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 1mc1_1_A DATA FIRST_RESID 5 DATA SEQUENCE VLPAAFGFLA SARXXXXXXX GPVFATRGSH TDIDTPQGER SLAATLVHAP DATA SEQUENCE SVAPDRAVAR SLTGAPTTAV LAGEIYNRDE LLSVLPAGPA PEGDAELVLR DATA SEQUENCE LLERYDLHAF RLVNGRFATV VRTGDRVLLA TDHAGSVPLY TCVAPGEVRA DATA SEQUENCE STEAKALAAX XXXXGFPLAD ARRVAGLTGV YQVPAGAVMD IDLGSGTAVT DATA SEQUENCE HRTWTPGLSR RILPEGEAVA AVRAALEKAV AQRVTPGDTP LVVLSGGIDS DATA SEQUENCE SGVAACAHRA AGELDTVSMG TDTSNEFREA RAVVDHLRTR HREITIPTTE DATA SEQUENCE LLAQLPYAVW ASESVDPDII EYLLPLTALY RALDGPERRI LTGYGADIPL DATA SEQUENCE GGMHREDRLP ALDTVLAHDM ATFDGLNEMS PVLSTLAGHW TTHPYWDREV DATA SEQUENCE LDLLVSLEAG LKRRHGRDKW VLRAAMADAL PAETVNRPKL GVHEGSGTTS DATA SEQUENCE SFSRLLLDHG VAEDRVHEAK RQVVRELFDL TVGGGRHPSE VDTDDVVRSV DATA SEQUENCE ADR 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.110 176.094 0.026 0.000 1.182 5 V CA 0.000 62.321 62.300 0.034 0.000 1.235 5 V CB 0.000 31.858 31.823 0.058 0.000 1.184 6 L N 3.080 124.286 121.223 -0.029 0.000 2.333 6 L HA 0.608 4.948 4.340 -0.000 0.000 0.269 6 L C -2.292 174.411 176.870 -0.277 0.000 1.010 6 L CA -1.793 52.979 54.840 -0.112 0.000 0.818 6 L CB 1.745 43.807 42.059 0.004 0.000 1.306 6 L HN 0.108 nan 8.230 nan 0.000 0.430 7 P HA 0.003 nan 4.420 nan 0.000 0.269 7 P C 0.154 177.203 177.300 -0.418 0.000 1.217 7 P CA -0.233 62.562 63.100 -0.509 0.000 0.783 7 P CB 0.923 32.138 31.700 -0.809 0.000 0.898 8 A N 1.454 124.086 122.820 -0.313 0.000 2.019 8 A HA 0.224 4.544 4.320 -0.000 0.000 0.219 8 A C 1.123 178.516 177.584 -0.319 0.000 1.164 8 A CA 1.712 53.578 52.037 -0.284 0.000 0.644 8 A CB -0.688 18.184 19.000 -0.214 0.000 0.805 8 A HN 0.839 nan 8.150 nan 0.000 0.449 9 A N -2.892 119.747 122.820 -0.302 0.000 2.589 9 A HA 0.631 4.951 4.320 -0.000 0.000 0.296 9 A C -0.202 177.282 177.584 -0.167 0.000 1.062 9 A CA -0.571 51.330 52.037 -0.227 0.000 0.686 9 A CB 0.180 19.154 19.000 -0.044 0.000 1.282 9 A HN 0.092 nan 8.150 nan 0.000 0.404 10 F N 1.045 120.986 119.950 -0.015 0.000 2.446 10 F HA 0.444 4.971 4.527 -0.000 0.000 0.292 10 F C 1.609 177.367 175.800 -0.071 0.000 1.096 10 F CA 0.650 58.651 58.000 0.001 0.000 1.438 10 F CB 0.075 39.097 39.000 0.036 0.000 1.107 10 F HN 0.917 nan 8.300 nan 0.000 0.546 11 G N -1.228 107.575 108.800 0.005 0.000 2.561 11 G HA2 0.516 4.476 3.960 -0.000 0.000 0.310 11 G HA3 0.516 4.476 3.960 -0.000 0.000 0.310 11 G C -1.886 172.859 174.900 -0.257 0.000 1.292 11 G CA -0.299 44.612 45.100 -0.315 0.000 0.811 11 G HN 0.039 nan 8.290 nan 0.000 0.482 12 F N -2.453 117.316 119.950 -0.301 0.000 2.842 12 F HA 0.779 5.306 4.527 -0.000 0.000 0.319 12 F C -2.324 173.503 175.800 0.045 0.000 1.159 12 F CA -1.487 56.432 58.000 -0.136 0.000 0.902 12 F CB 1.394 40.377 39.000 -0.029 0.000 1.311 12 F HN 0.791 nan 8.300 nan 0.000 0.453 13 L N 2.190 123.764 121.223 0.585 0.000 2.404 13 L HA 0.972 5.312 4.340 -0.000 0.000 0.272 13 L C -1.155 175.919 176.870 0.340 0.000 0.980 13 L CA -0.654 54.481 54.840 0.491 0.000 0.836 13 L CB 1.124 43.444 42.059 0.436 0.000 1.238 13 L HN 1.328 nan 8.230 nan 0.000 0.408 14 A N 3.082 126.075 122.820 0.289 0.000 2.469 14 A HA 0.988 5.308 4.320 -0.000 0.000 0.299 14 A C -1.010 176.634 177.584 0.100 0.000 1.098 14 A CA -0.001 52.109 52.037 0.123 0.000 0.737 14 A CB 1.849 20.840 19.000 -0.015 0.000 1.312 14 A HN 1.023 nan 8.150 nan 0.000 0.414 15 S N -0.557 115.176 115.700 0.054 0.000 2.536 15 S HA 0.813 5.282 4.470 -0.000 0.000 0.271 15 S C -0.722 173.892 174.600 0.023 0.000 1.134 15 S CA -0.067 58.161 58.200 0.047 0.000 0.897 15 S CB 1.527 64.758 63.200 0.051 0.000 1.094 15 S HN 2.197 nan 8.310 nan 0.000 0.473 16 A N 2.168 124.999 122.820 0.019 0.000 2.330 16 A HA 0.947 5.267 4.320 -0.000 0.000 0.313 16 A C -0.155 177.433 177.584 0.007 0.000 1.124 16 A CA -0.735 51.306 52.037 0.006 0.000 0.774 16 A CB 1.242 20.241 19.000 -0.001 0.000 1.198 16 A HN 1.076 nan 8.150 nan 0.000 0.465 26 P HA 0.441 nan 4.420 nan 0.000 0.268 26 P C -0.367 176.717 177.300 -0.361 0.000 1.204 26 P CA -0.142 62.767 63.100 -0.318 0.000 0.768 26 P CB 1.585 33.067 31.700 -0.364 0.000 0.842 27 V N 4.122 123.718 119.914 -0.530 0.000 2.482 27 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 27 V C -0.507 175.353 176.094 -0.390 0.000 1.026 27 V CA -0.479 61.647 62.300 -0.290 0.000 0.856 27 V CB 0.719 32.494 31.823 -0.079 0.000 1.001 27 V HN 0.344 nan 8.190 nan 0.000 0.424 28 F N 1.465 121.484 119.950 0.115 0.000 2.575 28 F HA 0.762 5.289 4.527 -0.000 0.000 0.330 28 F C 1.202 176.943 175.800 -0.099 0.000 1.056 28 F CA -0.592 57.394 58.000 -0.024 0.000 0.964 28 F CB 1.881 40.878 39.000 -0.005 0.000 1.258 28 F HN 0.461 nan 8.300 nan 0.000 0.484 29 A N -0.239 122.440 122.820 -0.236 0.000 2.021 29 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 29 A C 0.944 178.428 177.584 -0.166 0.000 1.163 29 A CA 0.668 52.220 52.037 -0.808 0.000 0.676 29 A CB -0.897 17.244 19.000 -1.431 0.000 0.818 29 A HN 0.662 nan 8.150 nan 0.000 0.453 30 T N 1.049 115.578 114.554 -0.042 0.000 2.928 30 T HA 0.266 4.616 4.350 -0.000 0.000 0.305 30 T C 0.259 175.059 174.700 0.167 0.000 1.035 30 T CA 0.028 62.144 62.100 0.028 0.000 1.145 30 T CB 0.446 69.311 68.868 -0.005 0.000 0.963 30 T HN 0.451 nan 8.240 nan 0.000 0.545 31 R N 1.292 121.878 120.500 0.143 0.000 2.368 31 R HA 0.623 4.963 4.340 -0.000 0.000 0.302 31 R C 0.209 176.634 176.300 0.208 0.000 1.002 31 R CA -0.067 56.135 56.100 0.170 0.000 0.929 31 R CB 0.613 30.985 30.300 0.119 0.000 1.073 31 R HN 0.916 nan 8.270 nan 0.000 0.464 32 G N 1.025 109.926 108.800 0.167 0.000 2.356 32 G HA2 0.004 3.964 3.960 -0.000 0.000 0.288 32 G HA3 0.004 3.964 3.960 -0.000 0.000 0.288 32 G C -1.442 173.470 174.900 0.020 0.000 1.302 32 G CA -0.867 44.299 45.100 0.111 0.000 0.887 32 G HN 0.566 nan 8.290 nan 0.000 0.521 33 S N -0.447 115.146 115.700 -0.178 0.000 2.614 33 S HA 0.584 5.054 4.470 -0.000 0.000 0.265 33 S C -0.328 174.209 174.600 -0.104 0.000 1.303 33 S CA -0.230 57.831 58.200 -0.232 0.000 1.000 33 S CB 0.599 63.568 63.200 -0.384 0.000 0.935 33 S HN 0.528 nan 8.310 nan 0.000 0.551 34 H N 0.024 119.025 119.070 -0.115 0.000 2.538 34 H HA 0.471 5.027 4.556 -0.000 0.000 0.353 34 H C -0.834 174.561 175.328 0.112 0.000 1.109 34 H CA -0.663 55.408 56.048 0.037 0.000 1.192 34 H CB 1.724 31.538 29.762 0.088 0.000 1.555 34 H HN 0.426 nan 8.280 nan 0.000 0.518 35 T N 3.041 117.769 114.554 0.290 0.000 2.937 35 T HA 0.094 4.444 4.350 -0.000 0.000 0.297 35 T C -0.836 173.951 174.700 0.145 