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 3hvo_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCGPEEEK LPINPLSNSL MRFHNKVYST TSRSASLRAK DATA SEQUENCE KVTFDRVQVL DAHYDSVLQD VKRAASKVSA RLLTVEEACA LTPPHSAKSR DATA SEQUENCE YGFGAKEVRS LSRRAVNHIR SVWEDLLEDQ HTPIDTTIMA KNEVFCIDXX DATA SEQUENCE XXXKKPARLI VYPDLGVRVC EKMALYDIAQ KLPKAIMGPS YGFQYSPAER DATA SEQUENCE VDFLLKAWGS KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPQEAR DATA SEQUENCE TVIHSLTERL YVGGPMTNSK GQSCGYRRCR ASGVFTTSMG NTMTCYIKAL DATA SEQUENCE AACKAAGIVD PVMLVCGDDL VVISESQGNE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDLPRPEYDL ELITSCSSNV SVALDSRGRR RYFLTRDPTT PITRAAWETV DATA SEQUENCE RHSPVNSWLG NIIQYAPTIW VRMVIMTHFF SILLAQDTLN QNLNFEMYGA DATA SEQUENCE VYSVNPLDLP AIIERLHGLE AFSLHTYSPH ELSRVAATLR KLGAPPLRAW DATA SEQUENCE KSRARAVRAS LIAQGARAAI CGRYLFNWAV KTKLKLTPLP EASRLDLSGW DATA SEQUENCE FTVGAGGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.563 174.600 -0.061 0.000 1.055 1 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 2 M N 3.266 122.829 119.600 -0.062 0.000 2.228 2 M HA 0.255 4.735 4.480 0.000 0.000 0.351 2 M C 1.961 178.148 176.300 -0.188 0.000 1.233 2 M CA 0.068 55.318 55.300 -0.084 0.000 1.129 2 M CB 0.611 33.194 32.600 -0.028 0.000 1.604 2 M HN 1.077 nan 8.290 nan 0.000 0.457 3 S N 2.970 118.481 115.700 -0.315 0.000 2.383 3 S HA -0.118 4.352 4.470 0.000 0.000 0.229 3 S C 0.124 174.282 174.600 -0.737 0.000 1.030 3 S CA 1.049 58.923 58.200 -0.544 0.000 1.002 3 S CB -0.240 62.541 63.200 -0.700 0.000 0.829 3 S HN 0.642 nan 8.310 nan 0.000 0.467 4 Y N 0.796 120.972 120.300 -0.207 0.000 2.534 4 Y HA 0.572 5.122 4.550 0.000 0.000 0.345 4 Y C 0.234 175.896 175.900 -0.395 0.000 1.031 4 Y CA -0.902 56.969 58.100 -0.381 0.000 1.022 4 Y CB 1.806 39.898 38.460 -0.613 0.000 1.292 4 Y HN 0.157 nan 8.280 nan 0.000 0.459 5 T N -2.527 111.830 114.554 -0.328 0.000 2.950 5 T HA 0.773 5.124 4.350 0.000 0.000 0.288 5 T C -1.330 173.015 174.700 -0.592 0.000 1.035 5 T CA -0.833 61.096 62.100 -0.285 0.000 1.028 5 T CB 1.508 70.330 68.868 -0.077 0.000 1.109 5 T HN 0.562 nan 8.240 nan 0.000 0.514 6 W N -0.189 121.166 121.300 0.092 0.000 3.138 6 W HA 0.468 5.128 4.660 0.000 0.000 0.331 6 W C 1.165 177.713 176.519 0.049 0.000 1.166 6 W CA -0.649 56.735 57.345 0.064 0.000 1.212 6 W CB 1.893 31.377 29.460 0.041 0.000 1.399 6 W HN 0.916 nan 8.180 nan 0.000 0.514 7 T N -2.296 112.423 114.554 0.274 0.000 3.054 7 T HA 0.336 4.687 4.350 0.000 0.000 0.259 7 T C 1.434 176.219 174.700 0.141 0.000 1.092 7 T CA 1.093 63.291 62.100 0.163 0.000 1.121 7 T CB 0.042 68.982 68.868 0.121 0.000 0.912 7 T HN 1.341 nan 8.240 nan 0.000 0.489 8 G N 1.277 110.172 108.800 0.160 0.000 2.278 8 G HA2 0.038 3.998 3.960 0.000 0.000 0.210 8 G HA3 0.038 3.998 3.960 0.000 0.000 0.210 8 G C 0.406 175.343 174.900 0.063 0.000 1.000 8 G CA -0.149 45.004 45.100 0.088 0.000 0.635 8 G HN 1.087 nan 8.290 nan 0.000 0.495 9 A N 0.936 123.806 122.820 0.083 0.000 2.483 9 A HA 0.609 4.929 4.320 0.000 0.000 0.238 9 A C 0.789 178.404 177.584 0.052 0.000 1.070 9 A CA 0.358 52.432 52.037 0.063 0.000 0.770 9 A CB 0.146 19.189 19.000 0.071 0.000 1.008 9 A HN 0.912 nan 8.150 nan 0.000 0.497 10 L N 1.335 122.574 121.223 0.025 0.000 2.439 10 L HA 0.287 4.627 4.340 0.000 0.000 0.261 10 L C -0.047 176.832 176.870 0.016 0.000 1.153 10 L CA -0.383 54.457 54.840 0.000 0.000 0.808 10 L CB 0.777 42.833 42.059 -0.006 0.000 1.126 10 L HN 0.570 nan 8.230 nan 0.000 0.460 11 I N 1.574 122.140 120.570 -0.007 0.000 2.329 11 I HA 0.048 4.218 4.170 0.000 0.000 0.295 11 I C 0.519 176.645 176.117 0.016 0.000 1.109 11 I CA 0.075 61.383 61.300 0.015 0.000 1.297 11 I CB 0.411 38.408 38.000 -0.006 0.000 1.433 11 I HN 0.626 nan 8.210 nan 0.000 0.509 12 T N 5.049 119.619 114.554 0.027 0.000 2.928 12 T HA 0.570 4.920 4.350 0.000 0.000 0.284 12 T C -2.359 172.361 174.700 0.034 0.000 1.008 12 T CA -1.920 60.195 62.100 0.026 0.000 1.057 12 T CB 1.555 70.436 68.868 0.023 0.000 1.018 12 T HN 0.225 nan 8.240 nan 0.000 0.493 13 P HA 0.347 nan 4.420 nan 0.000 0.278 13 P C -0.292 177.031 177.300 0.038 0.000 1.258 13 P CA -0.781 62.344 63.100 0.042 0.000 0.811 13 P CB 0.567 32.292 31.700 0.042 0.000 1.063 14 C N -0.504 118.821 119.300 0.042 0.000 2.717 14 C HA 0.877 5.337 4.460 0.000 0.000 0.306 14 C C 0.474 175.485 174.990 0.035 0.000 1.225 14 C CA 0.011 59.050 59.018 0.035 0.000 1.658 14 C CB -0.813 26.950 27.740 0.037 0.000 1.714 14 C HN 0.930 nan 8.230 nan 0.000 0.463 15 G N 3.130 111.951 108.800 0.034 0.000 2.343 15 G HA2 0.252 4.212 3.960 0.000 0.000 0.562 15 G HA3 0.252 4.212 3.960 0.000 0.000 0.562 15 G C -3.155 171.772 174.900 0.044 0.000 1.269 15 G CA -0.484 44.638 45.100 0.036 0.000 1.011 15 G HN 0.554 nan 8.290 nan 0.000 0.498 16 P HA 0.463 nan 4.420 nan 0.000 0.275 16 P C -0.836 176.509 177.300 0.075 0.000 1.228 16 P CA 0.197 63.331 63.100 0.057 0.000 0.786 16 P CB 1.092 32.824 31.700 0.054 0.000 0.927 17 E N 1.223 121.475 120.200 0.087 0.000 2.255 17 E HA 0.188 4.538 4.350 0.000 0.000 0.256 17 E C -0.592 176.096 176.600 0.146 0.000 0.887 17 E CA -0.633 55.834 56.400 0.112 0.000 0.782 17 E CB 1.411 31.166 29.700 0.093 0.000 1.214 17 E HN 0.382 nan 8.360 nan 0.000 0.417 18 E N 2.232 122.559 120.200 0.212 0.000 2.289 18 E HA 0.055 4.405 4.350 0.000 0.000 0.278 18 E C 0.178 176.995 176.600 0.362 0.000 1.032 18 E CA 0.163 56.723 56.400 0.266 0.000 0.854 18 E CB 1.416 31.288 29.700 0.287 0.000 1.046 18 E HN 0.573 nan 8.360 nan 0.000 0.409 19 E N 1.506 121.887 120.200 0.302 0.000 2.251 19 E HA 0.039 4.389 4.350 0.000 0.000 0.194 19 E C -0.161 176.687 176.600 0.414 0.000 0.964 19 E CA 0.509 57.094 56.400 0.308 0.000 0.868 19 E CB 0.548 30.373 29.700 0.208 0.000 0.828 19 E HN 0.185 nan 8.360 nan 0.000 0.481 20 K N 1.167 121.787 120.400 0.367 0.000 2.207 20 K HA 0.289 4.609 4.320 0.000 0.000 0.255 20 K C -0.977 175.765 176.600 0.236 0.000 0.941 20 K CA -0.870 55.611 56.287 0.324 0.000 0.825 20 K CB 2.092 34.708 32.500 0.193 0.000 1.119 20 K HN -0.094 nan 8.250 nan 0.000 0.430 21 L N 5.620 127.015 121.223 0.287 0.000 2.418 21 L HA 0.176 4.516 4.340 0.000 0.000 0.274 21 L C -2.153 174.696 176.870 -0.036 0.000 1.135 21 L CA -1.048 53.795 54.840 0.006 0.000 0.870 21 L CB 0.104 42.296 42.059 0.221 0.000 1.154 21 L HN 0.468 nan 8.230 nan 0.000 0.462 22 P HA 0.180 nan 4.420 nan 0.000 0.274 22 P C -0.689 176.474 177.300 -0.227 0.000 1.237 22 P CA -0.303 62.693 63.100 -0.175 0.000 0.793 22 P CB 0.687 32.277 31.700 -0.183 0.000 0.977 23 I N 2.157 122.537 120.570 -0.317 0.000 2.452 23 I HA 0.259 4.429 4.170 0.000 0.000 0.287 23 I C 0.853 176.863 176.117 -0.177 0.000 1.079 23 I CA 0.513 61.604 61.300 -0.348 0.000 1.387 23 I CB -0.330 37.436 38.000 -0.390 0.000 1.404 23 I HN 0.322 nan 8.210 nan 0.000 0.522 24 N N 7.755 126.380 118.700 -0.125 0.000 2.521 24 N HA 0.261 5.001 4.740 0.000 0.000 0.269 24 N C -2.475 173.000 175.510 -0.057 0.000 1.079 24 N CA -1.402 51.596 53.050 -0.088 0.000 0.980 24 N CB 2.637 41.067 38.487 -0.096 0.000 1.667 24 N HN 0.007 nan 8.380 nan 0.000 0.498 25 P HA -0.026 nan 4.420 nan 0.000 0.216 25 P C 1.453 178.737 177.300 -0.027 0.000 1.150 25 P CA 1.085 64.163 63.100 -0.038 0.000 0.837 25 P CB 0.430 32.105 31.700 -0.042 0.000 0.786 26 L N -0.876 120.329 121.223 -0.030 0.000 2.217 26 L HA -0.062 4.278 4.340 0.000 0.000 0.211 26 L C 2.372 179.272 176.870 0.051 0.000 1.107 26 L CA 1.782 56.613 54.840 -0.016 0.000 0.783 26 L CB -1.059 40.968 42.059 -0.054 0.000 0.919 26 L HN 0.121 nan 8.230 nan 0.000 0.442 27 S N -1.443 114.269 115.700 0.020 0.000 2.439 27 S HA -0.106 4.364 4.470 0.000 0.000 0.224 27 S C 1.730 176.345 174.600 0.025 0.000 1.029 27 S CA 0.385 58.602 58.200 0.028 0.000 0.946 27 S CB -0.445 62.757 63.200 0.003 0.000 0.797 27 S HN 0.405 nan 8.310 nan 0.000 0.504 28 N N 2.089 120.797 118.700 0.014 0.000 2.244 28 N HA -0.130 4.610 4.740 0.000 0.000 0.183 28 N C 1.775 177.282 175.510 -0.004 0.000 1.016 28 N CA 1.562 54.621 53.050 0.014 0.000 0.866 28 N CB -0.184 38.306 38.487 0.005 0.000 0.980 28 N HN 0.643 nan 8.380 nan 0.000 0.430 29 S N 0.282 115.982 115.700 -0.001 0.000 2.447 29 S HA -0.103 4.367 4.470 0.000 0.000 0.233 29 S C 1.909 176.516 174.600 0.011 0.000 1.006 29 S CA 0.375 58.558 58.200 -0.029 0.000 0.957 29 S CB -0.174 63.012 63.200 -0.022 0.000 0.773 29 S HN 0.271 nan 8.310 nan 0.000 0.507 30 L N 1.140 122.408 121.223 0.075 0.000 2.145 30 L HA 0.489 4.829 4.340 0.000 0.000 0.201 30 L C 0.441 177.375 176.870 0.107 0.000 1.075 30 L CA 1.169 56.088 54.840 0.132 0.000 0.773 30 L CB -0.290 41.630 42.059 -0.232 0.000 0.936 30 L HN 0.641 nan 8.230 nan 0.000 0.451 31 M N -3.023 116.592 119.600 0.024 0.000 2.325 31 M HA 0.392 4.873 4.480 0.000 0.000 0.285 31 M C -0.051 176.231 176.300 -0.029 0.000 1.119 31 M CA -0.457 54.834 55.300 -0.016 0.000 0.959 31 M CB 1.792 34.400 32.600 0.013 0.000 1.737 31 M HN -0.260 nan 8.290 nan 0.000 0.486 32 R N 0.866 121.267 120.500 -0.165 0.000 2.173 32 R HA 0.221 4.561 4.340 0.000 0.000 0.208 32 R C -0.234 176.113 176.300 0.078 0.000 1.035 32 R CA 0.804 56.840 56.100 -0.105 0.000 1.004 32 R CB 0.242 30.372 30.300 -0.283 0.000 0.917 32 R HN 0.583 nan 8.270 nan 0.000 0.462 33 F N 2.245 122.210 119.950 0.026 0.000 2.669 33 F HA 0.095 4.622 4.527 0.000 0.000 0.353 33 F C 1.200 176.958 175.800 -0.070 0.000 1.192 33 F CA -0.967 56.992 58.000 -0.068 0.000 1.317 33 F CB -0.827 38.153 39.000 -0.035 0.000 1.652 33 F HN 0.177 nan 8.300 nan 0.000 0.608 34 H N -1.573 117.632 119.070 0.226 0.000 2.422 34 H HA -0.133 4.423 4.556 0.000 0.000 0.298 34 H C 1.514 176.947 175.328 0.176 0.000 1.098 34 H CA 1.678 57.827 56.048 0.168 0.000 1.315 34 H CB -0.270 29.558 29.762 0.110 0.000 1.382 34 H HN 0.150 nan 8.280 nan 0.000 0.523 35 N N 0.881 119.451 118.700 -0.217 0.000 2.453 35 N HA -0.086 4.654 4.740 0.000 0.000 0.183 35 N C 1.089 176.641 175.510 0.070 0.000 1.041 35 N CA 0.906 53.944 53.050 -0.020 0.000 0.900 35 N CB -0.021 38.388 38.487 -0.130 0.000 0.961 35 N HN 0.582 nan 8.380 nan 0.000 0.443 36 K N 0.245 120.702 120.400 0.094 0.000 2.418 36 K HA 0.092 4.412 4.320 0.000 0.000 0.195 36 K C 0.236 176.991 176.600 0.259 0.000 1.035 36 K CA 0.182 56.555 56.287 0.144 0.000 1.003 36 K CB 0.563 33.145 32.500 0.137 0.000 0.793 36 K HN -0.064 nan 8.250 nan 0.000 0.494 37 V N 2.351 122.436 119.914 0.284 0.000 2.546 37 V HA 0.174 4.294 4.120 0.000 0.000 0.284 37 V C -0.465 175.891 176.094 0.435 0.000 1.050 37 V CA -0.641 61.855 62.300 0.327 0.000 0.981 37 V CB 0.235 32.256 31.823 0.330 0.000 0.990 37 V HN 0.185 nan 8.190 nan 0.000 0.474 38 Y N 1.537 121.950 120.300 0.189 0.000 2.625 38 Y HA 0.798 5.348 4.550 0.000 0.000 0.338 38 Y C -0.533 175.358 175.900 -0.015 0.000 1.123 38 Y CA -1.377 56.820 58.100 0.162 0.000 1.046 38 Y CB 1.705 40.246 38.460 0.136 0.000 1.299 38 Y HN 0.456 nan 8.280 nan 0.000 0.464 39 S N 1.177 116.830 115.700 -0.079 0.000 2.482 39 S HA 0.598 5.068 4.470 0.000 0.000 0.303 39 S C -0.568 174.053 174.600 0.035 0.000 1.091 39 S CA -0.239 57.764 58.200 -0.328 0.000 1.057 39 S CB 0.671 63.525 63.200 -0.576 0.000 1.031 39 S HN 1.117 nan 8.310 nan 0.000 0.485 40 T N 1.872 116.450 114.554 0.040 0.000 2.918 40 T HA 0.564 4.914 4.350 0.000 0.000 0.302 40 T C 0.424 175.176 174.700 0.087 0.000 1.045 40 T CA -0.187 62.007 62.100 0.156 0.000 1.114 40 T CB 0.758 69.738 68.868 0.187 0.000 0.965 40 T HN 0.839 nan 8.240 nan 0.000 0.540 41 T N -2.021 112.593 114.554 0.099 0.000 2.778 41 T HA 0.477 4.827 4.350 0.000 0.000 0.293 41 T C 1.372 176.108 174.700 0.060 0.000 1.144 41 T CA -0.234 61.911 62.100 0.076 0.000 1.010 41 T CB 1.113 70.032 68.868 0.085 0.000 1.325 41 T HN 0.755 nan 8.240 nan 0.000 0.515 42 S N -0.180 115.550 115.700 0.049 0.000 2.500 42 S HA -0.111 4.359 4.470 0.000 0.000 0.239 42 S C 1.753 176.364 174.600 0.019 0.000 0.989 42 S CA 0.476 58.695 58.200 0.032 0.000 0.951 42 S CB -0.690 62.529 63.200 0.031 0.000 0.759 42 S HN 0.709 nan 8.310 nan 0.000 0.523 43 R N 1.496 122.013 120.500 0.028 0.000 2.148 43 R HA -0.009 4.331 4.340 0.000 0.000 0.227 43 R C 2.088 178.390 176.300 0.003 0.000 1.103 43 R CA 1.432 57.542 56.100 0.016 0.000 0.983 43 R CB -0.348 29.969 30.300 0.028 0.000 0.874 43 R HN 0.712 nan 8.270 nan 0.000 0.451 44 S N -0.891 114.816 115.700 0.011 0.000 2.577 44 S HA 0.245 4.716 4.470 0.000 0.000 0.219 44 S C 1.682 176.268 174.600 -0.023 0.000 0.962 44 S CA 0.121 58.320 58.200 -0.002 0.000 0.921 44 S CB 0.944 64.157 63.200 0.021 0.000 0.789 44 S HN 0.258 nan 8.310 nan 0.000 0.497 45 A N 2.346 125.147 122.820 -0.032 0.000 1.902 45 A HA 0.011 4.332 4.320 0.000 0.000 0.217 45 A C 2.354 179.854 177.584 -0.139 0.000 1.181 45 A CA 1.757 53.757 52.037 -0.061 0.000 0.623 45 A CB -1.154 17.816 19.000 -0.050 0.000 0.818 45 A HN 0.539 nan 8.150 nan 0.000 0.443 46 S N -0.047 115.559 115.700 -0.156 0.000 2.399 46 S HA -0.097 4.373 4.470 0.000 0.000 0.231 46 S C 1.767 176.256 174.600 -0.186 0.000 1.022 46 S CA 1.401 59.463 58.200 -0.230 0.000 0.983 46 S CB -0.455 62.635 63.200 -0.183 0.000 0.803 46 S HN 0.519 nan 8.310 nan 0.000 0.480 47 L N 0.865 122.022 121.223 -0.109 0.000 2.046 47 L HA -0.095 4.246 4.340 0.000 0.000 0.208 47 L C 2.661 179.497 176.870 -0.057 0.000 1.077 47 L CA 1.281 56.078 54.840 -0.072 0.000 0.747 47 L CB -0.418 41.615 42.059 -0.044 0.000 0.896 47 L HN 0.190 nan 8.230 nan 0.000 0.432 48 R N 0.824 121.292 120.500 -0.053 0.000 2.092 48 R HA -0.092 4.248 4.340 0.000 0.000 0.231 48 R C 2.192 178.472 176.300 -0.035 0.000 1.119 48 R CA 1.571 57.660 56.100 -0.017 0.000 0.970 48 R CB -0.634 29.666 30.300 0.000 0.000 0.864 48 R HN 0.285 nan 8.270 nan 0.000 0.440 49 A N 1.032 123.753 122.820 -0.164 0.000 1.908 49 A HA -0.176 4.144 4.320 0.000 0.000 0.218 49 A C 1.958 179.470 177.584 -0.120 0.000 1.181 49 A CA 1.780 53.636 52.037 -0.302 0.000 0.627 49 A CB -0.447 18.016 19.000 -0.895 0.000 0.818 49 A HN 0.403 nan 8.150 nan 0.000 0.445 50 K N -0.232 120.100 120.400 -0.113 0.000 2.057 50 K HA -0.127 4.193 4.320 0.000 0.000 0.207 50 K C 2.055 178.734 176.600 0.132 0.000 1.049 50 K CA 1.490 57.785 56.287 0.014 0.000 0.931 50 K CB -0.217 32.273 32.500 -0.017 0.000 0.714 50 K HN 0.409 nan 8.250 nan 0.000 0.440 51 K N 0.828 121.294 120.400 0.110 0.000 2.103 51 K HA -0.115 4.205 4.320 0.000 0.000 0.207 51 K C 1.996 178.791 176.600 0.325 0.000 1.048 51 K CA 1.595 57.981 56.287 0.164 0.000 0.930 51 K CB -0.058 32.507 32.500 0.107 0.000 0.716 51 K HN 0.142 nan 8.250 nan 0.000 0.444 52 V N -1.923 118.194 119.914 0.338 0.000 3.649 52 V HA 0.076 4.196 4.120 0.000 0.000 0.275 52 V C 0.419 176.775 176.094 0.435 0.000 1.281 52 V CA 0.108 62.681 62.300 0.454 0.000 1.143 52 V CB 0.239 32.283 31.823 0.369 0.000 0.892 52 V HN -0.066 nan 8.190 nan 0.000 0.441 53 T N 4.294 119.127 114.554 0.465 0.000 2.743 53 T HA 0.722 5.072 4.350 0.000 0.000 0.292 53 T C -0.749 174.185 174.700 0.390 0.000 0.972 53 T CA 0.008 62.346 62.100 0.397 0.000 0.967 53 T CB 0.285 69.478 68.868 0.542 0.000 0.926 53 T HN 0.633 nan 8.240 nan 0.000 0.459 54 F N -0.022 120.032 119.950 0.174 0.000 2.773 54 F HA 0.635 5.162 4.527 0.000 0.000 0.314 54 F C -1.097 174.740 175.800 0.063 0.000 1.160 54 F CA -1.620 56.443 58.000 0.105 0.000 0.920 54 F CB 0.693 39.743 39.000 0.085 0.000 1.323 54 F HN 0.201 nan 8.300 nan 0.000 0.457 55 D N 0.707 121.261 120.400 0.256 0.000 2.304 55 D HA 0.475 5.115 4.640 0.000 0.000 0.247 55 D C -0.889 175.520 176.300 0.181 0.000 1.089 55 D CA -0.042 54.036 54.000 0.129 0.000 0.910 55 D CB 1.000 41.864 40.800 0.105 0.000 1.199 55 D HN 0.561 nan 8.370 nan 0.000 0.426 56 R N 1.418 121.961 120.500 0.072 0.000 2.445 56 R HA 0.594 4.934 4.340 0.000 0.000 0.308 56 R C -0.962 175.363 176.300 0.043 0.000 0.961 56 R CA -0.770 55.379 56.100 0.081 0.000 0.862 56 R CB 1.970 32.279 30.300 0.016 0.000 1.144 56 R HN 0.135 nan 8.270 nan 0.000 0.447 57 V N 3.083 123.024 119.914 0.045 0.000 2.320 57 V HA 0.291 4.412 4.120 0.000 0.000 0.268 57 V C -0.400 175.700 176.094 0.010 0.000 1.021 57 V CA -0.748 61.565 62.300 0.020 0.000 0.813 57 V CB 0.891 32.727 31.823 0.022 0.000 1.054 57 V HN 0.657 nan 8.190 nan 0.000 0.444 58 Q N 2.662 122.459 119.800 -0.005 0.000 2.261 58 Q HA 0.624 4.964 4.340 0.000 0.000 0.252 58 Q C -1.270 174.717 176.000 -0.022 0.000 0.915 58 Q CA -0.260 55.535 55.803 -0.014 0.000 0.915 58 Q CB 1.864 30.575 28.738 -0.044 0.000 1.204 58 Q HN 0.541 nan 8.270 nan 0.000 0.421 59 V N 6.258 126.172 119.914 0.000 0.000 2.409 59 V HA 0.334 4.454 4.120 0.000 0.000 0.290 59 V C -0.323 175.800 176.094 0.048 0.000 1.017 59 V CA -0.617 61.686 62.300 0.004 0.000 0.841 59 V CB 1.231 33.059 31.823 0.009 0.000 1.003 59 V HN 0.765 nan 8.190 nan 0.000 0.426 60 L N 4.628 125.824 121.223 -0.045 0.000 2.399 60 L HA 0.763 5.103 4.340 0.000 0.000 0.265 60 L C -0.076 176.820 176.870 0.044 0.000 1.089 60 L CA -0.368 54.409 54.840 -0.104 0.000 0.802 60 L CB 1.497 43.318 42.059 -0.397 0.000 1.180 60 L HN 0.794 nan 8.230 nan 0.000 0.454 61 D N 0.034 120.515 120.400 0.135 0.000 2.798 61 D HA 0.394 5.034 4.640 0.000 0.000 0.308 61 D C 0.297 176.669 176.300 0.119 0.000 1.187 61 D CA -0.265 53.819 54.000 0.141 0.000 1.033 61 D CB 1.050 41.974 40.800 0.207 0.000 1.445 61 D HN 0.383 nan 8.370 nan 0.000 0.550 62 A N -0.874 121.952 122.820 0.010 0.000 1.969 62 A HA -0.164 4.156 4.320 0.000 0.000 0.218 62 A C 1.755 179.288 177.584 -0.085 0.000 1.169 62 A CA 1.244 53.235 52.037 -0.078 0.000 0.635 62 A CB -1.131 17.762 19.000 -0.178 0.000 0.810 62 A HN 0.620 nan 8.150 nan 0.000 0.445 63 H N -2.348 116.787 119.070 0.109 0.000 2.353 63 H HA -0.175 4.381 4.556 0.000 0.000 0.300 63 H C 2.027 177.391 175.328 0.059 0.000 1.090 63 H CA 1.950 58.056 56.048 0.097 0.000 1.327 63 H CB -0.640 29.211 29.762 0.149 0.000 1.383 63 H HN 0.728 nan 8.280 nan 0.000 0.508 64 Y N 2.431 122.756 120.300 0.043 0.000 2.145 64 Y HA -0.209 4.342 4.550 0.000 0.000 0.286 64 Y C 2.011 177.848 175.900 -0.105 0.000 1.145 64 Y CA 1.576 59.572 58.100 -0.173 0.000 1.148 64 Y CB -0.113 38.081 38.460 -0.444 0.000 0.981 64 Y HN 0.033 nan 8.280 nan 0.000 0.507 65 D N -0.357 120.126 120.400 0.138 0.000 2.133 65 D HA -0.220 4.420 4.640 0.000 0.000 0.195 65 D C 2.440 178.707 176.300 -0.055 0.000 0.997 65 D CA 1.939 55.973 54.000 0.055 0.000 0.840 65 D CB -0.651 40.186 40.800 0.062 0.000 0.947 65 D HN 0.513 nan 8.370 nan 0.000 0.452 66 S N 0.058 115.732 115.700 -0.043 0.000 2.406 66 S HA -0.071 4.399 4.470 0.000 0.000 0.228 66 S C 2.228 176.786 174.600 -0.069 0.000 1.020 66 S CA 0.641 58.816 58.200 -0.042 0.000 0.965 66 S CB -0.480 62.710 63.200 -0.017 0.000 0.798 66 S HN 0.088 nan 8.310 nan 0.000 0.488 67 V N 1.790 121.634 119.914 -0.117 0.000 2.358 67 V HA -0.075 4.045 4.120 0.000 0.000 0.246 67 V C 2.513 178.505 176.094 -0.171 0.000 1.047 67 V CA 1.693 63.910 62.300 -0.139 0.000 1.035 67 V CB -0.866 30.841 31.823 -0.194 0.000 0.658 67 V HN 0.498 nan 8.190 nan 0.000 0.452 68 L N 0.083 121.121 121.223 -0.308 0.000 2.079 68 L HA -0.226 4.114 4.340 0.000 0.000 0.210 68 L C 2.459 179.257 176.870 -0.120 0.000 1.081 68 L CA 2.213 56.896 54.840 -0.261 0.000 0.752 68 L CB -0.788 41.060 42.059 -0.351 0.000 0.896 68 L HN 0.399 nan 8.230 nan 0.000 0.433 69 Q N -0.989 118.757 119.800 -0.090 0.000 2.124 69 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 69 Q C 1.677 177.657 176.000 -0.033 0.000 0.977 69 Q CA 1.911 57.685 55.803 -0.047 0.000 