300 -0.068 0.000 2.388 -112 W HA -0.023 4.631 4.660 -0.009 0.000 0.294 -112 W C 2.341 178.830 176.519 -0.051 0.000 1.212 -112 W CA 0.625 57.936 57.345 -0.057 0.000 1.271 -112 W CB -1.469 28.027 29.460 0.059 0.000 1.126 -112 W HN 0.317 nan 8.180 nan 0.000 0.535 -111 S N 0.688 116.517 115.700 0.215 0.000 2.400 -111 S HA -0.184 4.279 4.470 -0.011 0.000 0.232 -111 S C 1.639 176.283 174.600 0.074 0.000 1.025 -111 S CA 1.514 59.794 58.200 0.132 0.000 0.993 -111 S CB -0.272 62.987 63.200 0.098 0.000 0.808 -111 S HN 0.250 nan 8.310 nan 0.000 0.478 -110 N N 1.243 119.984 118.700 0.069 0.000 2.300 -110 N HA 0.115 4.849 4.740 -0.011 0.000 0.179 -110 N C 1.547 177.057 175.510 -0.001 0.000 1.016 -110 N CA 0.716 53.794 53.050 0.045 0.000 0.876 -110 N CB -0.322 38.210 38.487 0.076 0.000 0.979 -110 N HN 0.423 nan 8.380 nan 0.000 0.432 -109 I N 0.844 121.377 120.570 -0.063 0.000 2.394 -109 I HA -0.175 3.988 4.170 -0.011 0.000 0.251 -109 I C 1.438 177.442 176.117 -0.189 0.000 1.136 -109 I CA 0.975 62.160 61.300 -0.192 0.000 1.425 -109 I CB -0.156 37.527 38.000 -0.527 0.000 1.079 -109 I HN -0.044 nan 8.210 nan 0.000 0.425 -108 D N 0.609 120.945 120.400 -0.108 0.000 2.144 -108 D HA -0.113 4.520 4.640 -0.011 0.000 0.200 -108 D C 2.234 178.541 176.300 0.012 0.000 0.978 -108 D CA 1.536 55.539 54.000 0.006 0.000 0.833 -108 D CB -0.159 40.688 40.800 0.078 0.000 0.961 -108 D HN 0.299 nan 8.370 nan 0.000 0.470 -107 T N 0.497 115.056 114.554 0.008 0.000 2.777 -107 T HA -0.123 4.221 4.350 -0.011 0.000 0.266 -107 T C 2.067 176.766 174.700 -0.001 0.000 1.040 -107 T CA 1.557 63.663 62.100 0.011 0.000 1.141 -107 T CB -0.174 68.704 68.868 0.017 0.000 0.868 -107 T HN 0.179 nan 8.240 nan 0.000 0.444 -106 S N 0.842 116.533 115.700 -0.015 0.000 2.561 -106 S HA 0.055 4.518 4.470 -0.011 0.000 0.225 -106 S C 0.698 175.276 174.600 -0.038 0.000 0.977 -106 S CA 0.194 58.378 58.200 -0.028 0.000 0.926 -106 S CB -0.569 62.609 63.200 -0.037 0.000 0.769 -106 S HN 0.507 nan 8.310 nan 0.000 0.533 -105 K N 0.241 120.625 120.400 -0.027 0.000 3.257 -105 K HA -0.106 4.207 4.320 -0.011 0.000 0.270 -105 K C -1.057 175.526 176.600 -0.029 0.000 0.984 -105 K CA 0.360 56.639 56.287 -0.013 0.000 0.739 -105 K CB -2.085 30.410 32.500 -0.007 0.000 1.351 -105 K HN 0.350 nan 8.250 nan 0.000 0.463 -104 V N 1.609 121.494 119.914 -0.048 0.000 2.407 -104 V HA 0.094 4.207 4.120 -0.011 0.000 0.278 -104 V C 0.549 176.676 176.094 0.054 0.000 1.037 -104 V CA -0.813 61.444 62.300 -0.071 0.000 0.900 -104 V CB 1.498 33.195 31.823 -0.210 0.000 0.983 -104 V HN 0.303 nan 8.190 nan 0.000 0.459 -103 N N 5.331 124.048 118.700 0.029 0.000 2.406 -103 N HA 0.098 4.831 4.740 -0.011 0.000 0.274 -103 N C -0.922 174.624 175.510 0.060 0.000 1.249 -103 N CA 0.040 53.119 53.050 0.048 0.000 0.951 -103 N CB -0.147 38.330 38.487 -0.017 0.000 1.241 -103 N HN 0.602 nan 8.380 nan 0.000 0.485 -102 Y N 0.612 120.819 120.300 -0.156 0.000 2.536 -102 Y HA 0.848 5.394 4.550 -0.006 0.000 0.347 -102 Y C 0.098 175.764 175.900 -0.391 0.000 1.000 -102 Y CA -1.863 56.103 58.100 -0.223 0.000 1.051 -102 Y CB 0.780 39.224 38.460 -0.026 0.000 1.259 -102 Y HN 0.284 nan 8.280 nan 0.000 0.468 -101 G N 1.077 109.386 108.800 -0.819 0.000 2.481 -101 G HA2 0.589 4.542 3.960 -0.011 0.000 0.315 -101 G HA3 0.589 4.542 3.960 -0.011 0.000 0.315 -101 G C -1.958 172.632 174.900 -0.517 0.000 1.231 -101 G CA -1.155 43.449 45.100 -0.827 0.000 0.968 -101 G HN 0.677 nan 8.290 nan 0.000 0.482 -100 V N 0.708 120.431 119.914 -0.317 0.000 2.384 -100 V HA 0.729 4.842 4.120 -0.011 0.000 0.287 -100 V C 0.304 176.409 176.094 0.019 0.000 1.020 -100 V CA -0.510 61.717 62.300 -0.121 0.000 0.850 -100 V CB 1.139 32.797 31.823 -0.274 0.000 0.987 -100 V HN 0.844 nan 8.190 nan 0.000 0.436 -99 T N 2.877 117.495 114.554 0.107 0.000 2.883 -99 T HA 0.503 4.846 4.350 -0.011 0.000 0.296 -99 T C -0.703 174.001 174.700 0.006 0.000 1.117 -99 T CA -0.385 61.752 62.100 0.062 0.000 1.006 -99 T CB 2.034 70.939 68.868 0.062 0.000 1.191 -99 T HN 0.547 nan 8.240 nan 0.000 0.508 -98 V N 4.552 124.452 119.914 -0.023 0.000 2.694 -98 V HA 0.250 4.364 4.120 -0.011 0.000 0.306 -98 V C 0.369 176.422 176.094 -0.068 0.000 1.054 -98 V CA 0.218 62.498 62.300 -0.033 0.000 1.161 -98 V CB -0.220 31.582 31.823 -0.035 0.000 0.916 -98 V HN 0.752 nan 8.190 nan 0.000 0.490 -97 L N 8.017 129.206 121.223 -0.057 0.000 2.482 -97 L HA 0.246 4.580 4.340 -0.011 0.000 0.273 -97 L C -1.950 174.834 176.870 -0.143 0.000 1.228 -97 L CA -1.306 53.471 54.840 -0.105 0.000 0.827 -97 L CB -0.119 41.928 42.059 -0.021 0.000 1.099 -97 L HN 0.543 nan 8.230 nan 0.000 0.494 -96 P HA 0.058 nan 4.420 nan 0.000 0.271 -96 P C -0.592 176.685 177.300 -0.038 0.000 1.218 -96 P CA -0.436 62.465 63.100 -0.331 0.000 0.780 -96 P CB 0.472 31.693 31.700 -0.797 0.000 0.901 -95 T N -0.002 114.568 114.554 0.028 0.000 2.913 -95 T HA 0.399 4.743 4.350 -0.011 0.000 0.297 -95 T C -0.625 174.257 174.700 0.304 0.000 1.029 -95 T CA -0.310 61.868 62.100 0.130 0.000 1.104 -95 T CB -0.036 68.846 68.868 0.024 0.000 0.964 -95 T HN 0.194 nan 8.240 nan 0.000 0.532 -94 F N 2.606 122.620 119.950 0.105 0.000 2.477 -94 F HA 0.483 5.002 4.527 -0.012 0.000 0.335 -94 F C 0.686 176.425 175.800 -0.102 0.000 1.130 -94 F CA -1.149 56.829 58.000 -0.036 0.000 0.948 -94 F CB 1.114 39.982 39.000 -0.220 0.000 1.154 -94 F HN 0.905 nan 8.300 nan 0.000 0.439 -93 K N 4.625 124.515 120.400 -0.850 0.000 3.071 -93 K HA -0.208 4.105 4.320 -0.011 0.000 0.265 -93 K C 0.889 177.302 176.600 -0.311 0.000 1.060 -93 K CA 0.822 56.703 56.287 -0.676 0.000 0.767 -93 K CB -1.696 30.278 32.500 -0.876 0.000 1.241 -93 K HN 1.418 nan 8.250 nan 0.000 0.486 -92 G N -0.211 108.471 108.800 -0.197 0.000 2.168 -92 G HA2 -0.324 3.629 3.960 -0.011 0.000 0.263 -92 G HA3 -0.324 3.629 3.960 -0.011 0.000 0.263 -92 G C -0.146 174.709 174.900 -0.076 0.000 0.977 -92 G CA 0.801 45.834 45.100 -0.112 0.000 0.659 -92 G HN 0.370 nan 8.290 nan 0.000 0.533 -91 Q N 0.550 120.309 119.800 -0.070 0.000 2.312 -91 Q HA 0.438 4.771 4.340 -0.011 0.000 0.263 -91 Q C -2.566 173.449 176.000 0.025 0.000 0.995 -91 Q CA -2.116 53.672 55.803 -0.025 0.000 0.853 -91 Q CB 2.558 31.281 28.738 -0.026 0.000 1.300 -91 Q HN 0.268 nan 8.270 nan 0.000 0.448 -90 P HA 0.018 nan 4.420 nan 0.000 0.269 -90 P C -0.370 176.964 177.300 0.055 0.000 1.209 -90 P CA 0.020 63.143 63.100 0.039 0.000 0.776 -90 P CB 0.625 32.333 31.700 0.013 0.000 0.876 -89 S N 2.291 118.050 115.700 0.099 0.000 2.560 -89 S HA 0.062 4.525 4.470 -0.011 0.000 0.284 -89 S C 0.537 175.142 174.600 0.007 0.000 1.327 -89 S CA -0.070 58.176 58.200 0.077 0.000 1.055 -89 S CB -0.078 63.242 63.200 0.199 0.000 0.868 -89 S HN 0.293 nan 8.310 nan 0.000 0.506 -88 K N 3.641 124.000 120.400 -0.068 0.000 2.499 -88 K HA 0.257 4.570 4.320 -0.011 0.000 0.215 -88 K C -2.620 173.945 176.600 -0.059 0.000 1.041 -88 K CA -1.755 54.496 56.287 -0.059 0.000 1.031 -88 K CB 0.979 33.429 32.500 -0.082 0.000 1.479 -88 K HN 0.418 nan 8.250 nan 0.000 0.518 -87 P HA 0.064 nan 4.420 nan 0.000 0.274 -87 P C -0.408 176.991 177.300 0.165 0.000 1.231 -87 P CA -0.332 62.794 63.100 0.043 0.000 0.790 -87 P CB 0.510 32.228 31.700 0.031 0.000 0.951 -86 F N 0.843 120.962 119.950 0.282 0.000 2.484 -86 F HA 0.076 4.595 4.527 -0.012 0.000 0.360 -86 F C 0.815 176.810 175.800 0.325 0.000 1.101 -86 F CA -0.164 58.038 58.000 0.338 0.000 1.251 -86 F CB 0.307 39.569 39.000 0.437 0.000 1.132 -86 F HN -0.027 nan 8.300 nan 0.000 0.570 -85 V N 3.624 123.871 119.914 0.556 0.000 2.364 -85 V HA 0.503 4.616 4.120 -0.011 0.000 0.272 -85 V C 0.503 176.860 176.094 0.438 0.000 1.036 -85 V CA -0.658 61.889 62.300 0.412 0.000 0.880 -85 V CB 0.955 32.966 31.823 0.313 0.000 0.991 -85 V HN 0.861 nan 8.190 nan 0.000 0.460 -84 G N 3.918 112.936 108.800 0.363 0.000 2.335 -84 G HA2 0.532 4.485 3.960 -0.011 0.000 0.316 -84 G HA3 0.532 4.485 3.960 -0.011 0.000 0.316 -84 G C -0.788 174.236 174.900 0.206 0.000 1.129 -84 G CA -0.358 44.907 45.100 0.275 0.000 0.899 -84 G HN 0.531 nan 8.290 nan 0.000 0.448 -83 V N 4.340 124.399 119.914 0.242 0.000 2.304 -83 V HA 0.163 4.276 4.120 -0.011 0.000 0.269 -83 V C 0.387 176.471 176.094 -0.017 0.000 1.036 -83 V CA -0.741 61.562 62.300 0.006 0.000 0.840 -83 V CB 0.888 32.573 31.823 -0.230 0.000 1.036 -83 V HN 0.708 nan 8.190 nan 0.000 0.466 -82 L N 6.009 127.206 121.223 -0.043 0.000 2.559 -82 L HA 0.223 4.557 4.340 -0.011 0.000 0.274 -82 L C 0.456 177.280 176.870 -0.077 0.000 1.205 -82 L CA 1.357 56.163 54.840 -0.057 0.000 0.907 -82 L CB 0.483 42.542 42.059 0.001 0.000 1.153 -82 L HN 0.748 nan 8.230 nan 0.000 0.490 -81 S N 3.484 119.092 115.700 -0.154 0.000 2.599 -81 S HA 0.892 5.355 4.470 -0.011 0.000 0.294 -81 S C -0.715 173.734 174.600 -0.252 0.000 1.094 -81 S CA -0.448 57.588 58.200 -0.272 0.000 0.931 -81 S CB 1.857 64.691 63.200 -0.610 0.000 1.093 -81 S HN 0.877 nan 8.310 nan 0.000 0.488 -80 A N 1.158 123.818 122.820 -0.267 0.000 2.291 -80 A HA 0.793 5.106 4.320 -0.011 0.000 0.311 -80 A C 0.197 177.783 177.584 0.003 0.000 1.224 -80 A CA -0.603 51.154 52.037 -0.468 0.000 0.821 -80 A CB 0.484 18.977 19.000 -0.845 0.000 1.172 -80 A HN 0.952 nan 8.150 nan 0.000 0.494 -79 G N 0.995 109.893 108.800 0.163 0.000 2.417 -79 G HA2 0.601 4.555 3.960 -0.011 0.000 0.334 -79 G HA3 0.601 4.555 3.960 -0.011 0.000 0.334 -79 G C -0.704 174.231 174.900 0.058 0.000 1.150 -79 G CA -0.618 44.629 45.100 0.245 0.000 0.923 -79 G HN 0.668 nan 8.290 nan 0.000 0.485 -78 I N 1.389 122.009 120.570 0.083 0.000 2.378 -78 I HA 0.146 4.309 4.170 -0.011 0.000 0.291 -78 I C -0.164 175.974 176.117 0.036 0.000 0.992 -78 I CA -0.965 60.368 61.300 0.056 0.000 1.154 -78 I CB 1.771 39.829 38.000 0.096 0.000 1.315 -78 I HN 0.324 nan 8.210 nan 0.000 0.448 -77 N N 4.749 123.461 118.700 0.020 0.000 2.440 -77 N HA 0.040 4.773 4.740 -0.011 0.000 0.265 -77 N C 0.920 176.424 175.510 -0.010 0.000 1.239 -77 N CA 0.350 53.413 53.050 0.022 0.000 0.909 -77 N CB 1.418 39.883 38.487 -0.036 0.000 1.066 -77 N HN 0.772 nan 8.380 nan 0.000 0.474 -76 A N 3.996 126.809 122.820 -0.012 0.000 2.024 -76 A HA -0.086 4.227 4.320 -0.011 0.000 0.220 -76 A C 1.904 179.455 177.584 -0.055 0.000 1.164 -76 A CA 1.813 53.829 52.037 -0.035 0.000 0.643 -76 A CB -0.577 18.392 19.000 -0.051 0.000 0.806 -76 A HN 0.759 nan 8.150 nan 0.000 0.451 -75 A N -0.858 121.925 122.820 -0.063 0.000 2.123 -75 A HA 0.278 4.591 4.320 -0.011 0.000 0.214 -75 A C 1.491 179.043 177.584 -0.053 0.000 1.152 -75 A CA 0.782 52.785 52.037 -0.057 0.000 0.728 -75 A CB -0.497 18.467 19.000 -0.061 0.000 0.814 -75 A HN 0.469 nan 8.150 nan 0.000 0.464 -74 S N 1.099 116.766 115.700 -0.055 0.000 2.537 -74 S HA 0.249 4.712 4.470 -0.011 0.000 0.286 -74 S C -1.417 173.164 174.600 -0.031 0.000 1.299 -74 S CA -0.839 57.333 58.200 -0.048 0.000 1.067 -74 S CB 0.715 63.886 63.200 -0.047 0.000 0.864 -74 S HN 0.307 nan 8.310 nan 0.000 0.494 -73 P HA 0.187 nan 4.420 nan 0.000 0.257 -73 P C -0.233 177.062 177.300 -0.008 0.000 1.325 -73 P CA 0.090 63.180 63.100 -0.017 0.000 0.850 -73 P CB 0.001 31.691 31.700 -0.017 0.000 1.324 -72 N N 0.148 118.843 118.700 -0.009 0.000 2.282 -72 N HA 0.111 4.844 4.740 -0.011 0.000 0.240 -72 N C 1.150 176.668 175.510 0.013 0.000 1.182 -72 N CA -0.187 52.864 53.050 0.002 0.000 0.874 -72 N CB 0.406 38.887 38.487 -0.009 0.000 1.126 -72 N HN 0.161 nan 8.380 nan 0.000 0.516 -71 K N 1.237 121.645 120.400 0.015 0.000 2.059 -71 K HA -0.184 4.129 4.320 -0.011 0.000 0.212 -71 K C 1.327 177.955 176.600 0.047 0.000 1.050 -71 K CA 1.451 57.756 56.287 0.030 0.000 0.927 -71 K CB 0.133 32.649 32.500 0.027 0.000 0.714 -71 K HN 0.323 nan 8.250 nan 0.000 0.447 -70 E N 0.699 120.926 120.200 0.046 0.000 2.072 -70 E HA -0.159 4.185 4.350 -0.011 0.000 0.191 -70 E C 2.067 178.714 176.600 0.079 0.000 0.985 -70 E CA 0.906 57.342 56.400 0.059 0.000 0.801 -70 E CB -0.097 29.633 29.700 0.051 0.000 0.750 -70 E HN 0.200 nan 8.360 nan 0.000 0.452 -69 L N 0.599 121.872 121.223 0.083 0.000 2.201 -69 L HA -0.153 4.181 4.340 -0.011 0.000 0.212 -69 L C 2.407 179.307 176.870 0.050 0.000 1.105 -69 L CA 0.842 55.758 54.840 0.128 0.000 0.775 -69 L CB -0.297 41.840 42.059 0.130 0.000 0.913 -69 L HN 0.141 nan 8.230 nan 0.000 0.440 -68 A N 0.218 123.052 122.820 0.023 0.000 1.855 -68 A HA -0.250 4.063 4.320 -0.011 0.000 0.215 -68 A C 2.371 179.973 177.584 0.029 0.000 1.191 -68 A CA 1.928 53.973 52.037 0.014 0.000 0.613 -68 A CB -0.475 18.544 19.000 0.031 0.000 0.829 -68 A HN 0.333 nan 8.150 nan 0.000 0.442 -67 K N -0.212 120.217 120.400 0.049 0.000 2.032 -67 K HA -0.275 4.038 4.320 -0.011 0.000 0.209 -67 K C 2.006 178.570 176.600 -0.060 0.000 1.048 -67 K CA 2.080 58.378 56.287 0.018 0.000 0.927 -67 K CB -0.210 32.346 32.500 0.093 0.000 0.712 -67 K HN 0.392 nan 8.250 nan 0.000 0.441 -66 E N 0.221 120.444 120.200 0.038 0.000 2.097 -66 E HA -0.232 4.111 4.350 -0.011 0.000 0.196 -66 E C 1.730 178.419 176.600 0.148 0.000 1.000 -66 E CA 1.777 58.251 56.400 0.124 0.000 0.804 -66 E CB -0.443 29.408 29.700 0.251 0.000 0.740 -66 E HN 0.479 nan 8.360 nan 0.000 0.454 -65 F N -0.087 119.742 119.950 -0.203 0.000 2.163 -65 F HA 0.016 4.537 4.527 -0.010 0.000 0.297 -65 F C 1.798 177.483 175.800 -0.192 0.000 1.094 -65 F CA 1.094 58.826 58.000 -0.447 0.000 1.290 -65 F CB -0.002 38.437 39.000 -0.935 0.000 1.017 -65 F HN 0.035 nan 8.300 nan 0.000 0.483 -64 L N 0.052 121.081 121.223 -0.322 0.000 2.095 -64 L HA -0.115 4.218 4.340 -0.011 0.000 0.204 -64 L C 2.374 178.930 176.870 -0.524 0.000 1.080 -64 L CA 1.323 55.871 54.840 -0.485 0.000 0.759 -64 L CB -0.602 41.103 42.059 -0.590 0.000 0.914 -64 L HN 0.127 nan 8.230 nan 0.000 0.439 -63 E N -0.064 119.791 120.200 -0.575 0.000 2.072 -63 E HA -0.127 4.216 4.350 -0.011 0.000 0.190 -63 E C 1.558 177.927 176.600 -0.385 0.000 0.982 -63 E CA 0.983 56.930 56.400 -0.754 0.000 0.803 -63 E CB 0.014 29.143 29.700 -0.953 0.000 0.755 -63 E HN 0.506 nan 8.360 nan 0.000 0.453 -62 N N -0.642 117.935 118.700 -0.205 0.000 2.415 -62 N HA -0.008 4.725 4.740 -0.011 0.000 0.174 -62 N C 1.214 176.576 175.510 -0.247 0.000 1.048 -62 N CA 0.721 53.685 53.050 -0.143 0.000 0.895 -62 N CB 0.197 38.660 38.487 -0.040 0.000 1.036 -62 N HN 0.190 nan 8.380 nan 0.000 0.449 -61 Y N 0.007 120.161 120.300 -0.243 0.000 2.559 -61 Y HA 0.218 4.761 4.550 -0.011 0.000 0.279 -61 Y C 1.878 177.548 175.900 -0.384 0.000 1.117 -61 Y CA -0.037 57.904 58.100 -0.265 0.000 1.263 -61 Y CB 0.035 38.378 38.460 -0.195 0.000 1.230 -61 Y HN -0.096 nan 8.280 nan 0.000 0.528 -60 L N -0.364 120.607 121.223 -0.420 0.000 2.189 -60 L HA 0.199 4.532 4.340 -0.011 0.000 0.199 -60 L C 0.710 177.491 176.870 -0.148 0.000 1.074 -60 L CA 1.448 56.095 54.840 -0.321 0.000 0.783 -60 L CB -0.394 41.434 42.059 -0.386 0.000 0.955 -60 L HN 0.036 nan 8.230 nan 0.000 0.460 -59 L N 1.771 122.935 121.223 -0.100 0.000 2.533 -59 L HA 0.221 4.554 4.340 -0.011 0.000 0.239 -59 L C -0.510 176.378 176.870 0.030 0.000 1.376 -59 L CA -0.170 54.683 54.840 0.022 0.000 1.240 -59 L CB -1.360 40.814 42.059 0.192 0.000 1.487 -59 L HN 0.336 nan 8.230 nan 0.000 0.419 -58 T N -6.098 108.419 114.554 -0.060 0.000 2.900 -58 T HA 0.248 4.591 4.350 -0.011 0.000 0.303 -58 T C 0.463 175.065 174.700 -0.164 0.000 1.142 -58 T CA -0.903 61.150 62.100 -0.078 0.000 1.007 -58 T CB 2.082 70.888 68.868 -0.104 0.000 1.156 -58 T HN -0.027 nan 8.240 nan 0.000 0.490 -57 D N 0.914 121.225 120.400 -0.148 0.000 2.172 -57 D HA -0.132 4.501 4.640 -0.011 0.000 0.196 -57 D C 1.608 177.666 176.300 -0.404 0.000 0.999 -57 D CA 1.645 55.480 54.000 -0.274 0.000 0.856 -57 D CB 0.060 40.827 40.800 -0.055 0.000 0.934 -57 D HN 0.694 nan 8.370 nan 0.000 0.453 -56 E N 0.096 120.164 120.200 -0.219 0.000 2.028 -56 E HA 0.006 4.349 4.350 -0.011 0.000 0.190 -56 E C 2.292 178.786 176.600 -0.175 0.000 0.984 -56 E CA 1.177 57.478 56.400 -0.165 0.000 0.800 -56 E CB -0.842 28.803 29.700 -0.092 0.000 0.758 -56 E HN 0.295 nan 8.360 nan 0.000 0.448 -55 G N 0.847 109.554 108.800 -0.155 0.000 2.440 -55 G HA2 -0.253 3.700 3.960 -0.011 0.000 0.218 -55 G HA3 -0.253 3.700 3.960 -0.011 0.000 0.218 -55 G C 1.526 176.339 174.900 -0.145 0.000 1.154 -55 G CA 0.832 45.861 45.100 -0.118 0.000 0.767 -55 G HN 0.147 nan 8.290 nan 0.000 0.552 -54 L N -0.147 120.932 121.223 -0.240 0.000 2.156 -54 L HA 0.030 4.364 4.340 -0.011 0.000 0.208 -54 L C 2.717 179.434 176.870 -0.254 0.000 1.095 -54 L CA 1.021 55.724 54.840 -0.228 0.000 0.770 -54 L CB -0.340 41.577 42.059 -0.236 0.000 0.914 -54 L HN 0.341 nan 8.230 nan 0.000 0.439 -53 E N 0.555 120.484 120.200 -0.451 0.000 2.051 -53 E HA -0.247 4.096 4.350 -0.011 0.000 0.192 -53 E C 2.256 178.830 176.600 -0.043 0.000 0.991 -53 E CA 1.227 57.507 56.400 -0.201 0.000 0.799 -53 E CB 0.030 29.613 29.700 -0.195 0.000 0.748 -53 E HN 0.449 nan 8.360 nan 0.000 0.449 -52 A N 0.452 123.236 122.820 -0.061 0.000 1.892 -52 A HA -0.197 4.116 4.320 -0.011 0.000 0.218 -52 A C 2.398 179.977 177.584 -0.008 0.000 1.188 -52 A CA 1.869 53.896 52.037 -0.016 0.000 0.631 -52 A CB -0.799 18.198 19.000 -0.006 0.000 0.822 -52 A HN 0.229 nan 8.150 nan 0.000 0.447 -51 V N 0.397 120.300 119.914 -0.018 0.000 2.307 -51 V HA -0.225 3.888 4.120 -0.011 0.000 0.245 -51 V C 2.363 178.464 176.094 0.012 0.000 1.045 -51 V CA 2.223 64.512 62.300 -0.018 0.000 1.024 -51 V CB -1.189 30.617 31.823 -0.029 0.000 0.651 -51 V HN 0.679 nan 8.190 nan 0.000 0.449 -50 N N 0.249 118.982 118.700 0.055 0.000 2.166 -50 N HA -0.163 4.570 4.740 -0.011 0.000 0.186 -50 N C 1.808 177.381 175.510 0.105 0.000 1.019 -50 N CA 1.114 54.234 53.050 0.116 0.000 0.856 -50 N CB -0.129 38.501 38.487 0.238 0.000 0.993 -50 N HN 0.236 nan 8.380 nan 0.000 0.426 -49 K N 0.325 120.773 120.400 0.080 0.000 2.097 -49 K HA -0.114 4.199 4.320 -0.011 0.000 0.205 -49 K C 1.273 177.898 176.600 0.041 0.000 1.050 -49 K CA 0.948 57.276 56.287 0.069 0.000 0.938 -49 K CB -0.385 32.146 32.500 0.052 0.000 0.718 -49 K HN 0.339 nan 8.250 nan 0.000 0.442 -48 D N 0.329 120.733 120.400 0.007 0.000 2.085 -48 D HA -0.049 4.584 4.640 -0.011 0.000 0.199 -48 D C -0.103 176.180 176.300 -0.028 0.000 0.981 -48 D CA 1.314 55.291 54.000 -0.038 0.000 0.834 -48 D CB 0.455 41.197 40.800 -0.097 0.000 0.992 -48 D HN -0.127 nan 8.370 nan 0.000 0.457 -47 K N 0.106 120.500 120.400 -0.010 0.000 2.501 -47 K HA 0.403 4.716 4.320 -0.011 0.000 0.252 -47 K C -2.711 173.918 176.600 0.049 0.000 0.934 -47 K CA -2.115 54.191 56.287 0.032 0.000 0.797 -47 K CB 1.944 34.463 32.500 0.031 0.000 1.270 -47 K HN -0.087 nan 8.250 nan 0.000 0.431 -46 P HA 0.150 nan 4.420 nan 0.000 0.268 -46 P C 0.570 177.855 177.300 -0.026 0.000 1.204 -46 P CA -0.058 63.057 63.100 0.026 0.000 0.768 -46 P CB 0.626 32.310 31.700 -0.026 0.000 0.842 -45 L N 1.743 122.984 121.223 0.029 0.000 2.375 -45 L HA 0.204 4.537 4.340 -0.011 0.000 0.215 -45 L C 1.393 178.275 176.870 0.021 0.000 1.108 -45 L CA 1.132 55.999 54.840 0.046 0.000 0.830 -45 L CB -0.576 41.535 42.059 0.087 0.000 0.959 -45 L HN 0.760 nan 8.230 nan 0.000 0.457 -44 G N -0.244 108.540 108.800 -0.026 0.000 2.445 -44 G HA2 -0.150 3.804 3.960 -0.011 0.000 0.212 -44 G HA3 -0.150 3.804 3.960 -0.011 0.000 0.212 -44 G C -0.388 174.555 174.900 0.073 0.000 1.217 -44 G CA -0.385 44.708 45.100 -0.011 0.000 1.002 -44 G HN 0.319 nan 8.290 nan 0.000 0.574 -43 A N 0.485 123.359 122.820 0.089 0.000 2.376 -43 A HA 0.676 4.989 4.320 -0.011 0.000 0.298 -43 A C 0.987 178.635 177.584 0.108 0.000 1.271 -43 A CA 0.541 52.638 52.037 0.101 0.000 0.926 -43 A CB -0.498 18.564 19.000 0.104 0.000 1.141 -43 A HN 2.251 nan 8.150 nan 0.000 0.539 -42 V N 0.739 120.726 119.914 0.122 0.000 2.963 -42 V HA 0.408 4.521 4.120 -0.011 0.000 0.306 -42 V C 1.394 177.568 176.094 0.133 0.000 1.077 -42 V CA 0.214 62.592 62.300 0.130 0.000 1.124 -42 V CB 0.206 32.154 31.823 0.209 0.000 0.987 -42 V HN 1.022 nan 8.190 nan 0.000 0.487 -41 A N 3.269 126.111 122.820 0.038 0.000 1.930 -41 A HA 0.055 4.368 4.320 -0.011 0.000 0.217 -41 A C 1.277 178.818 177.584 -0.071 0.000 1.175 -41 A CA 0.894 52.905 52.037 -0.043 0.000 0.627 -41 A CB -0.518 18.343 19.000 -0.233 0.000 0.815 -41 A HN 0.998 nan 8.150 nan 0.000 0.443 -40 L N 1.011 122.200 121.223 -0.056 0.000 2.530 -40 L HA 0.096 4.429 4.340 -0.011 0.000 0.273 -40 L C 1.074 177.865 176.870 -0.131 0.000 1.141 -40 L CA 0.357 55.135 54.840 -0.105 0.000 0.905 -40 L CB 0.224 42.282 42.059 -0.002 0.000 1.202 -40 L HN 0.309 nan 8.230 nan 0.000 0.473 -39 K N 1.675 121.838 120.400 -0.394 0.000 2.063 -39 K HA -0.195 4.118 4.320 -0.011 0.000 0.208 -39 K C 2.015 178.536 176.600 -0.131 0.000 1.048 -39 K CA 1.817 57.779 56.287 -0.541 0.000 0.928 -39 K CB -0.256 31.842 32.500 -0.671 0.000 0.713 -39 K HN 0.890 nan 8.250 nan 0.000 0.442 -38 S N 0.612 116.270 115.700 -0.070 0.000 2.348 -38 S HA -0.233 4.230 4.470 -0.011 0.000 0.221 -38 S C 2.079 176.738 174.600 0.098 0.000 1.033 -38 S CA 1.137 59.348 58.200 0.019 0.000 1.010 -38 S CB -0.766 62.448 63.200 0.024 0.000 0.891 -38 S HN 0.365 nan 8.310 nan 0.000 0.442 -37 Y N 2.619 122.913 120.300 -0.009 0.000 2.439 -37 Y HA 0.096 4.643 4.550 -0.005 0.000 0.292 -37 Y C 2.393 178.323 175.900 0.051 0.000 1.130 -37 Y CA 1.173 59.285 58.100 0.019 0.000 1.254 -37 Y CB -0.425 38.044 38.460 0.015 0.000 1.000 -37 Y HN 0.373 nan 8.280 nan 0.000 0.554 -36 E N 0.797 121.021 120.200 0.040 0.000 2.072 -36 E HA -0.196 4.147 4.350 -0.011 0.000 0.191 -36 E C 1.797 178.404 176.600 0.013 0.000 0.985 -36 E CA 1.947 58.376 56.400 0.049 0.000 0.801 -36 E CB -0.265 29.612 29.700 0.295 0.000 0.750 -36 E HN 0.579 nan 8.360 nan 0.000 0.452 -35 E N 0.276 120.504 120.200 0.046 0.000 2.219 -35 E HA -0.217 4.126 4.350 -0.011 0.000 0.198 -35 E C 2.014 178.599 176.600 -0.025 0.000 0.998 -35 E CA 1.335 57.755 56.400 0.034 0.000 0.818 -35 E CB -0.064 29.663 29.700 0.045 0.000 0.741 -35 E HN 0.439 nan 8.360 nan 0.000 0.477 -34 E N 0.389 120.534 120.200 -0.091 0.000 2.016 -34 E HA -0.126 4.217 4.350 -0.011 0.000 0.190 -34 E C 2.149 178.661 176.600 -0.147 0.000 0.985 -34 E CA 0.783 57.106 56.400 -0.128 0.000 0.802 -34 E CB -0.063 29.523 29.700 -0.189 0.000 0.762 -34 E HN 0.265 nan 8.360 nan 0.000 0.448 -33 L N 0.580 121.660 121.223 -0.238 0.000 2.275 -33 L HA -0.064 4.269 4.340 -0.011 0.000 0.215 -33 L C 2.259 179.100 176.870 -0.048 0.000 1.119 -33 L CA 0.457 55.212 54.840 -0.142 0.000 0.790 -33 L CB -0.427 41.534 42.059 -0.165 0.000 0.919 -33 L HN 0.080 nan 8.230 nan 0.000 0.443 -32 A N 0.016 122.813 122.820 -0.039 0.000 2.255 -32 A HA -0.064 4.249 4.320 -0.011 0.000 0.206 -32 A C 1.961 179.536 177.584 -0.015 0.000 1.193 -32 A CA 0.772 52.804 52.037 -0.008 0.000 0.794 -32 A CB -0.300 18.707 19.000 0.010 0.000 0.794 -32 A HN 0.389 nan 8.150 nan 0.000 0.481 -31 K N -0.370 120.014 120.400 -0.025 0.000 2.360 -31 K HA 0.044 4.357 4.320 -0.011 0.000 0.196 -31 K C -0.296 176.283 176.600 -0.035 0.000 1.049 -31 K CA -0.145 56.126 56.287 -0.027 0.000 1.049 -31 K CB 0.333 32.818 32.500 -0.026 0.000 0.881 -31 K HN 0.331 nan 8.250 nan 0.000 0.542 -30 D N 2.575 122.956 120.400 -0.033 0.000 2.358 -30 D HA 0.039 4.672 4.640 -0.011 0.000 0.258 -30 D C -1.844 174.418 176.300 -0.064 0.000 1.223 -30 D CA -2.142 51.831 54.000 -0.046 0.000 0.886 -30 D CB 1.492 42.284 40.800 -0.013 0.000 1.120 -30 D HN -0.155 nan 8.370 nan 0.000 0.482 -29 P HA -0.119 nan 4.420 nan 0.000 0.218 -29 P C 1.059 178.266 177.300 -0.155 0.000 1.148 -29 P CA 1.163 64.191 63.100 -0.120 0.000 0.822 -29 P CB 0.225 31.835 31.700 -0.150 0.000 0.784 -28 R N -1.069 119.274 120.500 -0.261 0.000 2.115 -28 R HA -0.037 4.296 4.340 -0.011 0.000 0.230 -28 R C 2.121 178.386 176.300 -0.058 0.000 1.111 -28 R CA 0.939 56.777 56.100 -0.437 0.000 0.976 -28 R CB -0.721 28.923 30.300 -1.093 0.000 0.870 -28 R HN 0.193 nan 8.270 nan 0.000 0.445 -27 I N 1.010 121.633 120.570 0.090 0.000 2.163 -27 I HA -0.177 3.986 4.170 -0.011 0.000 0.240 -27 I C 2.598 178.777 176.117 0.104 0.000 1.081 -27 I CA 1.282 62.703 61.300 0.203 0.000 1.353 -27 I CB -1.435 36.651 38.000 0.144 0.000 1.054 -27 I HN 0.126 nan 8.210 nan 0.000 0.407 -26 A N 1.142 123.981 122.820 0.032 0.000 1.927 -26 A HA -0.259 4.054 4.320 -0.011 0.000 0.220 -26 A C 2.516 180.109 177.584 0.016 0.000 1.185 -26 A CA 2.645 54.687 52.037 0.008 0.000 0.639 -26 A CB -0.887 18.101 19.000 -0.019 0.000 0.820 -26 A HN 0.465 nan 8.150 nan 0.000 0.451 -25 A N -1.916 120.914 122.820 0.017 0.000 1.968 -25 A HA 0.020 4.333 4.320 -0.011 0.000 0.217 -25 A C 2.259 179.884 177.584 0.068 0.000 1.169 -25 A CA 2.041 54.093 52.037 0.025 0.000 0.638 -25 A CB -0.966 18.037 19.000 0.005 0.000 0.812 -25 A HN 0.433 nan 8.150 nan 0.000 0.446 -24 T N -0.049 114.581 114.554 0.127 0.000 2.777 -24 T HA -0.095 4.248 4.350 -0.011 0.000 0.266 -24 T C 1.979 176.733 174.700 0.091 0.000 1.040 -24 T CA 1.489 63.675 62.100 0.144 0.000 1.141 -24 T CB -0.227 68.771 68.868 0.215 0.000 0.868 -24 T HN 0.257 nan 8.240 nan 0.000 0.444 -23 M N 1.056 120.699 119.600 0.070 0.000 2.117 -23 M HA -0.008 4.465 4.480 -0.011 0.000 0.262 -23 M C 2.247 178.551 176.300 0.008 0.000 1.065 -23 M CA 1.307 56.626 55.300 0.030 0.000 1.114 -23 M CB -1.062 31.543 32.600 0.008 0.000 1.361 -23 M HN 0.348 nan 8.290 nan 0.000 0.408 -22 E N 0.191 120.397 120.200 0.009 0.000 2.077 -22 E HA -0.195 4.149 4.350 -0.011 0.000 0.193 -22 E C 1.727 178.331 176.600 0.007 0.000 0.989 -22 E CA 0.979 57.377 56.400 -0.003 0.000 0.800 -22 E CB 0.130 29.826 29.700 -0.006 0.000 0.746 -22 E HN 0.433 nan 8.360 nan 0.000 0.452 -21 N N -0.072 118.644 118.700 0.026 0.000 2.331 -21 N HA -0.086 4.647 4.740 -0.011 0.000 0.180 -21 N C 1.492 177.031 175.510 0.049 0.000 1.019 -21 N CA 0.959 54.030 53.050 0.035 0.000 0.881 -21 N CB -0.018 38.496 38.487 0.046 0.000 0.972 -21 N HN 0.183 nan 8.380 nan 0.000 0.435 -20 A N 1.298 124.150 122.820 0.053 0.000 1.897 -20 A HA -0.102 4.211 4.320 -0.011 0.000 0.215 -20 A C 2.066 179.668 177.584 0.030 0.000 1.181 -20 A CA 0.916 52.992 52.037 0.066 0.000 0.620 -20 A CB -0.283 18.760 19.000 0.071 0.000 0.821 -20 A HN 0.165 nan 8.150 nan 0.000 0.443 -19 Q N 0.286 120.081 119.800 -0.010 0.000 2.170 -19 Q HA -0.135 4.198 4.340 -0.011 0.000 0.203 -19 Q C 1.488 177.483 176.000 -0.008 0.000 0.976 -19 Q CA 1.457 57.240 55.803 -0.034 0.000 0.858 -19 Q CB -0.331 28.376 28.738 -0.052 0.000 0.907 -19 Q HN 0.681 nan 8.270 nan 0.000 0.433 -18 K N 0.120 120.525 120.400 0.008 0.000 2.400 -18 K HA 0.113 