0.000 0.991 35 T CA -0.889 61.347 62.100 0.225 0.000 0.990 35 T CB 1.446 70.466 68.868 0.254 0.000 0.991 35 T HN 0.479 nan 8.240 nan 0.000 0.440 36 D N 3.036 123.500 120.400 0.108 0.000 2.264 36 D HA 0.348 4.988 4.640 -0.000 0.000 0.250 36 D C 0.785 177.112 176.300 0.044 0.000 1.113 36 D CA -0.522 53.522 54.000 0.075 0.000 0.871 36 D CB 0.823 41.663 40.800 0.067 0.000 1.167 36 D HN 0.580 nan 8.370 nan 0.000 0.447 37 I N -1.220 119.365 120.570 0.025 0.000 2.720 37 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 37 I C 0.027 176.145 176.117 0.002 0.000 1.090 37 I CA -0.748 60.553 61.300 0.001 0.000 1.384 37 I CB 0.708 38.695 38.000 -0.021 0.000 1.420 37 I HN -0.004 nan 8.210 nan 0.000 0.575 38 D N 3.290 123.687 120.400 -0.005 0.000 2.382 38 D HA 0.148 4.788 4.640 -0.000 0.000 0.240 38 D C 0.297 176.593 176.300 -0.007 0.000 1.146 38 D CA 0.208 54.206 54.000 -0.004 0.000 0.897 38 D CB 1.015 41.811 40.800 -0.008 0.000 1.197 38 D HN 0.732 nan 8.370 nan 0.000 0.432 39 T N -1.222 113.330 114.554 -0.003 0.000 3.378 39 T HA 0.367 4.717 4.350 -0.000 0.000 0.359 39 T C -2.057 172.640 174.700 -0.005 0.000 1.815 39 T CA -1.652 60.446 62.100 -0.004 0.000 1.509 39 T CB 1.055 69.923 68.868 0.000 0.000 1.049 39 T HN -0.027 nan 8.240 nan 0.000 0.705 40 P HA -0.215 nan 4.420 nan 0.000 0.206 40 P C 1.159 178.455 177.300 -0.006 0.000 1.142 40 P CA 1.277 64.372 63.100 -0.008 0.000 0.946 40 P CB 0.036 31.729 31.700 -0.011 0.000 0.777 41 Q N 0.467 120.262 119.800 -0.007 0.000 3.141 41 Q HA 0.118 4.458 4.340 -0.000 0.000 0.304 41 Q C 1.387 177.385 176.000 -0.004 0.000 1.305 41 Q CA 0.700 56.500 55.803 -0.005 0.000 0.929 41 Q CB -1.338 27.396 28.738 -0.006 0.000 1.701 41 Q HN 0.332 nan 8.270 nan 0.000 0.483 42 G N 2.475 111.274 108.800 -0.002 0.000 5.415 42 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.225 42 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.225 42 G C 1.047 175.948 174.900 0.002 0.000 1.015 42 G CA 1.928 47.028 45.100 0.000 0.000 0.544 42 G HN 0.766 nan 8.290 nan 0.000 0.911 43 E N -1.863 118.337 120.200 0.000 0.000 2.870 43 E HA 0.192 4.542 4.350 -0.000 0.000 0.185 43 E C 1.852 178.453 176.600 0.001 0.000 1.084 43 E CA -0.617 55.784 56.400 0.002 0.000 1.246 43 E CB 0.045 29.747 29.700 0.003 0.000 1.382 43 E HN 0.247 nan 8.360 nan 0.000 0.492 44 R N 1.373 121.872 120.500 -0.001 0.000 2.555 44 R HA 0.322 4.662 4.340 -0.000 0.000 0.272 44 R C 0.152 176.449 176.300 -0.005 0.000 1.089 44 R CA -0.113 55.986 56.100 -0.002 0.000 1.126 44 R CB 0.522 30.820 30.300 -0.003 0.000 1.250 44 R HN 0.045 nan 8.270 nan 0.000 0.551 45 S N 0.373 116.070 115.700 -0.005 0.000 2.758 45 S HA 0.408 4.878 4.470 -0.000 0.000 0.292 45 S C -0.818 173.776 174.600 -0.010 0.000 1.131 45 S CA -0.769 57.426 58.200 -0.009 0.000 0.997 45 S CB 0.909 64.104 63.200 -0.009 0.000 1.111 45 S HN 0.179 nan 8.310 nan 0.000 0.552 46 L N 2.910 124.123 121.223 -0.018 0.000 2.255 46 L HA 0.731 5.071 4.340 -0.000 0.000 0.289 46 L C -0.064 176.792 176.870 -0.023 0.000 1.046 46 L CA -0.112 54.713 54.840 -0.025 0.000 0.816 46 L CB 0.214 42.247 42.059 -0.043 0.000 1.197 46 L HN 0.655 nan 8.230 nan 0.000 0.427 47 A N 4.522 127.337 122.820 -0.009 0.000 2.316 47 A HA 0.926 5.246 4.320 -0.000 0.000 0.284 47 A C -0.283 177.303 177.584 0.003 0.000 1.115 47 A CA 0.201 52.240 52.037 0.002 0.000 0.812 47 A CB 0.718 19.727 19.000 0.016 0.000 1.064 47 A HN 1.301 nan 8.150 nan 0.000 0.489 48 A N 1.033 123.860 122.820 0.012 0.000 2.594 48 A HA 0.704 5.024 4.320 -0.000 0.000 0.296 48 A C -0.552 177.071 177.584 0.064 0.000 1.061 48 A CA -0.407 51.647 52.037 0.029 0.000 0.689 48 A CB 0.954 19.924 19.000 -0.050 0.000 1.280 48 A HN 0.891 nan 8.150 nan 0.000 0.406 49 T N 2.076 116.703 114.554 0.121 0.000 2.791 49 T HA 0.555 4.905 4.350 -0.000 0.000 0.288 49 T C -0.799 173.999 174.700 0.164 0.000 0.999 49 T CA -0.191 61.987 62.100 0.129 0.000 0.952 49 T CB 0.502 69.443 68.868 0.122 0.000 0.938 49 T HN 0.402 nan 8.240 nan 0.000 0.444 50 L N 3.439 124.747 121.223 0.141 0.000 2.307 50 L HA 0.612 4.952 4.340 -0.000 0.000 0.282 50 L C -0.007 176.951 176.870 0.146 0.000 1.051 50 L CA -0.548 54.392 54.840 0.166 0.000 0.804 50 L CB 1.578 43.730 42.059 0.155 0.000 1.197 50 L HN 0.399 nan 8.230 nan 0.000 0.431 51 V N 4.366 124.305 119.914 0.042 0.000 2.417 51 V HA 0.691 4.810 4.120 -0.000 0.000 0.291 51 V C -0.778 175.340 176.094 0.040 0.000 1.024 51 V CA -0.082 62.226 62.300 0.014 0.000 0.861 51 V CB 0.977 32.762 31.823 -0.064 0.000 0.985 51 V HN 1.052 nan 8.190 nan 0.000 0.436 52 H N 4.104 123.145 119.070 -0.049 0.000 2.933 52 H HA 0.857 5.413 4.556 -0.000 0.000 0.310 52 H C -0.329 174.832 175.328 -0.277 0.000 1.351 52 H CA -0.438 55.379 56.048 -0.386 0.000 1.137 52 H CB 1.297 30.852 29.762 -0.344 0.000 1.853 52 H HN 0.793 nan 8.280 nan 0.000 0.539 53 A N 0.784 123.371 122.820 -0.387 0.000 2.462 53 A HA 0.299 4.619 4.320 -0.000 0.000 0.243 53 A C -1.671 175.924 177.584 0.018 0.000 1.076 53 A CA -1.153 50.836 52.037 -0.080 0.000 0.773 53 A CB -0.311 18.662 19.000 -0.044 0.000 1.010 53 A HN 0.749 nan 8.150 nan 0.000 0.493 54 P HA -0.121 nan 4.420 nan 0.000 0.222 54 P C 1.316 178.650 177.300 0.056 0.000 1.147 54 P CA 1.802 64.919 63.100 0.029 0.000 0.790 54 P CB 0.187 31.898 31.700 0.019 0.000 0.780 55 S N -2.480 113.248 115.700 0.047 0.000 2.593 55 S HA 0.113 4.583 4.470 -0.000 0.000 0.217 55 S C 0.624 175.232 174.600 0.013 0.000 0.966 55 S CA -0.219 58.000 58.200 0.032 0.000 0.914 55 S CB -0.640 62.581 63.200 0.035 0.000 0.776 55 S HN -0.043 nan 8.310 nan 0.000 0.523 56 V N 0.970 120.892 119.914 0.014 0.000 2.919 56 V HA 0.824 4.944 4.120 -0.000 0.000 0.316 56 V C -0.553 175.488 176.094 -0.088 0.000 1.077 56 V CA -0.879 61.389 62.300 -0.053 0.000 0.977 56 V CB 1.739 33.485 31.823 -0.128 0.000 1.039 56 V HN 0.459 nan 8.190 nan 0.000 0.441 57 A N 5.646 128.380 122.820 -0.144 0.000 2.274 57 A HA 0.698 5.018 4.320 -0.000 0.000 0.309 57 A C -1.944 175.458 177.584 -0.304 0.000 1.226 57 A CA -1.436 50.488 52.037 -0.187 0.000 0.853 57 A CB 0.877 19.806 19.000 -0.119 0.000 1.146 57 A HN 0.741 nan 8.150 nan 0.000 0.518 58 P HA -0.134 nan 4.420 nan 0.000 0.222 58 P C 0.717 177.871 177.300 -0.244 0.000 1.147 58 P CA 0.954 63.773 63.100 -0.467 0.000 0.790 58 P CB 0.190 31.579 31.700 -0.517 0.000 0.780 59 D N 0.176 120.467 120.400 -0.182 0.000 2.204 59 D HA -0.244 4.396 4.640 -0.000 0.000 0.189 59 D C 1.792 178.024 176.300 -0.114 0.000 1.006 59 D CA 1.487 55.413 54.000 -0.123 