0.850 69 Q CB -0.011 28.707 28.738 -0.033 0.000 0.901 69 Q HN 0.554 nan 8.270 nan 0.000 0.429 70 D N -0.497 119.885 120.400 -0.029 0.000 2.144 70 D HA -0.124 4.516 4.640 0.000 0.000 0.200 70 D C 1.903 178.202 176.300 -0.002 0.000 0.978 70 D CA 0.929 54.926 54.000 -0.006 0.000 0.833 70 D CB -0.053 40.754 40.800 0.012 0.000 0.961 70 D HN 0.125 nan 8.370 nan 0.000 0.470 71 V N 0.948 120.857 119.914 -0.008 0.000 2.358 71 V HA -0.201 3.919 4.120 0.000 0.000 0.246 71 V C 2.282 178.359 176.094 -0.028 0.000 1.047 71 V CA 1.466 63.761 62.300 -0.009 0.000 1.035 71 V CB -0.273 31.547 31.823 -0.004 0.000 0.658 71 V HN 0.163 nan 8.190 nan 0.000 0.452 72 K N -0.461 119.919 120.400 -0.033 0.000 2.097 72 K HA -0.137 4.183 4.320 0.000 0.000 0.206 72 K C 2.430 179.019 176.600 -0.019 0.000 1.049 72 K CA 1.139 57.409 56.287 -0.028 0.000 0.933 72 K CB -0.205 32.277 32.500 -0.029 0.000 0.717 72 K HN 0.311 nan 8.250 nan 0.000 0.442 73 R N 0.416 120.906 120.500 -0.016 0.000 2.073 73 R HA -0.090 4.250 4.340 0.000 0.000 0.234 73 R C 2.372 178.666 176.300 -0.011 0.000 1.134 73 R CA 1.363 57.457 56.100 -0.011 0.000 0.952 73 R CB -0.341 29.954 30.300 -0.007 0.000 0.850 73 R HN 0.182 nan 8.270 nan 0.000 0.433 74 A N 0.894 123.705 122.820 -0.014 0.000 1.940 74 A HA -0.147 4.174 4.320 0.000 0.000 0.219 74 A C 2.280 179.849 177.584 -0.025 0.000 1.176 74 A CA 1.812 53.838 52.037 -0.019 0.000 0.631 74 A CB -0.524 18.460 19.000 -0.026 0.000 0.814 74 A HN 0.448 nan 8.150 nan 0.000 0.446 75 A N 0.211 123.016 122.820 -0.025 0.000 2.015 75 A HA -0.031 4.289 4.320 0.000 0.000 0.219 75 A C 2.393 179.973 177.584 -0.007 0.000 1.163 75 A CA 1.949 53.975 52.037 -0.018 0.000 0.646 75 A CB -0.866 18.127 19.000 -0.011 0.000 0.806 75 A HN 1.059 nan 8.150 nan 0.000 0.448 76 S N -0.073 115.624 115.700 -0.006 0.000 2.469 76 S HA -0.106 4.364 4.470 0.000 0.000 0.238 76 S C 1.494 176.092 174.600 -0.003 0.000 0.998 76 S CA 1.298 59.497 58.200 -0.002 0.000 0.957 76 S CB -0.363 62.836 63.200 -0.003 0.000 0.764 76 S HN 0.608 nan 8.310 nan 0.000 0.514 77 K N 0.737 121.133 120.400 -0.007 0.000 2.487 77 K HA 0.196 4.516 4.320 0.000 0.000 0.192 77 K C -0.277 176.318 176.600 -0.008 0.000 1.027 77 K CA 0.088 56.370 56.287 -0.007 0.000 1.054 77 K CB 0.147 32.641 32.500 -0.010 0.000 0.824 77 K HN 0.286 nan 8.250 nan 0.000 0.510 78 V N 1.475 121.384 119.914 -0.008 0.000 2.481 78 V HA 0.144 4.264 4.120 0.000 0.000 0.286 78 V C -0.037 176.058 176.094 0.001 0.000 1.042 78 V CA -0.520 61.775 62.300 -0.009 0.000 0.928 78 V CB 1.655 33.470 31.823 -0.013 0.000 0.986 78 V HN 0.004 nan 8.190 nan 0.000 0.462 79 S N 2.903 118.603 115.700 0.001 0.000 2.482 79 S HA 0.900 5.370 4.470 0.000 0.000 0.303 79 S C -0.164 174.440 174.600 0.007 0.000 1.091 79 S CA -0.421 57.783 58.200 0.007 0.000 1.057 79 S CB 1.848 65.052 63.200 0.007 0.000 1.031 79 S HN 1.116 nan 8.310 nan 0.000 0.485 80 A N 2.575 125.403 122.820 0.014 0.000 2.566 80 A HA 0.903 5.223 4.320 0.000 0.000 0.292 80 A C -0.673 176.926 177.584 0.025 0.000 1.112 80 A CA -1.104 50.942 52.037 0.016 0.000 0.707 80 A CB 1.453 20.460 19.000 0.012 0.000 1.302 80 A HN 0.901 nan 8.150 nan 0.000 0.409 81 R N 0.151 120.668 120.500 0.028 0.000 2.919 81 R HA 0.806 5.146 4.340 0.000 0.000 0.260 81 R C -1.337 174.986 176.300 0.037 0.000 1.067 81 R CA -0.808 55.310 56.100 0.030 0.000 1.003 81 R CB 0.513 30.824 30.300 0.018 0.000 1.192 81 R HN 0.388 nan 8.270 nan 0.000 0.488 82 L N 1.436 122.679 121.223 0.033 0.000 2.461 82 L HA 0.201 4.542 4.340 0.000 0.000 0.272 82 L C -0.170 176.679 176.870 -0.035 0.000 1.197 82 L CA -0.219 54.630 54.840 0.015 0.000 0.836 82 L CB 0.392 42.453 42.059 0.004 0.000 1.105 82 L HN 0.522 nan 8.230 nan 0.000 0.477 83 L N 1.671 122.850 121.223 -0.073 0.000 2.375 83 L HA 0.388 4.728 4.340 0.000 0.000 0.271 83 L C 0.823 177.574 176.870 -0.199 0.000 1.107 83 L CA -0.023 54.749 54.840 -0.113 0.000 0.806 83 L CB 1.222 43.205 42.059 -0.126 0.000 1.146 83 L HN 0.844 nan 8.230 nan 0.000 0.447 84 T N -0.727 113.721 114.554 -0.178 0.000 2.766 84 T HA 0.193 4.543 4.350 0.000 0.000 0.295 84 T C 1.401 175.954 174.700 -0.245 0.000 1.024 84 T CA -0.639 61.334 62.100 -0.212 0.000 1.018 84 T CB 0.506 69.283 68.868 -0.152 0.000 1.002 84 T HN 0.259 nan 8.240 nan 0.000 0.532 85 V N 1.482 121.238 119.914 -0.262 0.000 2.392 85 V HA -0.134 3.986 4.120 0.000 0.000 0.249 85 V C 2.727 178.712 176.094 -0.181 0.000 1.059 85 V CA 2.122 64.277 62.300 -0.242 0.000 1.051 85 V CB -1.144 30.543 31.823 -0.226 0.000 0.658 85 V HN 0.869 nan 8.190 nan 0.000 0.455 86 E N 0.111 120.218 120.200 -0.155 0.000 2.047 86 E HA -0.176 4.174 4.350 0.000 0.000 0.191 86 E C 2.231 178.755 176.600 -0.127 0.000 0.987 86 E CA 1.231 57.556 56.400 -0.125 0.000 0.799 86 E CB -0.245 29.392 29.700 -0.104 0.000 0.752 86 E HN 0.649 nan 8.360 nan 0.000 0.449 87 E N 0.289 120.406 120.200 -0.139 0.000 2.085 87 E HA -0.219 4.131 4.350 0.000 0.000 0.194 87 E C 2.036 178.516 176.600 -0.199 0.000 0.994 87 E CA 1.086 57.395 56.400 -0.151 0.000 0.801 87 E CB -0.173 29.441 29.700 -0.144 0.000 0.743 87 E HN 0.284 nan 8.360 nan 0.000 0.453 88 A N 0.577 123.271 122.820 -0.210 0.000 1.898 88 A HA -0.186 4.134 4.320 0.000 0.000 0.216 88 A C 2.416 179.893 177.584 -0.178 0.000 1.181 88 A CA 1.153 53.053 52.037 -0.229 0.000 0.620 88 A CB -0.817 18.055 19.000 -0.215 0.000 0.819 88 A HN 0.376 nan 8.150 nan 0.000 0.442 89 C N -0.903 118.311 119.300 -0.143 0.000 2.413 89 C HA 0.004 4.464 4.460 0.000 0.000 0.276 89 C C 3.176 178.103 174.990 -0.105 0.000 1.248 89 C CA 0.919 59.871 59.018 -0.110 0.000 1.742 89 C CB -1.312 26.367 27.740 -0.102 0.000 2.017 89 C HN 0.690 nan 8.230 nan 0.000 0.481 90 A N -0.484 122.273 122.820 -0.104 0.000 2.167 90 A HA 0.130 4.450 4.320 0.000 0.000 0.214 90 A C 1.811 179.368 177.584 -0.044 0.000 1.151 90 A CA 0.864 52.861 52.037 -0.067 0.000 0.735 90 A CB -0.401 18.565 19.000 -0.058 0.000 0.802 90 A HN 0.664 nan 8.150 nan 0.000 0.467 91 L N -0.228 120.924 121.223 -0.117 0.000 2.592 91 L HA 0.065 4.405 4.340 0.000 0.000 0.227 91 L C 0.179 177.006 176.870 -0.072 0.000 1.127 91 L CA 0.020 54.787 54.840 -0.121 0.000 0.884 91 L CB 0.006 41.879 42.059 -0.310 0.000 1.065 91 L HN 0.088 nan 8.230 nan 0.000 0.457 92 T N 1.958 116.457 114.554 -0.091 0.000 2.749 92 T HA 0.236 4.586 4.350 0.000 0.000 0.295 92 T C -2.310 172.266 174.700 -0.207 0.000 0.936 92 T CA -1.174 60.860 62.100 -0.111 0.000 1.060 92 T CB 1.088 69.897 68.868 -0.098 0.000 0.904 92 T HN -0.144 nan 8.240 nan 0.000 0.500 93 P HA 0.113 nan 4.420 nan 0.000 0.266 93 P C -1.883 175.150 177.300 -0.446 0.000 1.195 93 P CA -1.296 61.576 63.100 -0.380 0.000 0.768 93 P CB 0.156 31.749 31.700 -0.179 0.000 0.838 94 P HA -0.163 nan 4.420 nan 0.000 0.218 94 P C 0.560 177.458 177.300 -0.670 0.000 1.146 94 P CA 1.732 64.455 63.100 -0.628 0.000 0.813 94 P CB -0.112 31.166 31.700 -0.702 0.000 0.778 95 H N -2.374 116.585 119.070 -0.185 0.000 2.486 95 H HA 0.270 4.826 4.556 0.000 0.000 0.284 95 H C 0.340 175.595 175.328 -0.120 0.000 1.103 95 H CA -0.310 55.661 56.048 -0.128 0.000 1.089 95 H CB 0.151 29.847 29.762 -0.110 0.000 1.603 95 H HN 0.034 nan 8.280 nan 0.000 0.557 96 S N 1.282 116.933 115.700 -0.083 0.000 2.558 96 S HA 0.259 4.729 4.470 0.000 0.000 0.288 96 S C 0.713 175.272 174.600 -0.068 0.000 1.318 96 S CA -0.527 57.624 58.200 -0.083 0.000 1.056 96 S CB 0.315 63.463 63.200 -0.087 0.000 0.853 96 S HN 0.540 nan 8.310 nan 0.000 0.505 97 A N 4.753 127.520 122.820 -0.088 0.000 2.540 97 A HA 0.228 4.548 4.320 0.000 0.000 0.239 97 A C 0.534 178.092 177.584 -0.044 0.000 1.061 97 A CA -0.176 51.823 52.037 -0.063 0.000 0.758 97 A CB -0.141 18.801 19.000 -0.097 0.000 0.991 97 A HN 0.858 nan 8.150 nan 0.000 0.502 98 K N 2.264 122.632 120.400 -0.053 0.000 2.380 98 K HA 0.283 4.603 4.320 0.000 0.000 0.267 98 K C 0.341 176.839 176.600 -0.170 0.000 0.990 98 K CA 0.065 56.282 56.287 -0.117 0.000 0.946 98 K CB 0.399 32.836 32.500 -0.105 0.000 0.937 98 K HN 0.428 nan 8.250 nan 0.000 0.491 99 S N 0.054 115.527 115.700 -0.378 0.000 2.585 99 S HA 0.030 4.500 4.470 0.000 0.000 0.273 99 S C 1.030 175.421 174.600 -0.350 0.000 1.339 99 S CA -0.644 57.292 58.200 -0.440 0.000 1.028 99 S CB 0.572 63.144 63.200 -1.046 0.000 0.906 99 S HN 0.790 nan 8.310 nan 0.000 0.528 100 R N 1.844 122.161 120.500 -0.304 0.000 2.323 100 R HA 0.069 4.409 4.340 0.000 0.000 0.198 100 R C -0.136 175.851 176.300 -0.522 0.000 0.988 100 R CA 1.076 56.933 56.100 -0.406 0.000 1.041 100 R CB -0.327 29.690 30.300 -0.473 0.000 0.926 100 R HN 0.659 nan 8.270 nan 0.000 0.476 101 Y N 0.550 120.667 120.300 -0.305 0.000 2.756 101 Y HA 0.385 4.935 4.550 0.000 0.000 0.300 101 Y C 1.034 176.884 175.900 -0.082 0.000 1.113 101 Y CA -0.158 57.808 58.100 -0.223 0.000 1.291 101 Y CB 1.039 39.246 38.460 -0.421 0.000 1.175 101 Y HN 0.348 nan 8.280 nan 0.000 0.534 102 G N 0.487 109.270 108.800 -0.027 0.000 2.132 102 G HA2 -0.268 3.692 3.960 0.000 0.000 0.228 102 G HA3 -0.268 3.692 3.960 0.000 0.000 0.228 102 G C -0.295 174.718 174.900 0.189 0.000 1.000 102 G CA 0.218 45.361 45.100 0.071 0.000 0.693 102 G HN 0.469 nan 8.290 nan 0.000 0.515 103 F N -2.400 117.536 119.950 -0.024 0.000 2.713 103 F HA 0.829 5.356 4.527 0.000 0.000 0.311 103 F C 0.235 176.024 175.800 -0.019 0.000 1.141 103 F CA -0.788 57.199 58.000 -0.022 0.000 0.939 103 F CB 0.655 39.643 39.000 -0.021 0.000 1.325 103 F HN 0.561 nan 8.300 nan 0.000 0.453 104 G N -0.324 108.543 108.800 0.112 0.000 3.105 104 G HA2 0.575 4.535 3.960 0.000 0.000 0.277 104 G HA3 0.575 4.535 3.960 0.000 0.000 0.277 104 G C 0.166 175.125 174.900 0.097 0.000 1.375 104 G CA -0.616 44.486 45.100 0.004 0.000 0.962 104 G HN 1.183 nan 8.290 nan 0.000 0.541 105 A N -0.431 122.387 122.820 -0.002 0.000 1.940 105 A HA -0.037 4.283 4.320 0.000 0.000 0.219 105 A C 2.134 179.677 177.584 -0.067 0.000 1.176 105 A CA 2.285 54.298 52.037 -0.040 0.000 0.631 105 A CB -0.523 18.400 19.000 -0.127 0.000 0.814 105 A HN 0.617 nan 8.150 nan 0.000 0.446 106 K N -0.384 119.969 120.400 -0.079 0.000 2.044 106 K HA -0.250 4.070 4.320 0.000 0.000 0.210 106 K C 1.821 178.398 176.600 -0.037 0.000 1.049 106 K CA 1.997 58.234 56.287 -0.082 0.000 0.927 106 K CB -0.143 32.317 32.500 -0.066 0.000 0.713 106 K HN 0.433 nan 8.250 nan 0.000 0.443 107 E N 0.078 120.291 120.200 0.021 0.000 2.106 107 E HA -0.107 4.243 4.350 0.000 0.000 0.192 107 E C 1.904 178.495 176.600 -0.015 0.000 0.984 107 E CA 0.855 57.267 56.400 0.021 0.000 0.806 107 E CB -0.050 29.703 29.700 0.090 0.000 0.750 107 E HN 0.075 nan 8.360 nan 0.000 0.458 108 V N 0.952 120.887 119.914 0.035 0.000 2.261 108 V HA -0.288 3.832 4.120 0.000 0.000 0.246 108 V C 2.151 178.210 176.094 -0.058 0.000 1.047 108 V CA 2.038 64.334 62.300 -0.007 0.000 1.015 108 V CB -0.383 31.474 31.823 0.056 0.000 0.642 108 V HN 0.212 nan 8.190 nan 0.000 0.446 109 R N 0.714 121.171 120.500 -0.071 0.000 2.115 109 R HA -0.107 4.233 4.340 0.000 0.000 0.230 109 R C 2.357 178.612 176.300 -0.076 0.000 1.111 109 R CA 1.593 57.638 56.100 -0.091 0.000 0.976 109 R CB -0.469 29.753 30.300 -0.131 0.000 0.870 109 R HN 0.680 nan 8.270 nan 0.000 0.445 110 S N 0.578 116.238 115.700 -0.068 0.000 2.603 110 S HA 0.057 4.527 4.470 0.000 0.000 0.220 110 S C 0.942 175.503 174.600 -0.064 0.000 0.967 110 S CA -0.027 58.138 58.200 -0.059 0.000 0.920 110 S CB -0.256 62.914 63.200 -0.050 0.000 0.773 110 S HN 0.356 nan 8.310 nan 0.000 0.529 111 L N 1.639 122.816 121.223 -0.078 0.000 3.634 111 L HA -0.177 4.163 4.340 0.000 0.000 0.423 111 L C 0.619 177.431 176.870 -0.095 0.000 1.253 111 L CA 0.209 54.994 54.840 -0.092 0.000 0.885 111 L CB -3.017 38.993 42.059 -0.082 0.000 1.789 111 L HN 0.644 nan 8.230 nan 0.000 0.904 112 S N -0.475 115.165 115.700 -0.100 0.000 2.563 112 S HA 0.237 4.707 4.470 0.000 0.000 0.284 112 S C 1.402 175.924 174.600 -0.130 0.000 1.331 112 S CA 0.166 58.307 58.200 -0.098 0.000 1.047 112 S CB 1.250 64.397 63.200 -0.088 0.000 0.859 112 S HN 0.409 nan 8.310 nan 0.000 0.514 113 R N 1.347 121.786 120.500 -0.101 0.000 2.096 113 R HA -0.076 4.264 4.340 0.000 0.000 0.235 113 R C 2.615 178.838 176.300 -0.129 0.000 1.127 113 R CA 1.652 57.692 56.100 -0.100 0.000 0.968 113 R CB -0.324 29.937 30.300 -0.066 0.000 0.861 113 R HN 0.769 nan 8.270 nan 0.000 0.440 114 R N 0.636 121.051 120.500 -0.141 0.000 2.075 114 R HA -0.089 4.251 4.340 0.000 0.000 0.232 114 R C 2.129 178.193 176.300 -0.393 0.000 1.126 114 R CA 1.481 57.483 56.100 -0.164 0.000 0.963 114 R CB -0.175 30.074 30.300 -0.085 0.000 0.858 114 R HN 0.232 nan 8.270 nan 0.000 0.435 115 A N 0.185 122.633 122.820 -0.621 0.000 1.873 115 A HA -0.076 4.244 4.320 0.000 0.000 0.215 115 A C 2.229 179.482 177.584 -0.551 0.000 1.186 115 A CA 1.447 52.792 52.037 -1.152 0.000 0.616 115 A CB -0.467 18.035 19.000 -0.830 0.000 0.823 115 A HN 0.221 nan 8.150 nan 0.000 0.442 116 V N 0.894 120.622 119.914 -0.310 0.000 2.379 116 V HA -0.214 3.906 4.120 0.000 0.000 0.245 116 V C 2.263 178.270 176.094 -0.146 0.000 1.044 116 V CA 1.979 64.163 62.300 -0.193 0.000 1.036 116 V CB -1.021 30.710 31.823 -0.152 0.000 0.664 116 V HN 0.517 nan 8.190 nan 0.000 0.453 117 N N -0.029 118.593 118.700 -0.130 0.000 2.104 117 N HA -0.217 4.523 4.740 0.000 0.000 0.190 117 N C 1.827 177.302 175.510 -0.057 0.000 1.024 117 N CA 2.002 55.005 53.050 -0.079 0.000 0.853 117 N CB -0.521 37.933 38.487 -0.055 0.000 1.008 117 N HN 0.709 nan 8.380 nan 0.000 0.424 118 H N 0.527 119.502 119.070 -0.157 0.000 2.299 118 H HA 0.124 4.680 4.556 0.000 0.000 0.302 118 H C 2.117 177.411 175.328 -0.056 0.000 1.078 118 H CA 1.414 57.404 56.048 -0.097 0.000 1.323 118 H CB -0.345 29.404 29.762 -0.023 0.000 1.381 118 H HN 0.108 nan 8.280 nan 0.000 0.498 119 I N 0.284 120.820 120.570 -0.056 0.000 2.151 119 I HA -0.349 3.821 4.170 0.000 0.000 0.243 119 I C 2.651 178.726 176.117 -0.071 0.000 1.080 119 I CA 1.643 62.912 61.300 -0.051 0.000 1.339 119 I CB -0.312 37.664 38.000 -0.040 0.000 1.039 119 I HN 0.302 nan 8.210 nan 0.000 0.409 120 R N 0.108 120.557 120.500 -0.083 0.000 2.091 120 R HA -0.140 4.200 4.340 0.000 0.000 0.238 120 R C 2.491 178.789 176.300 -0.004 0.000 1.136 120 R CA 1.778 57.855 56.100 -0.039 0.000 0.959 120 R CB -0.391 29.870 30.300 -0.064 0.000 0.856 120 R HN 0.332 nan 8.270 nan 0.000 0.437 121 S N 0.335 115.977 115.700 -0.097 0.000 2.368 121 S HA -0.095 4.375 4.470 0.000 0.000 0.225 121 S C 2.109 176.623 174.600 -0.143 0.000 1.030 121 S CA 1.211 59.338 58.200 -0.121 0.000 0.999 121 S CB -0.142 62.952 63.200 -0.177 0.000 0.844 121 S HN 0.081 nan 8.310 nan 0.000 0.459 122 V N 1.113 120.886 119.914 -0.234 0.000 2.407 122 V HA -0.171 3.949 4.120 0.000 0.000 0.248 122 V C 1.928 178.004 176.094 -0.030 0.000 1.055 122 V CA 1.437 63.629 62.300 -0.181 0.000 1.049 122 V CB -0.653 31.042 31.823 -0.213 0.000 0.662 122 V HN 0.699 nan 8.190 nan 0.000 0.455 123 W N 1.230 122.442 121.300 -0.146 0.000 2.358 123 W HA -0.153 4.507 4.660 0.000 0.000 0.303 123 W C 2.236 178.701 176.519 -0.090 0.000 1.208 123 W CA 1.926 59.208 57.345 -0.104 0.000 1.274 123 W CB -0.019 29.385 29.460 -0.092 0.000 1.138 123 W HN 0.365 nan 8.180 nan 0.000 0.515 124 E N 0.034 120.278 120.200 0.074 0.000 2.152 124 E HA -0.241 4.109 4.350 0.000 0.000 0.192 124 E C 1.585 178.124 176.600 -0.102 0.000 0.983 124 E CA 1.596 57.986 56.400 -0.017 0.000 0.818 124 E CB -0.398 29.324 29.700 0.036 0.000 0.758 124 E HN 0.255 nan 8.360 nan 0.000 0.467 125 D N 0.451 120.789 120.400 -0.103 0.000 2.219 125 D HA -0.116 4.524 4.640 0.000 0.000 0.205 125 D C 1.817 178.018 176.300 -0.164 0.000 0.970 125 D CA 0.661 54.592 54.000 -0.114 0.000 0.851 125 D CB 0.108 40.847 40.800 -0.101 0.000 0.943 125 D HN 0.073 nan 8.370 nan 0.000 0.488 126 L N -0.153 120.928 121.223 -0.237 0.000 2.156 126 L HA -0.036 4.305 4.340 0.000 0.000 0.208 126 L C 2.289 178.954 176.870 -0.342 0.000 1.095 126 L CA 0.443 55.095 54.840 -0.313 0.000 0.770 126 L CB -0.192 41.617 42.059 -0.417 0.000 0.914 126 L HN 0.186 nan 8.230 nan 0.000 0.439 127 L N -0.756 120.245 121.223 -0.370 0.000 2.291 127 L HA -0.149 4.191 4.340 0.000 0.000 0.214 127 L C 2.216 178.987 176.870 -0.165 0.000 1.120 127 L CA 1.103 55.772 54.840 -0.286 0.000 0.799 127 L CB -0.156 41.748 42.059 -0.259 0.000 0.925 127 L HN 0.300 nan 8.230 nan 0.000 0.446 128 E N -1.402 118.716 120.200 -0.138 0.000 2.244 128 E HA -0.029 4.321 4.350 0.000 0.000 0.196 128 E C 0.165 176.721 176.600 -0.073 0.000 0.939 128 E CA 0.083 56.433 56.400 -0.083 0.000 0.884 128 E CB 0.516 30.179 29.700 -0.062 0.000 0.850 128 E HN 0.143 nan 8.360 nan 0.000 0.481 129 D N 0.416 120.756 120.400 -0.100 0.000 2.408 129 D HA 0.111 4.751 4.640 0.000 0.000 0.243 129 D C -0.268 175.930 176.300 -0.169 0.000 1.075 129 D CA -0.173 53.777 54.000 -0.084 0.000 0.832 129 D CB 1.391 42.153 40.800 -0.063 0.000 1.162 129 D HN -0.143 nan 8.370 nan 0.000 0.515 130 Q N 2.042 121.695 119.800 -0.244 0.000 2.179 130 Q HA 0.148 4.488 4.340 0.000 0.000 0.213 130 Q C 0.201 175.700 176.000 -0.835 0.000 0.833 130 Q CA -0.090 55.377 55.803 -0.560 0.000 0.990 130 Q CB 1.007 29.355 28.738 -0.650 0.000 1.132 130 Q HN 0.538 nan 8.270 nan 0.000 0.493 131 H N -1.829 117.173 119.070 -0.113 0.000 3.412 131 H HA 0.116 4.672 4.556 0.000 0.000 0.233 131 H C 0.122 175.414 175.328 -0.061 0.000 0.953 131 H CA 0.169 56.164 56.048 -0.088 0.000 1.049 131 H CB 0.817 30.543 29.762 -0.060 0.000 1.406 131 H HN -0.022 nan 8.280 nan 0.000 0.557 132 T N 5.776 120.356 114.554 0.044 0.000 2.784 132 T HA 0.143 4.493 4.350 0.000 0.000 0.291 132 T C -2.398 172.303 174.700 0.002 0.000 0.942 132 T CA -0.924 61.192 62.100 0.027 0.000 1.161 132 T CB 1.083 69.959 68.868 0.012 0.000 0.885 132 T HN 0.038 nan 8.240 nan 0.000 0.534 133 P HA 0.157 nan 4.420 nan 0.000 0.266 133 P C -0.260 177.029 177.300 -0.017 0.000 1.195 133 P CA -0.112 62.991 63.100 0.005 0.000 0.768 133 P CB 0.404 32.141 31.700 0.063 0.000 0.838 134 I N 1.969 122.511 120.570 -0.047 0.000 2.385 134 I HA 0.177 4.347 4.170 0.000 0.000 0.294 134 I C 0.819 176.910 176.117 -0.043 0.000 0.988 134 I CA -0.551 60.726 61.300 -0.038 0.000 1.265 134 I CB 0.985 38.954 38.000 -0.051 0.000 1.388 134 I HN 0.317 nan 8.210 nan 0.000 0.480 135 D N 4.093 124.482 120.400 -0.019 0.000 2.399 135 D HA 0.194 4.834 4.640 0.000 0.000 0.241 135 D C -0.387 175.875 176.300 -0.062 0.000 1.133 135 D CA 0.267 54.244 54.000 -0.038 0.000 0.890 135 D CB 0.810 41.602 40.800 -0.013 0.000 1.201 135 D HN 0.609 nan 8.370 nan 0.000 0.432 136 T N -0.605 113.887 114.554 -0.104 0.000 2.906 136 T HA 0.593 4.943 4.350 0.000 0.000 0.295 136 T C -0.348 174.220 174.700 -0.220 0.000 1.061 136 T CA -0.984 61.022 62.100 -0.158 0.000 1.000 136 T CB 1.488 70.284 68.868 -0.121 0.000 1.103 136 T HN 0.230 nan 8.240 nan 0.000 0.486 137 T N 2.393 116.695 114.554 -0.421 0.000 2.875 137 T HA 0.570 4.920 4.350 0.000 0.000 0.284 137 T C -0.222 174.279 174.700 -0.332 0.000 0.995 137 T CA -0.612 61.235 62.100 -0.421 0.000 1.060 137 T CB 0.753 69.223 68.868 -0.664 0.000 0.967 137 T HN 0.736 nan 8.240 nan 0.000 0.476 138 I N 3.784 124.285 120.570 -0.114 0.000 2.354 138 I HA 0.512 4.682 4.170 0.000 0.000 0.292 138 I C -0.959 175.195 176.117 0.062 0.000 0.989 138 I CA -0.793 60.513 61.300 0.010 0.000 1.188 138 I CB 0.637 38.677 38.000 0.066 0.000 1.342 138 I HN 0.407 nan 8.210 nan 0.000 0.457 139 M N 6.497 126.175 119.600 0.131 0.000 2.572 139 M HA 0.490 4.970 4.480 0.000 0.000 0.299 