4.426 4.320 -0.011 0.000 0.194 -18 K C 1.115 177.733 176.600 0.031 0.000 1.033 -18 K CA 0.389 56.684 56.287 0.013 0.000 1.021 -18 K CB 0.407 32.912 32.500 0.009 0.000 0.808 -18 K HN 0.095 nan 8.250 nan 0.000 0.505 -17 G N 1.840 110.674 108.800 0.055 0.000 2.531 -17 G HA2 0.198 4.151 3.960 -0.011 0.000 0.281 -17 G HA3 0.198 4.151 3.960 -0.011 0.000 0.281 -17 G C -0.931 174.047 174.900 0.129 0.000 1.382 -17 G CA -0.495 44.660 45.100 0.092 0.000 1.045 -17 G HN 0.199 nan 8.290 nan 0.000 0.533 -16 E N -1.285 119.045 120.200 0.216 0.000 2.234 -16 E HA 0.459 4.802 4.350 -0.011 0.000 0.266 -16 E C -0.947 175.905 176.600 0.421 0.000 0.877 -16 E CA -0.927 55.643 56.400 0.284 0.000 0.758 -16 E CB 2.367 32.261 29.700 0.322 0.000 1.170 -16 E HN 0.439 nan 8.360 nan 0.000 0.415 -15 I N 3.408 124.171 120.570 0.321 0.000 2.587 -15 I HA 0.044 4.207 4.170 -0.011 0.000 0.284 -15 I C 0.123 176.465 176.117 0.375 0.000 1.134 -15 I CA -0.122 61.387 61.300 0.349 0.000 1.410 -15 I CB 0.302 38.443 38.000 0.234 0.000 1.392 -15 I HN 0.678 nan 8.210 nan 0.000 0.545 -14 M N 9.392 129.189 119.600 0.328 0.000 2.255 -14 M HA 0.066 4.539 4.480 -0.011 0.000 0.356 -14 M C -2.070 174.228 176.300 -0.004 0.000 1.338 -14 M CA -0.937 54.307 55.300 -0.093 0.000 0.962 -14 M CB -0.285 32.127 32.600 -0.313 0.000 1.877 -14 M HN 0.405 nan 8.290 nan 0.000 0.463 -13 P HA -0.008 nan 4.420 nan 0.000 0.265 -13 P C -0.384 176.779 177.300 -0.228 0.000 1.193 -13 P CA 0.102 62.953 63.100 -0.415 0.000 0.765 -13 P CB 0.315 31.442 31.700 -0.955 0.000 0.823 -12 N N 2.715 121.420 118.700 0.008 0.000 2.251 -12 N HA 0.042 4.775 4.740 -0.011 0.000 0.217 -12 N C 0.291 175.816 175.510 0.024 0.000 1.124 -12 N CA -0.318 52.755 53.050 0.038 0.000 0.843 -12 N CB -0.837 37.797 38.487 0.246 0.000 1.024 -12 N HN 0.381 nan 8.380 nan 0.000 0.501 -11 I N -3.258 117.285 120.570 -0.044 0.000 2.882 -11 I HA 0.324 4.487 4.170 -0.011 0.000 0.286 -11 I C -1.560 174.464 176.117 -0.156 0.000 1.139 -11 I CA -1.823 59.470 61.300 -0.013 0.000 1.379 -11 I CB 0.510 38.425 38.000 -0.141 0.000 1.410 -11 I HN -0.296 nan 8.210 nan 0.000 0.594 -10 P HA -0.140 nan 4.420 nan 0.000 0.218 -10 P C 1.017 178.229 177.300 -0.148 0.000 1.148 -10 P CA 1.286 64.302 63.100 -0.139 0.000 0.822 -10 P CB 0.010 31.666 31.700 -0.073 0.000 0.784 -9 Q N -1.796 117.888 119.800 -0.193 0.000 2.541 -9 Q HA -0.016 4.317 4.340 -0.011 0.000 0.215 -9 Q C 1.796 177.740 176.000 -0.095 0.000 0.977 -9 Q CA 0.813 56.516 55.803 -0.165 0.000 0.934 -9 Q CB -0.756 27.822 28.738 -0.267 0.000 0.988 -9 Q HN 0.215 nan 8.270 nan 0.000 0.521 -8 M N -0.612 118.893 119.600 -0.158 0.000 2.132 -8 M HA -0.124 4.349 4.480 -0.011 0.000 0.263 -8 M C 1.952 178.156 176.300 -0.160 0.000 1.065 -8 M CA 1.672 56.877 55.300 -0.159 0.000 1.122 -8 M CB -1.047 31.444 32.600 -0.182 0.000 1.365 -8 M HN 0.266 nan 8.290 nan 0.000 0.411 -7 S N 0.657 116.256 115.700 -0.167 0.000 2.399 -7 S HA -0.063 4.400 4.470 -0.011 0.000 0.231 -7 S C 2.109 176.228 174.600 -0.803 0.000 1.022 -7 S CA 1.178 59.136 58.200 -0.403 0.000 0.983 -7 S CB -0.789 62.194 63.200 -0.361 0.000 0.803 -7 S HN 0.476 nan 8.310 nan 0.000 0.480 -6 A N 1.522 124.126 122.820 -0.360 0.000 1.898 -6 A HA 0.058 4.371 4.320 -0.011 0.000 0.216 -6 A C 1.901 179.425 177.584 -0.101 0.000 1.181 -6 A CA 1.349 53.285 52.037 -0.168 0.000 0.620 -6 A CB -1.002 17.999 19.000 0.001 0.000 0.819 -6 A HN 0.518 nan 8.150 nan 0.000 0.442 -5 F N -0.619 119.181 119.950 -0.251 0.000 2.095 -5 F HA -0.209 4.311 4.527 -0.012 0.000 0.298 -5 F C 2.004 177.603 175.800 -0.335 0.000 1.104 -5 F CA 1.801 59.588 58.000 -0.355 0.000 1.232 -5 F CB -0.538 38.140 39.000 -0.537 0.000 0.987 -5 F HN 0.412 nan 8.300 nan 0.000 0.475 -4 W N -0.491 120.658 121.300 -0.253 0.000 2.354 -4 W HA -0.226 4.427 4.660 -0.012 0.000 0.315 -4 W C 2.547 179.015 176.519 -0.085 0.000 1.206 -4 W CA 1.593 58.792 57.345 -0.244 0.000 1.290 -4 W CB -1.117 28.278 29.460 -0.107 0.000 1.152 -4 W HN 0.086 nan 8.180 nan 0.000 0.489 -3 Y N 0.066 120.455 120.300 0.148 0.000 2.165 -3 Y HA -0.278 4.265 4.550 -0.011 0.000 0.286 -3 Y C 2.588 178.493 175.900 0.009 0.000 1.155 -3 Y CA 0.393 58.537 58.100 0.074 0.000 1.164 -3 Y CB -1.062 37.434 38.460 0.061 0.000 0.978 -3 Y HN -0.032 nan 8.280 nan 0.000 0.513 -2 A N 0.022 122.890 122.820 0.081 0.000 1.877 -2 A HA -0.145 4.168 4.320 -0.011 0.000 0.216 -2 A C 2.308 179.854 177.584 -0.063 0.000 1.186 -2 A CA 1.941 53.972 52.037 -0.010 0.000 0.620 -2 A CB -1.099 17.862 19.000 -0.065 0.000 0.822 -2 A HN 0.259 nan 8.150 nan 0.000 0.443 -1 V N -0.312 119.487 119.914 -0.191 0.000 2.719 -1 V HA -0.145 3.968 4.120 -0.011 0.000 0.252 -1 V C 2.533 178.650 176.094 0.039 0.000 1.065 -1 V CA 1.879 64.090 62.300 -0.148 0.000 1.086 -1 V CB -0.789 30.794 31.823 -0.401 0.000 0.700 -1 V HN 0.630 nan 8.190 nan 0.000 0.467 0 R N 0.290 120.852 120.500 0.103 0.000 2.064 0 R HA -0.161 4.172 4.340 -0.011 0.000 0.228 0 R C 2.470 178.827 176.300 0.096 0.000 1.144 0 R CA 2.216 58.402 56.100 0.143 0.000 0.932 0 R CB -0.703 29.706 30.300 0.182 0.000 0.833 0 R HN 0.468 nan 8.270 nan 0.000 0.429 1 T N 1.000 115.603 114.554 0.081 0.000 2.620 1 T HA -0.298 4.045 4.350 -0.011 0.000 0.267 1 T C 1.818 176.544 174.700 0.043 0.000 1.044 1 T CA 1.966 64.099 62.100 0.054 0.000 1.161 1 T CB -0.574 68.323 68.868 0.049 0.000 0.862 1 T HN 0.542 nan 8.240 nan 0.000 0.438 2 A N 0.630 123.472 122.820 0.038 0.000 1.865 2 A HA -0.086 4.227 4.320 -0.011 0.000 0.217 2 A C 2.649 180.257 177.584 0.039 0.000 1.191 2 A CA 1.873 53.929 52.037 0.031 0.000 0.623 2 A CB -1.075 17.938 19.000 0.022 0.000 0.826 2 A HN 0.376 nan 8.150 nan 0.000 0.444 3 V N -0.026 119.924 119.914 0.059 0.000 2.358 3 V HA -0.233 3.880 4.120 -0.011 0.000 0.246 3 V C 2.423 178.546 176.094 0.048 0.000 1.047 3 V CA 1.848 64.186 62.300 0.064 0.000 1.035 3 V CB -0.650 31.238 31.823 0.108 0.000 0.658 3 V HN 0.554 nan 8.190 nan 0.000 0.452 4 I N 0.552 121.153 120.570 0.052 0.000 2.127 4 I HA -0.260 3.903 4.170 -0.011 0.000 0.241 4 I C 2.363 178.494 176.117 0.023 0.000 1.075 4 I CA 1.678 63.001 61.300 0.037 0.000 1.334 4 I CB -0.424 37.601 38.000 0.042 0.000 1.040 4 I HN 0.360 nan 8.210 nan 0.000 0.405 5 N N 0.855 119.568 118.700 0.023 0.000 2.188 5 N HA -0.106 4.627 4.740 -0.011 0.000 0.184 5 N C 1.772 177.288 175.510 0.010 0.000 1.018 5 N CA 1.487 54.546 53.050 0.015 0.000 0.858 5 N CB -0.367 38.129 38.487 0.015 0.000 0.989 5 N HN 0.367 nan 8.380 nan 0.000 0.426 6 A N 0.623 123.451 122.820 0.012 0.000 1.872 6 A HA 0.140 4.453 4.320 -0.011 0.000 0.214 6 A C 2.267 179.851 177.584 -0.001 0.000 1.187 6 A CA 1.706 53.746 52.037 0.006 0.000 0.614 6 A CB -0.813 18.191 19.000 0.007 0.000 0.826 6 A HN 0.284 nan 8.150 nan 0.000 0.442 7 A N 0.077 122.897 122.820 -0.000 0.000 1.968 7 A HA -0.013 4.300 4.320 -0.011 0.000 0.217 7 A C 2.479 180.057 177.584 -0.010 0.000 1.169 7 A CA 2.105 54.137 52.037 -0.009 0.000 0.638 7 A CB -0.731 18.262 19.000 -0.012 0.000 0.812 7 A HN 0.898 nan 8.150 nan 0.000 0.446 8 S N -1.996 113.702 115.700 -0.004 0.000 2.377 8 S HA 0.336 4.799 4.470 -0.011 0.000 0.223 8 S C 1.558 176.155 174.600 -0.005 0.000 1.030 8 S CA 1.603 59.800 58.200 -0.005 0.000 0.970 8 S CB -0.163 63.037 63.200 -0.001 0.000 0.830 8 S HN 1.763 nan 8.310 nan 0.000 0.473 9 G N 0.722 109.520 108.800 -0.003 0.000 2.260 9 G HA2 -0.173 3.780 3.960 -0.011 0.000 0.179 9 G HA3 -0.173 3.780 3.960 -0.011 0.000 0.179 9 G C 0.865 175.765 174.900 -0.000 0.000 1.002 9 G CA 0.196 45.294 45.100 -0.003 0.000 0.677 9 G HN 0.412 nan 8.290 nan 0.000 0.486 10 R N -0.062 120.439 120.500 0.001 0.000 2.154 10 R HA -0.001 4.332 4.340 -0.011 0.000 0.248 10 R C 1.147 177.449 176.300 0.004 0.000 1.155 10 R CA 1.825 57.927 56.100 0.003 0.000 0.979 10 R CB -0.020 30.283 30.300 0.004 0.000 0.869 10 R HN 0.537 nan 8.270 nan 0.000 0.452 11 Q N -1.257 118.546 119.800 0.005 0.000 2.416 11 Q HA 0.181 4.514 4.340 -0.011 0.000 0.281 11 Q C -1.124 174.879 176.000 0.005 0.000 1.067 11 Q CA -0.652 55.155 55.803 0.006 0.000 0.809 11 Q CB 2.515 31.258 28.738 0.008 0.000 1.418 11 Q HN 0.112 nan 8.270 nan 0.000 0.411 12 T N -2.109 112.448 114.554 0.006 0.000 2.913 12 T HA 0.150 4.493 4.350 -0.011 0.000 0.297 12 T C 1.372 176.076 174.700 0.006 0.000 1.029 12 T CA -0.627 61.476 62.100 0.005 0.000 1.104 12 T CB 0.757 69.629 68.868 0.007 0.000 0.964 12 T HN 0.360 nan 8.240 nan 0.000 0.532 13 V N 2.095 122.012 119.914 0.005 0.000 2.313 13 V HA -0.245 3.868 4.120 -0.011 0.000 0.253 13 V C 2.461 178.559 176.094 0.007 0.000 1.070 13 V CA 2.385 64.688 62.300 0.005 0.000 1.057 13 V CB -0.734 31.090 31.823 0.003 0.000 0.653 13 V HN 0.933 nan 8.190 nan 0.000 0.450 14 D N -0.645 119.761 120.400 0.009 0.000 2.117 14 D HA -0.167 4.466 4.640 -0.011 0.000 0.198 14 D C 2.111 178.417 