0.000 0.855 59 D CB -0.476 40.265 40.800 -0.099 0.000 0.946 59 D HN 0.229 nan 8.370 nan 0.000 0.448 60 R N 0.359 120.785 120.500 -0.123 0.000 2.241 60 R HA -0.013 4.327 4.340 -0.000 0.000 0.224 60 R C 1.987 178.220 176.300 -0.112 0.000 1.101 60 R CA 0.887 56.920 56.100 -0.111 0.000 0.995 60 R CB -0.048 30.182 30.300 -0.117 0.000 0.870 60 R HN 0.129 nan 8.270 nan 0.000 0.463 61 A N -0.059 122.686 122.820 -0.125 0.000 2.238 61 A HA 0.161 4.481 4.320 -0.000 0.000 0.210 61 A C 0.274 177.807 177.584 -0.085 0.000 1.179 61 A CA 0.123 52.099 52.037 -0.100 0.000 0.827 61 A CB 0.684 19.620 19.000 -0.107 0.000 0.856 61 A HN 0.011 nan 8.150 nan 0.000 0.488 62 V N -0.249 119.611 119.914 -0.091 0.000 2.656 62 V HA 0.758 4.878 4.120 -0.000 0.000 0.307 62 V C -0.154 175.898 176.094 -0.071 0.000 1.051 62 V CA -0.260 61.990 62.300 -0.082 0.000 0.893 62 V CB 1.326 33.101 31.823 -0.080 0.000 0.999 62 V HN 0.464 nan 8.190 nan 0.000 0.426 63 A N 4.962 127.744 122.820 -0.063 0.000 2.486 63 A HA 0.940 5.260 4.320 -0.000 0.000 0.300 63 A C -0.692 176.864 177.584 -0.046 0.000 1.048 63 A CA -0.866 51.140 52.037 -0.053 0.000 0.696 63 A CB 1.825 20.794 19.000 -0.052 0.000 1.278 63 A HN 0.833 nan 8.150 nan 0.000 0.405 64 R N 0.431 120.907 120.500 -0.040 0.000 2.892 64 R HA 0.917 5.257 4.340 -0.000 0.000 0.265 64 R C -0.518 175.764 176.300 -0.029 0.000 1.025 64 R CA -0.701 55.379 56.100 -0.033 0.000 0.982 64 R CB 2.099 32.380 30.300 -0.031 0.000 1.185 64 R HN 0.824 nan 8.270 nan 0.000 0.484 65 S N -0.080 115.605 115.700 -0.025 0.000 2.615 65 S HA 0.355 4.824 4.470 -0.000 0.000 0.268 65 S C -1.019 173.570 174.600 -0.019 0.000 1.146 65 S CA -0.725 57.462 58.200 -0.022 0.000 0.818 65 S CB 1.269 64.455 63.200 -0.023 0.000 1.111 65 S HN 0.606 nan 8.310 nan 0.000 0.465 66 L N 1.420 122.633 121.223 -0.017 0.000 2.966 66 L HA 0.301 4.641 4.340 -0.000 0.000 0.262 66 L C 0.151 177.012 176.870 -0.014 0.000 1.165 66 L CA -0.021 54.810 54.840 -0.015 0.000 0.978 66 L CB 0.790 42.841 42.059 -0.014 0.000 1.337 66 L HN 0.620 nan 8.230 nan 0.000 0.563 67 T N 0.808 115.352 114.554 -0.016 0.000 2.761 67 T HA 0.323 4.673 4.350 -0.000 0.000 0.287 67 T C 1.164 175.857 174.700 -0.013 0.000 0.931 67 T CA 1.113 63.203 62.100 -0.016 0.000 1.164 67 T CB 0.857 69.713 68.868 -0.020 0.000 0.876 67 T HN 0.600 nan 8.240 nan 0.000 0.534 68 G N 2.596 111.389 108.800 -0.012 0.000 2.527 68 G HA2 0.036 3.996 3.960 -0.000 0.000 0.218 68 G HA3 0.036 3.996 3.960 -0.000 0.000 0.218 68 G C 0.184 175.080 174.900 -0.007 0.000 1.177 68 G CA -0.148 44.947 45.100 -0.008 0.000 0.695 68 G HN 1.475 nan 8.290 nan 0.000 0.517 69 A N -0.754 122.061 122.820 -0.007 0.000 2.456 69 A HA 0.736 5.056 4.320 -0.000 0.000 0.294 69 A C -3.338 174.241 177.584 -0.009 0.000 1.057 69 A CA 0.028 52.061 52.037 -0.007 0.000 0.623 69 A CB 0.216 19.213 19.000 -0.004 0.000 1.338 69 A HN 0.463 nan 8.150 nan 0.000 0.464 70 P HA 0.428 nan 4.420 nan 0.000 0.276 70 P C -0.648 176.645 177.300 -0.011 0.000 1.253 70 P CA 0.481 63.574 63.100 -0.011 0.000 0.766 70 P CB 0.837 32.531 31.700 -0.010 0.000 0.845 71 T N 2.567 117.113 114.554 -0.014 0.000 2.861 71 T HA 0.558 4.908 4.350 -0.000 0.000 0.287 71 T C -0.524 174.163 174.700 -0.021 0.000 1.003 71 T CA -0.423 61.669 62.100 -0.014 0.000 0.977 71 T CB 1.189 70.051 68.868 -0.010 0.000 0.996 71 T HN 0.149 nan 8.240 nan 0.000 0.448 72 T N 2.262 116.801 114.554 -0.025 0.000 2.879 72 T HA 0.721 5.071 4.350 -0.000 0.000 0.290 72 T C -0.608 174.064 174.700 -0.046 0.000 0.993 72 T CA -0.629 61.448 62.100 -0.038 0.000 0.975 72 T CB 1.462 70.304 68.868 -0.043 0.000 0.981 72 T HN 0.783 nan 8.240 nan 0.000 0.439 73 A N 2.759 125.547 122.820 -0.052 0.000 2.337 73 A HA 0.868 5.188 4.320 -0.000 0.000 0.329 73 A C -0.747 176.778 177.584 -0.098 0.000 1.146 73 A CA -0.664 51.339 52.037 -0.056 0.000 0.800 73 A CB 1.095 20.079 19.000 -0.025 0.000 1.220 73 A HN 0.674 nan 8.150 nan 0.000 0.472 74 V N 2.824 122.645 119.914 -0.155 0.000 2.531 74 V HA 0.564 4.684 4.120 -0.000 0.000 0.301 74 V C -0.686 175.315 176.094 -0.154 0.000 1.034 74 V CA -0.357 61.804 62.300 -0.231 0.000 0.865 74 V CB 1.465 33.001 31.823 -0.479 0.000 0.995 74 V HN 0.844 nan 8.190 nan 0.000 0.424 75 L N 4.322 125.540 121.223 -0.008 0.000 2.409 75 L HA 0.940 5.280 4.340 -0.000 0.000 0.272 75 L C -0.099 176.903 176.870 0.219 0.000 0.980 75 L CA -0.346 54.588 54.840 0.156 0.000 0.826 75 L CB 1.722 43.833 42.059 0.087 0.000 1.268 75 L HN 0.743 nan 8.230 nan 0.000 0.407 76 A N 3.709 126.753 122.820 0.373 0.000 2.292 76 A HA 0.890 5.210 4.320 -0.000 0.000 0.319 76 A C 0.421 178.133 177.584 0.213 0.000 1.206 76 A CA 0.424 52.609 52.037 0.246 0.000 0.835 76 A CB 0.817 19.925 19.000 0.179 0.000 1.164 76 A HN 1.435 nan 8.150 nan 0.000 0.505 77 G N 1.382 110.227 108.800 0.074 0.000 2.451 77 G HA2 0.204 4.164 3.960 -0.000 0.000 0.208 77 G HA3 0.204 4.164 3.960 -0.000 0.000 0.208 77 G C -0.540 174.333 174.900 -0.046 0.000 1.248 77 G CA 0.056 45.203 45.100 0.078 0.000 0.989 77 G HN 1.726 nan 8.290 nan 0.000 0.559 78 E N -1.438 118.786 120.200 0.040 0.000 2.430 78 E HA 0.698 5.048 4.350 -0.000 0.000 0.279 78 E C -1.221 175.224 176.600 -0.257 0.000 1.003 78 E CA -1.185 55.130 56.400 -0.142 0.000 0.801 78 E CB 1.916 31.492 29.700 -0.205 0.000 1.313 78 E HN 0.736 nan 8.360 nan 0.000 0.459 79 I N 1.519 121.882 120.570 -0.345 0.000 2.441 79 I HA 0.238 4.408 4.170 -0.000 0.000 0.295 79 I C -0.380 175.500 176.117 -0.395 0.000 0.994 79 I CA -0.787 60.307 61.300 -0.344 0.000 1.144 79 I CB 1.048 38.900 38.000 -0.247 0.000 1.314 79 I HN 0.586 nan 8.210 nan 0.000 0.445 80 Y N 2.360 122.712 120.300 0.085 0.000 2.441 80 Y HA -0.003 4.547 4.550 -0.000 0.000 0.288 80 Y C 1.620 177.539 175.900 0.032 0.000 1.118 80 Y CA -0.052 58.087 58.100 0.065 0.000 1.215 80 Y CB -0.108 38.404 38.460 0.085 0.000 1.118 80 Y HN 0.565 nan 8.280 nan 0.000 0.547 81 N N 1.601 120.383 118.700 0.137 0.000 3.250 81 N HA 0.055 4.795 4.740 -0.000 0.000 0.307 81 N C 0.650 176.172 175.510 0.020 0.000 1.355 81 N CA -0.055 53.039 53.050 0.073 0.000 1.192 81 N CB -0.140 38.381 38.487 0.057 0.000 1.478 81 N HN 0.299 nan 8.380 nan 0.000 0.543 82 R N 0.225 120.733 120.500 0.013 0.000 2.070 82 R HA -0.082 4.258 4.340 -0.000 0.000 0.233 82 R C 0.722 177.016 176.300 -0.010 0.000 1.137 82 R CA 1.423 57.513 56.100 -0.016 0.000 0.945 82 R CB -0.070 30.218 30.300 -0.019 0.000 0.845 82 R HN 0.317 nan 8.270 nan 0.000 0.430 83 D N 0.707 121.110 120.400 0.004 0.000 2.133 83 