139 M C -0.509 175.858 176.300 0.112 0.000 1.205 139 M CA -0.612 54.769 55.300 0.134 0.000 0.876 139 M CB 1.818 34.538 32.600 0.200 0.000 1.728 139 M HN 0.607 nan 8.290 nan 0.000 0.458 140 A N 2.546 125.415 122.820 0.081 0.000 2.362 140 A HA 0.426 4.746 4.320 0.000 0.000 0.276 140 A C 0.035 177.661 177.584 0.070 0.000 1.153 140 A CA -0.368 51.710 52.037 0.069 0.000 0.813 140 A CB 0.152 19.183 19.000 0.051 0.000 1.081 140 A HN 0.761 nan 8.150 nan 0.000 0.507 141 K N 1.932 122.373 120.400 0.070 0.000 2.295 141 K HA 0.088 4.408 4.320 0.000 0.000 0.270 141 K C -0.606 176.011 176.600 0.029 0.000 1.011 141 K CA 0.194 56.510 56.287 0.048 0.000 0.953 141 K CB 0.457 32.988 32.500 0.052 0.000 0.956 141 K HN 0.773 nan 8.250 nan 0.000 0.477 142 N N 2.700 121.395 118.700 -0.008 0.000 2.527 142 N HA 0.113 4.854 4.740 0.000 0.000 0.236 142 N C -1.268 174.148 175.510 -0.157 0.000 0.999 142 N CA -0.356 52.660 53.050 -0.057 0.000 0.935 142 N CB 1.007 39.474 38.487 -0.034 0.000 1.132 142 N HN 0.388 nan 8.380 nan 0.000 0.511 143 E N 0.957 121.033 120.200 -0.207 0.000 2.288 143 E HA 0.437 4.787 4.350 0.000 0.000 0.268 143 E C -0.935 175.242 176.600 -0.706 0.000 0.885 143 E CA -0.971 55.185 56.400 -0.407 0.000 0.767 143 E CB 2.615 32.135 29.700 -0.300 0.000 1.220 143 E HN 0.089 nan 8.360 nan 0.000 0.427 144 V N 3.227 122.571 119.914 -0.950 0.000 2.472 144 V HA 0.501 4.621 4.120 0.000 0.000 0.290 144 V C -0.815 174.577 176.094 -1.169 0.000 1.037 144 V CA -0.240 61.472 62.300 -0.980 0.000 0.908 144 V CB 0.308 31.609 31.823 -0.870 0.000 0.985 144 V HN 0.516 nan 8.190 nan 0.000 0.454 145 F N 2.078 121.656 119.950 -0.619 0.000 2.692 145 F HA 0.592 5.119 4.527 0.000 0.000 0.320 145 F C 0.008 175.645 175.800 -0.271 0.000 1.123 145 F CA -0.735 57.005 58.000 -0.434 0.000 0.961 145 F CB 1.305 40.046 39.000 -0.432 0.000 1.383 145 F HN 0.497 nan 8.300 nan 0.000 0.483 146 C N 2.679 122.106 119.300 0.213 0.000 2.358 146 C HA 0.681 5.141 4.460 0.000 0.000 0.342 146 C C 0.324 175.537 174.990 0.372 0.000 1.234 146 C CA -0.769 58.404 59.018 0.258 0.000 1.969 146 C CB -0.545 27.291 27.740 0.160 0.000 2.346 146 C HN 0.567 nan 8.230 nan 0.000 0.525 147 I N 4.914 125.699 120.570 0.358 0.000 2.872 147 I HA 0.126 4.296 4.170 0.000 0.000 0.291 147 I C 0.484 176.665 176.117 0.108 0.000 1.216 147 I CA 0.874 62.293 61.300 0.197 0.000 1.424 147 I CB 0.310 38.343 38.000 0.054 0.000 1.351 147 I HN 0.706 nan 8.210 nan 0.000 0.592 155 K N 2.056 122.449 120.400 -0.011 0.000 2.270 155 K HA 0.248 4.568 4.320 0.000 0.000 0.276 155 K C -2.365 174.262 176.600 0.045 0.000 1.023 155 K CA -1.557 54.707 56.287 -0.038 0.000 0.955 155 K CB 0.062 32.431 32.500 -0.218 0.000 0.975 155 K HN 0.214 nan 8.250 nan 0.000 0.471 156 P HA 0.022 nan 4.420 nan 0.000 0.272 156 P C -0.970 176.374 177.300 0.073 0.000 1.230 156 P CA -0.445 62.679 63.100 0.041 0.000 0.788 156 P CB 0.610 32.317 31.700 0.012 0.000 0.949 157 A N 2.901 125.772 122.820 0.086 0.000 2.511 157 A HA 0.088 4.408 4.320 0.000 0.000 0.242 157 A C 0.560 178.195 177.584 0.086 0.000 1.069 157 A CA -0.038 52.059 52.037 0.101 0.000 0.763 157 A CB -0.284 18.764 19.000 0.080 0.000 1.001 157 A HN 0.438 nan 8.150 nan 0.000 0.498 158 R N 0.462 121.027 120.500 0.109 0.000 2.679 158 R HA 0.336 4.676 4.340 0.000 0.000 0.269 158 R C -0.907 175.451 176.300 0.097 0.000 1.076 158 R CA -0.533 55.631 56.100 0.107 0.000 1.160 158 R CB 0.165 30.542 30.300 0.128 0.000 1.054 158 R HN 0.479 nan 8.270 nan 0.000 0.507 159 L N 2.037 123.322 121.223 0.103 0.000 2.331 159 L HA 0.483 4.823 4.340 0.000 0.000 0.275 159 L C -0.389 176.563 176.870 0.136 0.000 1.022 159 L CA -0.588 54.314 54.840 0.104 0.000 0.812 159 L CB 1.406 43.514 42.059 0.080 0.000 1.257 159 L HN 0.495 nan 8.230 nan 0.000 0.435 160 I N 2.358 123.023 120.570 0.158 0.000 2.498 160 I HA 0.600 4.770 4.170 0.000 0.000 0.290 160 I C -1.163 175.111 176.117 0.262 0.000 1.032 160 I CA -0.331 61.093 61.300 0.207 0.000 1.073 160 I CB 1.876 39.990 38.000 0.190 0.000 1.251 160 I HN 0.206 nan 8.210 nan 0.000 0.426 161 V N 8.943 129.008 119.914 0.251 0.000 2.407 161 V HA 0.533 4.653 4.120 0.000 0.000 0.291 161 V C -1.134 175.102 176.094 0.237 0.000 1.018 161 V CA -0.511 61.894 62.300 0.175 0.000 0.842 161 V CB 0.981 32.891 31.823 0.144 0.000 0.996 161 V HN 0.659 nan 8.190 nan 0.000 0.426 162 Y N 4.748 125.090 120.300 0.069 0.000 2.544 162 Y HA 0.911 5.461 4.550 0.000 0.000 0.342 162 Y C -3.115 172.823 175.900 0.063 0.000 1.062 162 Y CA -2.856 55.288 58.100 0.074 0.000 1.023 162 Y CB 2.020 40.520 38.460 0.067 0.000 1.308 162 Y HN 0.415 nan 8.280 nan 0.000 0.457 163 P HA 0.183 nan 4.420 nan 0.000 0.284 163 P C -0.978 176.432 177.300 0.183 0.000 1.292 163 P CA -0.237 62.921 63.100 0.096 0.000 0.800 163 P CB 1.361 33.126 31.700 0.109 0.000 1.188 164 D N -1.004 119.482 120.400 0.145 0.000 2.382 164 D HA -0.030 4.610 4.640 0.000 0.000 0.240 164 D C 1.337 177.747 176.300 0.183 0.000 1.146 164 D CA -0.312 53.792 54.000 0.173 0.000 0.897 164 D CB 0.288 41.218 40.800 0.217 0.000 1.197 164 D HN 0.098 nan 8.370 nan 0.000 0.432 165 L N 3.390 124.695 121.223 0.137 0.000 2.043 165 L HA -0.021 4.319 4.340 0.000 0.000 0.212 165 L C 2.048 179.036 176.870 0.196 0.000 1.075 165 L CA 2.590 57.502 54.840 0.121 0.000 0.752 165 L CB -1.122 40.952 42.059 0.025 0.000 0.891 165 L HN 0.677 nan 8.230 nan 0.000 0.432 166 G N -1.068 107.905 108.800 0.288 0.000 2.476 166 G HA2 -0.252 3.709 3.960 0.000 0.000 0.218 166 G HA3 -0.252 3.709 3.960 0.000 0.000 0.218 166 G C 1.538 176.559 174.900 0.202 0.000 1.164 166 G CA 1.299 46.626 45.100 0.378 0.000 0.768 166 G HN 0.366 nan 8.290 nan 0.000 0.560 167 V N 0.820 120.836 119.914 0.169 0.000 2.295 167 V HA -0.182 3.938 4.120 0.000 0.000 0.246 167 V C 2.933 179.103 176.094 0.128 0.000 1.049 167 V CA 2.038 64.409 62.300 0.118 0.000 1.024 167 V CB -0.514 31.368 31.823 0.098 0.000 0.648 167 V HN 0.333 nan 8.190 nan 0.000 0.447 168 R N -0.246 120.340 120.500 0.142 0.000 2.105 168 R HA -0.148 4.192 4.340 0.000 0.000 0.239 168 R C 2.215 178.560 176.300 0.075 0.000 1.135 168 R CA 1.598 57.777 56.100 0.132 0.000 0.967 168 R CB -0.689 29.689 30.300 0.130 0.000 0.861 168 R HN 0.441 nan 8.270 nan 0.000 0.442 169 V N 0.360 120.315 119.914 0.069 0.000 2.358 169 V HA -0.276 3.844 4.120 0.000 0.000 0.246 169 V C 2.519 178.612 176.094 -0.002 0.000 1.047 169 V CA 1.510 63.815 62.300 0.009 0.000 1.035 169 V CB -0.470 31.369 31.823 0.026 0.000 0.658 169 V HN 0.443 nan 8.190 nan 0.000 0.452 170 C N -0.062 119.290 119.300 0.087 0.000 2.425 170 C HA -0.154 4.306 4.460 0.000 0.000 0.277 170 C C 2.666 177.778 174.990 0.204 0.000 1.280 170 C CA 0.939 60.088 59.018 0.218 0.000 1.744 170 C CB -1.019 26.906 27.740 0.309 0.000 1.989 170 C HN 0.621 nan 8.230 nan 0.000 0.491 171 E N 0.770 121.035 120.200 0.109 0.000 2.085 171 E HA -0.245 4.105 4.350 0.000 0.000 0.194 171 E C 2.142 178.650 176.600 -0.153 0.000 0.994 171 E CA 1.330 57.781 56.400 0.085 0.000 0.801 171 E CB -0.141 29.671 29.700 0.185 0.000 0.743 171 E HN 0.647 nan 8.360 nan 0.000 0.453 172 K N 0.247 120.450 120.400 -0.328 0.000 2.057 172 K HA -0.086 4.234 4.320 0.000 0.000 0.206 172 K C 2.183 178.648 176.600 -0.224 0.000 1.050 172 K CA 1.254 57.227 56.287 -0.523 0.000 0.935 172 K CB -0.100 32.114 32.500 -0.475 0.000 0.715 172 K HN 0.094 nan 8.250 nan 0.000 0.439 173 M N 0.413 119.932 119.600 -0.135 0.000 2.106 173 M HA -0.215 4.265 4.480 0.000 0.000 0.259 173 M C 2.400 178.723 176.300 0.039 0.000 1.068 173 M CA 1.893 57.112 55.300 -0.136 0.000 1.100 173 M CB -0.370 32.008 32.600 -0.371 0.000 1.351 173 M HN 0.243 nan 8.290 nan 0.000 0.404 174 A N -0.658 122.288 122.820 0.210 0.000 1.970 174 A HA 0.069 4.389 4.320 0.000 0.000 0.216 174 A C 1.810 179.458 177.584 0.107 0.000 1.170 174 A CA 1.152 53.343 52.037 0.256 0.000 0.645 174 A CB -0.143 19.007 19.000 0.249 0.000 0.816 174 A HN 0.493 nan 8.150 nan 0.000 0.447 175 L N -3.155 118.097 121.223 0.048 0.000 3.217 175 L HA 0.221 4.561 4.340 0.000 0.000 0.288 175 L C 1.690 178.646 176.870 0.143 0.000 1.202 175 L CA -0.008 54.866 54.840 0.057 0.000 1.027 175 L CB 0.145 42.274 42.059 0.117 0.000 1.427 175 L HN 0.426 nan 8.230 nan 0.000 0.600 176 Y N 1.341 121.576 120.300 -0.108 0.000 2.145 176 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 176 Y C 2.215 178.160 175.900 0.076 0.000 1.145 176 Y CA 2.272 60.363 58.100 -0.016 0.000 1.148 176 Y CB 0.129 38.486 38.460 -0.172 0.000 0.981 176 Y HN 0.240 nan 8.280 nan 0.000 0.507 177 D N -0.114 120.324 120.400 0.063 0.000 2.144 177 D HA -0.198 4.442 4.640 0.000 0.000 0.199 177 D C 2.149 178.408 176.300 -0.067 0.000 0.984 177 D CA 1.703 55.695 54.000 -0.012 0.000 0.834 177 D CB -0.342 40.491 40.800 0.054 0.000 0.955 177 D HN 0.489 nan 8.370 nan 0.000 0.465 178 I N 0.418 120.966 120.570 -0.038 0.000 2.163 178 I HA -0.305 3.865 4.170 0.000 0.000 0.243 178 I C 2.404 178.465 176.117 -0.093 0.000 1.085 178 I CA 1.263 62.531 61.300 -0.054 0.000 1.347 178 I CB -0.304 37.654 38.000 -0.070 0.000 1.044 178 I HN 0.042 nan 8.210 nan 0.000 0.408 179 A N -0.164 122.599 122.820 -0.094 0.000 2.019 179 A HA -0.244 4.076 4.320 0.000 0.000 0.219 179 A C 2.190 179.653 177.584 -0.202 0.000 1.164 179 A CA 1.443 53.398 52.037 -0.136 0.000 0.644 179 A CB -0.535 18.428 19.000 -0.062 0.000 0.805 179 A HN 0.529 nan 8.150 nan 0.000 0.449 180 Q N -1.076 118.565 119.800 -0.266 0.000 2.369 180 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 180 Q C 1.457 177.383 176.000 -0.124 0.000 0.963 180 Q CA 1.372 57.049 55.803 -0.209 0.000 0.894 180 Q CB 0.023 28.633 28.738 -0.214 0.000 0.965 180 Q HN 0.689 nan 8.270 nan 0.000 0.475 181 K N -0.753 119.571 120.400 -0.126 0.000 2.443 181 K HA 0.164 4.484 4.320 0.000 0.000 0.200 181 K C 1.711 178.230 176.600 -0.136 0.000 1.278 181 K CA -0.179 56.046 56.287 -0.104 0.000 0.925 181 K CB 0.333 32.793 32.500 -0.066 0.000 1.225 181 K HN -0.015 nan 8.250 nan 0.000 0.514 182 L N 1.959 123.097 121.223 -0.142 0.000 2.005 182 L HA -0.048 4.292 4.340 0.000 0.000 0.207 182 L C -0.999 175.724 176.870 -0.246 0.000 1.072 182 L CA 1.658 56.418 54.840 -0.133 0.000 0.744 182 L CB -0.728 41.302 42.059 -0.048 0.000 0.895 182 L HN 0.022 nan 8.230 nan 0.000 0.433 183 P HA -0.237 nan 4.420 nan 0.000 0.215 183 P C 1.323 178.235 177.300 -0.646 0.000 1.157 183 P CA 1.631 64.308 63.100 -0.705 0.000 0.874 183 P CB -0.040 30.812 31.700 -1.412 0.000 0.790 184 K N -0.450 119.636 120.400 -0.523 0.000 2.057 184 K HA -0.101 4.219 4.320 0.000 0.000 0.207 184 K C 2.019 178.515 176.600 -0.174 0.000 1.049 184 K CA 1.414 57.556 56.287 -0.241 0.000 0.931 184 K CB -0.615 31.819 32.500 -0.110 0.000 0.714 184 K HN -0.043 nan 8.250 nan 0.000 0.440 185 A N 1.572 124.295 122.820 -0.162 0.000 1.933 185 A HA -0.116 4.204 4.320 0.000 0.000 0.218 185 A C 2.049 179.562 177.584 -0.119 0.000 1.175 185 A CA 1.624 53.595 52.037 -0.110 0.000 0.628 185 A CB -0.682 18.267 19.000 -0.086 0.000 0.814 185 A HN 0.588 nan 8.150 nan 0.000 0.444 186 I N -5.108 115.356 120.570 -0.176 0.000 3.035 186 I HA 0.114 4.284 4.170 0.000 0.000 0.271 186 I C 1.821 177.775 176.117 -0.271 0.000 1.190 186 I CA 1.077 62.270 61.300 -0.178 0.000 1.472 186 I CB -0.083 37.816 38.000 -0.168 0.000 1.116 186 I HN 0.200 nan 8.210 nan 0.000 0.443 187 M N 0.937 120.313 119.600 -0.373 0.000 2.304 187 M HA 0.406 4.886 4.480 0.000 0.000 0.281 187 M C 1.431 177.617 176.300 -0.190 0.000 1.014 187 M CA 0.516 55.508 55.300 -0.514 0.000 1.054 187 M CB 0.793 32.936 32.600 -0.761 0.000 1.551 187 M HN 0.422 nan 8.290 nan 0.000 0.548 188 G N 2.408 111.134 108.800 -0.123 0.000 2.611 188 G HA2 -0.287 3.673 3.960 0.000 0.000 0.301 188 G HA3 -0.287 3.673 3.960 0.000 0.000 0.301 188 G C -1.965 172.917 174.900 -0.029 0.000 1.233 188 G CA 0.236 45.312 45.100 -0.040 0.000 0.993 188 G HN 0.260 nan 8.290 nan 0.000 0.553 189 P HA 0.115 nan 4.420 nan 0.000 0.228 189 P C 1.659 178.836 177.300 -0.205 0.000 1.151 189 P CA 1.743 64.862 63.100 0.031 0.000 0.770 189 P CB -0.107 31.764 31.700 0.284 0.000 0.786 190 S N -2.046 113.610 115.700 -0.074 0.000 2.522 190 S HA -0.072 4.399 4.470 0.000 0.000 0.227 190 S C 0.561 175.090 174.600 -0.119 0.000 0.986 190 S CA -0.100 58.059 58.200 -0.068 0.000 0.929 190 S CB -0.814 62.484 63.200 0.164 0.000 0.769 190 S HN 0.152 nan 8.310 nan 0.000 0.529 191 Y N 3.127 123.239 120.300 -0.313 0.000 2.637 191 Y HA 0.432 4.982 4.550 0.000 0.000 0.350 191 Y C 1.249 176.870 175.900 -0.464 0.000 1.069 191 Y CA -1.423 56.473 58.100 -0.341 0.000 1.397 191 Y CB -0.101 38.175 38.460 -0.306 0.000 1.163 191 Y HN 0.057 nan 8.280 nan 0.000 0.527 192 G N 4.462 112.809 108.800 -0.753 0.000 2.422 192 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 192 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 192 G C 1.063 175.400 174.900 -0.937 0.000 1.140 192 G CA 0.223 44.874 45.100 -0.749 0.000 0.775 192 G HN 0.629 nan 8.290 nan 0.000 0.545 193 F N 1.329 120.606 119.950 -1.122 0.000 2.699 193 F HA 0.038 4.565 4.527 0.000 0.000 0.298 193 F C 2.810 178.254 175.800 -0.593 0.000 1.154 193 F CA 0.735 58.257 58.000 -0.796 0.000 1.457 193 F CB -0.129 38.506 39.000 -0.609 0.000 1.106 193 F HN 0.375 nan 8.300 nan 0.000 0.585 194 Q N -0.644 118.752 119.800 -0.673 0.000 2.472 194 Q HA -0.108 4.232 4.340 0.000 0.000 0.208 194 Q C -0.659 175.141 176.000 -0.333 0.000 0.958 194 Q CA 0.794 56.363 55.803 -0.390 0.000 0.932 194 Q CB -0.305 28.173 28.738 -0.434 0.000 1.007 194 Q HN 0.270 nan 8.270 nan 0.000 0.508 195 Y N 1.665 121.849 120.300 -0.194 0.000 2.360 195 Y HA 0.304 4.854 4.550 0.000 0.000 0.337 195 Y C 0.494 176.099 175.900 -0.493 0.000 1.039 195 Y CA -1.576 56.369 58.100 -0.258 0.000 1.109 195 Y CB 1.556 39.846 38.460 -0.284 0.000 1.201 195 Y HN 0.102 nan 8.280 nan 0.000 0.458 196 S N 2.841 118.221 115.700 -0.532 0.000 2.589 196 S HA 0.183 4.653 4.470 0.000 0.000 0.265 196 S C -1.966 172.387 174.600 -0.413 0.000 1.342 196 S CA -0.970 56.536 58.200 -1.156 0.000 1.005 196 S CB 1.138 63.902 63.200 -0.726 0.000 0.909 196 S HN 0.431 nan 8.310 nan 0.000 0.555 197 P HA -0.133 nan 4.420 nan 0.000 0.216 197 P C 1.565 178.882 177.300 0.028 0.000 1.154 197 P CA 2.180 65.296 63.100 0.027 0.000 0.865 197 P CB -0.288 31.507 31.700 0.159 0.000 0.789 198 A N -0.417 122.432 122.820 0.048 0.000 1.969 198 A HA -0.208 4.112 4.320 0.000 0.000 0.218 198 A C 2.107 179.673 177.584 -0.031 0.000 1.169 198 A CA 1.545 53.616 52.037 0.056 0.000 0.635 198 A CB -1.091 17.964 19.000 0.092 0.000 0.810 198 A HN 0.199 nan 8.150 nan 0.000 0.445 199 E N -0.927 119.224 120.200 -0.080 0.000 2.152 199 E HA -0.135 4.215 4.350 0.000 0.000 0.192 199 E C 2.217 178.589 176.600 -0.380 0.000 0.983 199 E CA 0.825 57.139 56.400 -0.145 0.000 0.818 199 E CB -0.079 29.619 29.700 -0.003 0.000 0.758 199 E HN 0.609 nan 8.360 nan 0.000 0.467 200 R N 0.603 120.931 120.500 -0.287 0.000 2.075 200 R HA -0.107 4.233 4.340 0.000 0.000 0.232 200 R C 2.176 178.386 176.300 -0.151 0.000 1.126 200 R CA 0.879 56.805 56.100 -0.290 0.000 0.963 200 R CB -0.090 30.141 30.300 -0.115 0.000 0.858 200 R HN -0.006 nan 8.270 nan 0.000 0.435 201 V N 1.315 121.174 119.914 -0.092 0.000 2.287 201 V HA -0.273 3.847 4.120 0.000 0.000 0.248 201 V C 1.885 177.908 176.094 -0.118 0.000 1.053 201 V CA 2.323 64.577 62.300 -0.076 0.000 1.027 201 V CB -0.611 31.205 31.823 -0.012 0.000 0.646 201 V HN 0.454 nan 8.190 nan 0.000 0.447 202 D N -0.726 119.607 120.400 -0.112 0.000 2.117 202 D HA -0.232 4.408 4.640 0.000 0.000 0.197 202 D C 1.927 178.149 176.300 -0.129 0.000 0.987 202 D CA 1.398 55.330 54.000 -0.114 0.000 0.829 202 D CB -0.206 40.546 40.800 -0.081 0.000 0.961 202 D HN 0.377 nan 8.370 nan 0.000 0.460 203 F N 0.576 120.333 119.950 -0.322 0.000 2.102 203 F HA -0.086 4.441 4.527 0.000 0.000 0.298 203 F C 1.913 177.603 175.800 -0.183 0.000 1.105 203 F CA 1.296 59.114 58.000 -0.304 0.000 1.239 203 F CB -0.258 38.418 39.000 -0.540 0.000 0.991 203 F HN -0.000 nan 8.300 nan 0.000 0.474 204 L N -0.453 120.666 121.223 -0.173 0.000 2.056 204 L HA -0.203 4.137 4.340 0.000 0.000 0.207 204 L C 2.512 179.257 176.870 -0.209 0.000 1.078 204 L CA 0.948 55.669 54.840 -0.198 0.000 0.749 204 L CB -0.717 41.282 42.059 -0.100 0.000 0.901 204 L HN 0.214 nan 8.230 nan 0.000 0.433 205 L N -0.302 120.787 121.223 -0.224 0.000 2.046 205 L HA -0.242 4.098 4.340 0.000 0.000 0.208 205 L C 2.662 179.438 176.870 -0.157 0.000 1.077 205 L CA 1.506 56.211 54.840 -0.225 0.000 0.747 205 L CB -0.334 41.520 42.059 -0.343 0.000 0.896 205 L HN 0.216 nan 8.230 nan 0.000 0.432 206 K N -0.430 119.848 120.400 -0.204 0.000 2.057 206 K HA -0.115 4.205 4.320 0.000 0.000 0.206 206 K C 2.196 178.669 176.600 -0.213 0.000 1.050 206 K CA 1.206 57.382 56.287 -0.184 0.000 0.935 206 K CB -0.204 32.191 32.500 -0.174 0.000 0.715 206 K HN 0.278 nan 8.250 nan 0.000 0.439 207 A N 1.332 123.943 122.820 -0.348 0.000 1.902 207 A HA -0.200 4.120 4.320 0.000 0.000 0.217 207 A C 1.924 179.444 177.584 -0.107 0.000 1.181 207 A CA 1.104 52.957 52.037 -0.308 0.000 0.623 207 A CB -0.892 17.814 19.000 -0.489 0.000 0.818 207 A HN 0.577 nan 8.150 nan 0.000 0.443 208 W N 0.576 121.734 121.300 -0.237 0.000 2.379 208 W HA -0.125 4.535 4.660 0.000 0.000 0.307 208 W C 2.125 178.566 176.519 -0.129 0.000 1.200 208 W CA 1.562 58.810 57.345 -0.163 0.000 1.297 208 W CB -0.431 28.934 29.460 -0.159 0.000 1.140 208 W HN 0.391 nan 8.180 nan 0.000 0.507 209 G N 0.097 108.911 108.800 0.024 0.000 2.471 209 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 209 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 209 G C 1.540 176.380 174.900 -0.101 0.000 1.125 209 G CA 1.313 46.384 45.100 -0.048 0.000 0.775 209 G HN 0.342 nan 8.290 nan 0.000 0.548 210 S N -0.334 115.296 115.700 -0.116 0.000 2.522 210 S HA 0.169 4.639 4.470 0.000 0.000 0.227 210 S C 0.892 175.416 174.600 -0.127 0.000 0.986 210 S CA 0.174 58.309 58.200 -0.109 0.000 0.929 210 S CB 0.127 63.265 63.200 -0.104 0.000 0.769 210 S HN 0.085 nan 8.310 nan 0.000 0.529 211 K N 1.672 121.960 120.400 -0.187 0.000 2.130 211 K HA 0.331 4.651 4.320 0.000 0.000 0.268 211 K C 0.676 177.157 176.600 -0.198 0.000 0.983 211 K CA -0.510 55.653 56.287 -0.207 0.000 0.893 211 K CB 1.503 33.822 32.500 -0.302 0.000 1.066 211 K HN 0.077 nan 8.250 nan 0.000 0.450 212 K N 1.108 121.420 120.400 -0.148 0.000 2.025 212 K HA -0.080 4.240 4.320 0.000 0.000 0.207 212 K C -0.435 176.076 176.600 -0.149 0.000 1.049 212 K CA 1.337 57.550 56.287 -0.123 0.000 0.933 212 K CB 0.349 32.798 32.500 -0.086 0.000 0.714 212 K HN 0.506 nan 8.250 nan 0.000 0.438 213 D N 2.131 122.434 120.400 -0.161 0.000 2.412 213 D HA 0.220 4.860 4.640 0.000 0.000 0.276 213 D C -2.559 173.603 176.300 -0.229 0.000 1.196 213 D CA -1.439 52.464 54.000 -0.161 0.000 0.905 213 D CB 1.556 42.297 40.800 -0.098 0.000 1.081 213 D HN 0.187 nan 8.370 nan 0.000 0.502 214 P HA 0.098 nan 4.420 nan 0.000 0.268 214 P C -0.172 176.841 177.300 -0.478 0.000 1.205 214 P CA -0.370 62.265 63.100 -0.775 0.000 0.771 214 P CB 1.295 31.851 31.700 -1.907 0.000 0.858 215 M N 2.340 121.757 119.600 -0.304 0.000 2.324 215 M HA 0.563 5.043 4.480 0.000 0.000 0.288 215 M C -1.209 175.115 176.300 0.040 0.000 1.097 215 M CA -0.250 55.003 55.300 -0.078 0.000 0.928 215 M CB 2.349 34.963 32.600 0.023 0.000 1.648 215 M HN 0.531 nan 8.290 nan 0.000 0.460 216 G N 4.242 113.156 108.800 0.190 0.000 2.519 216 G HA2 0.838 4.798 3.960 0.000 0.000 