176.300 0.010 0.000 0.982 14 D CA 1.324 55.330 54.000 0.010 0.000 0.828 14 D CB -0.056 40.751 40.800 0.012 0.000 0.967 14 D HN 0.568 nan 8.370 nan 0.000 0.464 15 E N 1.006 121.213 120.200 0.010 0.000 2.077 15 E HA -0.123 4.220 4.350 -0.011 0.000 0.193 15 E C 2.210 178.816 176.600 0.011 0.000 0.989 15 E CA 0.899 57.305 56.400 0.011 0.000 0.800 15 E CB -0.027 29.679 29.700 0.010 0.000 0.746 15 E HN 0.166 nan 8.360 nan 0.000 0.452 16 A N 0.826 123.653 122.820 0.011 0.000 1.908 16 A HA -0.188 4.125 4.320 -0.011 0.000 0.218 16 A C 2.141 179.732 177.584 0.013 0.000 1.181 16 A CA 1.225 53.269 52.037 0.013 0.000 0.627 16 A CB -0.593 18.415 19.000 0.013 0.000 0.818 16 A HN 0.166 nan 8.150 nan 0.000 0.445 17 L N -1.169 120.061 121.223 0.011 0.000 2.131 17 L HA -0.085 4.248 4.340 -0.011 0.000 0.206 17 L C 2.579 179.454 176.870 0.009 0.000 1.087 17 L CA 1.518 56.364 54.840 0.010 0.000 0.767 17 L CB -0.329 41.735 42.059 0.007 0.000 0.917 17 L HN 0.423 nan 8.230 nan 0.000 0.441 18 K N 0.115 120.521 120.400 0.010 0.000 2.147 18 K HA -0.191 4.122 4.320 -0.011 0.000 0.205 18 K C 1.431 178.040 176.600 0.014 0.000 1.049 18 K CA 1.517 57.812 56.287 0.012 0.000 0.936 18 K CB 0.122 32.630 32.500 0.013 0.000 0.722 18 K HN 0.230 nan 8.250 nan 0.000 0.446 19 D N 0.124 120.533 120.400 0.014 0.000 2.162 19 D HA -0.058 4.576 4.640 -0.011 0.000 0.203 19 D C 1.705 178.015 176.300 0.016 0.000 0.967 19 D CA 1.129 55.139 54.000 0.016 0.000 0.840 19 D CB -0.109 40.701 40.800 0.016 0.000 0.972 19 D HN 0.294 nan 8.370 nan 0.000 0.482 20 A N 0.777 123.602 122.820 0.009 0.000 1.930 20 A HA -0.221 4.092 4.320 -0.011 0.000 0.217 20 A C 2.131 179.715 177.584 -0.000 0.000 1.175 20 A CA 1.762 53.797 52.037 -0.003 0.000 0.627 20 A CB -0.591 18.400 19.000 -0.015 0.000 0.815 20 A HN 0.147 nan 8.150 nan 0.000 0.443 21 Q N 0.126 119.929 119.800 0.005 0.000 2.077 21 Q HA -0.160 4.173 4.340 -0.011 0.000 0.206 21 Q C 1.917 177.930 176.000 0.022 0.000 0.989 21 Q CA 2.959 58.766 55.803 0.006 0.000 0.853 21 Q CB -1.010 27.731 28.738 0.006 0.000 0.907 21 Q HN 0.551 nan 8.270 nan 0.000 0.418 22 T N 0.692 115.262 114.554 0.026 0.000 2.857 22 T HA -0.037 4.306 4.350 -0.011 0.000 0.266 22 T C 1.417 176.141 174.700 0.040 0.000 1.048 22 T CA 1.150 63.270 62.100 0.034 0.000 1.139 22 T CB -0.298 68.587 68.868 0.029 0.000 0.874 22 T HN 0.328 nan 8.240 nan 0.000 0.455 23 N N 1.895 120.617 118.700 0.037 0.000 2.080 23 N HA 0.064 4.797 4.740 -0.011 0.000 0.189 23 N C 2.187 177.734 175.510 0.062 0.000 1.036 23 N CA 1.381 54.459 53.050 0.047 0.000 0.846 23 N CB -0.855 37.659 38.487 0.046 0.000 1.015 23 N HN 0.411 nan 8.380 nan 0.000 0.423 24 A N 0.835 123.688 122.820 0.055 0.000 1.902 24 A HA 0.163 4.476 4.320 -0.011 0.000 0.217 24 A C 1.183 178.867 177.584 0.166 0.000 1.181 24 A CA 1.213 53.309 52.037 0.098 0.000 0.623 24 A CB -0.881 18.162 19.000 0.072 0.000 0.818 24 A HN 0.347 nan 8.150 nan 0.000 0.443 25 A N -0.175 122.719 122.820 0.123 0.000 2.404 25 A HA 0.581 4.894 4.320 -0.011 0.000 0.273 25 A C 0.341 178.004 177.584 0.132 0.000 1.144 25 A CA 0.270 52.407 52.037 0.166 0.000 0.806 25 A CB -0.273 18.795 19.000 0.113 0.000 1.080 25 A HN 1.249 nan 8.150 nan 0.000 0.509 26 A N 3.269 126.176 122.820 0.145 0.000 2.324 26 A HA 0.606 4.919 4.320 -0.011 0.000 0.330 26 A C -0.005 177.606 177.584 0.046 0.000 1.165 26 A CA -0.652 51.422 52.037 0.062 0.000 0.813 26 A CB 0.316 19.333 19.000 0.030 0.000 1.197 26 A HN 0.861 nan 8.150 nan 0.000 0.484 27 E N 1.061 121.248 120.200 -0.021 0.000 2.398 27 E HA 0.319 4.662 4.350 -0.011 0.000 0.263 27 E C -0.239 176.258 176.600 -0.172 0.000 1.046 27 E CA -0.006 56.352 56.400 -0.070 0.000 0.908 27 E CB 0.262 29.851 29.700 -0.185 0.000 0.963 27 E HN 0.561 nan 8.360 nan 0.000 0.431 28 F N -0.125 119.842 119.950 0.029 0.000 2.613 28 F HA -0.111 4.409 4.527 -0.012 0.000 0.373 28 F C 0.052 175.858 175.800 0.010 0.000 1.085 28 F CA -0.659 57.350 58.000 0.015 0.000 1.309 28 F CB -0.127 38.880 39.000 0.012 0.000 0.986 28 F HN 0.325 nan 8.300 nan 0.000 0.592 29 D N 2.834 123.296 120.400 0.104 0.000 2.488 29 D HA 0.024 4.658 4.640 -0.011 0.000 0.238 29 D C 0.763 177.169 176.300 0.177 0.000 1.138 29 D CA 0.833 54.863 54.000 0.050 0.000 0.873 29 D CB 0.606 41.438 40.800 0.053 0.000 1.183 29 D HN 0.732 nan 8.370 nan 0.000 0.458 30 D N 0.833 121.281 120.400 0.080 0.000 2.348 30 D HA -0.071 4.562 4.640 -0.011 0.000 0.211 30 D C 0.195 176.556 176.300 0.102 0.000 0.998 30 D CA -0.059 54.047 54.000 0.176 0.000 0.873 30 D CB -0.004 40.869 40.800 0.122 0.000 0.925 30 D HN 0.141 nan 8.370 nan 0.000 0.524 31 V N 1.647 121.583 119.914 0.037 0.000 2.585 31 V HA -0.001 4.112 4.120 -0.011 0.000 0.296 31 V C 0.695 176.717 176.094 -0.119 0.000 1.035 31 V CA -0.190 62.077 62.300 -0.055 0.000 1.084 31 V CB 0.817 32.620 31.823 -0.034 0.000 0.953 31 V HN 0.325 nan 8.190 nan 0.000 0.483 32 M N 5.838 125.244 119.600 -0.323 0.000 2.188 32 M HA 0.246 4.719 4.480 -0.011 0.000 0.354 32 M C 0.532 176.707 176.300 -0.209 0.000 1.342 32 M CA -0.110 55.018 55.300 -0.287 0.000 1.117 32 M CB 0.825 33.151 32.600 -0.457 0.000 1.670 32 M HN 0.922 nan 8.290 nan 0.000 0.466 33 T N 1.361 115.852 114.554 -0.105 0.000 2.918 33 T HA 0.260 4.603 4.350 -0.011 0.000 0.283 33 T C 0.915 175.579 174.700 -0.059 0.000 1.001 33 T CA -0.730 61.326 62.100 -0.072 0.000 1.041 33 T CB 1.393 70.231 68.868 -0.050 0.000 1.028 33 T HN 0.894 nan 8.240 nan 0.000 0.511 34 K N 0.549 120.921 120.400 -0.046 0.000 2.044 34 K HA -0.241 4.072 4.320 -0.011 0.000 0.210 34 K C 2.123 178.708 176.600 -0.025 0.000 1.049 34 K CA 2.080 58.347 56.287 -0.033 0.000 0.927 34 K CB -0.275 32.208 32.500 -0.028 0.000 0.713 34 K HN 0.872 nan 8.250 nan 0.000 0.443 35 E N 0.501 120.685 120.200 -0.026 0.000 2.049 35 E HA -0.254 4.089 4.350 -0.011 0.000 0.198 35 E C 1.733 178.345 176.600 0.019 0.000 1.007 35 E CA 2.127 58.519 56.400 -0.014 0.000 0.809 35 E CB 0.045 29.723 29.700 -0.037 0.000 0.749 35 E HN 0.415 nan 8.360 nan 0.000 0.450 36 E N -0.155 120.054 120.200 0.015 0.000 2.077 36 E HA -0.254 4.089 4.350 -0.011 0.000 0.193 36 E C 2.137 178.795 176.600 0.097 0.000 0.989 36 E CA 1.222 57.665 56.400 0.071 0.000 0.800 36 E CB -0.111 29.607 29.700 0.031 0.000 0.746 36 E HN 0.192 nan 8.360 nan 0.000 0.452 37 Q N 1.150 120.967 119.800 0.028 0.000 2.124 37 Q HA -0.134 4.199 4.340 -0.011 0.000 0.202 37 Q C 1.883 177.871 176.000 -0.020 0.000 0.977 37 Q CA 1.392 57.205 55.803 0.016 0.000 0.850 37 Q CB -0.168 28.566 28.738 -0.006 0.000 0.901 37 Q HN 0.338 nan 8.270 nan 0.000 0.429 38 I N -0.157 120.385 120.570 -0.046 0.000 2.315 38 I HA -0.186 3.977 4.170 -0.011 0.000 0.248 38 I C 1.848 177.820 176.117 -0.241 0.000 1.117 38 I CA 0.762 61.956 61.300 -0.178 0.000 1.404 38 I CB -0.280 37.637 38.000 -0.139 0.000 1.071 38 I HN 0.264 nan 8.210 nan 0.000 0.419 39 F N 1.605 121.463 119.950 -0.153 0.000 2.134 39 F HA -0.209 4.311 4.527 -0.011 0.000 0.299 39 F C 2.095 177.842 175.800 -0.087 0.000 1.097 39 F CA 1.670 59.627 58.000 -0.072 0.000 1.264 39 F CB -0.441 38.538 39.000 -0.035 0.000 1.001 39 F HN -0.098 nan 8.300 nan 0.000 0.479 40 L N -0.346 120.705 121.223 -0.287 0.000 2.131 40 L HA -0.222 4.111 4.340 -0.011 0.000 0.210 40 L C 2.507 179.149 176.870 -0.380 0.000 1.092 40 L CA 0.997 55.613 54.840 -0.374 0.000 0.759 40 L CB -0.720 41.269 42.059 -0.117 0.000 0.903 40 L HN 0.225 nan 8.230 nan 0.000 0.435 41 L N -1.279 119.800 121.223 -0.241 0.000 2.093 41 L HA -0.192 4.141 4.340 -0.011 0.000 0.208 41 L C 2.714 179.480 176.870 -0.172 0.000 1.085 41 L CA 0.765 55.526 54.840 -0.131 0.000 0.755 41 L CB -0.574 41.461 42.059 -0.040 0.000 0.904 41 L HN 0.336 nan 8.230 nan 0.000 0.435 42 H N -0.689 118.272 119.070 -0.183 0.000 2.395 42 H HA -0.056 4.493 4.556 -0.012 0.000 0.299 42 H C 2.250 177.354 175.328 -0.374 0.000 1.070 42 H CA 0.982 56.887 56.048 -0.237 0.000 1.356 42 H CB -0.059 29.640 29.762 -0.104 0.000 1.401 42 H HN 0.179 nan 8.280 nan 0.000 0.524 43 R N 0.297 120.580 120.500 -0.361 0.000 2.237 43 R HA 0.010 4.343 4.340 -0.011 0.000 0.219 43 R C 2.015 178.064 176.300 -0.419 0.000 1.080 43 R CA 0.769 56.611 56.100 -0.431 0.000 0.995 43 R CB 0.167 30.088 30.300 -0.632 0.000 0.875 43 R HN 0.256 nan 8.270 nan 0.000 0.462 44 A N -0.264 122.253 122.820 -0.504 0.000 1.984 44 A HA -0.090 4.223 4.320 -0.011 0.000 0.214 44 A C 1.906 179.134 177.584 -0.593 0.000 1.173 44 A CA 0.404 52.129 52.037 -0.519 0.000 0.673 44 A CB -0.178 18.341 19.000 -0.801 0.000 0.830 44 A HN 0.346 nan 8.150 nan 0.000 0.453 45 Q N -0.038 119.129 119.800 -1.054 0.000 2.050 45 Q HA -0.158 4.175 4.340 -0.011 0.000 0.202 45 Q C 2.179 177.739 176.000 -0.732 0.000 0.980 45 Q CA 1.752 56.596 55.803 -1.599 0.000 0.840 45 Q CB -0.367 27.512 28.738 -1.431 0.000 0.898 45 Q HN 0.581 nan 