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 83 D C 1.821 178.121 176.300 0.001 0.000 0.997 83 D CA 1.414 55.416 54.000 0.003 0.000 0.840 83 D CB -0.069 40.737 40.800 0.010 0.000 0.947 83 D HN 0.213 nan 8.370 nan 0.000 0.452 84 E N 0.607 120.809 120.200 0.003 0.000 2.017 84 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 84 E C 2.407 179.001 176.600 -0.009 0.000 0.997 84 E CA 0.437 56.837 56.400 -0.001 0.000 0.804 84 E CB -0.446 29.254 29.700 0.001 0.000 0.757 84 E HN 0.252 nan 8.360 nan 0.000 0.448 85 L N -0.003 121.206 121.223 -0.022 0.000 2.079 85 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 85 L C 2.199 179.062 176.870 -0.012 0.000 1.081 85 L CA 0.533 55.353 54.840 -0.034 0.000 0.752 85 L CB -0.379 41.642 42.059 -0.063 0.000 0.896 85 L HN 0.183 nan 8.230 nan 0.000 0.433 86 L N -0.104 121.111 121.223 -0.013 0.000 2.201 86 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 86 L C 2.834 179.706 176.870 0.003 0.000 1.105 86 L CA 1.914 56.749 54.840 -0.008 0.000 0.775 86 L CB -0.687 41.364 42.059 -0.013 0.000 0.913 86 L HN 0.363 nan 8.230 nan 0.000 0.440 87 S N -1.533 114.171 115.700 0.007 0.000 2.481 87 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 87 S C 1.619 176.234 174.600 0.026 0.000 0.996 87 S CA 0.846 59.054 58.200 0.013 0.000 0.942 87 S CB -0.738 62.468 63.200 0.011 0.000 0.768 87 S HN 0.297 nan 8.310 nan 0.000 0.520 88 V N -1.247 118.694 119.914 0.044 0.000 3.647 88 V HA 0.476 4.596 4.120 -0.000 0.000 0.279 88 V C 0.409 176.551 176.094 0.080 0.000 1.314 88 V CA -0.393 61.959 62.300 0.086 0.000 1.125 88 V CB -0.870 31.048 31.823 0.158 0.000 0.907 88 V HN 0.395 nan 8.190 nan 0.000 0.434 89 L N 0.896 122.146 121.223 0.044 0.000 2.375 89 L HA 0.404 4.744 4.340 -0.000 0.000 0.271 89 L C -0.911 175.958 176.870 -0.001 0.000 1.107 89 L CA -1.533 53.318 54.840 0.019 0.000 0.806 89 L CB 0.886 42.949 42.059 0.008 0.000 1.146 89 L HN 0.079 nan 8.230 nan 0.000 0.447 90 P HA -0.058 nan 4.420 nan 0.000 0.199 90 P C 0.043 177.333 177.300 -0.018 0.000 1.146 90 P CA 0.391 63.478 63.100 -0.023 0.000 0.905 90 P CB 0.046 31.726 31.700 -0.034 0.000 0.737 91 A N -0.616 122.192 122.820 -0.020 0.000 2.504 91 A HA 0.304 4.624 4.320 -0.000 0.000 0.242 91 A C 1.735 179.310 177.584 -0.015 0.000 1.100 91 A CA 0.720 52.747 52.037 -0.018 0.000 0.786 91 A CB -0.839 18.149 19.000 -0.020 0.000 1.050 91 A HN 0.343 nan 8.150 nan 0.000 0.512 92 G N -0.459 108.332 108.800 -0.015 0.000 2.490 92 G HA2 0.181 4.140 3.960 -0.000 0.000 0.211 92 G HA3 0.181 4.140 3.960 -0.000 0.000 0.211 92 G C -1.135 173.756 174.900 -0.015 0.000 1.159 92 G CA 0.344 45.436 45.100 -0.013 0.000 0.819 92 G HN 0.736 nan 8.290 nan 0.000 0.539 93 P HA 0.275 nan 4.420 nan 0.000 0.252 93 P C 0.060 177.347 177.300 -0.022 0.000 1.183 93 P CA 0.048 63.136 63.100 -0.019 0.000 0.973 93 P CB 0.324 32.012 31.700 -0.019 0.000 0.990 94 A N 7.323 130.130 122.820 -0.022 0.000 2.483 94 A HA 0.346 4.666 4.320 -0.000 0.000 0.238 94 A C -1.401 176.165 177.584 -0.031 0.000 1.070 94 A CA -0.977 51.045 52.037 -0.025 0.000 0.770 94 A CB -0.871 18.115 19.000 -0.024 0.000 1.008 94 A HN 0.456 nan 8.150 nan 0.000 0.497 95 P HA 0.061 nan 4.420 nan 0.000 0.270 95 P C 0.249 177.522 177.300 -0.045 0.000 1.223 95 P CA -0.041 63.033 63.100 -0.042 0.000 0.785 95 P CB 0.606 32.276 31.700 -0.050 0.000 0.923 96 E N 1.016 121.188 120.200 -0.048 0.000 2.299 96 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 96 E C 0.772 177.336 176.600 -0.060 0.000 0.998 96 E CA 0.103 56.473 56.400 -0.050 0.000 0.851 96 E CB -0.028 29.642 29.700 -0.049 0.000 0.795 96 E HN 0.556 nan 8.360 nan 0.000 0.492 97 G N -0.112 108.647 108.800 -0.068 0.000 2.721 97 G HA2 0.130 4.090 3.960 -0.000 0.000 0.296 97 G HA3 0.130 4.090 3.960 -0.000 0.000 0.296 97 G C -0.763 174.083 174.900 -0.090 0.000 1.383 97 G CA -0.271 44.780 45.100 -0.081 0.000 0.788 97 G HN -0.100 nan 8.290 nan 0.000 0.500 98 D N -0.143 120.194 120.400 -0.106 0.000 2.219 98 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 98 D C 2.538 178.766 176.300 -0.120 0.000 0.970 98 D CA 1.437 55.360 54.000 -0.128 0.000 0.851 98 D CB 0.004 40.714 40.800 -0.150 0.000 0.943 98 D HN 0.408 nan 8.370 nan 0.000 0.488 99 A N 0.588 123.353 122.820 -0.093 0.000 1.929 99 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 99 A C 2.094 179.636 177.584 -0.070 0.000 1.176 99 A CA 1.305 53.299 52.037 -0.072 0.000 0.628 99 A CB -0.383 18.578 19.000 -0.065 0.000 0.816 99 A HN 0.207 nan 8.150 nan 0.000 0.444 100 E N -0.629 119.528 120.200 -0.071 0.000 2.152 100 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 100 E C 1.852 178.411 176.600 -0.069 0.000 0.983 100 E CA 0.872 57.235 56.400 -0.063 0.000 0.818 100 E CB -0.109 29.556 29.700 -0.057 0.000 0.758 100 E HN 0.431 nan 8.360 nan 0.000 0.467 101 L N 0.470 121.643 121.223 -0.083 0.000 2.017 101 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 101 L C 2.190 178.993 176.870 -0.112 0.000 1.073 101 L CA 1.381 56.166 54.840 -0.092 0.000 0.745 101 L CB -0.561 41.434 42.059 -0.107 0.000 0.894 101 L HN 0.012 nan 8.230 nan 0.000 0.432 102 V N -0.644 119.190 119.914 -0.134 0.000 2.295 102 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 102 V C 2.578 178.598 176.094 -0.124 0.000 1.049 102 V CA 1.698 63.899 62.300 -0.166 0.000 1.024 102 V CB -0.627 31.123 31.823 -0.121 0.000 0.648 102 V HN 0.394 nan 8.190 nan 0.000 0.447 103 L N -0.144 121.035 121.223 -0.074 0.000 2.013 103 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 103 L C 2.671 179.510 176.870 -0.051 0.000 1.073 103 L CA 1.934 56.743 54.840 -0.051 0.000 0.753 103 L CB -0.892 41.143 42.059 -0.040 0.000 0.890 103 L HN 0.227 nan 8.230 nan 0.000 0.432 104 R N -0.659 119.810 120.500 -0.052 0.000 2.091 104 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 104 R C 2.254 178.539 176.300 -0.026 0.000 1.136 104 R CA 1.348 57.425 56.100 -0.039 0.000 0.959 104 R CB -1.013 29.265 30.300 -0.036 0.000 0.856 104 R HN 0.390 nan 8.270 nan 0.000 0.437 105 L N 0.450 121.650 121.223 -0.037 0.000 2.093 105 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 105 L C 2.449 179.334 176.870 0.024 0.000 1.085 105 L CA 0.892 55.742 54.840 0.016 0.000 0.755 105 L CB -0.411 41.594 42.059 -0.090 0.000 0.904 105 L HN 0.107 nan 8.230 nan 0.000 0.435 106 L N -0.532 120.652 121.223 -0.065 0.000 2.141 106 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 106 L C 2.344 179.206 176.870 -0.013 0.000 1.094 106 L CA 1.142 55.952 54.840 -0.050 