0.307 216 G HA3 0.838 4.798 3.960 0.000 0.000 0.307 216 G C -1.816 173.175 174.900 0.153 0.000 1.266 216 G CA -0.573 44.641 45.100 0.190 0.000 0.970 216 G HN 0.772 nan 8.290 nan 0.000 0.481 217 F N -0.075 119.842 119.950 -0.055 0.000 2.619 217 F HA 0.789 5.316 4.527 0.000 0.000 0.308 217 F C -0.221 175.563 175.800 -0.027 0.000 1.097 217 F CA -1.489 56.472 58.000 -0.065 0.000 0.953 217 F CB 1.524 40.465 39.000 -0.098 0.000 1.287 217 F HN 0.607 nan 8.300 nan 0.000 0.446 218 S N 1.536 117.292 115.700 0.093 0.000 2.565 218 S HA 0.633 5.103 4.470 0.000 0.000 0.290 218 S C -1.551 173.227 174.600 0.296 0.000 1.150 218 S CA -0.576 57.663 58.200 0.065 0.000 1.058 218 S CB 1.588 64.815 63.200 0.046 0.000 1.032 218 S HN 0.860 nan 8.310 nan 0.000 0.510 219 Y N 1.428 121.832 120.300 0.173 0.000 2.328 219 Y HA 0.473 5.023 4.550 0.000 0.000 0.336 219 Y C -1.001 175.030 175.900 0.218 0.000 0.960 219 Y CA -0.818 57.462 58.100 0.300 0.000 1.134 219 Y CB 1.490 40.251 38.460 0.501 0.000 1.166 219 Y HN 0.867 nan 8.280 nan 0.000 0.464 220 D N 4.400 124.624 120.400 -0.294 0.000 2.427 220 D HA 0.234 4.874 4.640 0.000 0.000 0.226 220 D C -0.876 175.264 176.300 -0.268 0.000 1.076 220 D CA -0.154 53.752 54.000 -0.157 0.000 0.849 220 D CB 0.987 41.728 40.800 -0.098 0.000 1.052 220 D HN 0.478 nan 8.370 nan 0.000 0.515 221 T N 3.913 118.492 114.554 0.042 0.000 2.832 221 T HA 0.137 4.487 4.350 0.000 0.000 0.296 221 T C 0.473 175.263 174.700 0.150 0.000 0.968 221 T CA -0.513 61.700 62.100 0.188 0.000 1.107 221 T CB 0.770 69.969 68.868 0.552 0.000 0.916 221 T HN 0.255 nan 8.240 nan 0.000 0.517 222 R N 2.530 123.083 120.500 0.089 0.000 2.402 222 R HA 0.071 4.411 4.340 0.000 0.000 0.331 222 R C 0.096 176.502 176.300 0.176 0.000 1.040 222 R CA -0.002 56.144 56.100 0.077 0.000 0.980 222 R CB -1.013 29.275 30.300 -0.020 0.000 0.967 222 R HN 0.970 nan 8.270 nan 0.000 0.440 223 C N 6.094 125.527 119.300 0.220 0.000 3.442 223 C HA -0.192 4.269 4.460 0.000 0.000 0.288 223 C C 1.263 176.461 174.990 0.347 0.000 1.238 223 C CA 0.053 59.248 59.018 0.296 0.000 2.320 223 C CB -2.388 25.567 27.740 0.359 0.000 1.459 223 C HN 1.024 nan 8.230 nan 0.000 0.544 224 F N 1.808 121.875 119.950 0.195 0.000 2.120 224 F HA -0.096 4.431 4.527 0.000 0.000 0.300 224 F C 1.786 177.690 175.800 0.173 0.000 1.095 224 F CA 2.498 60.612 58.000 0.190 0.000 1.249 224 F CB -0.052 39.052 39.000 0.173 0.000 0.995 224 F HN 0.591 nan 8.300 nan 0.000 0.480 225 D N -0.385 120.243 120.400 0.379 0.000 2.123 225 D HA -0.172 4.468 4.640 0.000 0.000 0.196 225 D C 2.457 178.807 176.300 0.083 0.000 0.992 225 D CA 1.727 55.875 54.000 0.247 0.000 0.833 225 D CB -0.545 40.406 40.800 0.252 0.000 0.954 225 D HN 0.244 nan 8.370 nan 0.000 0.455 226 S N -0.500 115.262 115.700 0.103 0.000 2.423 226 S HA -0.109 4.361 4.470 0.000 0.000 0.231 226 S C 2.050 176.554 174.600 -0.160 0.000 1.014 226 S CA 1.410 59.556 58.200 -0.089 0.000 0.965 226 S CB -0.267 62.891 63.200 -0.069 0.000 0.785 226 S HN 0.536 nan 8.310 nan 0.000 0.495 227 T N -0.265 114.291 114.554 0.003 0.000 3.055 227 T HA 0.100 4.450 4.350 0.000 0.000 0.265 227 T C 0.648 175.255 174.700 -0.155 0.000 1.111 227 T CA 0.094 62.185 62.100 -0.016 0.000 1.118 227 T CB -0.468 68.377 68.868 -0.038 0.000 0.909 227 T HN 0.051 nan 8.240 nan 0.000 0.501 228 V N 4.121 123.911 119.914 -0.206 0.000 2.479 228 V HA 0.286 4.406 4.120 0.000 0.000 0.281 228 V C 1.212 177.242 176.094 -0.108 0.000 1.031 228 V CA -0.269 61.934 62.300 -0.162 0.000 1.038 228 V CB 0.001 31.774 31.823 -0.082 0.000 0.981 228 V HN 0.714 nan 8.190 nan 0.000 0.478 229 T N 1.210 115.715 114.554 -0.082 0.000 2.847 229 T HA 0.309 4.659 4.350 0.000 0.000 0.279 229 T C 0.963 175.638 174.700 -0.041 0.000 0.984 229 T CA -0.535 61.524 62.100 -0.067 0.000 0.988 229 T CB 1.215 70.048 68.868 -0.057 0.000 1.040 229 T HN 0.645 nan 8.240 nan 0.000 0.528 230 E N -0.158 120.021 120.200 -0.035 0.000 2.110 230 E HA -0.121 4.229 4.350 0.000 0.000 0.193 230 E C 2.337 178.940 176.600 0.005 0.000 0.988 230 E CA 0.794 57.189 56.400 -0.008 0.000 0.804 230 E CB -0.093 29.604 29.700 -0.004 0.000 0.745 230 E HN 0.634 nan 8.360 nan 0.000 0.458 231 R N 0.987 121.482 120.500 -0.008 0.000 2.096 231 R HA -0.172 4.168 4.340 0.000 0.000 0.235 231 R C 1.402 177.704 176.300 0.003 0.000 1.127 231 R CA 1.640 57.738 56.100 -0.005 0.000 0.968 231 R CB 0.014 30.299 30.300 -0.025 0.000 0.861 231 R HN 0.086 nan 8.270 nan 0.000 0.440 232 D N 0.571 120.968 120.400 -0.004 0.000 2.104 232 D HA -0.186 4.454 4.640 0.000 0.000 0.194 232 D C 1.869 178.181 176.300 0.020 0.000 0.994 232 D CA 1.482 55.492 54.000 0.017 0.000 0.830 232 D CB -0.130 40.675 40.800 0.007 0.000 0.959 232 D HN 0.339 nan 8.370 nan 0.000 0.452 233 I N 0.477 121.061 120.570 0.024 0.000 2.353 233 I HA -0.154 4.016 4.170 0.000 0.000 0.248 233 I C 2.453 178.597 176.117 0.046 0.000 1.119 233 I CA 0.745 62.071 61.300 0.043 0.000 1.417 233 I CB -0.012 38.034 38.000 0.077 0.000 1.078 233 I HN -0.109 nan 8.210 nan 0.000 0.421 234 R N -0.137 120.391 120.500 0.046 0.000 2.115 234 R HA -0.078 4.262 4.340 0.000 0.000 0.230 234 R C 2.243 178.548 176.300 0.009 0.000 1.111 234 R CA 1.568 57.700 56.100 0.053 0.000 0.976 234 R CB -0.602 29.734 30.300 0.060 0.000 0.870 234 R HN 0.300 nan 8.270 nan 0.000 0.445 235 T N 1.177 115.730 114.554 -0.002 0.000 2.788 235 T HA -0.126 4.224 4.350 0.000 0.000 0.268 235 T C 1.487 176.123 174.700 -0.107 0.000 1.044 235 T CA 1.313 63.402 62.100 -0.019 0.000 1.139 235 T CB -0.054 68.836 68.868 0.037 0.000 0.867 235 T HN 0.370 nan 8.240 nan 0.000 0.454 236 E N 0.761 120.867 120.200 -0.156 0.000 2.085 236 E HA -0.175 4.175 4.350 0.000 0.000 0.194 236 E C 2.288 178.470 176.600 -0.696 0.000 0.994 236 E CA 1.020 57.176 56.400 -0.407 0.000 0.801 236 E CB -0.097 29.400 29.700 -0.338 0.000 0.743 236 E HN 0.543 nan 8.360 nan 0.000 0.453 237 E N 0.567 120.582 120.200 -0.307 0.000 2.058 237 E HA -0.213 4.137 4.350 0.000 0.000 0.194 237 E C 2.159 178.715 176.600 -0.073 0.000 0.997 237 E CA 1.569 57.915 56.400 -0.089 0.000 0.801 237 E CB 0.003 29.788 29.700 0.140 0.000 0.746 237 E HN 0.236 nan 8.360 nan 0.000 0.450 238 S N 0.245 115.898 115.700 -0.078 0.000 2.400 238 S HA -0.155 4.315 4.470 0.000 0.000 0.232 238 S C 1.996 176.561 174.600 -0.058 0.000 1.025 238 S CA 1.070 59.242 58.200 -0.047 0.000 0.993 238 S CB -0.507 62.671 63.200 -0.036 0.000 0.808 238 S HN 0.303 nan 8.310 nan 0.000 0.478 239 I N -0.063 120.425 120.570 -0.137 0.000 2.286 239 I HA -0.086 4.084 4.170 0.000 0.000 0.245 239 I C 2.264 178.381 176.117 0.001 0.000 1.104 239 I CA 1.063 62.299 61.300 -0.106 0.000 1.397 239 I CB -0.498 37.403 38.000 -0.166 0.000 1.072 239 I HN 0.198 nan 8.210 nan 0.000 0.417 240 Y N 1.231 121.542 120.300 0.019 0.000 2.165 240 Y HA -0.228 4.322 4.550 0.000 0.000 0.286 240 Y C 2.636 178.549 175.900 0.022 0.000 1.155 240 Y CA 0.787 58.903 58.100 0.027 0.000 1.164 240 Y CB -1.035 37.461 38.460 0.060 0.000 0.978 240 Y HN 0.250 nan 8.280 nan 0.000 0.513 241 Q N -0.573 119.325 119.800 0.163 0.000 2.435 241 Q HA 0.069 4.410 4.340 0.000 0.000 0.207 241 Q C 2.331 178.360 176.000 0.049 0.000 0.956 241 Q CA 0.855 56.712 55.803 0.089 0.000 0.917 241 Q CB -0.349 28.420 28.738 0.050 0.000 0.997 241 Q HN 0.510 nan 8.270 nan 0.000 0.497 242 A N 0.316 123.160 122.820 0.039 0.000 2.066 242 A HA -0.061 4.259 4.320 0.000 0.000 0.218 242 A C 1.230 178.829 177.584 0.025 0.000 1.157 242 A CA 0.172 52.221 52.037 0.020 0.000 0.670 242 A CB -0.323 18.680 19.000 0.005 0.000 0.804 242 A HN 0.352 nan 8.150 nan 0.000 0.453 243 C N -0.317 119.009 119.300 0.043 0.000 2.700 243 C HA 0.372 4.832 4.460 0.000 0.000 0.397 243 C C 1.351 176.359 174.990 0.030 0.000 1.301 243 C CA -0.314 58.726 59.018 0.036 0.000 2.219 243 C CB 0.224 27.994 27.740 0.050 0.000 2.699 243 C HN 0.474 nan 8.230 nan 0.000 0.669 244 S N 1.620 117.333 115.700 0.022 0.000 2.422 244 S HA 0.597 5.067 4.470 0.000 0.000 0.283 244 S C -0.691 173.924 174.600 0.025 0.000 1.163 244 S CA -0.343 57.869 58.200 0.020 0.000 1.054 244 S CB -0.570 62.638 63.200 0.013 0.000 0.967 244 S HN 0.498 nan 8.310 nan 0.000 0.499 245 L N 5.976 127.217 121.223 0.030 0.000 2.350 245 L HA 0.629 4.969 4.340 0.000 0.000 0.260 245 L C -2.110 174.782 176.870 0.036 0.000 1.015 245 L CA -2.364 52.499 54.840 0.037 0.000 0.821 245 L CB 2.125 44.214 42.059 0.049 0.000 1.370 245 L HN 0.446 nan 8.230 nan 0.000 0.416 246 P HA 0.062 nan 4.420 nan 0.000 0.275 246 P C -0.201 177.126 177.300 0.046 0.000 1.228 246 P CA -0.357 62.769 63.100 0.042 0.000 0.786 246 P CB 1.253 32.983 31.700 0.050 0.000 0.927 247 Q N 1.857 121.679 119.800 0.036 0.000 2.152 247 Q HA -0.246 4.094 4.340 0.000 0.000 0.206 247 Q C 1.954 177.974 176.000 0.034 0.000 0.985 247 Q CA 2.115 57.935 55.803 0.029 0.000 0.863 247 Q CB -0.561 28.189 28.738 0.020 0.000 0.904 247 Q HN 0.618 nan 8.270 nan 0.000 0.422 248 E N -1.298 118.937 120.200 0.059 0.000 2.110 248 E HA -0.193 4.157 4.350 0.000 0.000 0.193 248 E C 1.684 178.331 176.600 0.080 0.000 0.988 248 E CA 0.977 57.426 56.400 0.082 0.000 0.804 248 E CB -0.197 29.602 29.700 0.165 0.000 0.745 248 E HN 0.489 nan 8.360 nan 0.000 0.458 249 A N 1.234 124.122 122.820 0.114 0.000 1.898 249 A HA -0.149 4.171 4.320 0.000 0.000 0.216 249 A C 2.096 179.710 177.584 0.049 0.000 1.181 249 A CA 1.158 53.263 52.037 0.113 0.000 0.620 249 A CB -0.377 18.695 19.000 0.121 0.000 0.819 249 A HN 0.156 nan 8.150 nan 0.000 0.442 250 R N -0.762 119.764 120.500 0.043 0.000 2.091 250 R HA -0.113 4.227 4.340 0.000 0.000 0.238 250 R C 2.223 178.540 176.300 0.028 0.000 1.136 250 R CA 1.910 58.033 56.100 0.040 0.000 0.959 250 R CB -0.890 29.425 30.300 0.025 0.000 0.856 250 R HN 0.526 nan 8.270 nan 0.000 0.437 251 T N 0.703 115.250 114.554 -0.012 0.000 2.737 251 T HA -0.070 4.280 4.350 0.000 0.000 0.265 251 T C 2.035 176.670 174.700 -0.107 0.000 1.038 251 T CA 1.220 63.297 62.100 -0.039 0.000 1.144 251 T CB -0.129 68.693 68.868 -0.077 0.000 0.866 251 T HN -0.003 nan 8.240 nan 0.000 0.434 252 V N 1.280 121.069 119.914 -0.208 0.000 2.427 252 V HA -0.081 4.039 4.120 0.000 0.000 0.248 252 V C 2.361 178.350 176.094 -0.175 0.000 1.051 252 V CA 1.235 63.329 62.300 -0.344 0.000 1.048 252 V CB -0.585 30.820 31.823 -0.696 0.000 0.666 252 V HN 0.469 nan 8.190 nan 0.000 0.456 253 I N -0.376 120.169 120.570 -0.042 0.000 2.226 253 I HA -0.281 3.889 4.170 0.000 0.000 0.245 253 I C 2.554 178.737 176.117 0.109 0.000 1.100 253 I CA 1.855 63.197 61.300 0.071 0.000 1.374 253 I CB -0.502 37.578 38.000 0.132 0.000 1.057 253 I HN 0.388 nan 8.210 nan 0.000 0.413 254 H N 0.790 119.845 119.070 -0.025 0.000 2.353 254 H HA -0.109 4.447 4.556 0.000 0.000 0.300 254 H C 2.368 177.623 175.328 -0.121 0.000 1.090 254 H CA 1.850 57.871 56.048 -0.044 0.000 1.327 254 H CB -0.063 29.666 29.762 -0.055 0.000 1.383 254 H HN 0.142 nan 8.280 nan 0.000 0.508 255 S N -0.011 115.533 115.700 -0.261 0.000 2.368 255 S HA -0.091 4.379 4.470 0.000 0.000 0.224 255 S C 2.418 176.815 174.600 -0.339 0.000 1.029 255 S CA 1.140 59.121 58.200 -0.365 0.000 0.988 255 S CB -0.312 62.699 63.200 -0.315 0.000 0.838 255 S HN 0.341 nan 8.310 nan 0.000 0.462 256 L N 1.069 122.100 121.223 -0.321 0.000 2.083 256 L HA -0.143 4.197 4.340 0.000 0.000 0.209 256 L C 2.706 179.202 176.870 -0.623 0.000 1.083 256 L CA 1.173 55.714 54.840 -0.499 0.000 0.752 256 L CB -1.075 40.681 42.059 -0.506 0.000 0.899 256 L HN 0.318 nan 8.230 nan 0.000 0.433 257 T N -0.964 113.420 114.554 -0.284 0.000 2.674 257 T HA -0.159 4.191 4.350 0.000 0.000 0.265 257 T C 1.799 176.444 174.700 -0.092 0.000 1.039 257 T CA 1.243 63.325 62.100 -0.029 0.000 1.150 257 T CB -0.070 68.895 68.868 0.162 0.000 0.864 257 T HN 0.278 nan 8.240 nan 0.000 0.427 258 E N 0.882 120.955 120.200 -0.212 0.000 2.152 258 E HA 0.029 4.379 4.350 0.000 0.000 0.192 258 E C 2.284 178.800 176.600 -0.140 0.000 0.983 258 E CA 0.804 57.092 56.400 -0.187 0.000 0.818 258 E CB -0.078 29.407 29.700 -0.359 0.000 0.758 258 E HN 0.448 nan 8.360 nan 0.000 0.467 259 R N -0.553 119.829 120.500 -0.197 0.000 2.265 259 R HA 0.135 4.475 4.340 0.000 0.000 0.194 259 R C 1.633 177.850 176.300 -0.138 0.000 0.931 259 R CA 0.211 56.222 56.100 -0.149 0.000 1.032 259 R CB 0.410 30.607 30.300 -0.172 0.000 0.980 259 R HN 0.027 nan 8.270 nan 0.000 0.497 260 L N -2.485 118.628 121.223 -0.184 0.000 2.603 260 L HA 0.189 4.529 4.340 0.000 0.000 0.189 260 L C 1.107 177.982 176.870 0.008 0.000 1.082 260 L CA 0.660 55.414 54.840 -0.144 0.000 0.921 260 L CB -0.266 41.636 42.059 -0.261 0.000 1.694 260 L HN -0.153 nan 8.230 nan 0.000 0.491 261 Y N 0.830 121.140 120.300 0.016 0.000 2.200 261 Y HA -0.051 4.499 4.550 0.000 0.000 0.290 261 Y C 2.642 178.550 175.900 0.013 0.000 1.137 261 Y CA 1.634 59.757 58.100 0.039 0.000 1.163 261 Y CB -1.351 37.160 38.460 0.085 0.000 0.988 261 Y HN 0.216 nan 8.280 nan 0.000 0.518 262 V N -2.520 117.478 119.914 0.141 0.000 2.970 262 V HA 0.445 4.565 4.120 0.000 0.000 0.260 262 V C 0.961 177.068 176.094 0.022 0.000 1.100 262 V CA 0.984 63.327 62.300 0.073 0.000 1.122 262 V CB -0.817 31.040 31.823 0.057 0.000 0.721 262 V HN 0.418 nan 8.190 nan 0.000 0.483 263 G N -2.289 106.506 108.800 -0.008 0.000 2.356 263 G HA2 0.582 4.542 3.960 0.000 0.000 0.300 263 G HA3 0.582 4.542 3.960 0.000 0.000 0.300 263 G C -0.463 174.311 174.900 -0.211 0.000 1.331 263 G CA -0.096 44.945 45.100 -0.098 0.000 0.905 263 G HN 1.659 nan 8.290 nan 0.000 0.587 264 G N -0.985 107.462 108.800 -0.589 0.000 2.320 264 G HA2 0.717 4.677 3.960 0.000 0.000 0.297 264 G HA3 0.717 4.677 3.960 0.000 0.000 0.297 264 G C -3.489 170.750 174.900 -1.103 0.000 1.344 264 G CA 0.209 44.841 45.100 -0.780 0.000 0.851 264 G HN 0.877 nan 8.290 nan 0.000 0.567 265 P HA 0.450 nan 4.420 nan 0.000 0.278 265 P C -0.566 176.610 177.300 -0.207 0.000 1.238 265 P CA -0.081 62.832 63.100 -0.310 0.000 0.794 265 P CB 1.031 32.713 31.700 -0.030 0.000 0.955 266 M N 1.473 120.992 119.600 -0.134 0.000 2.383 266 M HA 0.397 4.877 4.480 0.000 0.000 0.325 266 M C -0.221 176.057 176.300 -0.035 0.000 1.092 266 M CA -0.156 55.091 55.300 -0.088 0.000 0.961 266 M CB 2.239 34.795 32.600 -0.074 0.000 1.672 266 M HN 0.182 nan 8.290 nan 0.000 0.438 267 T N 2.037 116.563 114.554 -0.046 0.000 2.841 267 T HA 0.357 4.707 4.350 0.000 0.000 0.285 267 T C -0.319 174.365 174.700 -0.027 0.000 0.991 267 T CA -0.938 61.146 62.100 -0.027 0.000 0.966 267 T CB 1.003 69.844 68.868 -0.045 0.000 0.962 267 T HN 0.767 nan 8.240 nan 0.000 0.438 268 N N 1.098 119.802 118.700 0.007 0.000 2.294 268 N HA 0.077 4.817 4.740 0.000 0.000 0.248 268 N C 1.517 177.025 175.510 -0.003 0.000 1.300 268 N CA -0.008 53.050 53.050 0.013 0.000 0.925 268 N CB 0.212 38.720 38.487 0.035 0.000 1.188 268 N HN 0.459 nan 8.380 nan 0.000 0.512 269 S N -0.779 114.926 115.700 0.009 0.000 2.423 269 S HA -0.112 4.358 4.470 0.000 0.000 0.231 269 S C 1.096 175.697 174.600 0.001 0.000 1.014 269 S CA 0.682 58.887 58.200 0.008 0.000 0.965 269 S CB -0.431 62.785 63.200 0.027 0.000 0.785 269 S HN 0.627 nan 8.310 nan 0.000 0.495 270 K N 0.799 121.202 120.400 0.005 0.000 2.525 270 K HA 0.200 4.520 4.320 0.000 0.000 0.192 270 K C 1.332 177.929 176.600 -0.004 0.000 1.029 270 K CA 0.434 56.722 56.287 0.002 0.000 1.029 270 K CB -0.290 32.215 32.500 0.008 0.000 0.814 270 K HN 0.614 nan 8.250 nan 0.000 0.503 271 G N 1.658 110.452 108.800 -0.010 0.000 2.175 271 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 271 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 271 G C -0.183 174.715 174.900 -0.004 0.000 0.982 271 G CA -0.116 44.975 45.100 -0.015 0.000 0.641 271 G HN 0.376 nan 8.290 nan 0.000 0.527 272 Q N 0.496 120.301 119.800 0.007 0.000 2.306 272 Q HA 0.556 4.896 4.340 0.000 0.000 0.241 272 Q C 0.393 176.409 176.000 0.027 0.000 0.948 272 Q CA 0.129 55.944 55.803 0.019 0.000 0.886 272 Q CB 1.472 30.226 28.738 0.026 0.000 1.227 272 Q HN 0.252 nan 8.270 nan 0.000 0.457 273 S N 0.410 116.132 115.700 0.035 0.000 2.481 273 S HA 0.062 4.532 4.470 0.000 0.000 0.276 273 S C 0.327 174.971 174.600 0.074 0.000 1.247 273 S CA -0.575 57.653 58.200 0.046 0.000 1.053 273 S CB 0.364 63.593 63.200 0.048 0.000 0.925 273 S HN 0.813 nan 8.310 nan 0.000 0.491 274 C N 4.338 123.690 119.300 0.087 0.000 2.464 274 C HA 0.678 5.138 4.460 0.000 0.000 0.348 274 C C 1.181 176.296 174.990 0.208 0.000 1.367 274 C CA 0.749 59.863 59.018 0.159 0.000 2.012 274 C CB -0.703 27.135 27.740 0.164 0.000 2.434 274 C HN 1.013 nan 8.230 nan 0.000 0.536 275 G N -1.782 107.059 108.800 0.067 0.000 2.427 275 G HA2 0.444 4.404 3.960 0.000 0.000 0.306 275 G HA3 0.444 4.404 3.960 0.000 0.000 0.306 275 G C -2.371 172.495 174.900 -0.058 0.000 1.280 275 G CA -0.250 44.802 45.100 -0.079 0.000 0.837 275 G HN 0.205 nan 8.290 nan 0.000 0.482 276 Y N 0.331 120.479 120.300 -0.253 0.000 2.421 276 Y HA 0.724 5.275 4.550 0.000 0.000 0.339 276 Y C 0.025 175.815 175.900 -0.184 0.000 0.996 276 Y CA -0.927 57.074 58.100 -0.165 0.000 1.046 276 Y CB 2.004 40.388 38.460 -0.126 0.000 1.226 276 Y HN 0.649 nan 8.280 nan 0.000 0.445 277 R N 4.986 125.279 120.500 -0.345 0.000 2.460 277 R HA 0.543 4.883 4.340 0.000 0.000 0.303 277 R C -0.732 175.434 176.300 -0.224 0.000 0.968 277 R CA -0.598 55.327 56.100 -0.292 0.000 0.889 277 R CB 0.921 31.097 30.300 -0.206 0.000 1.123 277 R HN 0.908 nan 8.270 nan 0.000 0.455 278 R N 3.318 123.655 120.500 -0.272 0.000 2.690 278 R HA 0.215 4.555 4.340 0.000 0.000 0.419 278 R C -0.622 175.545 176.300 -0.221 0.000 1.090 278 R CA -0.322 55.685 56.100 -0.155 0.000 1.064 278 R CB 0.422 30.673 30.300 -0.082 0.000 1.391 278 R HN 0.786 nan 8.270 nan 0.000 0.586 279 C N -2.013 117.114 119.300 -0.289 0.000 3.321 279 C HA 0.612 5.072 4.460 0.000 0.000 0.363 279 C C -0.262 174.659 174.990 -0.115 0.000 1.705 279 C CA -1.515 57.365 59.018 -0.231 0.000 1.298 279 C CB 1.164 28.688 27.740 -0.360 0.000 2.086 279 C HN 0.375 nan 8.230 nan 0.000 0.438 280 R N 1.273 121.749 120.500 -0.041 0.000 2.538 280 R HA 0.455 4.795 4.340 0.000 0.000 0.282 280 R C 0.142 176.489 176.300 0.077 0.000 1.009 280 R CA 0.951 57.078 56.100 0.046 0.000 1.063 280 R CB -0.132 30.231 30.300 0.105 0.000 0.945 280 R HN 1.212 nan 8.270 nan 0.000 0.414 281 A N 3.948 126.829 122.820 0.102 0.000 2.404 281 A HA 0.181 4.501 4.320 0.000 0.000 0.273 281 A C 1.064 178.737 177.584 0.150 0.000 1.144 281 A CA 0.148 52.268 52.037 0.139 0.000 0.806 281 A CB 0.184 19.278 19.000 0.157 0.000 1.080 281 A HN 1.022 nan 8.150 nan 0.000 0.509 282 S N 2.369 118.173 115.700 0.173 0.000 2.442 282 S HA -0.024 4.446 4.470 0.000 0.000 0.236 282 S C 1.167 175.853 174.600 0.143 0.000 1.007 282 S CA 1.010 59.307 58.200 0.162 0.000 0.965 282 S CB 0.015 63.321 63.200 0.176 0.000 0.773 282 S HN 1.237 nan 8.310 nan 0.000 0.504 283 G N 1.647 110.553 108.800 0.175 0.000 4.331 283 G HA2 0.505 4.466 3.960 0.000 0.000 0.299 283 G HA3 0.505 4.466 3.960 0.000 0.000 0.299 283 G C -0.080 174.942 174.900 0.204 0.000 1.158 283 G CA -0.085 45.125 45.100 0.185 0.000 0.916 283 G HN 0.512 nan 8.290 nan 0.000 0.553 284 V N -3.348 116.673 119.914 0.178 0.000 2.994 284 V HA 0.652 4.772 4.120 0.000 0.000 0.318 284 V C 1.328 177.525 176.094 0.172 0.000 1.085 284 V CA -1.005 61.433 62.300 0.229 0.000 0.998 284 V CB 1.457 33.469 31.823 0.315 0.000 1.063 284 V HN 0.077 nan 8.190 nan 0.000 0.447 285 F N 2.718 122.728 119.950 0.099 0.000 2.087 285 F HA -0.198 4.329 4.527 0.000 0.000 