8.270 nan 0.000 0.424 46 A N 0.787 123.326 122.820 -0.470 0.000 1.873 46 A HA -0.297 4.017 4.320 -0.011 0.000 0.218 46 A C 1.998 179.451 177.584 -0.217 0.000 1.193 46 A CA 1.882 53.749 52.037 -0.283 0.000 0.629 46 A CB -0.922 17.946 19.000 -0.220 0.000 0.826 46 A HN 0.596 nan 8.150 nan 0.000 0.447 47 Q N -1.379 118.292 119.800 -0.216 0.000 2.364 47 Q HA -0.173 4.160 4.340 -0.011 0.000 0.209 47 Q C 2.117 178.070 176.000 -0.078 0.000 0.977 47 Q CA 1.352 57.078 55.803 -0.128 0.000 0.885 47 Q CB -0.317 28.351 28.738 -0.118 0.000 0.941 47 Q HN 0.768 nan 8.270 nan 0.000 0.464 48 c N 0.641 119.175 118.600 -0.111 0.000 2.522 48 c HA -0.030 4.534 4.570 -0.011 0.000 0.280 48 c C 2.251 176.335 174.090 -0.009 0.000 1.303 48 c CA 0.423 56.751 56.329 -0.002 0.000 1.709 48 c CB -0.457 42.106 42.510 0.089 0.000 2.071 48 c HN 0.535 nan 8.230 nan 0.000 0.492 49 E N 1.004 121.153 120.200 -0.086 0.000 2.086 49 E HA -0.301 4.042 4.350 -0.011 0.000 0.200 49 E C 2.018 178.604 176.600 -0.023 0.000 1.012 49 E CA 1.336 57.705 56.400 -0.052 0.000 0.812 49 E CB -0.618 29.029 29.700 -0.089 0.000 0.743 49 E HN 0.669 nan 8.360 nan 0.000 0.453 50 K N 0.808 121.184 120.400 -0.039 0.000 2.032 50 K HA -0.124 4.189 4.320 -0.011 0.000 0.209 50 K C 2.333 178.936 176.600 0.006 0.000 1.048 50 K CA 1.095 57.369 56.287 -0.021 0.000 0.927 50 K CB 0.025 32.504 32.500 -0.034 0.000 0.712 50 K HN -0.023 nan 8.250 nan 0.000 0.441 51 R N 0.269 120.781 120.500 0.020 0.000 2.148 51 R HA -0.097 4.236 4.340 -0.011 0.000 0.223 51 R C 2.270 178.606 176.300 0.061 0.000 1.088 51 R CA 0.619 56.746 56.100 0.044 0.000 0.985 51 R CB -0.222 30.115 30.300 0.061 0.000 0.880 51 R HN 0.178 nan 8.270 nan 0.000 0.451 52 L N 1.588 122.852 121.223 0.067 0.000 2.072 52 L HA -0.096 4.237 4.340 -0.011 0.000 0.205 52 L C 1.748 178.651 176.870 0.055 0.000 1.079 52 L CA 1.803 56.690 54.840 0.079 0.000 0.752 52 L CB -0.231 41.885 42.059 0.095 0.000 0.906 52 L HN -0.085 nan 8.230 nan 0.000 0.436 53 K N -0.619 119.802 120.400 0.036 0.000 2.211 53 K HA -0.161 4.152 4.320 -0.011 0.000 0.203 53 K C 1.837 178.452 176.600 0.024 0.000 1.050 53 K CA 1.503 57.805 56.287 0.025 0.000 0.945 53 K CB 0.036 32.543 32.500 0.011 0.000 0.732 53 K HN 0.425 nan 8.250 nan 0.000 0.451 54 E N -0.149 120.067 120.200 0.027 0.000 2.340 54 E HA -0.037 4.306 4.350 -0.011 0.000 0.194 54 E C 1.735 178.355 176.600 0.032 0.000 0.996 54 E CA 0.076 56.491 56.400 0.025 0.000 0.869 54 E CB 0.489 30.201 29.700 0.021 0.000 0.835 54 E HN -0.040 nan 8.360 nan 0.000 0.493 55 V N 0.932 120.872 119.914 0.043 0.000 2.379 55 V HA -0.187 3.926 4.120 -0.011 0.000 0.245 55 V C 2.016 178.134 176.094 0.039 0.000 1.044 55 V CA 1.324 63.652 62.300 0.047 0.000 1.036 55 V CB -0.185 31.677 31.823 0.065 0.000 0.664 55 V HN 0.301 nan 8.190 nan 0.000 0.453 56 L N -0.657 120.590 121.223 0.040 0.000 2.376 56 L HA -0.125 4.208 4.340 -0.011 0.000 0.219 56 L C 2.437 179.322 176.870 0.025 0.000 1.133 56 L CA 0.886 55.746 54.840 0.033 0.000 0.816 56 L CB -0.388 41.693 42.059 0.036 0.000 0.933 56 L HN 0.360 nan 8.230 nan 0.000 0.449 57 Q N 0.293 120.107 119.800 0.023 0.000 2.291 57 Q HA -0.113 4.220 4.340 -0.011 0.000 0.206 57 Q C 0.944 176.954 176.000 0.016 0.000 0.976 57 Q CA 0.878 56.691 55.803 0.018 0.000 0.875 57 Q CB 0.263 29.010 28.738 0.016 0.000 0.927 57 Q HN 0.484 nan 8.270 nan 0.000 0.450 107 P HA 0.382 nan 4.420 nan 0.000 0.279 107 P C -0.233 176.944 177.300 -0.204 0.000 1.252 107 P CA -0.545 62.480 63.100 -0.125 0.000 0.811 107 P CB 0.699 32.362 31.700 -0.062 0.000 1.035 108 c N 1.841 120.206 118.600 -0.392 0.000 2.637 108 c HA 0.240 4.803 4.570 -0.011 0.000 0.418 108 c C 1.162 175.085 174.090 -0.278 0.000 1.319 108 c CA -0.477 55.456 56.329 -0.659 0.000 1.949 108 c CB -1.144 40.319 42.510 -1.744 0.000 2.639 108 c HN 0.419 nan 8.230 nan 0.000 0.594 109 L N 6.150 127.345 121.223 -0.048 0.000 2.397 109 L HA 0.247 4.580 4.340 -0.011 0.000 0.271 109 L C -1.716 175.421 176.870 0.444 0.000 1.148 109 L CA -1.239 53.710 54.840 0.182 0.000 0.825 109 L CB 0.495 42.643 42.059 0.149 0.000 1.117 109 L HN 0.402 nan 8.230 nan 0.000 0.456 110 P HA -0.036 nan 4.420 nan 0.000 0.260 110 P C -0.949 176.562 177.300 0.351 0.000 1.172 110 P CA 0.419 63.749 63.100 0.383 0.000 0.760 110 P CB 0.241 32.093 31.700 0.254 0.000 0.773 111 E N 2.989 123.405 120.200 0.361 0.000 2.429 111 E HA 0.453 4.796 4.350 -0.011 0.000 0.276 111 E C -1.460 175.343 176.600 0.339 0.000 0.953 111 E CA -1.096 55.479 56.400 0.293 0.000 0.787 111 E CB 1.778 31.610 29.700 0.220 0.000 1.307 111 E HN 0.404 nan 8.360 nan 0.000 0.458 112 W N 3.728 125.081 121.300 0.087 0.000 2.417 112 W HA 0.260 4.913 4.660 -0.012 0.000 0.315 112 W C -1.122 175.378 176.519 -0.033 0.000 1.045 112 W CA -0.590 56.788 57.345 0.055 0.000 1.221 112 W CB 1.599 31.067 29.460 0.014 0.000 1.309 112 W HN 0.829 nan 8.180 nan 0.000 0.453 113 D N 3.946 123.959 120.400 -0.645 0.000 2.643 113 D HA 0.041 4.674 4.640 -0.011 0.000 0.244 113 D C 0.684 176.538 176.300 -0.744 0.000 1.257 113 D CA -0.237 53.426 54.000 -0.561 0.000 0.831 113 D CB -0.535 40.200 40.800 -0.108 0.000 1.043 113 D HN 0.572 nan 8.370 nan 0.000 0.488 114 H N -1.097 117.272 119.070 -1.167 0.000 4.089 114 H HA -0.167 4.383 4.556 -0.011 0.000 0.142 114 H C 0.781 175.770 175.328 -0.566 0.000 0.778 114 H CA 1.357 57.085 56.048 -0.533 0.000 1.258 114 H CB -1.461 28.241 29.762 -0.101 0.000 0.810 114 H HN 0.385 nan 8.280 nan 0.000 0.487 115 I N -0.640 119.475 120.570 -0.758 0.000 3.990 115 I HA 0.150 4.313 4.170 -0.011 0.000 0.275 115 I C 0.774 176.669 176.117 -0.370 0.000 1.157 115 I CA 0.173 61.236 61.300 -0.396 0.000 1.338 115 I CB 1.055 38.919 38.000 -0.225 0.000 1.588 115 I HN -0.144 nan 8.210 nan 0.000 0.441 116 L N -0.019 120.952 121.223 -0.420 0.000 2.298 116 L HA 0.446 4.779 4.340 -0.011 0.000 0.268 116 L C -1.012 175.699 176.870 -0.265 0.000 1.010 116 L CA -0.689 53.978 54.840 -0.288 0.000 0.812 116 L CB 2.577 44.306 42.059 -0.550 0.000 1.331 116 L HN 0.173 nan 8.230 nan 0.000 0.450 117 c N 0.970 119.524 118.600 -0.076 0.000 2.386 117 c HA 0.470 5.033 4.570 -0.011 0.000 0.318 117 c C -0.774 173.297 174.090 -0.032 0.000 1.128 117 c CA -0.916 55.494 56.329 0.135 0.000 1.438 117 c CB -0.761 41.959 42.510 0.349 0.000 1.987 117 c HN 0.622 nan 8.230 nan 0.000 0.426 118 W N 7.488 128.791 121.300 0.005 0.000 2.266 118 W HA 0.375 5.028 4.660 -0.012 0.000 0.317 118 W C -1.715 174.880 176.519 0.127 0.000 1.310 118 W CA -1.626 55.694 57.345 -0.042 0.000 1.207 118 W CB 0.302 29.550 29.460 -0.354 0.000 1.199 118 W HN 0.555 nan 8.180 nan 0.000 0.544 119 P HA 0.190 nan 4.420 nan 0.000 0.279 119 P C -0.522 177.030 177.300 0.420 0.000 1.276 119 P CA -0.653 62.635 63.100 0.313 0.000 0.801 119 P CB 0.907 32.736 31.700 0.214 0.000 1.127 120 L N 0.217 121.610 121.223 0.283 0.000 2.706 120 L HA 0.060 4.393 4.340 -0.011 0.000 0.282 120 L C 1.411 178.408 176.870 0.211 0.000 1.219 120 L CA 0.512 55.481 54.840 0.215 0.000 0.935 120 L CB -0.830 41.303 42.059 0.123 0.000 1.204 120 L HN 0.478 nan 8.230 nan 0.000 0.491 121 G N 2.920 111.774 108.800 0.090 0.000 2.356 121 G HA2 0.571 4.524 3.960 -0.011 0.000 0.298 121 G HA3 0.571 4.524 3.960 -0.011 0.000 0.298 121 G C -0.296 174.562 174.900 -0.070 0.000 1.145 121 G CA -0.410 44.688 45.100 -0.003 0.000 0.850 121 G HN 0.847 nan 8.290 nan 0.000 0.487 122 A N 4.611 127.432 122.820 0.003 0.000 2.404 122 A HA 0.591 4.904 4.320 -0.011 0.000 0.273 122 A C -1.793 175.757 177.584 -0.058 0.000 1.144 122 A CA -1.234 50.793 52.037 -0.016 0.000 0.806 122 A CB 0.124 19.137 19.000 0.022 0.000 1.080 122 A HN 0.535 nan 8.150 nan 0.000 0.509 123 P HA 0.124 nan 4.420 nan 0.000 0.264 123 P C 1.011 178.275 177.300 -0.060 0.000 1.193 123 P CA 1.652 64.695 63.100 -0.096 0.000 0.763 123 P CB 0.740 32.390 31.700 -0.083 0.000 0.810 124 G N 1.766 110.528 108.800 -0.063 0.000 2.225 124 G HA2 -0.188 3.766 3.960 -0.011 0.000 0.254 124 G HA3 -0.188 3.766 3.960 -0.011 0.000 0.254 124 G C 0.111 174.999 174.900 -0.019 0.000 0.988 124 G CA -0.139 44.937 45.100 -0.041 0.000 0.625 124 G HN 0.559 nan 8.290 nan 0.000 0.527 125 E N 0.038 120.237 120.200 -0.001 0.000 2.250 125 E HA 0.543 4.886 4.350 -0.011 0.000 0.269 125 E C 0.346 176.999 176.600 0.088 0.000 1.018 125 E CA -0.672 55.750 56.400 0.037 0.000 0.873 125 E CB 2.034 31.765 29.700 0.050 0.000 1.134 125 E HN 0.143 nan 8.360 nan 0.000 0.403 126 V N 2.082 122.059 119.914 0.105 0.000 2.508 126 V HA 0.066 4.180 4.120 -0.011 0.000 0.281 126 V C 0.184 176.432 176.094 0.257 0.000 1.041 126 V CA -0.401 62.009 62.300 0.184 0.000 1.016 126 V CB 1.135 33.036 31.823 0.130 0.000 0.984 126 V HN 0.319 nan 8.190 nan 0.000 0.478 127 V N 5.186 125.322 119.914 0.369 0.000 2.364 127 V HA 0.604 4.717 4.120 -0.011 0.000 0.272 