0.000 0.763 106 L CB -0.409 41.621 42.059 -0.048 0.000 0.908 106 L HN 0.305 nan 8.230 nan 0.000 0.437 107 E N -0.438 119.748 120.200 -0.024 0.000 2.274 107 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 107 E C 2.128 178.691 176.600 -0.062 0.000 0.996 107 E CA 0.539 56.919 56.400 -0.034 0.000 0.840 107 E CB 0.111 29.789 29.700 -0.037 0.000 0.772 107 E HN 0.361 nan 8.360 nan 0.000 0.491 108 R N -0.453 119.999 120.500 -0.080 0.000 2.103 108 R HA 0.009 4.349 4.340 -0.000 0.000 0.212 108 R C 1.078 177.175 176.300 -0.339 0.000 1.107 108 R CA 0.619 56.575 56.100 -0.241 0.000 1.025 108 R CB 0.241 30.337 30.300 -0.340 0.000 0.929 108 R HN 0.132 nan 8.270 nan 0.000 0.456 109 Y N 0.638 120.927 120.300 -0.018 0.000 2.449 109 Y HA 0.218 4.768 4.550 -0.000 0.000 0.254 109 Y C 0.190 176.137 175.900 0.080 0.000 1.140 109 Y CA 0.110 58.227 58.100 0.029 0.000 1.272 109 Y CB 0.220 38.691 38.460 0.017 0.000 1.114 109 Y HN 0.213 nan 8.280 nan 0.000 0.525 110 D N -0.405 120.069 120.400 0.122 0.000 4.111 110 D HA -0.288 4.352 4.640 -0.000 0.000 0.290 110 D C 1.016 177.344 176.300 0.046 0.000 2.255 110 D CA 1.413 55.455 54.000 0.071 0.000 1.109 110 D CB -0.257 40.584 40.800 0.068 0.000 1.034 110 D HN 0.090 nan 8.370 nan 0.000 1.222 111 L N -1.096 120.115 121.223 -0.021 0.000 2.369 111 L HA -0.088 4.252 4.340 -0.000 0.000 0.220 111 L C 1.926 178.797 176.870 0.002 0.000 1.119 111 L CA 2.323 57.183 54.840 0.032 0.000 0.780 111 L CB -1.497 40.521 42.059 -0.068 0.000 0.906 111 L HN 0.517 nan 8.230 nan 0.000 0.442 112 H N 0.126 119.247 119.070 0.085 0.000 2.546 112 H HA 0.234 4.790 4.556 -0.000 0.000 0.277 112 H C 2.292 177.617 175.328 -0.006 0.000 1.004 112 H CA 0.732 56.825 56.048 0.074 0.000 1.231 112 H CB -0.034 29.779 29.762 0.085 0.000 1.382 112 H HN 0.547 nan 8.280 nan 0.000 0.580 113 A N 0.609 123.420 122.820 -0.015 0.000 1.986 113 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 113 A C 1.585 178.965 177.584 -0.340 0.000 1.171 113 A CA 1.375 53.253 52.037 -0.265 0.000 0.640 113 A CB -0.927 17.832 19.000 -0.401 0.000 0.811 113 A HN 0.414 nan 8.150 nan 0.000 0.451 114 F N -0.471 119.522 119.950 0.071 0.000 2.604 114 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 114 F C 2.346 178.235 175.800 0.149 0.000 1.131 114 F CA 0.846 58.927 58.000 0.135 0.000 1.457 114 F CB -0.082 39.028 39.000 0.184 0.000 1.095 114 F HN 0.125 nan 8.300 nan 0.000 0.574 115 R N -0.011 120.621 120.500 0.221 0.000 2.276 115 R HA 0.023 4.363 4.340 -0.000 0.000 0.203 115 R C 1.510 177.876 176.300 0.110 0.000 1.017 115 R CA 0.685 56.904 56.100 0.198 0.000 1.010 115 R CB -0.177 30.222 30.300 0.165 0.000 0.900 115 R HN 0.371 nan 8.270 nan 0.000 0.469 116 L N 0.150 121.377 121.223 0.007 0.000 2.554 116 L HA 0.131 4.471 4.340 -0.000 0.000 0.225 116 L C 0.210 177.078 176.870 -0.002 0.000 1.104 116 L CA -0.101 54.704 54.840 -0.059 0.000 0.866 116 L CB 0.569 42.489 42.059 -0.231 0.000 1.047 116 L HN -0.139 nan 8.230 nan 0.000 0.468 117 V N 1.061 121.017 119.914 0.070 0.000 2.530 117 V HA 0.047 4.167 4.120 -0.000 0.000 0.282 117 V C 0.080 176.299 176.094 0.209 0.000 1.048 117 V CA -0.267 62.100 62.300 0.111 0.000 0.997 117 V CB 1.080 32.971 31.823 0.113 0.000 0.987 117 V HN 0.297 nan 8.190 nan 0.000 0.477 118 N N 3.498 122.296 118.700 0.162 0.000 2.626 118 N HA 0.601 5.341 4.740 -0.000 0.000 0.242 118 N C -0.168 175.536 175.510 0.324 0.000 1.005 118 N CA 0.010 53.177 53.050 0.194 0.000 0.905 118 N CB 1.212 39.767 38.487 0.113 0.000 1.128 118 N HN 0.875 nan 8.380 nan 0.000 0.512 119 G N 1.605 110.701 108.800 0.493 0.000 2.706 119 G HA2 0.365 4.325 3.960 -0.000 0.000 0.307 119 G HA3 0.365 4.325 3.960 -0.000 0.000 0.307 119 G C -1.555 173.655 174.900 0.517 0.000 1.307 119 G CA -0.716 44.642 45.100 0.429 0.000 0.790 119 G HN 0.460 nan 8.290 nan 0.000 0.503 120 R N -0.044 120.703 120.500 0.412 0.000 2.513 120 R HA 0.583 4.923 4.340 -0.000 0.000 0.283 120 R C -1.343 175.199 176.300 0.404 0.000 1.535 120 R CA -0.584 55.737 56.100 0.369 0.000 1.315 120 R CB 0.076 30.672 30.300 0.494 0.000 1.163 120 R HN 0.611 nan 8.270 nan 0.000 0.573 121 F N 0.310 120.346 119.950 0.145 0.000 2.711 121 F HA 0.885 5.412 4.527 -0.000 0.000 0.313 121 F C -1.913 173.949 175.800 0.103 0.000 1.141 121 F CA -1.260 56.818 58.000 0.131 0.000 0.941 121 F CB 1.255 40.317 39.000 0.103 0.000 1.349 121 F HN 0.223 nan 8.300 nan 0.000 0.464 122 A N 1.048 124.006 122.820 0.230 0.000 2.455 122 A HA 0.771 5.091 4.320 -0.000 0.000 0.300 122 A C -1.149 176.710 177.584 0.458 0.000 1.040 122 A CA -0.388 51.734 52.037 0.142 0.000 0.697 122 A CB 1.622 20.613 19.000 -0.014 0.000 1.265 122 A HN 1.222 nan 8.150 nan 0.000 0.407 123 T N 0.276 115.077 114.554 0.413 0.000 2.900 123 T HA 0.632 4.982 4.350 -0.000 0.000 0.303 123 T C -1.771 173.046 174.700 0.194 0.000 1.142 123 T CA -0.240 62.074 62.100 0.357 0.000 1.007 123 T CB 1.510 70.582 68.868 0.340 0.000 1.156 123 T HN 1.868 nan 8.240 nan 0.000 0.490 124 V N 4.365 124.277 119.914 -0.004 0.000 2.656 124 V HA 0.900 5.020 4.120 -0.000 0.000 0.307 124 V C -1.458 174.601 176.094 -0.059 0.000 1.051 124 V CA -0.293 61.981 62.300 -0.043 0.000 0.893 124 V CB 1.705 33.449 31.823 -0.133 0.000 0.999 124 V HN 0.829 nan 8.190 nan 0.000 0.426 125 V N 6.808 126.723 119.914 0.001 0.000 2.709 125 V HA 0.656 4.776 4.120 -0.000 0.000 0.308 125 V C -0.370 175.727 176.094 0.004 0.000 1.062 125 V CA -0.796 61.510 62.300 0.010 0.000 0.901 125 V CB 2.089 33.957 31.823 0.075 0.000 1.003 125 V HN 0.974 nan 8.190 nan 0.000 0.425 126 R N 1.849 122.343 120.500 -0.010 0.000 2.480 126 R HA 0.692 5.032 4.340 -0.000 0.000 0.306 126 R C -1.016 175.282 176.300 -0.003 0.000 0.958 126 R CA -0.181 55.915 56.100 -0.007 0.000 0.861 126 R CB 1.789 32.078 30.300 -0.017 0.000 1.171 126 R HN 0.772 nan 8.270 nan 0.000 0.445 127 T N 3.344 117.900 114.554 0.003 0.000 2.985 127 T HA 0.518 4.868 4.350 -0.000 0.000 0.315 127 T C 0.389 175.089 174.700 0.001 0.000 1.001 127 T CA 0.692 62.794 62.100 0.002 0.000 1.016 127 T CB 0.785 69.658 68.868 0.008 0.000 0.993 127 T HN 0.979 nan 8.240 nan 0.000 0.454 128 G N 5.052 113.850 108.800 -0.003 0.000 2.531 128 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.274 128 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.274 128 G C 0.113 175.010 174.900 -0.004 0.000 1.159 128 G CA 0.435 45.533 45.100 -0.003 0.000 0.969 128 G HN 0.647 nan 8.290 nan 0.000 0.554 129 D N 1.198 121.595 120.400 -0.004 0.000 2.388 129 D HA 0.228 4.868 4.640 -0.000 