0.299 285 F C 2.311 178.098 175.800 -0.022 0.000 1.100 285 F CA 2.897 60.927 58.000 0.049 0.000 1.226 285 F CB -0.453 38.602 39.000 0.091 0.000 0.983 285 F HN 0.792 nan 8.300 nan 0.000 0.479 286 T N -3.533 110.890 114.554 -0.218 0.000 3.148 286 T HA -0.020 4.330 4.350 0.000 0.000 0.253 286 T C 1.685 176.240 174.700 -0.241 0.000 1.134 286 T CA 0.940 62.826 62.100 -0.355 0.000 1.051 286 T CB -0.842 67.753 68.868 -0.456 0.000 0.959 286 T HN 0.246 nan 8.240 nan 0.000 0.525 287 T N 1.903 116.357 114.554 -0.167 0.000 2.684 287 T HA -0.153 4.197 4.350 0.000 0.000 0.267 287 T C 2.209 176.889 174.700 -0.033 0.000 1.036 287 T CA 1.746 63.814 62.100 -0.054 0.000 1.148 287 T CB -0.578 68.292 68.868 0.002 0.000 0.863 287 T HN 0.560 nan 8.240 nan 0.000 0.436 288 S N 0.520 116.157 115.700 -0.106 0.000 2.345 288 S HA -0.017 4.453 4.470 0.000 0.000 0.219 288 S C 2.161 176.780 174.600 0.032 0.000 1.031 288 S CA 1.397 59.567 58.200 -0.051 0.000 0.984 288 S CB -0.407 62.655 63.200 -0.231 0.000 0.874 288 S HN 0.503 nan 8.310 nan 0.000 0.451 289 M N 0.858 120.416 119.600 -0.070 0.000 2.117 289 M HA -0.009 4.471 4.480 0.000 0.000 0.262 289 M C 2.014 178.352 176.300 0.062 0.000 1.065 289 M CA 2.056 57.355 55.300 -0.002 0.000 1.114 289 M CB -0.859 31.682 32.600 -0.099 0.000 1.361 289 M HN 0.431 nan 8.290 nan 0.000 0.408 290 G N 0.196 109.028 108.800 0.053 0.000 2.414 290 G HA2 -0.239 3.721 3.960 0.000 0.000 0.215 290 G HA3 -0.239 3.721 3.960 0.000 0.000 0.215 290 G C 1.189 176.174 174.900 0.142 0.000 1.188 290 G CA 0.977 46.132 45.100 0.091 0.000 0.783 290 G HN 0.455 nan 8.290 nan 0.000 0.537 291 N N 0.538 119.329 118.700 0.152 0.000 2.094 291 N HA -0.102 4.638 4.740 0.000 0.000 0.191 291 N C 2.386 177.951 175.510 0.092 0.000 1.023 291 N CA 1.736 54.892 53.050 0.177 0.000 0.857 291 N CB -0.814 37.696 38.487 0.038 0.000 1.013 291 N HN 0.253 nan 8.380 nan 0.000 0.426 292 T N 1.478 116.098 114.554 0.111 0.000 2.674 292 T HA -0.061 4.289 4.350 0.000 0.000 0.265 292 T C 2.069 176.858 174.700 0.148 0.000 1.039 292 T CA 1.118 63.297 62.100 0.131 0.000 1.150 292 T CB -0.163 68.849 68.868 0.241 0.000 0.864 292 T HN 0.213 nan 8.240 nan 0.000 0.427 293 M N 0.747 120.417 119.600 0.117 0.000 2.080 293 M HA -0.117 4.363 4.480 0.000 0.000 0.260 293 M C 2.590 179.003 176.300 0.188 0.000 1.068 293 M CA 1.532 56.893 55.300 0.102 0.000 1.109 293 M CB -0.803 31.818 32.600 0.034 0.000 1.342 293 M HN 0.209 nan 8.290 nan 0.000 0.405 294 T N -0.486 114.195 114.554 0.212 0.000 2.896 294 T HA -0.133 4.217 4.350 0.000 0.000 0.263 294 T C 1.865 176.775 174.700 0.350 0.000 1.050 294 T CA 1.142 63.397 62.100 0.258 0.000 1.140 294 T CB -0.411 68.621 68.868 0.273 0.000 0.877 294 T HN 0.533 nan 8.240 nan 0.000 0.457 295 C N 0.869 120.424 119.300 0.424 0.000 2.413 295 C HA -0.107 4.353 4.460 0.000 0.000 0.276 295 C C 2.373 177.528 174.990 0.276 0.000 1.248 295 C CA 0.614 59.865 59.018 0.389 0.000 1.742 295 C CB -1.386 26.433 27.740 0.131 0.000 2.017 295 C HN 0.668 nan 8.230 nan 0.000 0.481 296 Y N 1.176 121.549 120.300 0.122 0.000 2.163 296 Y HA -0.057 4.493 4.550 0.000 0.000 0.288 296 Y C 2.105 178.043 175.900 0.064 0.000 1.136 296 Y CA 2.111 60.260 58.100 0.083 0.000 1.147 296 Y CB -0.429 38.060 38.460 0.047 0.000 0.987 296 Y HN 0.325 nan 8.280 nan 0.000 0.509 297 I N 0.486 121.116 120.570 0.100 0.000 2.163 297 I HA -0.341 3.829 4.170 0.000 0.000 0.243 297 I C 2.337 178.386 176.117 -0.115 0.000 1.085 297 I CA 1.810 63.054 61.300 -0.095 0.000 1.347 297 I CB -0.396 37.546 38.000 -0.096 0.000 1.044 297 I HN 0.197 nan 8.210 nan 0.000 0.408 298 K N 0.697 121.130 120.400 0.054 0.000 2.057 298 K HA -0.111 4.209 4.320 0.000 0.000 0.206 298 K C 2.257 178.941 176.600 0.141 0.000 1.050 298 K CA 1.459 57.834 56.287 0.148 0.000 0.935 298 K CB -0.251 32.402 32.500 0.254 0.000 0.715 298 K HN 0.312 nan 8.250 nan 0.000 0.439 299 A N 1.357 124.230 122.820 0.089 0.000 1.898 299 A HA -0.133 4.187 4.320 0.000 0.000 0.216 299 A C 2.086 179.741 177.584 0.119 0.000 1.181 299 A CA 1.032 53.154 52.037 0.141 0.000 0.620 299 A CB -0.480 18.647 19.000 0.212 0.000 0.819 299 A HN 0.200 nan 8.150 nan 0.000 0.442 300 L N -0.217 120.942 121.223 -0.108 0.000 2.046 300 L HA -0.038 4.302 4.340 0.000 0.000 0.208 300 L C 2.668 179.524 176.870 -0.024 0.000 1.077 300 L CA 2.049 56.795 54.840 -0.157 0.000 0.747 300 L CB -0.802 40.979 42.059 -0.462 0.000 0.896 300 L HN 0.351 nan 8.230 nan 0.000 0.432 301 A N -0.595 122.226 122.820 0.002 0.000 1.877 301 A HA -0.093 4.228 4.320 0.000 0.000 0.216 301 A C 2.445 180.131 177.584 0.171 0.000 1.186 301 A CA 1.732 53.841 52.037 0.121 0.000 0.620 301 A CB -1.152 17.923 19.000 0.126 0.000 0.822 301 A HN 0.529 nan 8.150 nan 0.000 0.443 302 A N -1.061 121.862 122.820 0.172 0.000 1.972 302 A HA -0.168 4.153 4.320 0.000 0.000 0.219 302 A C 2.273 179.918 177.584 0.100 0.000 1.169 302 A CA 1.647 53.643 52.037 -0.069 0.000 0.635 302 A CB -1.274 17.357 19.000 -0.616 0.000 0.810 302 A HN 0.598 nan 8.150 nan 0.000 0.446 303 C N -0.668 118.798 119.300 0.276 0.000 2.413 303 C HA -0.103 4.357 4.460 0.000 0.000 0.276 303 C C 2.737 177.777 174.990 0.083 0.000 1.248 303 C CA 1.466 60.638 59.018 0.257 0.000 1.742 303 C CB -1.031 26.820 27.740 0.187 0.000 2.017 303 C HN 0.640 nan 8.230 nan 0.000 0.481 304 K N 1.052 121.461 120.400 0.015 0.000 2.057 304 K HA -0.034 4.286 4.320 0.000 0.000 0.206 304 K C 2.224 178.652 176.600 -0.287 0.000 1.050 304 K CA 1.427 57.683 56.287 -0.052 0.000 0.935 304 K CB -0.313 32.220 32.500 0.055 0.000 0.715 304 K HN 0.454 nan 8.250 nan 0.000 0.439 305 A N 1.307 123.816 122.820 -0.518 0.000 1.972 305 A HA -0.087 4.233 4.320 0.000 0.000 0.219 305 A C 2.253 179.705 177.584 -0.220 0.000 1.169 305 A CA 1.838 53.508 52.037 -0.611 0.000 0.635 305 A CB -0.536 18.194 19.000 -0.450 0.000 0.810 305 A HN 0.325 nan 8.150 nan 0.000 0.446 306 A N -2.137 120.627 122.820 -0.094 0.000 2.132 306 A HA 0.415 4.735 4.320 0.000 0.000 0.213 306 A C 1.812 179.395 177.584 -0.002 0.000 1.154 306 A CA 1.233 53.264 52.037 -0.011 0.000 0.753 306 A CB -0.697 18.364 19.000 0.102 0.000 0.826 306 A HN 1.883 nan 8.150 nan 0.000 0.469 307 G N -0.631 108.165 108.800 -0.006 0.000 2.136 307 G HA2 -0.176 3.784 3.960 0.000 0.000 0.242 307 G HA3 -0.176 3.784 3.960 0.000 0.000 0.242 307 G C -0.006 174.907 174.900 0.021 0.000 0.989 307 G CA 0.057 45.162 45.100 0.008 0.000 0.682 307 G HN 0.322 nan 8.290 nan 0.000 0.522 308 I N 1.288 121.882 120.570 0.040 0.000 2.517 308 I HA 0.298 4.468 4.170 0.000 0.000 0.285 308 I C 1.075 177.214 176.117 0.036 0.000 1.106 308 I CA -0.203 61.125 61.300 0.048 0.000 1.402 308 I CB 0.939 38.990 38.000 0.086 0.000 1.399 308 I HN 0.232 nan 8.210 nan 0.000 0.535 309 V N 5.673 125.601 119.914 0.023 0.000 2.394 309 V HA 0.443 4.563 4.120 0.000 0.000 0.282 309 V C -0.248 175.849 176.094 0.004 0.000 1.031 309 V CA -0.409 61.900 62.300 0.013 0.000 0.881 309 V CB 1.193 33.019 31.823 0.006 0.000 0.982 309 V HN 0.856 nan 8.190 nan 0.000 0.451 310 D N 3.740 124.144 120.400 0.007 0.000 2.737 310 D HA -0.102 4.538 4.640 0.000 0.000 0.243 310 D C -2.370 173.931 176.300 0.001 0.000 1.109 310 D CA 0.960 54.961 54.000 0.001 0.000 0.702 310 D CB -1.221 39.569 40.800 -0.017 0.000 1.068 310 D HN 0.747 nan 8.370 nan 0.000 0.432 311 P HA 0.151 nan 4.420 nan 0.000 0.271 311 P C -0.129 177.188 177.300 0.027 0.000 1.216 311 P CA -0.214 62.893 63.100 0.012 0.000 0.771 311 P CB 1.189 32.903 31.700 0.024 0.000 0.864 312 V N 5.155 125.081 119.914 0.020 0.000 2.407 312 V HA 0.367 4.487 4.120 0.000 0.000 0.291 312 V C 0.447 176.604 176.094 0.106 0.000 1.018 312 V CA -0.337 62.008 62.300 0.076 0.000 0.842 312 V CB 1.181 33.007 31.823 0.005 0.000 0.996 312 V HN 0.498 nan 8.190 nan 0.000 0.426 313 M N 5.403 125.112 119.600 0.181 0.000 2.508 313 M HA 0.612 5.092 4.480 0.000 0.000 0.327 313 M C -1.194 175.242 176.300 0.227 0.000 1.160 313 M CA -0.836 54.550 55.300 0.144 0.000 0.980 313 M CB 2.334 35.000 32.600 0.111 0.000 1.693 313 M HN 0.413 nan 8.290 nan 0.000 0.452 314 L N 3.493 124.805 121.223 0.148 0.000 2.316 314 L HA 0.581 4.921 4.340 0.000 0.000 0.280 314 L C -1.218 175.641 176.870 -0.019 0.000 1.006 314 L CA -0.458 54.415 54.840 0.056 0.000 0.836 314 L CB 1.493 43.611 42.059 0.097 0.000 1.221 314 L HN 0.497 nan 8.230 nan 0.000 0.418 315 V N 3.906 123.788 119.914 -0.053 0.000 2.409 315 V HA 0.446 4.566 4.120 0.000 0.000 0.291 315 V C -0.573 175.364 176.094 -0.262 0.000 1.020 315 V CA -0.539 61.723 62.300 -0.063 0.000 0.848 315 V CB 1.333 33.208 31.823 0.087 0.000 0.990 315 V HN 0.838 nan 8.190 nan 0.000 0.430 316 C N 4.570 123.664 119.300 -0.345 0.000 2.386 316 C HA 0.803 5.263 4.460 0.000 0.000 0.318 316 C C 1.332 176.183 174.990 -0.231 0.000 1.128 316 C CA -0.069 58.529 59.018 -0.699 0.000 1.438 316 C CB -0.303 26.855 27.740 -0.970 0.000 1.987 316 C HN 1.382 nan 8.230 nan 0.000 0.426 317 G N 4.500 113.312 108.800 0.021 0.000 2.622 317 G HA2 -0.333 3.627 3.960 0.000 0.000 0.307 317 G HA3 -0.333 3.627 3.960 0.000 0.000 0.307 317 G C 0.777 175.541 174.900 -0.226 0.000 1.226 317 G CA 1.073 46.199 45.100 0.043 0.000 0.997 317 G HN 0.792 nan 8.290 nan 0.000 0.551 318 D N 1.279 121.458 120.400 -0.369 0.000 2.363 318 D HA 0.075 4.715 4.640 0.000 0.000 0.226 318 D C 0.495 176.666 176.300 -0.216 0.000 1.020 318 D CA 1.031 54.632 54.000 -0.666 0.000 0.892 318 D CB -0.157 40.258 40.800 -0.641 0.000 0.900 318 D HN 0.443 nan 8.370 nan 0.000 0.531 319 D N 0.344 120.681 120.400 -0.104 0.000 2.249 319 D HA 0.341 4.982 4.640 0.000 0.000 0.246 319 D C -1.040 175.254 176.300 -0.010 0.000 1.114 319 D CA -0.591 53.397 54.000 -0.021 0.000 0.854 319 D CB 1.226 42.014 40.800 -0.020 0.000 1.132 319 D HN 0.046 nan 8.370 nan 0.000 0.461 320 L N 4.489 125.744 121.223 0.053 0.000 2.438 320 L HA 0.436 4.776 4.340 0.000 0.000 0.270 320 L C -1.690 175.172 176.870 -0.013 0.000 0.972 320 L CA -0.561 54.312 54.840 0.054 0.000 0.831 320 L CB 2.011 44.169 42.059 0.164 0.000 1.273 320 L HN 0.119 nan 8.230 nan 0.000 0.405 321 V N 5.260 125.126 119.914 -0.080 0.000 2.604 321 V HA 0.662 4.782 4.120 0.000 0.000 0.305 321 V C -0.766 175.164 176.094 -0.273 0.000 1.043 321 V CA -0.658 61.531 62.300 -0.185 0.000 0.888 321 V CB 2.137 33.907 31.823 -0.089 0.000 0.995 321 V HN 0.516 nan 8.190 nan 0.000 0.429 322 V N 6.096 125.653 119.914 -0.595 0.000 2.487 322 V HA 0.557 4.677 4.120 0.000 0.000 0.298 322 V C -0.402 175.474 176.094 -0.363 0.000 1.028 322 V CA -0.419 61.553 62.300 -0.546 0.000 0.860 322 V CB 1.813 33.087 31.823 -0.916 0.000 0.991 322 V HN 0.686 nan 8.190 nan 0.000 0.427 323 I N 4.559 125.050 120.570 -0.131 0.000 2.441 323 I HA 0.738 4.908 4.170 0.000 0.000 0.295 323 I C 0.236 176.323 176.117 -0.050 0.000 0.994 323 I CA 0.216 61.497 61.300 -0.031 0.000 1.144 323 I CB 2.091 40.120 38.000 0.048 0.000 1.314 323 I HN 0.867 nan 8.210 nan 0.000 0.445 324 S N 3.924 119.592 115.700 -0.054 0.000 2.757 324 S HA 0.475 4.945 4.470 0.000 0.000 0.285 324 S C -1.248 173.300 174.600 -0.086 0.000 1.196 324 S CA -1.078 57.091 58.200 -0.052 0.000 0.856 324 S CB 1.626 64.826 63.200 0.001 0.000 1.212 324 S HN 0.411 nan 8.310 nan 0.000 0.516 325 E N 1.854 122.017 120.200 -0.061 0.000 2.194 325 E HA 0.310 4.660 4.350 0.000 0.000 0.284 325 E C -0.256 176.331 176.600 -0.022 0.000 1.035 325 E CA -0.068 56.293 56.400 -0.065 0.000 0.836 325 E CB 1.520 31.189 29.700 -0.053 0.000 1.070 325 E HN 0.567 nan 8.360 nan 0.000 0.401 326 S N 2.691 118.387 115.700 -0.007 0.000 2.552 326 S HA -0.067 4.403 4.470 0.000 0.000 0.289 326 S C 0.746 175.356 174.600 0.017 0.000 1.304 326 S CA 0.008 58.240 58.200 0.055 0.000 1.063 326 S CB 0.298 63.560 63.200 0.102 0.000 0.848 326 S HN 0.286 nan 8.310 nan 0.000 0.499 327 Q N 2.563 122.379 119.800 0.027 0.000 2.198 327 Q HA 0.308 4.648 4.340 0.000 0.000 0.209 327 Q C 0.811 176.813 176.000 0.003 0.000 0.848 327 Q CA 0.548 56.356 55.803 0.008 0.000 0.974 327 Q CB 0.405 29.148 28.738 0.009 0.000 1.115 327 Q HN 1.003 nan 8.270 nan 0.000 0.494 328 G N 0.960 109.762 108.800 0.005 0.000 2.515 328 G HA2 -0.180 3.781 3.960 0.000 0.000 0.686 328 G HA3 -0.180 3.781 3.960 0.000 0.000 0.686 328 G C 0.150 175.057 174.900 0.011 0.000 1.274 328 G CA -0.534 44.559 45.100 -0.012 0.000 0.874 328 G HN 0.061 nan 8.290 nan 0.000 0.631 329 N N 0.106 118.796 118.700 -0.016 0.000 2.109 329 N HA -0.062 4.678 4.740 0.000 0.000 0.188 329 N C 2.009 177.542 175.510 0.040 0.000 1.034 329 N CA 1.824 54.881 53.050 0.012 0.000 0.846 329 N CB -0.150 38.314 38.487 -0.039 0.000 1.010 329 N HN 0.766 nan 8.380 nan 0.000 0.425 330 E N 0.830 121.039 120.200 0.015 0.000 2.072 330 E HA -0.150 4.200 4.350 0.000 0.000 0.191 330 E C 1.668 178.275 176.600 0.012 0.000 0.985 330 E CA 0.933 57.341 56.400 0.013 0.000 0.801 330 E CB 0.005 29.706 29.700 0.003 0.000 0.750 330 E HN 0.343 nan 8.360 nan 0.000 0.452 331 E N 0.977 121.184 120.200 0.011 0.000 2.077 331 E HA -0.188 4.162 4.350 0.000 0.000 0.193 331 E C 1.697 178.301 176.600 0.008 0.000 0.989 331 E CA 1.271 57.675 56.400 0.007 0.000 0.800 331 E CB -0.096 29.608 29.700 0.006 0.000 0.746 331 E HN 0.182 nan 8.360 nan 0.000 0.452 332 D N 0.479 120.898 120.400 0.031 0.000 2.097 332 D HA -0.147 4.493 4.640 0.000 0.000 0.195 332 D C 1.760 178.046 176.300 -0.024 0.000 0.989 332 D CA 0.909 54.924 54.000 0.025 0.000 0.827 332 D CB -0.129 40.741 40.800 0.117 0.000 0.966 332 D HN 0.192 nan 8.370 nan 0.000 0.456 333 E N 0.398 120.598 120.200 0.000 0.000 2.106 333 E HA -0.146 4.204 4.350 0.000 0.000 0.192 333 E C 2.177 178.756 176.600 -0.035 0.000 0.984 333 E CA 0.381 56.767 56.400 -0.022 0.000 0.806 333 E CB -0.009 29.694 29.700 0.004 0.000 0.750 333 E HN 0.255 nan 8.360 nan 0.000 0.458 334 R N 0.981 121.468 120.500 -0.021 0.000 2.062 334 R HA -0.079 4.261 4.340 0.000 0.000 0.231 334 R C 1.987 178.269 176.300 -0.030 0.000 1.136 334 R CA 1.620 57.707 56.100 -0.020 0.000 0.948 334 R CB -0.103 30.191 30.300 -0.011 0.000 0.845 334 R HN 0.171 nan 8.270 nan 0.000 0.430 335 N N 0.080 118.758 118.700 -0.036 0.000 2.149 335 N HA -0.175 4.566 4.740 0.000 0.000 0.188 335 N C 1.731 177.200 175.510 -0.068 0.000 1.019 335 N CA 1.160 54.186 53.050 -0.040 0.000 0.857 335 N CB -0.045 38.420 38.487 -0.037 0.000 0.997 335 N HN 0.213 nan 8.380 nan 0.000 0.426 336 L N 0.777 121.910 121.223 -0.151 0.000 2.109 336 L HA -0.069 4.271 4.340 0.000 0.000 0.207 336 L C 2.384 179.221 176.870 -0.055 0.000 1.086 336 L CA 0.992 55.684 54.840 -0.247 0.000 0.760 336 L CB -0.425 41.397 42.059 -0.393 0.000 0.910 336 L HN 0.200 nan 8.230 nan 0.000 0.437 337 R N 0.139 120.618 120.500 -0.035 0.000 2.081 337 R HA -0.141 4.199 4.340 0.000 0.000 0.235 337 R C 2.401 178.703 176.300 0.004 0.000 1.131 337 R CA 1.424 57.524 56.100 -0.001 0.000 0.960 337 R CB -0.370 29.924 30.300 -0.010 0.000 0.856 337 R HN 0.326 nan 8.270 nan 0.000 0.436 338 A N 0.579 123.395 122.820 -0.005 0.000 1.930 338 A HA -0.181 4.139 4.320 0.000 0.000 0.217 338 A C 1.923 179.490 177.584 -0.028 0.000 1.175 338 A CA 0.976 52.999 52.037 -0.023 0.000 0.627 338 A CB -0.570 18.417 19.000 -0.023 0.000 0.815 338 A HN 0.383 nan 8.150 nan 0.000 0.443 339 F N 1.268 121.137 119.950 -0.135 0.000 2.102 339 F HA -0.149 4.378 4.527 0.000 0.000 0.298 339 F C 2.426 178.124 175.800 -0.170 0.000 1.105 339 F CA 2.291 60.200 58.000 -0.151 0.000 1.239 339 F CB -0.564 38.343 39.000 -0.155 0.000 0.991 339 F HN 0.192 nan 8.300 nan 0.000 0.474 340 T N 0.142 114.721 114.554 0.041 0.000 2.746 340 T HA -0.190 4.160 4.350 0.000 0.000 0.267 340 T C 1.722 176.371 174.700 -0.085 0.000 1.039 340 T CA 1.743 63.876 62.100 0.055 0.000 1.142 340 T CB -0.334 68.669 68.868 0.226 0.000 0.866 340 T HN 0.394 nan 8.240 nan 0.000 0.444 341 E N 0.911 121.049 120.200 -0.103 0.000 2.085 341 E HA -0.104 4.246 4.350 0.000 0.000 0.194 341 E C 2.538 178.982 176.600 -0.261 0.000 0.994 341 E CA 1.095 57.414 56.400 -0.135 0.000 0.801 341 E CB -0.199 29.437 29.700 -0.107 0.000 0.743 341 E HN 0.486 nan 8.360 nan 0.000 0.453 342 A N 1.049 123.635 122.820 -0.390 0.000 1.898 342 A HA -0.157 4.164 4.320 0.000 0.000 0.216 342 A C 2.144 179.174 177.584 -0.924 0.000 1.181 342 A CA 1.112 52.745 52.037 -0.673 0.000 0.620 342 A CB -0.279 18.339 19.000 -0.636 0.000 0.819 342 A HN 0.116 nan 8.150 nan 0.000 0.442 343 M N -0.150 119.030 119.600 -0.700 0.000 2.149 343 M HA -0.118 4.362 4.480 0.000 0.000 0.261 343 M C 2.149 178.325 176.300 -0.207 0.000 1.064 343 M CA 1.970 56.992 55.300 -0.464 0.000 1.102 343 M CB -1.858 30.367 32.600 -0.625 0.000 1.369 343 M HN 0.447 nan 8.290 nan 0.000 0.408 344 T N 0.127 114.574 114.554 -0.180 0.000 2.737 344 T HA -0.096 4.254 4.350 0.000 0.000 0.265 344 T C 1.962 176.608 174.700 -0.089 0.000 1.038 344 T CA 1.082 63.139 62.100 -0.072 0.000 1.144 344 T CB -0.170 68.668 68.868 -0.049 0.000 0.866 344 T HN 0.379 nan 8.240 nan 0.000 0.434 345 R N 0.207 120.599 120.500 -0.179 0.000 2.103 345 R HA -0.106 4.234 4.340 0.000 0.000 0.242 345 R C 1.983 178.284 176.300 0.001 0.000 1.142 345 R CA 1.383 57.408 56.100 -0.125 0.000 0.960 345 R CB -0.418 29.761 30.300 -0.202 0.000 0.858 345 R HN 0.423 nan 8.270 nan 0.000 0.439 346 Y N 0.193 120.442 120.300 -0.085 0.000 2.578 346 Y HA 0.056 4.606 4.550 0.000 0.000 0.297 346 Y C 0.908 176.757 175.900 -0.085 0.000 1.176 346 Y CA -0.138 57.899 58.100 -0.105 0.000 1.315 346 Y CB -0.364 38.052 38.460 -0.073 0.000 1.031 346 Y HN 0.001 nan 8.280 nan 0.000 0.524 347 S N -0.308 115.438 115.700 0.077 0.000 3.978 347 S HA -0.041 4.429 4.470 0.000 0.000 0.402 347 S C -0.170 174.446 174.600 0.025 0.000 0.927 347 S CA 0.428 58.654 58.200 0.043 0.000 1.197 347 S CB -1.452 61.756 63.200 0.013 0.000 0.855 347 S HN 0.741 nan 8.310 nan 0.000 0.524 348 A N 2.081 124.941 122.820 0.065 0.000 3.422 348 A HA 0.591 4.911 4.320 0.000 0.000 0.271 348 A C -2.550 175.165 177.584 0.219 0.000 1.104 348 A CA -0.683 51.426 52.037 0.120 0.000 0.899 348 A CB 0.963 20.066 19.000 0.172 0.000 1.309 348 A HN 0.403 nan 8.150 nan 0.000 0.580 349 P HA 0.428 nan 4.420 nan 0.000 0.276 349 P C -2.981 174.393 177.300 0.124 0.000 1.252 349 P CA -1.446 61.731 63.100 0.128 0.000 0.802 349 P CB 0.612 32.322 31.700 0.017 0.000 1.035 350 P HA 0.160 nan 4.420 nan 0.000 0.286 350 P C 0.534 177.774 177.300 -0.099 0.000 1.261 350 P CA 0.003 63.029 63.100 -0.124 0.000 0.821 350 P CB 1.078 32.721 31.700 -0.096 0.000 1.013 351 G N 2.082 110.806 108.800 -0.125 0.000 2.535 351 G HA2 0.022 3.983 3.960 0.000 0.000 0.210 351 G HA3 0.022 3.983 3.960 0.000 0.000 0.210 351 G C -0.166 174.689 174.900 -0.075 0.000 1.593 351 G CA 0.093 45.148 45.100 -0.074 0.000 0.948 351 G HN 0.449 nan 8.290 nan 0.000 0.476 352 D N 0.869 121.224 120.400 -0.074 0.000 2.382 352 D HA 0.269 4.909 4.640 0.000 0.000 0.245 352 D C 0.411 176.667 176.300 -0.074 0.000 1.120 352 D CA 0.001 53.968 54.000 -0.056 0.000 0.890 352 D CB 1.523 42.302 40.800 -0.035 0.000 1.201 352 D HN 0.003 nan 8.370 nan 0.000 0.433 353 L N 3.245 124.447 121.223 -0.036 0.000 2.426 353 L HA 0.201 4.541 4.340 0.000 0.000 0.271 353 L C -1.701 175.176 176.870 0.012 0.000 1.169 353 L CA -1.529 53.305 54.840 -0.010 0.000 0.836 353 L CB 0.104 42.166 42.059 0.005 0.000 1.112 353 L HN 0.154 nan 8.230 nan 0.000 0.465 354 P HA 0.202 nan 4.420 nan 0.000 0.271 354 P C -1.038 176.265 177.300 0.006 0.000 1.218 354 P CA -0.327 62.830 63.100 0.095 0.000 0.780 354 P CB 0.853 32.661 31.700 0.180 0.000 0.901 355 