127 V C 0.565 176.940 176.094 0.467 0.000 1.036 127 V CA -0.433 62.117 62.300 0.416 0.000 0.880 127 V CB 1.282 33.444 31.823 0.565 0.000 0.991 127 V HN 0.977 nan 8.190 nan 0.000 0.460 128 A N 5.382 128.423 122.820 0.369 0.000 2.290 128 A HA 0.800 5.113 4.320 -0.011 0.000 0.310 128 A C -0.590 177.097 177.584 0.171 0.000 1.202 128 A CA -0.410 51.787 52.037 0.266 0.000 0.837 128 A CB 1.067 20.215 19.000 0.246 0.000 1.139 128 A HN 0.662 nan 8.150 nan 0.000 0.509 129 V N 4.587 124.481 119.914 -0.033 0.000 2.577 129 V HA 0.372 4.485 4.120 -0.011 0.000 0.303 129 V C -2.562 173.318 176.094 -0.356 0.000 1.042 129 V CA -1.691 60.490 62.300 -0.199 0.000 0.872 129 V CB 2.195 33.711 31.823 -0.512 0.000 0.998 129 V HN 0.794 nan 8.190 nan 0.000 0.423 130 P HA 0.135 nan 4.420 nan 0.000 0.267 130 P C -0.184 176.860 177.300 -0.427 0.000 1.209 130 P CA -0.354 62.390 63.100 -0.593 0.000 0.763 130 P CB 0.064 31.523 31.700 -0.401 0.000 0.816 131 c N 7.311 125.660 118.600 -0.419 0.000 2.334 131 c HA -0.000 4.563 4.570 -0.011 0.000 0.395 131 c C -1.387 172.604 174.090 -0.165 0.000 1.507 131 c CA -0.558 55.620 56.329 -0.250 0.000 1.494 131 c CB -1.345 41.017 42.510 -0.247 0.000 2.509 131 c HN 0.517 nan 8.230 nan 0.000 0.599 132 P HA 0.089 nan 4.420 nan 0.000 0.271 132 P C 0.607 177.718 177.300 -0.315 0.000 1.220 132 P CA 0.346 63.174 63.100 -0.453 0.000 0.768 132 P CB 0.561 31.651 31.700 -1.017 0.000 0.848 133 D N 3.234 123.481 120.400 -0.256 0.000 2.218 133 D HA -0.220 4.413 4.640 -0.011 0.000 0.204 133 D C 1.373 177.533 176.300 -0.234 0.000 0.976 133 D CA 1.395 55.239 54.000 -0.261 0.000 0.853 133 D CB -0.781 39.868 40.800 -0.250 0.000 0.939 133 D HN 0.534 nan 8.370 nan 0.000 0.481 134 Y N 0.445 120.722 120.300 -0.038 0.000 2.571 134 Y HA 0.185 4.728 4.550 -0.012 0.000 0.294 134 Y C 1.191 177.090 175.900 -0.003 0.000 1.141 134 Y CA -0.447 57.635 58.100 -0.030 0.000 1.308 134 Y CB -0.278 38.160 38.460 -0.038 0.000 1.002 134 Y HN -0.203 nan 8.280 nan 0.000 0.551 135 I N 2.117 122.602 120.570 -0.141 0.000 2.294 135 I HA -0.056 4.107 4.170 -0.011 0.000 0.295 135 I C 1.049 177.181 176.117 0.025 0.000 1.098 135 I CA -0.654 60.534 61.300 -0.187 0.000 1.277 135 I CB -0.435 37.113 38.000 -0.753 0.000 1.434 135 I HN 0.301 nan 8.210 nan 0.000 0.498 136 Y N 6.096 126.391 120.300 -0.009 0.000 2.139 136 Y HA -0.294 4.249 4.550 -0.011 0.000 0.282 136 Y C 1.828 177.760 175.900 0.054 0.000 1.179 136 Y CA 2.034 60.177 58.100 0.072 0.000 1.161 136 Y CB 0.256 38.736 38.460 0.032 0.000 0.970 136 Y HN 0.531 nan 8.280 nan 0.000 0.511 137 D N -0.621 119.834 120.400 0.092 0.000 2.347 137 D HA -0.054 4.579 4.640 -0.011 0.000 0.213 137 D C 0.379 176.641 176.300 -0.064 0.000 0.985 137 D CA 0.378 54.387 54.000 0.014 0.000 0.879 137 D CB -0.191 40.638 40.800 0.049 0.000 0.919 137 D HN 0.091 nan 8.370 nan 0.000 0.526 138 F N 1.217 120.946 119.950 -0.368 0.000 2.390 138 F HA 0.130 4.651 4.527 -0.011 0.000 0.307 138 F C 1.254 176.621 175.800 -0.722 0.000 1.227 138 F CA -1.277 56.416 58.000 -0.513 0.000 1.179 138 F CB -0.184 38.548 39.000 -0.446 0.000 1.280 138 F HN -0.201 nan 8.300 nan 0.000 0.548 139 N N -0.352 118.110 118.700 -0.398 0.000 2.462 139 N HA 0.126 4.859 4.740 -0.011 0.000 0.242 139 N C -0.231 175.051 175.510 -0.379 0.000 1.010 139 N CA -0.154 52.658 53.050 -0.398 0.000 0.939 139 N CB 0.056 38.393 38.487 -0.251 0.000 1.127 139 N HN 0.423 nan 8.380 nan 0.000 0.509 140 H N 1.610 120.616 119.070 -0.106 0.000 2.556 140 H HA 0.143 4.692 4.556 -0.012 0.000 0.268 140 H C 0.910 176.143 175.328 -0.158 0.000 0.996 140 H CA 0.383 56.352 56.048 -0.133 0.000 1.157 140 H CB 0.563 30.249 29.762 -0.126 0.000 1.355 140 H HN 0.451 nan 8.280 nan 0.000 0.597 141 K N 0.545 120.905 120.400 -0.065 0.000 2.323 141 K HA 0.110 4.423 4.320 -0.011 0.000 0.197 141 K C 1.360 177.894 176.600 -0.109 0.000 1.043 141 K CA 0.367 56.613 56.287 -0.069 0.000 0.997 141 K CB 0.336 32.820 32.500 -0.028 0.000 0.807 141 K HN 0.303 nan 8.250 nan 0.000 0.497 142 G N 0.534 109.247 108.800 -0.146 0.000 2.631 142 G HA2 0.105 4.058 3.960 -0.011 0.000 0.271 142 G HA3 0.105 4.058 3.960 -0.011 0.000 0.271 142 G C -0.867 173.856 174.900 -0.294 0.000 1.302 142 G CA -0.148 44.879 45.100 -0.122 0.000 1.002 142 G HN 0.227 nan 8.290 nan 0.000 0.519 143 H N -1.651 117.252 119.070 -0.279 0.000 2.717 143 H HA 0.618 5.167 4.556 -0.011 0.000 0.366 143 H C 0.145 174.996 175.328 -0.796 0.000 1.132 143 H CA 0.172 55.919 56.048 -0.502 0.000 1.180 143 H CB 1.953 31.399 29.762 -0.527 0.000 1.678 143 H HN 0.731 nan 8.280 nan 0.000 0.537 144 A N 2.384 124.781 122.820 -0.705 0.000 2.312 144 A HA 0.658 4.971 4.320 -0.011 0.000 0.328 144 A C -1.413 175.817 177.584 -0.591 0.000 1.158 144 A CA -0.477 51.108 52.037 -0.754 0.000 0.821 144 A CB 0.433 18.884 19.000 -0.915 0.000 1.170 144 A HN 0.662 nan 8.150 nan 0.000 0.490 145 Y N 0.312 120.621 120.300 0.015 0.000 2.462 145 Y HA 0.669 5.212 4.550 -0.011 0.000 0.346 145 Y C 0.467 176.327 175.900 -0.066 0.000 0.976 145 Y CA -0.575 57.604 58.100 0.130 0.000 1.044 145 Y CB 2.191 40.726 38.460 0.125 0.000 1.230 145 Y HN 0.696 nan 8.280 nan 0.000 0.455 146 R N 1.664 122.266 120.500 0.171 0.000 2.725 146 R HA 0.539 4.872 4.340 -0.011 0.000 0.277 146 R C -1.085 175.476 176.300 0.435 0.000 0.987 146 R CA -1.232 54.919 56.100 0.085 0.000 0.901 146 R CB 2.442 32.313 30.300 -0.715 0.000 1.207 146 R HN 0.676 nan 8.270 nan 0.000 0.463 147 R N 0.925 121.709 120.500 0.473 0.000 2.221 147 R HA 0.242 4.576 4.340 -0.011 0.000 0.327 147 R C -0.456 176.012 176.300 0.281 0.000 1.033 147 R CA -0.355 55.898 56.100 0.255 0.000 0.887 147 R CB 1.169 31.479 30.300 0.015 0.000 1.057 147 R HN 0.426 nan 8.270 nan 0.000 0.455 148 c N 4.711 123.409 118.600 0.162 0.000 2.303 148 c HA 0.182 4.746 4.570 -0.011 0.000 0.341 148 c C 0.338 174.365 174.090 -0.106 0.000 1.244 148 c CA -0.786 55.475 56.329 -0.114 0.000 1.765 148 c CB -0.982 41.294 42.510 -0.390 0.000 2.379 148 c HN 0.911 nan 8.230 nan 0.000 0.530 149 D N 4.439 124.775 120.400 -0.108 0.000 2.371 149 D HA 0.164 4.797 4.640 -0.011 0.000 0.242 149 D C 1.230 177.472 176.300 -0.096 0.000 1.218 149 D CA -0.426 53.526 54.000 -0.081 0.000 0.945 149 D CB 0.716 41.481 40.800 -0.060 0.000 1.137 149 D HN 0.485 nan 8.370 nan 0.000 0.464 150 R N 0.622 121.079 120.500 -0.071 0.000 2.154 150 R HA -0.175 4.158 4.340 -0.011 0.000 0.248 150 R C 0.729 176.987 176.300 -0.070 0.000 1.155 150 R CA 1.488 57.549 56.100 -0.064 0.000 0.979 150 R CB -0.904 29.367 30.300 -0.049 0.000 0.869 150 R HN 0.616 nan 8.270 nan 0.000 0.452 151 N N -1.353 117.302 118.700 -0.075 0.000 2.236 151 N HA 0.113 4.846 4.740 -0.011 0.000 0.196 151 N C 0.532 175.985 175.510 -0.096 0.000 1.114 151 N CA 0.649 53.656 53.050 -0.071 0.000 0.859 151 N CB 1.202 39.657 38.487 -0.052 0.000 0.982 151 N HN 0.327 nan 8.380 nan 0.000 0.493 152 G N -0.447 108.267 108.800 -0.144 0.000 2.132 152 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.228 152 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.228 152 G C -0.177 174.568 174.900 -0.258 0.000 1.000 152 G CA -0.131 44.842 45.100 -0.211 0.000 0.693 152 G HN 0.277 nan 8.290 nan 0.000 0.515 153 S N -0.713 114.862 115.700 -0.208 0.000 2.501 153 S HA 0.616 5.079 4.470 -0.011 0.000 0.301 153 S C -0.062 174.439 174.600 -0.165 0.000 1.096 153 S CA -0.634 57.466 58.200 -0.167 0.000 1.063 153 S CB 0.833 64.007 63.200 -0.042 0.000 1.042 153 S HN 0.353 nan 8.310 nan 0.000 0.494 154 W N 2.268 123.556 121.300 -0.020 0.000 2.308 154 W HA 0.226 4.879 4.660 -0.011 0.000 0.324 154 W C 0.898 177.408 176.519 -0.015 0.000 1.387 154 W CA -0.213 57.108 57.345 -0.040 0.000 1.250 154 W CB 0.143 29.547 29.460 -0.093 0.000 1.257 154 W HN 0.595 nan 8.180 nan 0.000 0.554 155 E N 2.711 123.052 120.200 0.236 0.000 2.508 155 E HA 0.046 4.389 4.350 -0.011 0.000 0.266 155 E C -0.713 175.994 176.600 0.179 0.000 1.010 155 E CA 0.397 56.877 56.400 0.133 0.000 0.955 155 E CB 0.350 30.085 29.700 0.059 0.000 0.946 155 E HN 0.326 nan 8.360 nan 0.000 0.454 156 L N 3.451 124.743 121.223 0.115 0.000 2.331 156 L HA 0.362 4.695 4.340 -0.011 0.000 0.275 156 L C -0.481 176.473 176.870 0.141 0.000 1.022 156 L CA -1.529 53.396 54.840 0.141 0.000 0.812 156 L CB 1.691 43.811 42.059 0.101 0.000 1.257 156 L HN 0.318 nan 8.230 nan 0.000 0.435 157 V N 2.999 123.041 119.914 0.213 0.000 2.584 157 V HA -0.034 4.079 4.120 -0.011 0.000 0.303 157 V C -1.927 174.182 176.094 0.026 0.000 1.035 157 V CA -0.809 61.608 62.300 0.195 0.000 1.172 157 V CB -0.241 31.714 31.823 0.220 0.000 0.896 157 V HN 0.613 nan 8.190 nan 0.000 0.486 158 P HA 0.138 nan 4.420 nan 0.000 0.261 158 P C 0.990 178.155 177.300 -0.224 0.000 1.183 158 P CA 1.403 64.431 63.100 -0.121 0.000 0.761 158 P CB 0.357 31.983 31.700 -0.124 0.000 