0.000 0.221 129 D C 1.113 177.408 176.300 -0.009 0.000 1.133 129 D CA 0.075 54.071 54.000 -0.008 0.000 0.831 129 D CB 0.213 41.007 40.800 -0.009 0.000 0.962 129 D HN 0.451 nan 8.370 nan 0.000 0.502 130 R N 0.578 121.077 120.500 -0.003 0.000 2.407 130 R HA 0.524 4.864 4.340 -0.000 0.000 0.303 130 R C -1.232 175.070 176.300 0.004 0.000 0.981 130 R CA -0.449 55.652 56.100 0.002 0.000 0.905 130 R CB 1.340 31.646 30.300 0.010 0.000 1.099 130 R HN -0.235 nan 8.270 nan 0.000 0.459 131 V N 6.231 126.147 119.914 0.004 0.000 2.531 131 V HA 0.415 4.535 4.120 -0.000 0.000 0.301 131 V C -0.465 175.640 176.094 0.018 0.000 1.034 131 V CA -0.779 61.525 62.300 0.007 0.000 0.865 131 V CB 1.839 33.660 31.823 -0.002 0.000 0.995 131 V HN 0.666 nan 8.190 nan 0.000 0.424 132 L N 5.762 127.004 121.223 0.031 0.000 2.322 132 L HA 0.644 4.984 4.340 -0.000 0.000 0.281 132 L C -0.898 175.975 176.870 0.006 0.000 1.014 132 L CA -0.494 54.368 54.840 0.037 0.000 0.815 132 L CB 1.820 43.940 42.059 0.103 0.000 1.247 132 L HN 0.414 nan 8.230 nan 0.000 0.421 133 L N 3.529 124.731 121.223 -0.035 0.000 2.343 133 L HA 0.790 5.130 4.340 -0.000 0.000 0.278 133 L C -0.285 176.488 176.870 -0.163 0.000 0.996 133 L CA -0.363 54.450 54.840 -0.046 0.000 0.831 133 L CB 1.730 43.786 42.059 -0.005 0.000 1.232 133 L HN 0.689 nan 8.230 nan 0.000 0.413 134 A N 2.027 124.696 122.820 -0.250 0.000 2.413 134 A HA 0.954 5.274 4.320 -0.000 0.000 0.307 134 A C -0.247 177.187 177.584 -0.249 0.000 1.087 134 A CA -0.472 51.302 52.037 -0.438 0.000 0.750 134 A CB 1.934 20.125 19.000 -1.348 0.000 1.296 134 A HN 0.625 nan 8.150 nan 0.000 0.423 135 T N -1.221 113.163 114.554 -0.283 0.000 2.907 135 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 135 T C -0.387 173.973 174.700 -0.568 0.000 1.066 135 T CA -0.379 61.483 62.100 -0.396 0.000 1.012 135 T CB 1.142 69.860 68.868 -0.251 0.000 1.184 135 T HN 0.754 nan 8.240 nan 0.000 0.522 136 D N -0.911 119.002 120.400 -0.811 0.000 2.398 136 D HA 0.103 4.743 4.640 -0.000 0.000 0.247 136 D C 1.627 177.812 176.300 -0.191 0.000 1.227 136 D CA -0.523 53.134 54.000 -0.572 0.000 0.980 136 D CB 0.176 40.677 40.800 -0.499 0.000 1.106 136 D HN 0.789 nan 8.370 nan 0.000 0.493 137 H N -0.965 118.042 119.070 -0.105 0.000 2.431 137 H HA -0.166 4.390 4.556 -0.000 0.000 0.297 137 H C 1.124 176.366 175.328 -0.144 0.000 1.115 137 H CA 1.780 57.703 56.048 -0.209 0.000 1.277 137 H CB -0.497 28.784 29.762 -0.803 0.000 1.372 137 H HN 0.462 nan 8.280 nan 0.000 0.516 138 A N 0.220 122.597 122.820 -0.738 0.000 2.390 138 A HA 0.429 4.749 4.320 -0.000 0.000 0.232 138 A C 1.881 179.512 177.584 0.078 0.000 1.233 138 A CA 0.542 52.486 52.037 -0.155 0.000 0.907 138 A CB -0.210 18.670 19.000 -0.201 0.000 0.967 138 A HN 0.745 nan 8.150 nan 0.000 0.512 139 G N 0.870 109.605 108.800 -0.109 0.000 2.295 139 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.287 139 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.287 139 G C 0.965 175.797 174.900 -0.113 0.000 1.055 139 G CA 1.127 46.158 45.100 -0.116 0.000 0.922 139 G HN 1.402 nan 8.290 nan 0.000 0.503 140 S N -2.331 113.285 115.700 -0.140 0.000 2.474 140 S HA 0.225 4.695 4.470 -0.000 0.000 0.235 140 S C 0.871 175.411 174.600 -0.100 0.000 0.997 140 S CA 1.126 59.264 58.200 -0.104 0.000 0.949 140 S CB 0.483 63.657 63.200 -0.043 0.000 0.766 140 S HN 0.966 nan 8.310 nan 0.000 0.517 141 V N 3.506 123.348 119.914 -0.120 0.000 2.305 141 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 141 V C -2.590 173.409 176.094 -0.158 0.000 1.020 141 V CA -2.102 60.139 62.300 -0.099 0.000 0.811 141 V CB 0.964 32.766 31.823 -0.035 0.000 1.031 141 V HN 0.152 nan 8.190 nan 0.000 0.439 142 P HA 0.131 nan 4.420 nan 0.000 0.266 142 P C -0.838 176.277 177.300 -0.309 0.000 1.193 142 P CA 0.051 62.996 63.100 -0.258 0.000 0.770 142 P CB 0.549 32.169 31.700 -0.133 0.000 0.836 143 L N 4.464 125.391 121.223 -0.493 0.000 2.464 143 L HA 0.514 4.853 4.340 -0.000 0.000 0.266 143 L C -1.673 174.910 176.870 -0.478 0.000 0.965 143 L CA -0.608 54.033 54.840 -0.330 0.000 0.833 143 L CB 1.095 43.046 42.059 -0.179 0.000 1.296 143 L HN 0.278 nan 8.230 nan 0.000 0.405 144 Y N 1.962 122.266 120.300 0.006 0.000 2.602 144 Y HA 0.851 5.401 4.550 -0.000 0.000 0.342 144 Y C 0.272 176.225 175.900 0.088 0.000 1.029 144 Y CA -0.693 57.438 58.100 0.052 0.000 1.080 144 Y CB 2.550 41.039 38.460 0.047 0.000 1.284 144 Y HN 0.607 nan 8.280 nan 0.000 0.485 145 T N 0.218 114.940 114.554 0.282 0.000 2.853 145 T HA 0.593 4.943 4.350 -0.000 0.000 0.311 145 T C -2.050 172.782 174.700 0.219 0.000 1.307 145 T CA -0.450 61.775 62.100 0.208 0.000 1.019 145 T CB 0.656 69.606 68.868 0.136 0.000 1.264 145 T HN 0.731 nan 8.240 nan 0.000 0.497 146 C N 3.411 122.811 119.300 0.167 0.000 2.346 146 C HA 0.768 5.228 4.460 -0.000 0.000 0.326 146 C C -0.435 174.620 174.990 0.109 0.000 1.224 146 C CA -0.749 58.369 59.018 0.167 0.000 1.408 146 C CB 0.322 28.152 27.740 0.150 0.000 2.089 146 C HN 0.737 nan 8.230 nan 0.000 0.456 147 V N 3.129 123.093 119.914 0.083 0.000 2.495 147 V HA 0.914 5.034 4.120 -0.000 0.000 0.298 147 V C 0.144 176.227 176.094 -0.019 0.000 1.031 147 V CA -0.092 62.202 62.300 -0.010 0.000 0.871 147 V CB 1.637 33.399 31.823 -0.102 0.000 0.988 147 V HN 1.051 nan 8.190 nan 0.000 0.432 148 A N 5.939 128.692 122.820 -0.112 0.000 2.520 148 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 148 A C -3.121 174.287 177.584 -0.294 0.000 1.051 148 A CA -1.812 50.129 52.037 -0.160 0.000 0.690 148 A CB 1.957 21.121 19.000 0.274 0.000 1.281 148 A HN 0.607 nan 8.150 nan 0.000 0.402 149 P HA 0.191 nan 4.420 nan 0.000 0.255 149 P C 1.138 178.400 177.300 -0.064 0.000 1.161 149 P CA 2.578 65.542 63.100 -0.227 0.000 0.768 149 P CB 0.326 31.975 31.700 -0.085 0.000 0.746 150 G N 2.187 110.948 108.800 -0.065 0.000 2.195 150 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 150 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 150 G C -0.028 174.865 174.900 -0.011 0.000 0.984 150 G CA 0.125 45.212 45.100 -0.022 0.000 0.633 150 G HN 0.632 nan 8.290 nan 0.000 0.525 151 E N -0.478 119.711 120.200 -0.019 0.000 2.311 151 E HA 0.549 4.899 4.350 -0.000 0.000 0.281 151 E C -1.301 175.300 176.600 0.001 0.000 0.905 151 E CA -0.703 55.700 56.400 0.004 0.000 0.778 151 E CB 2.283 32.002 29.700 0.032 0.000 1.240 151 E HN 0.279 nan 8.360 nan 0.000 0.410 152 V N 4.201 124.121 119.914 0.010 0.000 2.588 152 V HA 0.576 4.696 4.120 -0.000 0.000 0.304 152 V C -0.466 175.658 176.094 