R N 2.265 122.777 120.500 0.020 0.000 2.686 355 R HA 0.508 4.848 4.340 0.000 0.000 0.286 355 R C -2.609 173.672 176.300 -0.032 0.000 0.969 355 R CA -2.444 53.646 56.100 -0.017 0.000 0.898 355 R CB 1.000 31.302 30.300 0.003 0.000 1.183 355 R HN 0.322 nan 8.270 nan 0.000 0.456 356 P HA 0.159 nan 4.420 nan 0.000 0.271 356 P C -0.634 176.467 177.300 -0.332 0.000 1.216 356 P CA -0.016 62.955 63.100 -0.215 0.000 0.771 356 P CB 0.783 32.347 31.700 -0.227 0.000 0.864 357 E N 2.108 122.080 120.200 -0.381 0.000 2.238 357 E HA 0.238 4.588 4.350 0.000 0.000 0.267 357 E C -0.601 175.795 176.600 -0.340 0.000 0.887 357 E CA -0.390 55.841 56.400 -0.283 0.000 0.769 357 E CB 1.505 31.154 29.700 -0.085 0.000 1.187 357 E HN 0.438 nan 8.360 nan 0.000 0.416 358 Y N -0.190 120.241 120.300 0.218 0.000 2.641 358 Y HA 0.202 4.752 4.550 0.000 0.000 0.248 358 Y C 0.134 176.261 175.900 0.378 0.000 1.170 358 Y CA -0.428 57.864 58.100 0.319 0.000 1.201 358 Y CB 1.047 39.599 38.460 0.153 0.000 1.232 358 Y HN 0.264 nan 8.280 nan 0.000 0.537 359 D N 0.422 120.968 120.400 0.244 0.000 2.696 359 D HA 0.122 4.763 4.640 0.000 0.000 0.251 359 D C 0.562 176.629 176.300 -0.389 0.000 1.188 359 D CA -0.297 53.710 54.000 0.012 0.000 0.876 359 D CB 2.120 42.906 40.800 -0.023 0.000 1.334 359 D HN 0.141 nan 8.370 nan 0.000 0.540 360 L N 4.371 125.088 121.223 -0.843 0.000 2.127 360 L HA -0.046 4.294 4.340 0.000 0.000 0.211 360 L C 1.883 178.425 176.870 -0.547 0.000 1.089 360 L CA 1.909 56.072 54.840 -1.129 0.000 0.757 360 L CB -0.414 40.793 42.059 -1.421 0.000 0.899 360 L HN 0.621 nan 8.230 nan 0.000 0.434 361 E N -0.726 119.252 120.200 -0.371 0.000 2.204 361 E HA -0.192 4.158 4.350 0.000 0.000 0.195 361 E C 1.744 178.207 176.600 -0.229 0.000 0.990 361 E CA 0.986 57.238 56.400 -0.247 0.000 0.821 361 E CB -0.084 29.502 29.700 -0.191 0.000 0.750 361 E HN 0.607 nan 8.360 nan 0.000 0.477 362 L N 0.858 121.923 121.223 -0.263 0.000 2.628 362 L HA 0.263 4.603 4.340 0.000 0.000 0.229 362 L C 0.371 177.165 176.870 -0.127 0.000 1.137 362 L CA -0.251 54.469 54.840 -0.198 0.000 0.909 362 L CB 0.252 42.191 42.059 -0.200 0.000 1.137 362 L HN 0.041 nan 8.230 nan 0.000 0.470 363 I N 0.107 120.577 120.570 -0.167 0.000 2.342 363 I HA 0.141 4.311 4.170 0.000 0.000 0.291 363 I C 0.095 176.166 176.117 -0.077 0.000 1.010 363 I CA 0.138 61.364 61.300 -0.123 0.000 1.308 363 I CB 1.609 39.502 38.000 -0.179 0.000 1.400 363 I HN -0.097 nan 8.210 nan 0.000 0.488 364 T N 4.644 119.179 114.554 -0.032 0.000 2.758 364 T HA 0.231 4.581 4.350 0.000 0.000 0.285 364 T C -0.171 174.533 174.700 0.007 0.000 0.981 364 T CA -0.408 61.692 62.100 0.000 0.000 0.965 364 T CB 0.978 69.857 68.868 0.018 0.000 0.927 364 T HN 0.581 nan 8.240 nan 0.000 0.448 365 S N 2.241 117.952 115.700 0.018 0.000 2.530 365 S HA 0.337 4.807 4.470 0.000 0.000 0.322 365 S C 0.528 175.165 174.600 0.061 0.000 1.085 365 S CA -0.515 57.697 58.200 0.020 0.000 1.096 365 S CB -0.399 62.801 63.200 -0.000 0.000 0.988 365 S HN 0.972 nan 8.310 nan 0.000 0.466 366 C N 3.847 123.187 119.300 0.066 0.000 4.350 366 C HA -0.157 4.303 4.460 0.000 0.000 0.302 366 C C 1.356 176.443 174.990 0.162 0.000 1.390 366 C CA 0.619 59.712 59.018 0.124 0.000 2.016 366 C CB -3.289 24.550 27.740 0.165 0.000 1.271 366 C HN 1.335 nan 8.230 nan 0.000 0.760 367 S N -2.145 113.623 115.700 0.113 0.000 2.981 367 S HA -0.210 4.260 4.470 0.000 0.000 0.274 367 S C 0.400 175.060 174.600 0.101 0.000 1.297 367 S CA 1.496 59.754 58.200 0.096 0.000 1.266 367 S CB -0.696 62.565 63.200 0.101 0.000 1.542 367 S HN 1.016 nan 8.310 nan 0.000 0.674 368 S N 2.408 118.194 115.700 0.144 0.000 2.593 368 S HA 0.695 5.165 4.470 0.000 0.000 0.297 368 S C -0.074 174.582 174.600 0.094 0.000 1.112 368 S CA -0.835 57.470 58.200 0.175 0.000 1.043 368 S CB 1.396 64.782 63.200 0.310 0.000 1.054 368 S HN 0.612 nan 8.310 nan 0.000 0.516 369 N N -0.307 118.437 118.700 0.074 0.000 2.357 369 N HA 0.424 5.164 4.740 0.000 0.000 0.284 369 N C -1.409 174.077 175.510 -0.041 0.000 1.236 369 N CA -0.667 52.382 53.050 -0.001 0.000 0.774 369 N CB 0.941 39.421 38.487 -0.013 0.000 1.534 369 N HN 0.291 nan 8.380 nan 0.000 0.478 370 V N 0.449 120.295 119.914 -0.114 0.000 2.583 370 V HA 0.399 4.519 4.120 0.000 0.000 0.287 370 V C 0.544 176.502 176.094 -0.227 0.000 1.051 370 V CA -0.052 62.144 62.300 -0.174 0.000 1.010 370 V CB 0.728 32.445 31.823 -0.176 0.000 0.988 370 V HN 0.849 nan 8.190 nan 0.000 0.478 371 S N 3.070 118.506 115.700 -0.439 0.000 2.697 371 S HA 0.825 5.295 4.470 0.000 0.000 0.289 371 S C -1.257 173.020 174.600 -0.538 0.000 1.149 371 S CA -0.484 57.447 58.200 -0.448 0.000 0.850 371 S CB 2.098 65.025 63.200 -0.454 0.000 1.151 371 S HN 0.627 nan 8.310 nan 0.000 0.491 372 V N 0.875 120.643 119.914 -0.244 0.000 2.962 372 V HA 1.005 5.125 4.120 0.000 0.000 0.313 372 V C -0.372 175.740 176.094 0.030 0.000 1.099 372 V CA 0.302 62.471 62.300 -0.220 0.000 0.971 372 V CB 1.473 33.058 31.823 -0.396 0.000 1.028 372 V HN 1.359 nan 8.190 nan 0.000 0.430 373 A N 4.733 127.517 122.820 -0.060 0.000 2.534 373 A HA 0.894 5.214 4.320 0.000 0.000 0.300 373 A C -1.970 175.424 177.584 -0.318 0.000 1.223 373 A CA -0.733 51.171 52.037 -0.221 0.000 0.666 373 A CB 1.325 20.049 19.000 -0.459 0.000 1.316 373 A HN 0.822 nan 8.150 nan 0.000 0.468 374 L N 1.147 122.092 121.223 -0.463 0.000 2.342 374 L HA 0.480 4.821 4.340 0.000 0.000 0.271 374 L C -0.457 176.046 176.870 -0.611 0.000 1.008 374 L CA -0.933 53.617 54.840 -0.484 0.000 0.818 374 L CB 1.903 43.690 42.059 -0.453 0.000 1.296 374 L HN 0.973 nan 8.230 nan 0.000 0.427 375 D N -0.413 119.772 120.400 -0.358 0.000 2.511 375 D HA 0.111 4.752 4.640 0.000 0.000 0.276 375 D C 0.968 177.183 176.300 -0.142 0.000 1.220 375 D CA -0.282 53.569 54.000 -0.248 0.000 1.077 375 D CB 0.598 41.317 40.800 -0.136 0.000 1.126 375 D HN 0.439 nan 8.370 nan 0.000 0.583 376 S N -1.424 114.261 115.700 -0.025 0.000 2.515 376 S HA -0.060 4.410 4.470 0.000 0.000 0.231 376 S C 1.304 175.935 174.600 0.052 0.000 0.987 376 S CA 0.183 58.421 58.200 0.062 0.000 0.936 376 S CB -0.392 62.840 63.200 0.054 0.000 0.766 376 S HN 0.469 nan 8.310 nan 0.000 0.528 377 R N 0.568 121.079 120.500 0.018 0.000 2.427 377 R HA 0.355 4.695 4.340 0.000 0.000 0.262 377 R C 1.335 177.644 176.300 0.014 0.000 0.943 377 R CA 0.338 56.448 56.100 0.017 0.000 1.081 377 R CB 0.069 30.374 30.300 0.007 0.000 1.166 377 R HN 0.499 nan 8.270 nan 0.000 0.534 378 G N 1.836 110.644 108.800 0.015 0.000 2.148 378 G HA2 -0.365 3.595 3.960 0.000 0.000 0.254 378 G HA3 -0.365 3.595 3.960 0.000 0.000 0.254 378 G C 0.067 174.944 174.900 -0.038 0.000 0.981 378 G CA 0.169 45.272 45.100 0.005 0.000 0.670 378 G HN 0.376 nan 8.290 nan 0.000 0.528 379 R N 0.464 120.930 120.500 -0.056 0.000 2.390 379 R HA 0.476 4.816 4.340 0.000 0.000 0.291 379 R C 0.705 176.940 176.300 -0.108 0.000 1.070 379 R CA -0.747 55.318 56.100 -0.058 0.000 1.014 379 R CB 0.361 30.639 30.300 -0.036 0.000 1.007 379 R HN 0.318 nan 8.270 nan 0.000 0.466 380 R N 2.925 123.361 120.500 -0.108 0.000 2.522 380 R HA 0.085 4.425 4.340 0.000 0.000 0.284 380 R C -0.295 175.882 176.300 -0.205 0.000 1.032 380 R CA 0.337 56.319 56.100 -0.197 0.000 1.049 380 R CB 0.505 30.687 30.300 -0.196 0.000 0.956 380 R HN 0.380 nan 8.270 nan 0.000 0.422 381 R N 3.130 123.459 120.500 -0.286 0.000 2.574 381 R HA 0.258 4.598 4.340 0.000 0.000 0.288 381 R C -1.213 174.974 176.300 -0.189 0.000 1.004 381 R CA -0.897 55.112 56.100 -0.151 0.000 0.895 381 R CB 1.366 31.618 30.300 -0.080 0.000 1.191 381 R HN 0.512 nan 8.270 nan 0.000 0.444 382 Y N 2.729 123.073 120.300 0.073 0.000 2.419 382 Y HA 0.618 5.168 4.550 0.000 0.000 0.328 382 Y C 0.445 176.423 175.900 0.131 0.000 1.162 382 Y CA -0.614 57.504 58.100 0.029 0.000 1.174 382 Y CB 1.244 39.663 38.460 -0.068 0.000 1.228 382 Y HN 0.538 nan 8.280 nan 0.000 0.473 383 F N -0.405 119.616 119.950 0.118 0.000 2.713 383 F HA 0.630 5.157 4.527 0.000 0.000 0.311 383 F C -2.300 173.548 175.800 0.080 0.000 1.141 383 F CA -1.501 56.525 58.000 0.043 0.000 0.939 383 F CB 0.674 39.653 39.000 -0.036 0.000 1.325 383 F HN 0.259 nan 8.300 nan 0.000 0.453 384 L N 1.789 123.138 121.223 0.211 0.000 2.312 384 L HA 0.779 5.119 4.340 0.000 0.000 0.281 384 L C 0.051 177.205 176.870 0.474 0.000 1.070 384 L CA 0.521 55.496 54.840 0.225 0.000 0.805 384 L CB 1.380 43.582 42.059 0.239 0.000 1.174 384 L HN 1.030 nan 8.230 nan 0.000 0.434 385 T N 4.113 118.890 114.554 0.373 0.000 2.681 385 T HA 0.863 5.214 4.350 0.000 0.000 0.296 385 T C -1.281 173.502 174.700 0.139 0.000 1.157 385 T CA -0.565 61.764 62.100 0.383 0.000 1.025 385 T CB 1.165 70.293 68.868 0.433 0.000 1.441 385 T HN 0.862 nan 8.240 nan 0.000 0.504 386 R N 0.478 120.966 120.500 -0.019 0.000 2.728 386 R HA 0.456 4.796 4.340 0.000 0.000 0.274 386 R C -1.536 174.537 176.300 -0.379 0.000 1.030 386 R CA -0.990 55.001 56.100 -0.183 0.000 0.876 386 R CB 0.339 30.477 30.300 -0.270 0.000 1.259 386 R HN 0.539 nan 8.270 nan 0.000 0.468 387 D N 1.797 121.997 120.400 -0.333 0.000 2.472 387 D HA 0.042 4.682 4.640 0.000 0.000 0.248 387 D C -1.407 174.499 176.300 -0.657 0.000 1.174 387 D CA -1.097 52.656 54.000 -0.413 0.000 0.883 387 D CB 1.244 41.901 40.800 -0.238 0.000 1.149 387 D HN 0.350 nan 8.370 nan 0.000 0.488 388 P HA 0.037 nan 4.420 nan 0.000 0.255 388 P C 1.143 178.128 177.300 -0.525 0.000 1.248 388 P CA 0.026 62.443 63.100 -1.138 0.000 0.807 388 P CB 0.378 31.235 31.700 -1.405 0.000 1.150 389 T N -0.025 114.329 114.554 -0.333 0.000 2.607 389 T HA -0.137 4.213 4.350 0.000 0.000 0.267 389 T C 1.740 176.377 174.700 -0.104 0.000 1.049 389 T CA 2.488 64.491 62.100 -0.162 0.000 1.162 389 T CB -1.120 67.691 68.868 -0.095 0.000 0.863 389 T HN 0.186 nan 8.240 nan 0.000 0.424 390 T N 2.187 116.685 114.554 -0.094 0.000 2.737 390 T HA -0.046 4.304 4.350 0.000 0.000 0.265 390 T C -0.570 174.098 174.700 -0.053 0.000 1.038 390 T CA 1.176 63.247 62.100 -0.048 0.000 1.144 390 T CB -1.228 67.638 68.868 -0.003 0.000 0.866 390 T HN 0.335 nan 8.240 nan 0.000 0.434 391 P HA -0.028 nan 4.420 nan 0.000 0.216 391 P C 1.386 178.740 177.300 0.090 0.000 1.153 391 P CA 1.042 64.167 63.100 0.042 0.000 0.858 391 P CB -0.143 31.580 31.700 0.040 0.000 0.789 392 I N -1.742 118.833 120.570 0.009 0.000 2.353 392 I HA -0.169 4.001 4.170 0.000 0.000 0.248 392 I C 2.017 178.163 176.117 0.048 0.000 1.119 392 I CA 1.378 62.695 61.300 0.028 0.000 1.417 392 I CB -0.877 37.098 38.000 -0.041 0.000 1.078 392 I HN -0.022 nan 8.210 nan 0.000 0.421 393 T N 0.445 115.021 114.554 0.036 0.000 2.777 393 T HA -0.135 4.215 4.350 0.000 0.000 0.266 393 T C 2.039 176.803 174.700 0.108 0.000 1.040 393 T CA 1.224 63.365 62.100 0.069 0.000 1.141 393 T CB -0.179 68.714 68.868 0.042 0.000 0.868 393 T HN 0.276 nan 8.240 nan 0.000 0.444 394 R N 0.828 121.369 120.500 0.069 0.000 2.092 394 R HA 0.078 4.418 4.340 0.000 0.000 0.231 394 R C 2.809 179.268 176.300 0.265 0.000 1.119 394 R CA 1.122 57.285 56.100 0.105 0.000 0.970 394 R CB -0.411 29.902 30.300 0.021 0.000 0.864 394 R HN 0.344 nan 8.270 nan 0.000 0.440 395 A N 1.289 124.282 122.820 0.288 0.000 1.908 395 A HA -0.156 4.164 4.320 0.000 0.000 0.218 395 A C 2.361 180.133 177.584 0.314 0.000 1.181 395 A CA 1.772 54.074 52.037 0.442 0.000 0.627 395 A CB -0.653 18.613 19.000 0.442 0.000 0.818 395 A HN 0.403 nan 8.150 nan 0.000 0.445 396 A N -1.208 121.712 122.820 0.166 0.000 1.877 396 A HA -0.194 4.126 4.320 0.000 0.000 0.216 396 A C 2.124 179.829 177.584 0.201 0.000 1.186 396 A CA 1.469 53.574 52.037 0.114 0.000 0.620 396 A CB -0.950 18.107 19.000 0.095 0.000 0.822 396 A HN 0.843 nan 8.150 nan 0.000 0.443 397 W N 1.053 122.402 121.300 0.081 0.000 2.335 397 W HA -0.164 4.496 4.660 0.000 0.000 0.311 397 W C 1.679 178.265 176.519 0.111 0.000 1.213 397 W CA 2.043 59.434 57.345 0.078 0.000 1.274 397 W CB -0.402 29.087 29.460 0.048 0.000 1.148 397 W HN 0.553 nan 8.180 nan 0.000 0.498 398 E N -0.686 119.801 120.200 0.478 0.000 2.418 398 E HA -0.126 4.224 4.350 0.000 0.000 0.197 398 E C 1.958 178.743 176.600 0.308 0.000 1.026 398 E CA 1.370 58.026 56.400 0.425 0.000 0.862 398 E CB -0.124 29.875 29.700 0.497 0.000 0.799 398 E HN 0.121 nan 8.360 nan 0.000 0.518 399 T N 0.362 115.064 114.554 0.248 0.000 2.821 399 T HA -0.103 4.247 4.350 0.000 0.000 0.267 399 T C 2.015 176.723 174.700 0.014 0.000 1.046 399 T CA 1.434 63.612 62.100 0.130 0.000 1.139 399 T CB 0.102 69.040 68.868 0.116 0.000 0.871 399 T HN 0.201 nan 8.240 nan 0.000 0.454 400 V N -1.785 118.112 119.914 -0.028 0.000 3.644 400 V HA 0.476 4.596 4.120 0.000 0.000 0.267 400 V C 0.485 176.505 176.094 -0.124 0.000 1.277 400 V CA -0.138 62.099 62.300 -0.105 0.000 1.096 400 V CB -0.254 31.475 31.823 -0.157 0.000 0.828 400 V HN 0.048 nan 8.190 nan 0.000 0.446 401 R N 0.303 120.750 120.500 -0.088 0.000 2.468 401 R HA 0.452 4.792 4.340 0.000 0.000 0.302 401 R C -0.536 175.871 176.300 0.178 0.000 1.041 401 R CA -0.426 55.670 56.100 -0.006 0.000 0.899 401 R CB 0.496 30.732 30.300 -0.107 0.000 1.167 401 R HN 0.535 nan 8.270 nan 0.000 0.483 402 H N 0.767 119.893 119.070 0.092 0.000 3.094 402 H HA 0.021 4.577 4.556 0.000 0.000 0.320 402 H C -0.201 175.197 175.328 0.115 0.000 1.000 402 H CA 0.666 56.782 56.048 0.113 0.000 1.413 402 H CB 0.749 30.553 29.762 0.071 0.000 1.405 402 H HN 0.293 nan 8.280 nan 0.000 0.586 403 S N 4.812 120.708 115.700 0.327 0.000 2.498 403 S HA 0.198 4.668 4.470 0.000 0.000 0.317 403 S C -1.640 172.969 174.600 0.015 0.000 1.090 403 S CA -1.669 56.618 58.200 0.145 0.000 1.089 403 S CB 1.187 64.486 63.200 0.164 0.000 0.997 403 S HN 0.565 nan 8.310 nan 0.000 0.470 404 P HA -0.060 nan 4.420 nan 0.000 0.219 404 P C -0.417 176.806 177.300 -0.129 0.000 1.144 404 P CA 0.873 63.802 63.100 -0.285 0.000 0.806 404 P CB 0.103 31.460 31.700 -0.571 0.000 0.771 405 V N 0.768 120.647 119.914 -0.059 0.000 2.349 405 V HA 0.202 4.322 4.120 0.000 0.000 0.284 405 V C -0.076 176.012 176.094 -0.010 0.000 1.014 405 V CA -0.785 61.500 62.300 -0.025 0.000 0.826 405 V CB 1.310 33.112 31.823 -0.034 0.000 1.009 405 V HN -0.006 nan 8.190 nan 0.000 0.431 406 N N 3.189 121.858 118.700 -0.051 0.000 2.602 406 N HA 0.047 4.787 4.740 0.000 0.000 0.238 406 N C 1.524 176.840 175.510 -0.323 0.000 1.084 406 N CA 0.256 53.191 53.050 -0.191 0.000 0.952 406 N CB 1.613 39.787 38.487 -0.521 0.000 1.244 406 N HN 0.817 nan 8.380 nan 0.000 0.512 407 S N 2.380 118.025 115.700 -0.092 0.000 2.402 407 S HA -0.151 4.319 4.470 0.000 0.000 0.233 407 S C 1.843 176.405 174.600 -0.064 0.000 1.030 407 S CA 0.551 58.729 58.200 -0.037 0.000 1.003 407 S CB -0.424 62.803 63.200 0.045 0.000 0.813 407 S HN 0.790 nan 8.310 nan 0.000 0.477 408 W N 0.908 122.145 121.300 -0.106 0.000 2.374 408 W HA 0.008 4.668 4.660 0.000 0.000 0.288 408 W C 1.718 178.085 176.519 -0.253 0.000 1.218 408 W CA 0.426 57.652 57.345 -0.198 0.000 1.245 408 W CB -1.114 27.985 29.460 -0.603 0.000 1.126 408 W HN 0.360 nan 8.180 nan 0.000 0.545 409 L N 2.792 123.381 121.223 -1.058 0.000 2.072 409 L HA 0.174 4.514 4.340 0.000 0.000 0.205 409 L C 2.664 179.027 176.870 -0.846 0.000 1.079 409 L CA 2.542 56.728 54.840 -1.090 0.000 0.752 409 L CB -1.419 39.735 42.059 -1.508 0.000 0.906 409 L HN 0.050 nan 8.230 nan 0.000 0.436 410 G N -0.509 107.925 108.800 -0.610 0.000 2.440 410 G HA2 -0.315 3.645 3.960 0.000 0.000 0.218 410 G HA3 -0.315 3.645 3.960 0.000 0.000 0.218 410 G C 1.479 176.293 174.900 -0.144 0.000 1.154 410 G CA 0.824 45.769 45.100 -0.259 0.000 0.767 410 G HN 0.447 nan 8.290 nan 0.000 0.552 411 N N 0.481 119.175 118.700 -0.010 0.000 2.244 411 N HA -0.003 4.737 4.740 0.000 0.000 0.183 411 N C 2.262 177.826 175.510 0.091 0.000 1.016 411 N CA 0.598 53.772 53.050 0.206 0.000 0.866 411 N CB -0.111 38.599 38.487 0.372 0.000 0.980 411 N HN 0.351 nan 8.380 nan 0.000 0.430 412 I N 0.886 121.456 120.570 0.001 0.000 2.179 412 I HA -0.229 3.941 4.170 0.000 0.000 0.242 412 I C 2.005 178.107 176.117 -0.025 0.000 1.088 412 I CA 0.996 62.294 61.300 -0.004 0.000 1.357 412 I CB -0.141 37.895 38.000 0.059 0.000 1.051 412 I HN 0.017 nan 8.210 nan 0.000 0.409 413 I N 0.038 120.551 120.570 -0.095 0.000 2.202 413 I HA -0.280 3.890 4.170 0.000 0.000 0.242 413 I C 2.596 178.750 176.117 0.063 0.000 1.091 413 I CA 1.393 62.681 61.300 -0.021 0.000 1.368 413 I CB -0.294 37.648 38.000 -0.097 0.000 1.058 413 I HN 0.243 nan 8.210 nan 0.000 0.410 414 Q N -0.383 119.350 119.800 -0.111 0.000 2.079 414 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 414 Q C 0.647 176.420 176.000 -0.378 0.000 0.974 414 Q CA 1.462 57.073 55.803 -0.320 0.000 0.840 414 Q CB 0.139 28.390 28.738 -0.811 0.000 0.898 414 Q HN 0.520 nan 8.270 nan 0.000 0.430 415 Y N -1.559 118.725 120.300 -0.027 0.000 2.720 415 Y HA 0.404 4.954 4.550 0.000 0.000 0.268 415 Y C 1.149 176.816 175.900 -0.388 0.000 1.142 415 Y CA -0.244 57.730 58.100 -0.209 0.000 1.193 415 Y CB -0.121 38.171 38.460 -0.279 0.000 1.176 415 Y HN 0.060 nan 8.280 nan 0.000 0.542 416 A N 1.078 123.797 122.820 -0.168 0.000 1.917 416 A HA -0.166 4.154 4.320 0.000 0.000 0.219 416 A C -0.392 177.007 177.584 -0.308 0.000 1.182 416 A CA 1.719 53.657 52.037 -0.164 0.000 0.633 416 A CB -1.396 17.643 19.000 0.066 0.000 0.819 416 A HN 0.276 nan 8.150 nan 0.000 0.448 417 P HA 0.027 nan 4.420 nan 0.000 0.237 417 P C 0.552 177.509 177.300 -0.572 0.000 1.178 417 P CA 1.187 63.985 63.100 -0.504 0.000 0.766 417 P CB -0.403 30.940 31.700 -0.596 0.000 0.876 418 T N -3.255 110.968 114.554 -0.552 0.000 2.904 418 T HA 0.232 4.582 4.350 0.000 0.000 0.290 418 T C 1.200 175.481 174.700 -0.697 0.000 1.018 418 T CA -0.676 61.060 62.100 -0.606 0.000 1.075 418 T CB 0.761 69.186 68.868 -0.739 0.000 0.986 418 T HN -0.133 nan 8.240 nan 0.000 0.523 419 I N 1.355 121.418 120.570 -0.845 0.000 2.394 419 I HA -0.048 4.122 4.170 0.000 0.000 0.251 419 I C 2.083 177.912 176.117 -0.480 0.000 1.136 419 I CA 1.095 61.934 61.300 -0.768 0.000 1.425 419 I CB -0.113 37.307 38.000 -0.967 0.000 1.079 419 I HN 0.867 nan 8.210 nan 0.000 0.425 420 W N -0.172 120.899 121.300 -0.383 0.000 2.418 420 W HA -0.022 4.638 4.660 0.000 0.000 0.292 420 W C 1.886 178.256 176.519 -0.248 0.000 1.213 420 W CA 0.577 57.737 57.345 -0.307 0.000 1.283 420 W CB -1.586 27.724 29.460 -0.250 0.000 1.119 420 W HN -0.071 nan 8.180 nan 0.000 0.542 421 V N 2.433 121.896 119.914 -0.753 0.000 2.307 421 V HA -0.266 3.854 4.120 0.000 0.000 0.245 421 V C 2.857 178.790 176.094 -0.268 0.000 1.045 421 V CA 2.337 64.339 62.300 -0.496 0.000 1.024 421 V CB -0.799 30.647 31.823 -0.628 0.000 0.651 421 V HN 0.072 nan 8.190 nan 0.000 0.449 422 R N -0.757 119.517 120.500 -0.376 0.000 2.073 422 R HA -0.019 4.321 4.340 0.000 0.000 0.229 422 R C 2.284 178.426 176.300 -0.264 0.000 1.120 422 R CA 1.503 57.410 56.100 -0.323 0.000 0.967 422 R CB -0.263 29.715 30.300 -0.536 0.000 0.862 422 R HN 0.426 nan 8.270 nan 0.000 0.436 423 M N -0.538 118.774 119.600 -0.480 0.000 2.287 423 M HA -0.042 4.438 4.480 0.000 0.000 0.266 423 M C 1.859 178.090 176.300 -0.114 0.000 1.079 423 M CA 1.061 56.149 55.300 -0.354 0.000 1.146 423 M CB 0.420 32.736 32.600 -0.473 0.000 1.374 423 M HN -0.005 nan 8.290 nan 0.000 0.435 424 V N -0.195 119.497 119.914 -0.370 0.000 2.602 424 V HA -0.012 4.108 4.120 0.000 0.000 0.235 424 V C 2.034 177.903 176.094 -0.375 0.000 1.087 424 V CA 0.765 62.559 62.300 -0.842 0.000 1.117 424 V CB -0.150 31.131 31.823 -0.903 0.000 0.820 424 V HN 