0.785 159 G N 1.420 110.154 108.800 -0.110 0.000 2.175 159 G HA2 -0.228 3.725 3.960 -0.011 0.000 0.265 159 G HA3 -0.228 3.725 3.960 -0.011 0.000 0.265 159 G C 0.203 175.182 174.900 0.132 0.000 0.979 159 G CA 0.160 45.231 45.100 -0.048 0.000 0.663 159 G HN 0.637 nan 8.290 nan 0.000 0.533 160 H N -0.824 118.272 119.070 0.043 0.000 2.797 160 H HA 0.528 5.077 4.556 -0.011 0.000 0.362 160 H C 0.083 175.442 175.328 0.052 0.000 1.183 160 H CA -1.465 54.611 56.048 0.048 0.000 1.197 160 H CB 0.754 30.549 29.762 0.056 0.000 1.835 160 H HN 0.176 nan 8.280 nan 0.000 0.567 161 N N 0.703 119.514 118.700 0.186 0.000 3.228 161 N HA 0.329 5.062 4.740 -0.011 0.000 0.289 161 N C -0.594 174.984 175.510 0.113 0.000 1.419 161 N CA -0.229 52.893 53.050 0.121 0.000 1.088 161 N CB 0.699 39.235 38.487 0.082 0.000 1.357 161 N HN 0.123 nan 8.380 nan 0.000 0.504 162 R N -0.420 120.163 120.500 0.139 0.000 2.725 162 R HA 0.420 4.753 4.340 -0.011 0.000 0.277 162 R C -0.767 175.602 176.300 0.115 0.000 0.987 162 R CA -0.716 55.453 56.100 0.115 0.000 0.901 162 R CB 1.597 31.971 30.300 0.125 0.000 1.207 162 R HN 0.114 nan 8.270 nan 0.000 0.463 163 T N 1.759 116.353 114.554 0.067 0.000 2.799 163 T HA 0.008 4.351 4.350 -0.011 0.000 0.296 163 T C -0.553 174.174 174.700 0.044 0.000 0.947 163 T CA -0.196 61.929 62.100 0.042 0.000 1.141 163 T CB 0.194 69.010 68.868 -0.086 0.000 0.891 163 T HN 0.374 nan 8.240 nan 0.000 0.533 164 W N 3.825 125.093 121.300 -0.053 0.000 2.308 164 W HA 0.442 5.095 4.660 -0.011 0.000 0.324 164 W C -0.228 176.207 176.519 -0.141 0.000 1.387 164 W CA -0.230 57.084 57.345 -0.052 0.000 1.250 164 W CB 0.049 29.493 29.460 -0.026 0.000 1.257 164 W HN 0.723 nan 8.180 nan 0.000 0.554 165 A N 6.194 128.446 122.820 -0.946 0.000 2.517 165 A HA 0.318 4.631 4.320 -0.011 0.000 0.297 165 A C -1.465 175.460 177.584 -1.097 0.000 1.050 165 A CA -0.916 50.512 52.037 -1.015 0.000 0.694 165 A CB 1.418 20.133 19.000 -0.476 0.000 1.277 165 A HN 0.631 nan 8.150 nan 0.000 0.400 166 N N 1.804 119.888 118.700 -1.027 0.000 2.444 166 N HA 0.355 5.088 4.740 -0.011 0.000 0.262 166 N C -1.253 174.099 175.510 -0.262 0.000 0.974 166 N CA -0.050 52.719 53.050 -0.468 0.000 0.933 166 N CB 0.815 39.168 38.487 -0.224 0.000 1.137 166 N HN 0.625 nan 8.380 nan 0.000 0.498 167 Y N 1.220 121.429 120.300 -0.151 0.000 2.660 167 Y HA 0.084 4.628 4.550 -0.011 0.000 0.254 167 Y C 1.945 177.707 175.900 -0.229 0.000 1.176 167 Y CA -0.205 57.772 58.100 -0.206 0.000 1.195 167 Y CB 0.511 38.844 38.460 -0.213 0.000 1.190 167 Y HN 0.618 nan 8.280 nan 0.000 0.535 168 S N -1.302 114.402 115.700 0.006 0.000 2.453 168 S HA -0.144 4.319 4.470 -0.011 0.000 0.231 168 S C 1.554 176.119 174.600 -0.058 0.000 1.005 168 S CA 0.919 59.113 58.200 -0.010 0.000 0.949 168 S CB -0.034 63.190 63.200 0.040 0.000 0.774 168 S HN 0.512 nan 8.310 nan 0.000 0.510 169 E N 0.340 120.506 120.200 -0.056 0.000 2.152 169 E HA -0.055 4.288 4.350 -0.011 0.000 0.192 169 E C 1.900 178.362 176.600 -0.230 0.000 0.983 169 E CA 1.195 57.541 56.400 -0.089 0.000 0.818 169 E CB -0.234 29.454 29.700 -0.021 0.000 0.758 169 E HN 0.625 nan 8.360 nan 0.000 0.467 170 c N 0.608 118.984 118.600 -0.373 0.000 2.543 170 c HA -0.014 4.549 4.570 -0.011 0.000 0.281 170 c C 1.350 174.935 174.090 -0.843 0.000 1.276 170 c CA -0.256 55.653 56.329 -0.700 0.000 1.700 170 c CB -0.796 41.078 42.510 -1.060 0.000 2.093 170 c HN 0.227 nan 8.230 nan 0.000 0.488 171 V N 1.005 120.459 119.914 -0.768 0.000 2.599 171 V HA 0.257 4.370 4.120 -0.011 0.000 0.300 171 V C 0.162 175.984 176.094 -0.453 0.000 1.034 171 V CA 0.704 62.603 62.300 -0.669 0.000 1.115 171 V CB 0.230 31.841 31.823 -0.352 0.000 0.934 171 V HN 0.344 nan 8.190 nan 0.000 0.485 172 K N 3.675 123.765 120.400 -0.517 0.000 2.972 172 K HA 0.364 4.677 4.320 -0.011 0.000 0.209 172 K C 0.553 177.042 176.600 -0.186 0.000 1.128 172 K CA -0.108 56.018 56.287 -0.269 0.000 1.024 172 K CB 0.273 32.656 32.500 -0.196 0.000 0.754 172 K HN 0.818 nan 8.250 nan 0.000 0.454 173 F N 0.207 120.167 119.950 0.017 0.000 2.126 173 F HA -0.268 4.252 4.527 -0.011 0.000 0.299 173 F C 2.088 177.897 175.800 0.014 0.000 1.096 173 F CA 0.908 58.922 58.000 0.024 0.000 1.255 173 F CB -0.152 38.861 39.000 0.021 0.000 0.997 173 F HN 0.108 nan 8.300 nan 0.000 0.479 174 L N -0.181 121.150 121.223 0.179 0.000 2.072 174 L HA -0.126 4.207 4.340 -0.011 0.000 0.205 174 L C 2.281 179.188 176.870 0.062 0.000 1.079 174 L CA 1.982 56.883 54.840 0.102 0.000 0.752 174 L CB -1.201 40.903 42.059 0.074 0.000 0.906 174 L HN 0.032 nan 8.230 nan 0.000 0.436 175 T N 0.183 114.758 114.554 0.035 0.000 2.684 175 T HA -0.161 4.182 4.350 -0.011 0.000 0.267 175 T C 1.731 176.448 174.700 0.028 0.000 1.036 175 T CA 1.625 63.736 62.100 0.017 0.000 1.148 175 T CB -0.368 68.493 68.868 -0.012 0.000 0.863 175 T HN 0.349 nan 8.240 nan 0.000 0.436 176 N N 0.891 119.610 118.700 0.033 0.000 2.149 176 N HA -0.120 4.613 4.740 -0.011 0.000 0.188 176 N C 1.873 177.424 175.510 0.068 0.000 1.019 176 N CA 1.152 54.234 53.050 0.053 0.000 0.857 176 N CB -0.332 38.195 38.487 0.068 0.000 0.997 176 N HN 0.640 nan 8.380 nan 0.000 0.426 177 E N 0.155 120.399 120.200 0.073 0.000 2.028 177 E HA -0.109 4.234 4.350 -0.011 0.000 0.191 177 E C 1.369 177.996 176.600 0.045 0.000 0.988 177 E CA 1.431 57.866 56.400 0.058 0.000 0.799 177 E CB -0.027 29.706 29.700 0.055 0.000 0.755 177 E HN 0.174 nan 8.360 nan 0.000 0.447 178 T N 0.853 115.432 114.554 0.042 0.000 2.720 178 T HA -0.196 4.147 4.350 -0.011 0.000 0.268 178 T C 1.854 176.580 174.700 0.044 0.000 1.037 178 T CA 1.528 63.650 62.100 0.036 0.000 1.144 178 T CB -0.260 68.625 68.868 0.029 0.000 0.864 178 T HN 0.185 nan 8.240 nan 0.000 0.444 179 R N 0.742 121.270 120.500 0.046 0.000 2.062 179 R HA -0.046 4.288 4.340 -0.011 0.000 0.231 179 R C 2.451 178.793 176.300 0.070 0.000 1.136 179 R CA 1.598 57.729 56.100 0.052 0.000 0.948 179 R CB -0.180 30.147 30.300 0.045 0.000 0.845 179 R HN 0.432 nan 8.270 nan 0.000 0.430 180 E N -0.125 120.121 120.200 0.076 0.000 2.110 180 E HA -0.241 4.102 4.350 -0.011 0.000 0.193 180 E C 2.052 178.724 176.600 0.121 0.000 0.988 180 E CA 0.996 57.454 56.400 0.096 0.000 0.804 180 E CB 0.051 29.804 29.700 0.088 0.000 0.745 180 E HN 0.064 nan 8.360 nan 0.000 0.458 181 R N 1.183 121.737 120.500 0.091 0.000 2.105 181 R HA -0.196 4.137 4.340 -0.011 0.000 0.239 181 R C 1.977 178.377 176.300 0.167 0.000 1.135 181 R CA 1.869 58.033 56.100 0.107 0.000 0.967 181 R CB -0.384 29.945 30.300 0.047 0.000 0.861 181 R HN 0.080 nan 8.270 nan 0.000 0.442 182 E N -0.466 119.805 120.200 0.118 0.000 2.085 182 E HA -0.112 4.231 4.350 -0.011 0.000 0.194 182 E C 1.740 178.414 176.600 0.122 0.000 0.994 182 E CA 1.751 58.214 56.400 0.106 0.000 0.801 182 E CB -0.170 29.572 29.700 0.070 0.000 0.743 182 E HN 0.208 nan 8.360 nan 0.000 0.453 183 V N 0.536 120.529 119.914 0.132 0.000 2.427 183 V HA -0.158 3.955 4.120 -0.011 0.000 0.248 183 V C 2.178 178.371 176.094 0.164 0.000 1.051 183 V CA 1.798 64.171 62.300 0.122 0.000 1.048 183 V CB -0.748 31.144 31.823 0.115 0.000 0.666 183 V HN 0.312 nan 8.190 nan 0.000 0.456 184 F N 1.741 121.748 119.950 0.095 0.000 2.102 184 F HA -0.184 4.336 4.527 -0.012 0.000 0.298 184 F C 2.223 178.146 175.800 0.205 0.000 1.105 184 F CA 2.004 60.096 58.000 0.153 0.000 1.239 184 F CB -0.242 38.808 39.000 0.083 0.000 0.991 184 F HN 0.190 nan 8.300 nan 0.000 0.474 185 D N 0.065 120.652 120.400 0.312 0.000 2.144 185 D HA -0.177 4.456 4.640 -0.011 0.000 0.199 185 D C 2.283 178.651 176.300 0.114 0.000 0.984 185 D CA 1.105 55.245 54.000 0.232 0.000 0.834 185 D CB -0.438 40.479 40.800 0.194 0.000 0.955 185 D HN 0.287 nan 8.370 nan 0.000 0.465 186 R N 0.090 120.631 120.500 0.068 0.000 2.092 186 R HA 0.065 4.398 4.340 -0.011 0.000 0.231 186 R C 2.266 178.522 176.300 -0.072 0.000 1.119 186 R CA 0.430 56.538 56.100 0.013 0.000 0.970 186 R CB -0.188 30.124 30.300 0.021 0.000 0.864 186 R HN 0.132 nan 8.270 nan 0.000 0.440 187 L N -0.537 120.605 121.223 -0.135 0.000 2.551 187 L HA -0.094 4.239 4.340 -0.011 0.000 0.228 187 L C 1.224 177.708 176.870 -0.644 0.000 1.153 187 L CA 0.747 55.378 54.840 -0.348 0.000 0.851 187 L CB -0.025 41.806 42.059 -0.380 0.000 0.959 187 L HN 0.376 nan 8.230 nan 0.000 0.451 188 H N -3.529 115.342 119.070 -0.332 0.000 3.622 188 H HA 0.316 4.865 4.556 -0.012 0.000 0.259 188 H C 0.145 175.128 175.328 -0.575 0.000 1.145 188 H CA -0.069 55.698 56.048 -0.469 0.000 1.178 188 H CB 1.050 30.417 29.762 -0.659 0.000 1.542 188 H HN 0.236 nan 8.280 nan 0.000 0.586 189 H N 0.000 119.038 119.070 -0.054 0.000 2.539 189 H HA 0.000 4.549 4.556 -0.011 0.000 0.296 189 H CA 0.000 56.026 56.048 -0.036 0.000 1.023 189 H CB 0.000 29.756 29.762 -0.010 0.000 1.292 189 H HN 0.000 nan 8.280 nan 0.000 0.496