0.050 0.000 1.042 152 V CA -0.729 61.583 62.300 0.020 0.000 0.877 152 V CB 1.878 33.704 31.823 0.005 0.000 0.996 152 V HN 0.637 nan 8.190 nan 0.000 0.425 153 R N 2.458 123.004 120.500 0.076 0.000 2.480 153 R HA 0.845 5.185 4.340 -0.000 0.000 0.306 153 R C -0.667 175.718 176.300 0.141 0.000 0.958 153 R CA -0.170 55.993 56.100 0.104 0.000 0.861 153 R CB 2.107 32.469 30.300 0.104 0.000 1.171 153 R HN 0.909 nan 8.270 nan 0.000 0.445 154 A N 1.433 124.364 122.820 0.184 0.000 2.401 154 A HA 0.800 5.120 4.320 -0.000 0.000 0.310 154 A C -1.082 176.706 177.584 0.339 0.000 1.075 154 A CA -0.613 51.577 52.037 0.255 0.000 0.746 154 A CB 2.118 21.285 19.000 0.279 0.000 1.277 154 A HN 0.525 nan 8.150 nan 0.000 0.425 155 S N -0.515 115.350 115.700 0.275 0.000 2.537 155 S HA 0.500 4.970 4.470 -0.000 0.000 0.271 155 S C 0.654 175.252 174.600 -0.004 0.000 1.148 155 S CA 0.302 58.606 58.200 0.173 0.000 0.868 155 S CB 1.190 64.531 63.200 0.235 0.000 1.115 155 S HN 1.446 nan 8.310 nan 0.000 0.461 156 T N 0.337 114.691 114.554 -0.333 0.000 3.160 156 T HA 0.288 4.638 4.350 -0.000 0.000 0.257 156 T C 0.117 174.812 174.700 -0.009 0.000 1.147 156 T CA 0.416 62.329 62.100 -0.312 0.000 1.064 156 T CB -0.392 68.131 68.868 -0.575 0.000 0.949 156 T HN 0.612 nan 8.240 nan 0.000 0.526 157 E N -0.078 120.161 120.200 0.065 0.000 2.260 157 E HA 0.601 4.951 4.350 -0.000 0.000 0.266 157 E C 0.531 177.033 176.600 -0.163 0.000 0.887 157 E CA -0.577 55.826 56.400 0.005 0.000 0.777 157 E CB 1.923 31.636 29.700 0.021 0.000 1.205 157 E HN 0.104 nan 8.360 nan 0.000 0.414 158 A N 3.984 126.371 122.820 -0.721 0.000 1.940 158 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 158 A C 1.981 179.375 177.584 -0.316 0.000 1.176 158 A CA 1.903 53.503 52.037 -0.730 0.000 0.631 158 A CB -0.516 17.826 19.000 -1.098 0.000 0.814 158 A HN 0.687 nan 8.150 nan 0.000 0.446 159 K N -0.294 119.935 120.400 -0.285 0.000 2.160 159 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 159 K C 1.714 178.246 176.600 -0.113 0.000 1.047 159 K CA 1.530 57.698 56.287 -0.198 0.000 0.930 159 K CB -0.472 31.904 32.500 -0.206 0.000 0.720 159 K HN 0.286 nan 8.250 nan 0.000 0.450 160 A N 0.508 123.287 122.820 -0.069 0.000 2.169 160 A HA 0.096 4.416 4.320 -0.000 0.000 0.212 160 A C 1.754 179.324 177.584 -0.023 0.000 1.153 160 A CA 0.458 52.458 52.037 -0.061 0.000 0.756 160 A CB -0.025 18.973 19.000 -0.004 0.000 0.813 160 A HN 0.257 nan 8.150 nan 0.000 0.471 161 L N -1.682 119.530 121.223 -0.019 0.000 2.590 161 L HA 0.315 4.655 4.340 -0.000 0.000 0.227 161 L C 2.479 179.346 176.870 -0.004 0.000 1.099 161 L CA 1.076 55.923 54.840 0.012 0.000 0.872 161 L CB -0.294 41.789 42.059 0.041 0.000 1.088 161 L HN 0.319 nan 8.230 nan 0.000 0.479 162 A N -0.341 122.455 122.820 -0.040 0.000 1.968 162 A HA 0.299 4.619 4.320 -0.000 0.000 0.217 162 A C 1.595 179.167 177.584 -0.019 0.000 1.169 162 A CA 0.893 52.910 52.037 -0.033 0.000 0.638 162 A CB -0.495 18.467 19.000 -0.064 0.000 0.812 162 A HN 0.295 nan 8.150 nan 0.000 0.446 170 F N 1.589 121.568 119.950 0.047 0.000 2.461 170 F HA 0.708 5.235 4.527 -0.000 0.000 0.332 170 F C -2.071 173.731 175.800 0.004 0.000 1.073 170 F CA -2.547 55.465 58.000 0.021 0.000 1.017 170 F CB 1.176 40.162 39.000 -0.023 0.000 1.301 170 F HN -0.191 nan 8.300 nan 0.000 0.492 171 P HA 0.450 nan 4.420 nan 0.000 0.292 171 P C -1.424 175.753 177.300 -0.204 0.000 1.283 171 P CA -0.406 62.732 63.100 0.064 0.000 0.835 171 P CB 0.955 32.769 31.700 0.191 0.000 1.017 172 L N 1.664 122.454 121.223 -0.722 0.000 2.298 172 L HA 0.667 5.007 4.340 -0.000 0.000 0.284 172 L C 0.534 177.253 176.870 -0.251 0.000 1.013 172 L CA -1.070 53.451 54.840 -0.531 0.000 0.824 172 L CB 1.481 43.095 42.059 -0.741 0.000 1.221 172 L HN 0.369 nan 8.230 nan 0.000 0.418 173 A N 2.117 124.871 122.820 -0.111 0.000 2.371 173 A HA 0.288 4.608 4.320 -0.000 0.000 0.257 173 A C 0.491 178.054 177.584 -0.034 0.000 1.089 173 A CA -0.105 51.912 52.037 -0.033 0.000 0.794 173 A CB 0.070 19.054 19.000 -0.025 0.000 1.029 173 A HN 0.971 nan 8.150 nan 0.000 0.488 174 D N -1.287 119.114 120.400 0.002 0.000 2.907 174 D HA -0.157 4.483 4.640 -0.000 0.000 0.226 174 D C 0.049 176.357 176.300 0.014 0.000 1.141 174 D CA 1.382 55.382 54.000 -0.001 0.000 0.779 174 D CB -1.598 39.185 40.800 -0.029 0.000 1.095 174 D HN 1.197 nan 8.370 nan 0.000 0.430 175 A N 0.737 123.598 122.820 0.068 0.000 2.486 175 A HA 0.644 4.964 4.320 -0.000 0.000 0.300 175 A C 0.060 177.813 177.584 0.281 0.000 1.048 175 A CA -0.962 51.164 52.037 0.149 0.000 0.696 175 A CB 1.634 20.724 19.000 0.149 0.000 1.278 175 A HN 0.185 nan 8.150 nan 0.000 0.405 176 R N 1.828 122.431 120.500 0.172 0.000 2.404 176 R HA 0.626 4.966 4.340 -0.000 0.000 0.291 176 R C -0.651 175.608 176.300 -0.069 0.000 1.025 176 R CA -0.623 55.518 56.100 0.069 0.000 0.991 176 R CB 1.158 31.459 30.300 0.001 0.000 1.053 176 R HN 0.684 nan 8.270 nan 0.000 0.479 177 R N 1.352 121.676 120.500 -0.293 0.000 2.582 177 R HA 0.186 4.526 4.340 -0.000 0.000 0.271 177 R C -0.198 175.974 176.300 -0.213 0.000 1.078 177 R CA -0.549 55.233 56.100 -0.529 0.000 1.127 177 R CB 1.080 31.077 30.300 -0.505 0.000 1.038 177 R HN 0.380 nan 8.270 nan 0.000 0.500 178 V N 2.335 122.161 119.914 -0.147 0.000 2.649 178 V HA 0.188 4.308 4.120 -0.000 0.000 0.292 178 V C 0.644 176.702 176.094 -0.061 0.000 1.055 178 V CA -0.649 61.637 62.300 -0.025 0.000 1.023 178 V CB 1.284 33.141 31.823 0.057 0.000 0.992 178 V HN 0.920 nan 8.190 nan 0.000 0.480 179 A N 3.678 126.419 122.820 -0.132 0.000 2.540 179 A HA 0.461 4.781 4.320 -0.000 0.000 0.239 179 A C 1.578 179.166 177.584 0.008 0.000 1.061 179 A CA 0.515 52.446 52.037 -0.178 0.000 0.758 179 A CB -0.623 18.098 19.000 -0.464 0.000 0.991 179 A HN 2.260 nan 8.150 nan 0.000 0.502 180 G N 0.679 109.483 108.800 0.007 0.000 2.212 180 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.267 180 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.267 180 G C 0.001 174.942 174.900 0.068 0.000 1.002 180 G CA 0.989 46.129 45.100 0.067 0.000 0.729 180 G HN 0.856 nan 8.290 nan 0.000 0.517 181 L N -0.460 120.784 121.223 0.035 0.000 2.309 181 L HA 0.841 5.180 4.340 -0.000 0.000 0.261 181 L C 0.391 177.251 176.870 -0.017 0.000 1.021 181 L CA -0.528 54.322 54.840 0.017 0.000 0.823 181 L CB 2.481 44.554 42.059 0.023 0.000 1.366 181 L HN 0.281 nan 8.230 nan 0.000 0.423 182 T N -2.934 111.620 114.554 -0.000 0.000 2.881 182 T HA 0.569 4.919 4.350 -0.000 0.000 0.290 182 T C 0.571 175.304 