0.293 nan 8.190 nan 0.000 0.490 425 I N -0.273 120.254 120.570 -0.071 0.000 2.202 425 I HA -0.258 3.913 4.170 0.000 0.000 0.242 425 I C 2.540 178.894 176.117 0.395 0.000 1.091 425 I CA 1.807 63.232 61.300 0.209 0.000 1.368 425 I CB -0.235 37.940 38.000 0.292 0.000 1.058 425 I HN 0.277 nan 8.210 nan 0.000 0.410 426 M N 0.004 119.818 119.600 0.356 0.000 2.080 426 M HA -0.201 4.279 4.480 0.000 0.000 0.260 426 M C 2.389 179.148 176.300 0.764 0.000 1.068 426 M CA 2.083 57.723 55.300 0.567 0.000 1.109 426 M CB -0.629 32.169 32.600 0.330 0.000 1.342 426 M HN 0.244 nan 8.290 nan 0.000 0.405 427 T N -1.365 113.597 114.554 0.680 0.000 2.684 427 T HA -0.241 4.109 4.350 0.000 0.000 0.267 427 T C 1.620 176.573 174.700 0.423 0.000 1.036 427 T CA 1.976 64.447 62.100 0.618 0.000 1.148 427 T CB -0.555 68.713 68.868 0.667 0.000 0.863 427 T HN 0.496 nan 8.240 nan 0.000 0.436 428 H N 0.147 119.354 119.070 0.227 0.000 2.326 428 H HA 0.007 4.563 4.556 0.000 0.000 0.301 428 H C 1.752 176.934 175.328 -0.244 0.000 1.081 428 H CA 1.568 57.613 56.048 -0.005 0.000 1.334 428 H CB -0.380 29.254 29.762 -0.213 0.000 1.385 428 H HN 0.348 nan 8.280 nan 0.000 0.504 429 F N -1.188 118.727 119.950 -0.058 0.000 2.270 429 F HA 0.033 4.560 4.527 0.000 0.000 0.295 429 F C 1.887 177.536 175.800 -0.253 0.000 1.087 429 F CA 0.456 58.221 58.000 -0.391 0.000 1.365 429 F CB -0.495 38.037 39.000 -0.779 0.000 1.056 429 F HN 0.135 nan 8.300 nan 0.000 0.506 430 F N -0.530 119.521 119.950 0.168 0.000 2.216 430 F HA -0.197 4.330 4.527 0.000 0.000 0.300 430 F C 2.728 178.542 175.800 0.023 0.000 1.085 430 F CA 1.491 59.584 58.000 0.155 0.000 1.326 430 F CB -0.877 38.299 39.000 0.294 0.000 1.027 430 F HN -0.122 nan 8.300 nan 0.000 0.497 431 S N 0.290 116.050 115.700 0.099 0.000 2.368 431 S HA -0.173 4.297 4.470 0.000 0.000 0.225 431 S C 2.123 176.669 174.600 -0.089 0.000 1.030 431 S CA 1.371 59.558 58.200 -0.023 0.000 0.999 431 S CB -0.419 62.741 63.200 -0.067 0.000 0.844 431 S HN 0.307 nan 8.310 nan 0.000 0.459 432 I N 1.147 121.604 120.570 -0.189 0.000 2.252 432 I HA -0.161 4.009 4.170 0.000 0.000 0.245 432 I C 2.109 178.170 176.117 -0.094 0.000 1.102 432 I CA 0.966 62.150 61.300 -0.194 0.000 1.385 432 I CB -0.313 37.497 38.000 -0.317 0.000 1.064 432 I HN 0.288 nan 8.210 nan 0.000 0.414 433 L N 0.082 121.262 121.223 -0.071 0.000 2.083 433 L HA -0.228 4.112 4.340 0.000 0.000 0.209 433 L C 2.515 179.395 176.870 0.016 0.000 1.083 433 L CA 1.287 56.113 54.840 -0.023 0.000 0.752 433 L CB -0.504 41.515 42.059 -0.067 0.000 0.899 433 L HN 0.281 nan 8.230 nan 0.000 0.433 434 L N -0.481 120.761 121.223 0.032 0.000 2.046 434 L HA -0.186 4.154 4.340 0.000 0.000 0.208 434 L C 2.832 179.705 176.870 0.006 0.000 1.077 434 L CA 1.170 56.032 54.840 0.036 0.000 0.747 434 L CB -0.592 41.490 42.059 0.040 0.000 0.896 434 L HN 0.241 nan 8.230 nan 0.000 0.432 435 A N -0.791 122.017 122.820 -0.019 0.000 1.930 435 A HA -0.200 4.120 4.320 0.000 0.000 0.217 435 A C 2.140 179.712 177.584 -0.020 0.000 1.175 435 A CA 1.235 53.254 52.037 -0.029 0.000 0.627 435 A CB -0.301 18.666 19.000 -0.055 0.000 0.815 435 A HN 0.475 nan 8.150 nan 0.000 0.443 436 Q N -1.563 118.228 119.800 -0.016 0.000 2.432 436 Q HA 0.005 4.345 4.340 0.000 0.000 0.205 436 Q C -0.203 175.807 176.000 0.017 0.000 0.945 436 Q CA 0.379 56.181 55.803 -0.002 0.000 0.924 436 Q CB 0.179 28.918 28.738 0.002 0.000 1.016 436 Q HN 0.604 nan 8.270 nan 0.000 0.503 437 D N 0.587 120.999 120.400 0.021 0.000 2.689 437 D HA -0.140 4.500 4.640 0.000 0.000 0.237 437 D C -0.390 175.937 176.300 0.044 0.000 1.148 437 D CA 1.309 55.328 54.000 0.033 0.000 0.656 437 D CB -0.978 39.838 40.800 0.027 0.000 1.050 437 D HN 0.417 nan 8.370 nan 0.000 0.426 438 T N -3.190 111.395 114.554 0.051 0.000 3.331 438 T HA 0.228 4.578 4.350 0.000 0.000 0.282 438 T C 1.545 176.290 174.700 0.074 0.000 1.010 438 T CA -0.586 61.554 62.100 0.067 0.000 0.928 438 T CB 0.131 69.047 68.868 0.080 0.000 1.154 438 T HN 0.052 nan 8.240 nan 0.000 0.516 439 L N 2.086 123.353 121.223 0.073 0.000 2.079 439 L HA 0.081 4.421 4.340 0.000 0.000 0.210 439 L C 2.036 178.963 176.870 0.095 0.000 1.081 439 L CA 1.510 56.403 54.840 0.089 0.000 0.752 439 L CB -1.065 41.069 42.059 0.124 0.000 0.896 439 L HN 0.402 nan 8.230 nan 0.000 0.433 440 N N -0.356 118.396 118.700 0.085 0.000 2.370 440 N HA -0.048 4.692 4.740 0.000 0.000 0.198 440 N C 0.320 175.878 175.510 0.081 0.000 1.156 440 N CA 0.081 53.180 53.050 0.081 0.000 0.839 440 N CB 0.069 38.597 38.487 0.068 0.000 0.989 440 N HN 0.452 nan 8.380 nan 0.000 0.468 441 Q N 0.413 120.265 119.800 0.088 0.000 2.290 441 Q HA 0.274 4.614 4.340 0.000 0.000 0.259 441 Q C -1.051 175.010 176.000 0.102 0.000 0.941 441 Q CA -0.729 55.129 55.803 0.092 0.000 0.912 441 Q CB 0.691 29.488 28.738 0.098 0.000 1.244 441 Q HN 0.086 nan 8.270 nan 0.000 0.441 442 N N 2.860 121.621 118.700 0.101 0.000 2.492 442 N HA 0.266 5.006 4.740 0.000 0.000 0.260 442 N C -1.185 174.396 175.510 0.119 0.000 1.215 442 N CA 0.419 53.538 53.050 0.115 0.000 0.923 442 N CB 0.535 39.094 38.487 0.120 0.000 1.092 442 N HN 0.469 nan 8.380 nan 0.000 0.448 443 L N 1.801 123.099 121.223 0.125 0.000 2.408 443 L HA 0.453 4.794 4.340 0.000 0.000 0.268 443 L C -0.567 176.401 176.870 0.162 0.000 0.986 443 L CA -1.089 53.817 54.840 0.111 0.000 0.820 443 L CB 1.780 43.863 42.059 0.041 0.000 1.303 443 L HN 0.440 nan 8.230 nan 0.000 0.411 444 N N 2.850 121.629 118.700 0.132 0.000 2.499 444 N HA 0.578 5.318 4.740 0.000 0.000 0.281 444 N C -0.930 174.647 175.510 0.111 0.000 1.098 444 N CA -0.003 53.118 53.050 0.118 0.000 0.979 444 N CB 1.476 40.029 38.487 0.110 0.000 1.121 444 N HN 0.412 nan 8.380 nan 0.000 0.466 445 F N -1.668 118.224 119.950 -0.096 0.000 2.626 445 F HA 0.540 5.067 4.527 0.000 0.000 0.311 445 F C -0.166 175.581 175.800 -0.089 0.000 1.088 445 F CA -1.279 56.622 58.000 -0.165 0.000 0.949 445 F CB 1.375 40.196 39.000 -0.298 0.000 1.322 445 F HN 0.286 nan 8.300 nan 0.000 0.461 446 E N 3.049 123.246 120.200 -0.005 0.000 2.214 446 E HA 0.635 4.985 4.350 0.000 0.000 0.274 446 E C -1.403 175.218 176.600 0.036 0.000 0.977 446 E CA -1.015 55.353 56.400 -0.053 0.000 0.827 446 E CB 1.742 31.422 29.700 -0.033 0.000 1.130 446 E HN 0.899 nan 8.360 nan 0.000 0.394 447 M N 4.519 124.130 119.600 0.018 0.000 2.319 447 M HA 0.140 4.620 4.480 0.000 0.000 0.265 447 M C -1.717 174.661 176.300 0.129 0.000 1.038 447 M CA -0.424 54.863 55.300 -0.022 0.000 0.946 447 M CB 0.877 33.388 32.600 -0.149 0.000 1.984 447 M HN 0.753 nan 8.290 nan 0.000 0.482 448 Y N 2.283 122.677 120.300 0.158 0.000 3.234 448 Y HA -0.135 4.415 4.550 0.000 0.000 0.207 448 Y C 1.058 176.937 175.900 -0.035 0.000 1.316 448 Y CA 2.063 60.270 58.100 0.178 0.000 1.309 448 Y CB -2.258 36.392 38.460 0.317 0.000 1.408 448 Y HN 1.198 nan 8.280 nan 0.000 0.544 449 G N -1.726 107.115 108.800 0.069 0.000 2.160 449 G HA2 0.148 4.108 3.960 0.000 0.000 0.251 449 G HA3 0.148 4.108 3.960 0.000 0.000 0.251 449 G C 0.228 175.036 174.900 -0.153 0.000 1.008 449 G CA 0.439 45.484 45.100 -0.091 0.000 0.724 449 G HN 1.706 nan 8.290 nan 0.000 0.514 450 A N -1.700 121.023 122.820 -0.163 0.000 2.593 450 A HA 0.911 5.231 4.320 0.000 0.000 0.290 450 A C -0.618 176.675 177.584 -0.485 0.000 1.126 450 A CA -0.093 51.694 52.037 -0.416 0.000 0.695 450 A CB 1.870 20.433 19.000 -0.729 0.000 1.290 450 A HN 1.307 nan 8.150 nan 0.000 0.414 451 V N 0.671 120.186 119.914 -0.665 0.000 2.513 451 V HA 0.623 4.743 4.120 0.000 0.000 0.299 451 V C -1.028 174.515 176.094 -0.919 0.000 1.035 451 V CA -0.254 61.731 62.300 -0.524 0.000 0.889 451 V CB 0.940 32.663 31.823 -0.166 0.000 0.988 451 V HN 0.801 nan 8.190 nan 0.000 0.440 452 Y N 1.099 120.828 120.300 -0.951 0.000 2.634 452 Y HA 0.681 5.231 4.550 0.000 0.000 0.340 452 Y C 0.261 175.747 175.900 -0.689 0.000 1.058 452 Y CA -0.876 56.581 58.100 -1.072 0.000 1.081 452 Y CB 2.308 39.837 38.460 -1.551 0.000 1.295 452 Y HN 0.502 nan 8.280 nan 0.000 0.487 453 S N 1.036 116.643 115.700 -0.156 0.000 2.647 453 S HA 0.783 5.253 4.470 0.000 0.000 0.300 453 S C -1.858 172.909 174.600 0.279 0.000 1.129 453 S CA -0.428 57.844 58.200 0.121 0.000 1.029 453 S CB 0.740 64.029 63.200 0.149 0.000 1.007 453 S HN 0.442 nan 8.310 nan 0.000 0.484 454 V N 5.118 125.239 119.914 0.344 0.000 2.841 454 V HA 0.514 4.634 4.120 0.000 0.000 0.310 454 V C -0.482 175.713 176.094 0.169 0.000 1.090 454 V CA -1.082 61.395 62.300 0.294 0.000 0.930 454 V CB 2.242 34.268 31.823 0.337 0.000 1.014 454 V HN 0.890 nan 8.190 nan 0.000 0.425 455 N N 4.779 123.566 118.700 0.143 0.000 2.419 455 N HA 0.298 5.038 4.740 0.000 0.000 0.264 455 N C -1.939 173.636 175.510 0.108 0.000 1.031 455 N CA -1.673 51.445 53.050 0.113 0.000 0.951 455 N CB 2.322 40.871 38.487 0.105 0.000 1.101 455 N HN 0.257 nan 8.380 nan 0.000 0.488 456 P HA -0.093 nan 4.420 nan 0.000 0.217 456 P C 1.406 178.838 177.300 0.221 0.000 1.148 456 P CA 1.018 64.188 63.100 0.116 0.000 0.828 456 P CB 0.320 32.031 31.700 0.018 0.000 0.783 457 L N -0.765 120.568 121.223 0.183 0.000 2.265 457 L HA -0.133 4.207 4.340 0.000 0.000 0.215 457 L C 1.370 178.313 176.870 0.122 0.000 1.117 457 L CA 1.188 56.133 54.840 0.176 0.000 0.782 457 L CB -0.747 41.388 42.059 0.126 0.000 0.914 457 L HN -0.026 nan 8.230 nan 0.000 0.441 458 D N -0.254 120.212 120.400 0.109 0.000 2.349 458 D HA -0.000 4.640 4.640 0.000 0.000 0.224 458 D C 2.221 178.574 176.300 0.088 0.000 1.029 458 D CA 0.377 54.422 54.000 0.075 0.000 0.879 458 D CB 0.298 41.140 40.800 0.070 0.000 0.906 458 D HN 0.323 nan 8.370 nan 0.000 0.528 459 L N 0.866 122.175 121.223 0.143 0.000 2.046 459 L HA -0.123 4.217 4.340 0.000 0.000 0.208 459 L C -0.461 176.504 176.870 0.158 0.000 1.077 459 L CA 1.352 56.291 54.840 0.166 0.000 0.747 459 L CB -1.318 40.901 42.059 0.268 0.000 0.896 459 L HN 0.026 nan 8.230 nan 0.000 0.432 460 P HA -0.203 nan 4.420 nan 0.000 0.215 460 P C 1.408 178.793 177.300 0.141 0.000 1.157 460 P CA 1.908 65.061 63.100 0.089 0.000 0.874 460 P CB -0.003 31.571 31.700 -0.210 0.000 0.790 461 A N -1.041 121.792 122.820 0.022 0.000 1.930 461 A HA -0.137 4.183 4.320 0.000 0.000 0.217 461 A C 2.207 179.798 177.584 0.011 0.000 1.175 461 A CA 1.283 53.322 52.037 0.004 0.000 0.627 461 A CB -1.572 17.405 19.000 -0.037 0.000 0.815 461 A HN 0.103 nan 8.150 nan 0.000 0.443 462 I N -0.327 120.250 120.570 0.011 0.000 2.226 462 I HA -0.248 3.922 4.170 0.000 0.000 0.245 462 I C 2.254 178.353 176.117 -0.030 0.000 1.100 462 I CA 1.250 62.528 61.300 -0.036 0.000 1.374 462 I CB -0.266 37.738 38.000 0.006 0.000 1.057 462 I HN 0.294 nan 8.210 nan 0.000 0.413 463 I N 0.376 120.980 120.570 0.056 0.000 2.252 463 I HA -0.283 3.887 4.170 0.000 0.000 0.245 463 I C 2.623 178.702 176.117 -0.062 0.000 1.102 463 I CA 1.402 62.718 61.300 0.027 0.000 1.385 463 I CB -0.362 37.735 38.000 0.161 0.000 1.064 463 I HN 0.288 nan 8.210 nan 0.000 0.414 464 E N 1.073 121.302 120.200 0.049 0.000 2.051 464 E HA -0.309 4.041 4.350 0.000 0.000 0.192 464 E C 2.309 178.891 176.600 -0.029 0.000 0.991 464 E CA 1.260 57.674 56.400 0.023 0.000 0.799 464 E CB 0.041 29.854 29.700 0.188 0.000 0.748 464 E HN 0.150 nan 8.360 nan 0.000 0.449 465 R N 0.779 121.253 120.500 -0.043 0.000 2.083 465 R HA -0.108 4.232 4.340 0.000 0.000 0.237 465 R C 2.293 178.531 176.300 -0.103 0.000 1.137 465 R CA 1.632 57.690 56.100 -0.070 0.000 0.951 465 R CB -0.720 29.521 30.300 -0.099 0.000 0.851 465 R HN 0.283 nan 8.270 nan 0.000 0.434 466 L N -1.230 119.882 121.223 -0.185 0.000 2.072 466 L HA -0.083 4.257 4.340 0.000 0.000 0.205 466 L C 1.665 178.344 176.870 -0.319 0.000 1.079 466 L CA 1.140 55.795 54.840 -0.309 0.000 0.752 466 L CB -0.355 41.387 42.059 -0.528 0.000 0.906 466 L HN 0.359 nan 8.230 nan 0.000 0.436 467 H N -1.092 117.941 119.070 -0.063 0.000 2.986 467 H HA 0.353 4.909 4.556 0.000 0.000 0.267 467 H C 0.825 176.081 175.328 -0.120 0.000 1.072 467 H CA 0.544 56.537 56.048 -0.092 0.000 1.202 467 H CB 0.724 30.402 29.762 -0.140 0.000 1.535 467 H HN 0.261 nan 8.280 nan 0.000 0.522 468 G N 0.903 109.686 108.800 -0.028 0.000 2.733 468 G HA2 -0.228 3.732 3.960 0.000 0.000 0.686 468 G HA3 -0.228 3.732 3.960 0.000 0.000 0.686 468 G C 0.773 175.596 174.900 -0.129 0.000 1.373 468 G CA -0.147 44.926 45.100 -0.044 0.000 0.838 468 G HN 0.266 nan 8.290 nan 0.000 0.588 469 L N 0.753 121.959 121.223 -0.027 0.000 2.189 469 L HA -0.146 4.194 4.340 0.000 0.000 0.214 469 L C 3.060 179.900 176.870 -0.051 0.000 1.097 469 L CA 2.349 57.222 54.840 0.054 0.000 0.764 469 L CB -0.265 41.892 42.059 0.163 0.000 0.900 469 L HN 0.914 nan 8.230 nan 0.000 0.436 470 E N 0.473 120.622 120.200 -0.084 0.000 2.209 470 E HA -0.251 4.099 4.350 0.000 0.000 0.196 470 E C 1.972 178.453 176.600 -0.198 0.000 0.993 470 E CA 1.324 57.661 56.400 -0.106 0.000 0.819 470 E CB -0.323 29.322 29.700 -0.092 0.000 0.745 470 E HN 0.472 nan 8.360 nan 0.000 0.477 471 A N 0.802 123.421 122.820 -0.336 0.000 2.076 471 A HA -0.105 4.215 4.320 0.000 0.000 0.220 471 A C 1.373 178.728 177.584 -0.382 0.000 1.160 471 A CA 1.015 52.790 52.037 -0.438 0.000 0.653 471 A CB -0.694 17.992 19.000 -0.522 0.000 0.801 471 A HN 0.256 nan 8.150 nan 0.000 0.455 472 F N -0.457 119.497 119.950 0.006 0.000 2.727 472 F HA 0.170 4.697 4.527 0.000 0.000 0.302 472 F C 1.742 177.560 175.800 0.030 0.000 1.097 472 F CA 0.342 58.361 58.000 0.031 0.000 1.330 472 F CB 0.063 39.093 39.000 0.051 0.000 1.084 472 F HN 0.247 nan 8.300 nan 0.000 0.578 473 S N -1.335 114.426 115.700 0.101 0.000 2.960 473 S HA 0.303 4.773 4.470 0.000 0.000 0.256 473 S C 0.007 174.583 174.600 -0.039 0.000 1.017 473 S CA -0.359 57.886 58.200 0.074 0.000 1.144 473 S CB -0.553 62.686 63.200 0.065 0.000 1.109 473 S HN 0.049 nan 8.310 nan 0.000 0.638 474 L N 3.449 124.577 121.223 -0.157 0.000 2.485 474 L HA 0.409 4.749 4.340 0.000 0.000 0.275 474 L C 0.580 177.231 176.870 -0.366 0.000 1.207 474 L CA 0.187 54.795 54.840 -0.386 0.000 0.855 474 L CB 0.003 41.745 42.059 -0.528 0.000 1.114 474 L HN 0.671 nan 8.230 nan 0.000 0.485 475 H N -1.451 117.354 119.070 -0.441 0.000 2.933 475 H HA 0.319 4.875 4.556 0.000 0.000 0.310 475 H C -0.390 174.715 175.328 -0.373 0.000 1.351 475 H CA -0.857 54.992 56.048 -0.332 0.000 1.137 475 H CB 0.872 30.576 29.762 -0.096 0.000 1.853 475 H HN 0.420 nan 8.280 nan 0.000 0.539 476 T N 0.343 114.973 114.554 0.127 0.000 3.782 476 T HA -0.231 4.120 4.350 0.000 0.000 0.383 476 T C -0.505 174.173 174.700 -0.037 0.000 0.762 476 T CA 0.894 63.052 62.100 0.096 0.000 2.005 476 T CB -2.617 66.356 68.868 0.175 0.000 1.765 476 T HN 0.523 nan 8.240 nan 0.000 0.774 477 Y N 1.320 121.662 120.300 0.069 0.000 2.385 477 Y HA 0.335 4.885 4.550 0.000 0.000 0.346 477 Y C 1.506 177.455 175.900 0.082 0.000 1.270 477 Y CA 0.149 58.300 58.100 0.086 0.000 1.472 477 Y CB 0.495 39.004 38.460 0.082 0.000 1.354 477 Y HN 0.518 nan 8.280 nan 0.000 0.611 478 S N 2.145 118.011 115.700 0.276 0.000 2.592 478 S HA 0.171 4.641 4.470 0.000 0.000 0.271 478 S C -1.813 172.881 174.600 0.157 0.000 1.326 478 S CA -1.190 57.112 58.200 0.170 0.000 1.024 478 S CB 1.292 64.582 63.200 0.149 0.000 0.921 478 S HN 0.490 nan 8.310 nan 0.000 0.527 479 P HA -0.198 nan 4.420 nan 0.000 0.217 479 P C 1.387 178.759 177.300 0.119 0.000 1.150 479 P CA 1.476 64.640 63.100 0.107 0.000 0.832 479 P CB -0.350 31.404 31.700 0.090 0.000 0.787 480 H N 0.268 119.360 119.070 0.037 0.000 2.352 480 H HA -0.177 4.379 4.556 0.000 0.000 0.299 480 H C 2.062 177.403 175.328 0.022 0.000 1.097 480 H CA 1.952 58.012 56.048 0.020 0.000 1.311 480 H CB 0.138 29.904 29.762 0.007 0.000 1.377 480 H HN 0.024 nan 8.280 nan 0.000 0.504 481 E N 0.752 120.971 120.200 0.031 0.000 2.028 481 E HA -0.095 4.255 4.350 0.000 0.000 0.191 481 E C 2.673 179.249 176.600 -0.041 0.000 0.988 481 E CA 1.024 57.416 56.400 -0.012 0.000 0.799 481 E CB -0.380 29.409 29.700 0.148 0.000 0.755 481 E HN 0.496 nan 8.360 nan 0.000 0.447 482 L N 0.112 121.345 121.223 0.016 0.000 2.083 482 L HA -0.144 4.196 4.340 0.000 0.000 0.209 482 L C 2.513 179.368 176.870 -0.024 0.000 1.083 482 L CA 1.221 56.062 54.840 0.003 0.000 0.752 482 L CB -0.395 41.696 42.059 0.052 0.000 0.899 482 L HN 0.111 nan 8.230 nan 0.000 0.433 483 S N -0.434 115.247 115.700 -0.031 0.000 2.359 483 S HA -0.234 4.236 4.470 0.000 0.000 0.224 483 S C 2.062 176.608 174.600 -0.090 0.000 1.035 483 S CA 1.423 59.597 58.200 -0.044 0.000 1.018 483 S CB -0.283 62.899 63.200 -0.030 0.000 0.876 483 S HN 0.343 nan 8.310 nan 0.000 0.448 484 R N 0.750 121.151 120.500 -0.165 0.000 2.075 484 R HA -0.053 4.287 4.340 0.000 0.000 0.232 484 R C 2.075 178.273 176.300 -0.170 0.000 1.126 484 R CA 1.213 57.191 56.100 -0.202 0.000 0.963 484 R CB -0.352 29.759 30.300 -0.315 0.000 0.858 484 R HN 0.250 nan 8.270 nan 0.000 0.435 485 V N 0.959 120.785 119.914 -0.147 0.000 2.307 485 V HA -0.209 3.911 4.120 0.000 0.000 0.245 485 V C 2.462 178.511 176.094 -0.076 0.000 1.045 485 V CA 1.882 64.105 62.300 -0.128 0.000 1.024 485 V CB -0.742 31.034 31.823 -0.080 0.000 0.651 485 V HN 0.541 nan 8.190 nan 0.000 0.449 486 A N 0.170 122.962 122.820 -0.046 0.000 1.908 486 A HA -0.188 4.132 4.320 0.000 0.000 0.218 486 A C 2.415 179.991 177.584 -0.014 0.000 1.181 486 A CA 2.325 54.354 52.037 -0.014 0.000 0.627 486 A CB -0.853 18.146 19.000 -0.001 0.000 0.818 486 A HN 0.594 nan 8.150 nan 0.000 0.445 487 A N -1.400 121.400 122.820 -0.033 0.000 1.972 487 A HA -0.048 4.273 4.320 0.000 0.000 0.219 487 A C 2.281 179.851 177.584 -0.022 0.000 1.169 487 A CA 2.210 54.233 52.037 -0.023 0.000 0.635 487 A CB -1.083 17.894 19.000 -0.037 0.000 0.810 487 A HN 0.439 nan 8.150 nan 0.000 0.446 488 T N 0.467 114.987 114.554 -0.057 0.000 2.737 488 T HA -0.047 4.303 4.350 0.000 0.000 0.265 488 T C 1.806 176.495 174.700 -0.017 0.000 1.038 488 T CA 1.417 63.480 62.100 -0.061 0.000 1.144 488 T CB -0.372 68.412 68.868 -0.139 0.000 0.866 488 T HN 0.387 nan 8.240 nan 0.000 0.434 489 L N 0.685 121.902 121.223 -0.010 0.000 2.083 489 L HA -0.082 4.258 4.340 0.000 0.000 0.209 489 L C 2.823 179.710 176.870 0.028 0.000 1.083 489 L CA 1.364 56.219 54.840 0.025 0.000 0.752 489 L CB -0.543 41.551 42.059 0.059 0.000 0.899 489 L HN 0.177 nan 8.230 nan 0.000 0.433 490 R N 1.012 121.537 120.500 0.041 0.000 2.075 490 R HA -0.210 4.131 4.340 0.000 0.000 0.232 490 R C 2.375 178.767 176.300 0.153 0.000 1.126 490 R CA 1.741 57.887 56.100 0.076 0.000 0.963 490 R CB -0.106 30.233 30.300 0.065 0.000 0.858 490 R HN 0.210 nan 8.270 nan 0.000 0.435 491 K N 0.447 120.922 120.400 0.125 0.000 2.097 491 K HA -0.087 4.233 4.320 0.000 0.000 0.206 491 K C 1.860 178.636 176.600 0.294 0.000 1.049 491 K CA 1.319 57.709 56.287 0.172 0.000 0.933 491 K CB 0.013 32.565 32.500 0.086 0.000 0.717 491 K HN 0.264 nan 8.250 nan 0.000 0.442 492 L N -0.344 120.982 121.223 0.173 0.000 2.509 492 L HA 0.169 4.509 4.340 0.000 0.000 0.222 492 L C 0.910 177.713 176.870 -0.112 0.000 1.123 492 L CA 0.386 55.310 54.840 0.140 0.000 0.856 492 L CB 0.046 42.138 42.059 0.054 0.000 0.985 492 L HN 0.535 nan 8.230 nan 0.000 0.456 493 G N 1.199 109.792 108.800 -0.345 0.000 2.272 493 G HA2 -0.224 3.736 3.960 0.000 0.000 0.280 493 G HA3 -0.224 3.736 3.960 0.000 0.000 0.280 493 G C 0.244 174.893 174.900 -0.418 0.000 1.067 493 G CA 0.203 44.762 45.100 -0.901 0.000 0.902 493 G HN 0.491 nan 8.290 nan 0.000 0.500 494 A N -0.055 122.677 122.820 -0.147 0.000 2.286 494 A HA 0.878 5.198 4.320 0.000 0.000 0.286 494 A C -1.388 176.220 177.584 0.040 0.000 1.097 494 A CA -1.330 50.717 52.037 0.016 0.000 0.821 494 A CB 0.681 19.773 19.000 0.154 0.000 1.076 494 A HN 0.222 nan 8.150 nan 0.000 0.490 495 P HA 0.184 nan 4.420 nan 0.000 0.267 495 P C -2.420 174.940 177.300 0.099 0.000 1.200 495 P CA -0.614 62.433 63.100 -0.090 0.000 0.772 495 P CB -0.099 31.310 31.700 -0.485 0.000 0.855 496 P HA 0.103 nan 4.420 nan 0.000 0.274 496 P C 0.849 178.293 177.300 0.239 0.000 1.246 496 P CA -0.140 63.036 63.100 0.127 0.000 0.795 496 P CB 0.820 32.555 31.700 0.057 0.000 1.006 497 L N 0.728 122.109 121.223 0.262 0.000 2.079 497 L HA -0.210 4.130 4.340 0.000 0.000 0.210 497 L C 2.887 179.920 176.870 0.271 0.000 1.081 497 L CA 1.792 56.819 54.840 0.312 0.000 0.752 497 L CB -0.795 41.358 42.059 0.156 0.000 0.896 497 L HN 0.490 nan 8.230 nan 0.000 0.433 498 R N 0.756 121.357 120.500 0.167 0.000 2.096 498 R HA -0.142 4.198 4.340 0.000 0.000 0.235 498 R C 2.230 178.590 176.300 0.100 0.000 1.127 498 R CA 1.379 57.558 56.100 0.133 0.000 0.968 498 R CB -0.725 29.623 30.300 0.081 0.000 0.861 498 R HN 0.239 nan 8.270 nan 0.000 0.440 499 A N 1.156 123.990 122.820 0.023 0.000 1.898 499 A HA -0.102 4.218 4.320 0.000 0.000 0.216 499 A C 1.820 179.331 177.584 -0.121 0.000 1.181 499 A CA 1.054 53.025 52.037 -0.112 0.000 0.620 499 A CB -0.982 17.861 19.000 -0.262 0.000 0.819 499 A HN 0.580 nan 8.150 nan 0.000 0.442 500 W N 0.153 121.519 121.300 0.110 0.000 2.374 500 W HA -0.108 4.552 4.660 0.000 0.000 0.288 500 W C 2.333 179.021 176.519 0.282 0.000 1.218 500 W CA 1.517 58.967 57.345 0.176 0.000 1.245 500 W CB 0.060 29.624 29.460 0.174 0.000 1.126 500 W HN 0.316 nan 8.180 nan 0.000 0.545 501 K N 0.194 120.887 120.400 0.488 0.000 2.057 501 K HA -0.143 4.178 4.320 0.000 0.000 0.206 501 K C 2.058 178.761 176.600 0.171 0.000 1.050 501 K CA 1.750 58.304 56.287 0.446 0.000 0.935 501 K CB -0.303 32.452 32.500 0.425 0.000 0.715 501 K HN -0.065 nan 8.250 nan 0.000 0.439 502 S N 0.841 116.600 115.700 0.099 0.000 2.370 502 S HA -0.111 4.359 4.470 0.000 0.000 0.226 502 S C 1.841 176.431 174.600 -0.016 0.000 1.033 502 S CA 1.221 59.428 58.200 0.012 0.000 1.011 502 S CB -0.217 62.971 63.200 -0.021 0.000 0.852 502 S HN 0.363 nan 8.310 nan 0.000 0.457 503 R N 1.118 121.624 120.500 0.010 0.000 2.075 503 R HA 0.030 4.370 4.340 0.000 0.000 0.232 503 R C 2.631 178.919 176.300 -0.020 0.000 1.126 503 R CA 1.220 57.318 56.100 -0.003 0.000 0.963 503 R CB -0.514 29.805 30.300 0.032 0.000 0.858 503 R HN 0.408 nan 8.270 nan 0.000 0.435 504 A N 1.234 124.078 122.820 0.040 0.000 1.933 504 A HA -0.155 4.165 4.320 0.000 0.000 0.218 504 A C 2.077 179.449 177.584 -0.354 0.000 1.175 504 A CA 1.074 53.015 52.037 -0.159 0.000 0.628 504 A CB -0.368 18.614 19.000 -0.029 0.000 0.814 504 A HN 0.185 nan 8.150 nan 0.000 0.444 505 R N -0.666 119.694 120.500 -0.233 0.000 2.083 505 R HA -0.161 4.179 4.340 0.000 0.000 0.237 505 R C 2.493 178.670 176.300 -0.204 0.000 1.137 505 R CA 1.407 57.376 56.100 -0.218 0.000 0.951 505 R CB -0.495 29.724 30.300 -0.136 0.000 0.851 505 R HN 0.535 nan 8.270 nan 0.000 0.434 506 A N 0.411 123.132 122.820 -0.165 0.000 1.898 506 A HA -0.096 4.224 4.320 0.000 0.000 0.216 506 A C 2.355 179.830 177.584 -0.181 0.000 1.181 506 A CA 1.259 53.210 52.037 -0.142 0.000 0.620 506 A CB -0.456 18.481 19.000 -0.105 0.000 0.819 506 A HN 0.128 nan 8.150 nan 0.000 0.442 507 V N 0.164 119.926 119.914 -0.253 0.000 2.343 507 V HA -0.259 3.861 4.120 0.000 0.000 0.247 507 V C 2.652 178.515 176.094 -0.385 0.000 1.051 507 V CA 2.286 64.399 62.300 -0.310 0.000 1.036 507 V CB -0.815 30.758 31.823 -0.417 0.000 0.654 507 V HN 0.701 nan 8.190 nan 0.000 0.451 508 R N 0.426 120.617 120.500 -0.514 0.000 2.083 508 R HA -0.195 4.145 4.340 0.000 0.000 0.237 508 R C 2.299 178.488 176.300 -0.186 0.000 1.137 508 R CA 1.907 57.789 56.100 -0.365 0.000 0.951 508 R CB -0.527 29.583 30.300 -0.317 0.000 0.851 508 R HN 0.460 nan 8.270 nan 0.000 0.434 509 A N 0.163 122.884 122.820 -0.165 0.000 1.908 509 A HA -0.144 4.176 4.320 0.000 0.000 0.218 509 A C 2.238 179.774 177.584 -0.081 0.000 1.181 509 A CA 1.963 53.937 52.037 -0.105 0.000 0.627 509 A CB -0.606 18.337 19.000 -0.095 0.000 0.818 509 A HN 0.469 nan 8.150 nan 0.000 0.445 510 S N -0.206 115.441 115.700 -0.089 0.000 2.368 510 S HA -0.096 4.374 4.470 0.000 0.000 0.225 510 S C 1.833 176.414 174.600 -0.031 0.000 1.030 510 S CA 1.450 59.616 58.200 -0.056 0.000 0.999 510 S CB -0.446 62.721 63.200 -0.056 0.000 0.844 510 S HN 0.515 nan 8.310 nan 0.000 0.459 511 L N 0.884 122.082 121.223 -0.041 0.000 2.017 511 L HA -0.090 4.250 4.340 0.000 0.000 0.208 511 L C 2.224 179.095 176.870 0.003 0.000 1.073 511 L CA 1.171 56.012 54.840 0.003 0.000 0.745 511 L CB -0.557 41.500 42.059 -0.003 0.000 0.894 511 L HN 0.298 nan 8.230 nan 0.000 0.432 512 I N -0.044 120.515 120.570 -0.019 0.000 2.226 512 I HA -0.293 3.877 4.170 0.000 0.000 0.245 512 I C 2.738 178.851 176.117 -0.008 0.000 1.100 512 I CA 1.211 62.503 61.300 -0.013 0.000 1.374 512 I CB -0.422 37.561 38.000 -0.028 0.000 1.057 512 I HN 0.213 nan 8.210 nan 0.000 0.413 513 A N -0.307 122.504 122.820 -0.015 0.000 2.015 513 A HA -0.198 4.122 4.320 0.000 0.000 0.219 513 A C 2.225 179.809 177.584 0.000 0.000 1.163 513 A CA 1.174 53.205 52.037 -0.010 0.000 0.646 513 A CB -0.381 18.609 19.000 -0.017 0.000 0.806 513 A HN 0.413 nan 8.150 nan 0.000 0.448 514 Q N -0.911 118.894 119.800 0.008 0.000 2.369 514 Q HA 0.163 4.503 4.340 0.000 0.000 0.206 514 Q C 1.154 177.167 176.000 0.021 0.000 0.963 514 Q CA 0.745 56.559 55.803 0.019 0.000 0.894 514 Q CB -0.332 28.426 28.738 0.034 0.000 0.965 514 Q HN 0.833 nan 8.270 nan 0.000 0.475 515 G N -0.195 108.616 108.800 0.018 0.000 2.828 515 G HA2 -0.078 3.882 3.960 0.000 0.000 0.463 515 G HA3 -0.078 3.882 3.960 0.000 0.000 0.463 515 G C 0.189 175.102 174.900 0.023 0.000 1.394 515 G CA 0.168 45.278 45.100 0.017 0.000 0.862 515 G HN 0.824 nan 8.290 nan 0.000 0.540 516 A N -1.238 121.593 122.820 0.019 0.000 5.479 516 A HA -0.272 4.049 4.320 0.000 0.000 0.301 516 A C 2.051 179.646 177.584 0.019 0.000 1.961 516 A CA 2.847 54.895 52.037 0.019 0.000 0.716 516 A CB -1.385 17.629 19.000 0.022 0.000 1.266 516 A HN 1.911 nan 8.150 nan 0.000 0.372 517 R N -0.442 120.073 120.500 0.025 0.000 2.115 517 R HA 0.069 4.409 4.340 0.000 0.000 0.230 517 R C 2.564 178.892 176.300 0.046 0.000 1.111 517 R CA 1.557 57.671 56.100 0.024 0.000 0.976 517 R CB -0.512 29.809 30.300 0.034 0.000 0.870 517 R HN 0.922 nan 8.270 nan 0.000 0.445 518 A N 1.426 124.286 122.820 0.067 0.000 1.933 518 A HA -0.114 4.207 4.320 0.000 0.000 0.218 518 A C 2.354 179.972 177.584 0.056 0.000 1.175 518 A CA 1.709 53.801 52.037 0.092 0.000 0.628 518 A CB -0.429 18.628 19.000 0.095 0.000 0.814 518 A HN 0.369 nan 8.150 nan 0.000 0.444 519 A N -0.287 122.554 122.820 0.036 0.000 1.969 519 A HA 0.003 4.323 4.320 0.000 0.000 0.218 519 A C 2.051 179.655 177.584 0.033 0.000 1.169 519 A CA 1.324 53.376 52.037 0.026 0.000 0.635 519 A CB -0.536 18.476 19.000 0.020 0.000 0.810 519 A HN 0.487 nan 8.150 nan 0.000 0.445 520 I N -0.631 119.950 120.570 0.019 0.000 2.226 520 I HA -0.318 3.852 4.170 0.000 0.000 0.245 520 I C 2.431 178.539 176.117 -0.015 0.000 1.100 520 I CA 1.009 62.307 61.300 -0.003 0.000 1.374 520 I CB -0.411 37.512 38.000 -0.128 0.000 1.057 520 I HN 0.373 nan 8.210 nan 0.000 0.413 521 C N 0.756 120.040 119.300 -0.027 0.000 2.413 521 C HA -0.124 4.336 4.460 0.000 0.000 0.276 521 C C 2.993 177.956 174.990 -0.045 0.000 1.248 521 C CA 1.105 60.075 59.018 -0.080 0.000 1.742 521 C CB -1.792 25.910 27.740 -0.063 0.000 2.017 521 C HN 0.677 nan 8.230 nan 0.000 0.481 522 G N -0.028 108.786 108.800 0.024 0.000 2.421 522 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 522 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 522 G C 1.814 176.751 174.900 0.063 0.000 1.171 522 G CA 0.485 45.632 45.100 0.078 0.000 0.775 522 G HN 0.574 nan 8.290 nan 0.000 0.543 523 R N -1.227 119.293 120.500 0.034 0.000 2.075 523 R HA 0.012 4.352 4.340 0.000 0.000 0.232 523 R C 2.346 178.565 176.300 -0.134 0.000 1.126 523 R CA 1.192 57.278 56.100 -0.024 0.000 0.963 523 R CB -0.305 30.006 30.300 0.018 0.000 0.858 523 R HN 0.455 nan 8.270 nan 0.000 0.435 524 Y N 0.388 120.512 120.300 -0.294 0.000 2.230 524 Y HA 0.006 4.556 4.550 0.000 0.000 0.294 524 Y C 2.125 177.696 175.900 -0.550 0.000 1.120 524 Y CA 0.812 58.559 58.100 -0.587 0.000 1.129 524 Y CB -0.308 37.593 38.460 -0.932 0.000 1.040 524 Y HN -0.099 nan 8.280 nan 0.000 0.519 525 L N -1.763 119.283 121.223 -0.295 0.000 2.201 525 L HA -0.145 4.195 4.340 0.000 0.000 0.212 525 L C 0.617 177.197 176.870 -0.483 0.000 1.105 525 L CA 1.315 55.927 54.840 -0.380 0.000 0.775 525 L CB -0.345 41.305 42.059 -0.682 0.000 0.913 525 L HN 0.161 nan 8.230 nan 0.000 0.440 526 F N -1.746 118.119 119.950 -0.141 0.000 2.764 526 F HA 0.193 4.720 4.527 0.000 0.000 0.310 526 F C 1.626 177.107 175.800 -0.532 0.000 1.124 526 F CA -0.342 57.375 58.000 -0.472 0.000 1.252 526 F CB -0.634 38.099 39.000 -0.445 0.000 1.010 526 F HN -0.005 nan 8.300 nan 0.000 0.518 527 N N 1.093 119.704 118.700 -0.148 0.000 2.289 527 N HA -0.176 4.564 4.740 0.000 0.000 0.184 527 N C 1.945 177.430 175.510 -0.041 0.000 1.016 527 N CA 1.523 54.512 53.050 -0.100 0.000 0.872 527 N CB -0.063 38.383 38.487 -0.067 0.000 0.973 527 N HN 0.611 nan 8.380 nan 0.000 0.433 528 W N 0.232 121.574 121.300 0.070 0.000 2.425 528 W HA 0.054 4.714 4.660 0.000 0.000 0.277 528 W C 1.455 178.031 176.519 0.096 0.000 1.231 528 W CA 0.638 58.034 57.345 0.084 0.000 1.248 528 W CB -0.613 28.904 29.460 0.095 0.000 1.117 528 W HN -0.027 nan 8.180 nan 0.000 0.568 529 A N 1.462 123.925 122.820 -0.595 0.000 2.169 529 A HA 0.207 4.527 4.320 0.000 0.000 0.212 529 A C 1.060 178.522 177.584 -0.202 0.000 1.153 529 A CA 1.000 52.708 52.037 -0.547 0.000 0.756 529 A CB -0.827 17.564 19.000 -1.015 0.000 0.813 529 A HN 0.130 nan 8.150 nan 0.000 0.471 530 V N -3.045 116.781 119.914 -0.146 0.000 2.713 530 V HA 0.432 4.552 4.120 0.000 0.000 0.307 530 V C 1.069 177.144 176.094 -0.032 0.000 1.052 530 V CA -0.376 61.873 62.300 -0.086 0.000 0.967 530 V CB 1.596 33.362 31.823 -0.095 0.000 1.019 530 V HN 0.342 nan 8.190 nan 0.000 0.459 531 K N 1.333 121.718 120.400 -0.025 0.000 2.031 531 K HA 0.001 4.321 4.320 0.000 0.000 0.205 531 K C 0.733 177.324 176.600 -0.014 0.000 1.049 531 K CA 1.532 57.812 56.287 -0.011 0.000 0.939 531 K CB -0.115 32.378 32.500 -0.011 0.000 0.717 531 K HN 0.844 nan 8.250 nan 0.000 0.438 532 T N 2.636 117.175 114.554 -0.024 0.000 2.891 532 T HA 0.206 4.556 4.350 0.000 0.000 0.315 532 T C -0.718 173.964 174.700 -0.031 0.000 1.054 532 T CA -0.406 61.679 62.100 -0.024 0.000 0.958 532 T CB 1.039 69.891 68.868 -0.026 0.000 1.008 532 T HN 0.028 nan 8.240 nan 0.000 0.521 533 K N 2.931 123.317 120.400 -0.024 0.000 2.412 533 K HA 0.268 4.588 4.320 0.000 0.000 0.281 533 K C 0.223 176.796 176.600 -0.045 0.000 1.027 533 K CA -0.151 56.117 56.287 -0.030 0.000 0.989 533 K CB 0.296 32.790 32.500 -0.009 0.000 0.935 533 K HN 0.508 nan 8.250 nan 0.000 0.475 534 L N 2.636 123.817 121.223 -0.071 0.000 2.439 534 L HA 0.164 4.505 4.340 0.000 0.000 0.269 534 L C 0.486 177.300 176.870 -0.094 0.000 1.179 534 L CA -0.569 54.218 54.840 -0.088 0.000 0.828 534 L CB 0.468 42.451 42.059 -0.126 0.000 1.106 534 L HN 0.363 nan 8.230 nan 0.000 0.467 535 K N 2.937 123.290 120.400 -0.078 0.000 2.273 535 K HA 0.263 4.583 4.320 0.000 0.000 0.287 535 K C -0.891 175.644 176.600 -0.108 0.000 1.089 535 K CA -0.398 55.849 56.287 -0.067 0.000 0.909 535 K CB 0.069 32.550 32.500 -0.033 0.000 1.123 535 K HN 0.207 nan 8.250 nan 0.000 0.473 536 L N 4.053 125.185 121.223 -0.152 0.000 2.360 536 L HA 0.270 4.610 4.340 0.000 0.000 0.276 536 L C 0.593 177.440 176.870 -0.039 0.000 1.121 536 L CA 0.230 54.914 54.840 -0.260 0.000 0.845 536 L CB 0.427 42.261 42.059 -0.375 0.000 1.143 536 L HN 0.755 nan 8.230 nan 0.000 0.452 537 T N 2.001 116.588 114.554 0.055 0.000 2.929 537 T HA 0.665 5.015 4.350 0.000 0.000 0.284 537 T C -2.540 172.298 174.700 0.229 0.000 1.014 537 T CA -2.199 59.977 62.100 0.127 0.000 1.051 537 T CB 1.316 70.243 68.868 0.099 0.000 1.028 537 T HN 0.275 nan 8.240 nan 0.000 0.485 538 P HA 0.202 nan 4.420 nan 0.000 0.265 538 P C -0.601 176.770 177.300 0.117 0.000 1.193 538 P CA -0.289 62.904 63.100 0.156 0.000 0.765 538 P CB 0.259 32.016 31.700 0.095 0.000 0.823 539 L N 6.502 127.770 121.223 0.074 0.000 2.313 539 L HA 0.170 4.510 4.340 0.000 0.000 0.282 539 L C -1.135 175.730 176.870 -0.010 0.000 1.092 539 L CA -1.529 53.294 54.840 -0.028 0.000 0.831 539 L CB 0.802 42.774 42.059 -0.145 0.000 1.159 539 L HN 0.339 nan 8.230 nan 0.000 0.442 540 P HA -0.234 nan 4.420 nan 0.000 0.216 540 P C 1.259 178.549 177.300 -0.017 0.000 1.150 540 P CA 1.166 64.262 63.100 -0.007 0.000 0.843 540 P CB 0.136 31.832 31.700 -0.007 0.000 0.787 541 E N -0.112 120.070 120.200 -0.030 0.000 2.204 541 E HA -0.140 4.211 4.350 0.000 0.000 0.194 541 E C 1.871 178.448 176.600 -0.038 0.000 0.989 541 E CA 1.068 57.447 56.400 -0.034 0.000 0.824 541 E CB -0.808 28.868 29.700 -0.039 0.000 0.756 541 E HN 0.103 nan 8.360 nan 0.000 0.477 542 A N 2.085 124.886 122.820 -0.032 0.000 1.883 542 A HA -0.225 4.095 4.320 0.000 0.000 0.217 542 A C 2.459 180.020 177.584 -0.038 0.000 1.186 542 A CA 2.235 54.254 52.037 -0.030 0.000 0.624 542 A CB -0.835 18.166 19.000 0.001 0.000 0.822 542 A HN 0.479 nan 8.150 nan 0.000 0.444 543 S N -0.847 114.839 115.700 -0.023 0.000 2.522 543 S HA 0.006 4.476 4.470 0.000 0.000 0.227 543 S C 1.609 176.190 174.600 -0.032 0.000 0.986 543 S CA 0.722 58.908 58.200 -0.023 0.000 0.929 543 S CB -0.206 62.989 63.200 -0.009 0.000 0.769 543 S HN 0.624 nan 8.310 nan 0.000 0.529 544 R N 0.189 120.668 120.500 -0.036 0.000 2.290 544 R HA 0.374 4.714 4.340 0.000 0.000 0.197 544 R C -0.023 176.243 176.300 -0.057 0.000 0.913 544 R CA -0.190 55.887 56.100 -0.038 0.000 1.040 544 R CB -0.124 30.159 30.300 -0.029 0.000 0.992 544 R HN 0.364 nan 8.270 nan 0.000 0.500 545 L N 2.414 123.589 121.223 -0.080 0.000 2.540 545 L HA -0.051 4.290 4.340 0.000 0.000 0.276 545 L C 0.357 177.145 176.870 -0.137 0.000 1.212 545 L CA 0.112 54.881 54.840 -0.118 0.000 0.893 545 L CB 0.220 42.177 42.059 -0.170 0.000 1.138 545 L HN -0.045 nan 8.230 nan 0.000 0.491 546 D N 4.942 125.266 120.400 -0.128 0.000 2.483 546 D HA 0.142 4.782 4.640 0.000 0.000 0.220 546 D C 0.267 176.441 176.300 -0.211 0.000 1.173 546 D CA -0.008 53.920 54.000 -0.120 0.000 0.964 546 D CB 0.379 41.141 40.800 -0.063 0.000 1.046 546 D HN 0.349 nan 8.370 nan 0.000 0.517 547 L N 2.129 123.171 121.223 -0.302 0.000 2.928 547 L HA 0.156 4.496 4.340 0.000 0.000 0.236 547 L C 0.830 177.570 176.870 -0.217 0.000 1.290 547 L CA -0.331 54.180 54.840 -0.549 0.000 1.099 547 L CB -0.070 41.572 42.059 -0.695 0.000 1.437 547 L HN 0.123 nan 8.230 nan 0.000 0.493 548 S N 0.924 116.570 115.700 -0.090 0.000 2.506 548 S HA 0.285 4.755 4.470 0.000 0.000 0.291 548 S C 1.187 175.795 174.600 0.014 0.000 1.230 548 S CA 0.807 58.997 58.200 -0.016 0.000 1.107 548 S CB 0.250 63.445 63.200 -0.010 0.000 0.942 548 S HN 0.797 nan 8.310 nan 0.000 0.502 549 G N 4.014 112.818 108.800 0.007 0.000 2.141 549 G HA2 -0.229 3.731 3.960 0.000 0.000 0.242 549 G HA3 -0.229 3.731 3.960 0.000 0.000 0.242 549 G C 0.597 175.342 174.900 -0.257 0.000 0.982 549 G CA 0.139 45.175 45.100 -0.105 0.000 0.662 549 G HN 0.710 nan 8.290 nan 0.000 0.527 550 W N -0.074 121.034 121.300 -0.321 0.000 2.388 550 W HA 0.406 5.066 4.660 0.000 0.000 0.294 550 W C 1.037 177.280 176.519 -0.460 0.000 1.212 550 W CA 1.106 58.232 57.345 -0.366 0.000 1.271 550 W CB -0.206 28.946 29.460 -0.513 0.000 1.126 550 W HN 0.247 nan 8.180 nan 0.000 0.535 551 F N 0.433 120.574 119.950 0.318 0.000 2.449 551 F HA 0.275 4.802 4.527 0.000 0.000 0.344 551 F C 0.830 176.701 175.800 0.117 0.000 1.180 551 F CA -0.215 57.929 58.000 0.239 0.000 1.209 551 F CB 0.169 39.295 39.000 0.211 0.000 1.440 551 F HN -0.230 nan 8.300 nan 0.000 0.526 552 T N -2.952 111.726 114.554 0.207 0.000 3.254 552 T HA 0.420 4.770 4.350 0.000 0.000 0.267 552 T C -0.088 174.694 174.700 0.136 0.000 0.946 552 T CA -0.047 62.138 62.100 0.141 0.000 0.991 552 T CB 0.585 69.493 68.868 0.067 0.000 1.205 552 T HN -0.023 nan 8.240 nan 0.000 0.494 553 V N 1.096 121.071 119.914 0.101 0.000 2.789 553 V HA 0.739 4.859 4.120 0.000 0.000 0.300 553 V C -0.010 176.039 176.094 -0.076 0.000 1.184 553 V CA -0.531 61.780 62.300 0.018 0.000 0.930 553 V CB 1.661 33.493 31.823 0.015 0.000 1.041 553 V HN 0.742 nan 8.190 nan 0.000 0.430 554 G N 2.486 111.099 108.800 -0.312 0.000 2.509 554 G HA2 0.930 4.890 3.960 0.000 0.000 0.328 554 G HA3 0.930 4.890 3.960 0.000 0.000 0.328 554 G C -0.727 173.968 174.900 -0.343 0.000 1.194 554 G CA -0.126 44.735 45.100 -0.399 0.000 0.967 554 G HN 1.274 nan 8.290 nan 0.000 0.488 555 A N -0.896 121.774 122.820 -0.251 0.000 2.539 555 A HA 0.837 5.157 4.320 0.000 0.000 0.296 555 A C 0.254 177.771 177.584 -0.112 0.000 1.073 555 A CA -0.053 51.866 52.037 -0.198 0.000 0.700 555 A CB 1.281 20.301 19.000 0.033 0.000 1.296 555 A HN 1.695 nan 8.150 nan 0.000 0.405 556 G N -0.392 108.370 108.800 -0.064 0.000 2.353 556 G HA2 0.506 4.467 3.960 0.000 0.000 0.239 556 G HA3 0.506 4.467 3.960 0.000 0.000 0.239 556 G C 1.237 176.144 174.900 0.010 0.000 1.295 556 G CA 0.705 45.804 45.100 -0.001 0.000 0.884 556 G HN 2.447 nan 8.290 nan 0.000 0.537 557 G N 0.546 109.351 108.800 0.008 0.000 2.187 557 G HA2 0.140 4.100 3.960 0.000 0.000 0.261 557 G HA3 0.140 4.100 3.960 0.000 0.000 0.261 557 G C 1.456 176.328 174.900 -0.046 0.000 1.000 557 G CA 1.025 46.113 45.100 -0.019 0.000 0.718 557 G HN 2.563 nan 8.290 nan 0.000 0.519 558 G N -0.510 108.261 108.800 -0.050 0.000 2.283 558 G HA2 -0.248 3.712 3.960 0.000 0.000 0.280 558 G HA3 -0.248 3.712 3.960 0.000 0.000 0.280 558 G C 0.271 175.117 174.900 -0.090 0.000 1.029 558 G CA 1.102 46.153 45.100 -0.082 0.000 0.840 558 G HN 1.262 nan 8.290 nan 0.000 0.505 559 D N -0.386 119.986 120.400 -0.046 0.000 2.994 559 D HA 0.483 5.124 4.640 0.000 0.000 0.240 559 D C 0.190 176.490 176.300 -0.001 0.000 1.195 559 D CA -0.205 53.778 54.000 -0.029 0.000 0.957 559 D CB -0.296 40.507 40.800 0.004 0.000 1.105 559 D HN 0.443 nan 8.370 nan 0.000 0.477 560 I N 1.066 121.592 120.570 -0.072 0.000 2.775 560 I HA 0.392 4.562 4.170 0.000 0.000 0.295 560 I C -2.218 173.740 176.117 -0.264 0.000 1.287 560 I CA -0.973 60.274 61.300 -0.088 0.000 1.029 560 I CB 1.583 39.600 38.000 0.028 0.000 1.282 560 I HN -0.100 nan 8.210 nan 0.000 0.426 561 Y N 6.016 126.076 120.300 -0.400 0.000 2.425 561 Y HA 0.596 5.146 4.550 0.000 0.000 0.344 561 Y C -1.160 174.499 175.900 -0.402 0.000 0.969 561 Y CA -0.458 57.354 58.100 -0.481 0.000 1.052 561 Y CB 1.424 39.709 38.460 -0.291 0.000 1.215 561 Y HN 0.613 nan 8.280 nan 0.000 0.451 562 H N 3.773 122.274 119.070 -0.948 0.000 2.504 562 H HA 0.612 5.168 4.556 0.000 0.000 0.322 562 H C -0.152 174.732 175.328 -0.740 0.000 1.055 562 H CA -0.171 55.455 56.048 -0.703 0.000 1.231 562 H CB 1.513 30.844 29.762 -0.720 0.000 1.417 562 H HN 0.780 nan 8.280 nan 0.000 0.472 563 S N 0.000 115.568 115.700 -0.220 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.145 58.200 -0.092 0.000 1.107 563 S CB 0.000 63.131 63.200 -0.116 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517