174.700 0.056 0.000 1.000 182 T CA 0.006 62.111 62.100 0.008 0.000 0.978 182 T CB 1.715 70.593 68.868 0.018 0.000 0.997 182 T HN 1.034 nan 8.240 nan 0.000 0.443 183 G N 1.451 110.319 108.800 0.113 0.000 2.189 183 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.267 183 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.267 183 G C 0.009 175.085 174.900 0.293 0.000 0.975 183 G CA 0.098 45.350 45.100 0.254 0.000 0.644 183 G HN 1.245 nan 8.290 nan 0.000 0.537 184 V N 0.997 120.993 119.914 0.137 0.000 2.347 184 V HA 0.665 4.785 4.120 -0.000 0.000 0.280 184 V C -0.302 175.830 176.094 0.064 0.000 1.021 184 V CA -0.946 61.447 62.300 0.154 0.000 0.847 184 V CB 0.882 32.745 31.823 0.068 0.000 0.990 184 V HN 0.231 nan 8.190 nan 0.000 0.444 185 Y N 2.322 122.708 120.300 0.143 0.000 2.509 185 Y HA 0.554 5.104 4.550 -0.000 0.000 0.341 185 Y C 0.269 176.277 175.900 0.180 0.000 1.038 185 Y CA -0.866 57.315 58.100 0.134 0.000 1.089 185 Y CB 1.791 40.298 38.460 0.079 0.000 1.241 185 Y HN 0.570 nan 8.280 nan 0.000 0.468 186 Q N 1.519 121.459 119.800 0.234 0.000 2.290 186 Q HA 0.547 4.887 4.340 -0.000 0.000 0.259 186 Q C -1.405 174.566 176.000 -0.048 0.000 0.941 186 Q CA -0.720 55.073 55.803 -0.017 0.000 0.912 186 Q CB 1.182 29.859 28.738 -0.103 0.000 1.244 186 Q HN 0.600 nan 8.270 nan 0.000 0.441 187 V N 7.527 127.364 119.914 -0.128 0.000 2.529 187 V HA 0.152 4.272 4.120 -0.000 0.000 0.292 187 V C -1.768 174.259 176.094 -0.112 0.000 1.028 187 V CA -0.995 61.254 62.300 -0.086 0.000 1.074 187 V CB 0.390 32.154 31.823 -0.099 0.000 0.958 187 V HN 0.841 nan 8.190 nan 0.000 0.481 188 P HA 0.165 nan 4.420 nan 0.000 0.271 188 P C -0.318 176.943 177.300 -0.064 0.000 1.233 188 P CA -0.234 62.824 63.100 -0.069 0.000 0.789 188 P CB 0.645 32.324 31.700 -0.035 0.000 0.951 189 A N 1.040 123.826 122.820 -0.056 0.000 2.466 189 A HA 0.432 4.752 4.320 -0.000 0.000 0.238 189 A C 1.256 178.902 177.584 0.103 0.000 1.074 189 A CA 0.371 52.416 52.037 0.014 0.000 0.774 189 A CB -1.372 17.683 19.000 0.091 0.000 1.015 189 A HN 0.858 nan 8.150 nan 0.000 0.498 190 G N -0.446 108.427 108.800 0.121 0.000 2.369 190 G HA2 0.300 4.260 3.960 -0.000 0.000 0.286 190 G HA3 0.300 4.260 3.960 -0.000 0.000 0.286 190 G C 0.246 175.259 174.900 0.189 0.000 0.938 190 G CA 0.914 46.154 45.100 0.233 0.000 1.271 190 G HN 2.347 nan 8.290 nan 0.000 0.488 191 A N -0.886 121.984 122.820 0.084 0.000 2.609 191 A HA 0.934 5.254 4.320 -0.000 0.000 0.291 191 A C -0.713 176.861 177.584 -0.017 0.000 1.096 191 A CA 0.001 52.077 52.037 0.064 0.000 0.684 191 A CB 2.303 21.324 19.000 0.034 0.000 1.282 191 A HN 1.890 nan 8.150 nan 0.000 0.412 192 V N 1.885 121.811 119.914 0.019 0.000 2.569 192 V HA 0.672 4.792 4.120 -0.000 0.000 0.301 192 V C -0.834 175.281 176.094 0.035 0.000 1.044 192 V CA -0.439 61.830 62.300 -0.052 0.000 0.874 192 V CB 1.412 33.223 31.823 -0.021 0.000 1.002 192 V HN 0.981 nan 8.190 nan 0.000 0.424 193 M N 5.733 125.323 119.600 -0.016 0.000 2.113 193 M HA 0.469 4.949 4.480 -0.000 0.000 0.352 193 M C -0.898 175.416 176.300 0.023 0.000 1.170 193 M CA -0.344 54.955 55.300 -0.001 0.000 1.053 193 M CB 0.903 33.486 32.600 -0.029 0.000 1.601 193 M HN 0.735 nan 8.290 nan 0.000 0.459 194 D N 6.330 126.763 120.400 0.055 0.000 2.373 194 D HA 0.412 5.052 4.640 -0.000 0.000 0.227 194 D C -1.231 175.078 176.300 0.015 0.000 1.091 194 D CA -0.107 53.930 54.000 0.062 0.000 0.840 194 D CB 0.557 41.436 40.800 0.131 0.000 1.060 194 D HN 0.529 nan 8.370 nan 0.000 0.502 195 I N 2.511 123.081 120.570 -0.001 0.000 2.406 195 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 195 I C -0.089 176.011 176.117 -0.028 0.000 0.999 195 I CA -1.036 60.246 61.300 -0.029 0.000 1.124 195 I CB 1.900 39.875 38.000 -0.042 0.000 1.289 195 I HN 0.205 nan 8.210 nan 0.000 0.441 196 D N 5.136 125.512 120.400 -0.041 0.000 2.313 196 D HA 0.153 4.793 4.640 -0.000 0.000 0.239 196 D C 0.686 176.951 176.300 -0.058 0.000 1.142 196 D CA -0.399 53.579 54.000 -0.037 0.000 0.847 196 D CB 1.335 42.115 40.800 -0.033 0.000 1.082 196 D HN 0.401 nan 8.370 nan 0.000 0.480 197 L N 4.415 125.611 121.223 -0.046 0.000 2.131 197 L HA 0.143 4.483 4.340 -0.000 0.000 0.210 197 L C 1.999 178.834 176.870 -0.059 0.000 1.092 197 L CA 2.066 56.874 54.840 -0.053 0.000 0.759 197 L CB -0.724 41.316 42.059 -0.032 0.000 0.903 197 L HN 0.668 nan 8.230 nan 0.000 0.435 198 G N -1.325 107.449 108.800 -0.044 0.000 2.453 198 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 198 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 198 G C 1.552 176.422 174.900 -0.051 0.000 1.201 198 G CA 0.992 46.070 45.100 -0.036 0.000 0.784 198 G HN 0.547 nan 8.290 nan 0.000 0.545 199 S N -0.675 114.988 115.700 -0.061 0.000 2.478 199 S HA 0.340 4.810 4.470 -0.000 0.000 0.222 199 S C 1.925 176.432 174.600 -0.155 0.000 1.008 199 S CA 1.096 59.252 58.200 -0.073 0.000 0.928 199 S CB 0.005 63.176 63.200 -0.048 0.000 0.781 199 S HN 1.657 nan 8.310 nan 0.000 0.518 200 G N 1.811 110.495 108.800 -0.193 0.000 2.148 200 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 200 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 200 G C 0.141 174.867 174.900 -0.289 0.000 0.981 200 G CA 0.315 45.214 45.100 -0.336 0.000 0.670 200 G HN 1.122 nan 8.290 nan 0.000 0.528 201 T N -1.426 113.030 114.554 -0.163 0.000 2.897 201 T HA 0.777 5.127 4.350 -0.000 0.000 0.294 201 T C 0.129 174.770 174.700 -0.098 0.000 1.004 201 T CA 0.354 62.386 62.100 -0.113 0.000 1.106 201 T CB 2.342 71.172 68.868 -0.064 0.000 0.949 201 T HN 1.742 nan 8.240 nan 0.000 0.520 202 A N 2.514 125.277 122.820 -0.095 0.000 2.371 202 A HA 0.718 5.038 4.320 -0.000 0.000 0.311 202 A C -0.749 176.786 177.584 -0.082 0.000 1.068 202 A CA -0.832 51.154 52.037 -0.086 0.000 0.744 202 A CB 1.616 20.550 19.000 -0.110 0.000 1.239 202 A HN 0.833 nan 8.150 nan 0.000 0.435 203 V N 1.995 121.864 119.914 -0.075 0.000 2.531 203 V HA 0.544 4.664 4.120 -0.000 0.000 0.301 203 V C -0.070 175.914 176.094 -0.183 0.000 1.034 203 V CA -0.371 61.849 62.300 -0.133 0.000 0.865 203 V CB 1.949 33.703 31.823 -0.114 0.000 0.995 203 V HN 0.932 nan 8.190 nan 0.000 0.424 204 T N 4.508 118.921 114.554 -0.235 0.000 2.794 204 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 204 T C -0.614 173.906 174.700 -0.301 0.000 0.987 204 T CA -0.370 61.621 62.100 -0.182 0.000 0.993 204 T CB 0.388 69.202 68.868 -0.090 0.000 0.939 204 T HN 0.618 nan 8.240 nan 0.000 0.449 205 H N 2.466 121.545 119.070 0.015 0.000 2.489 205 H HA 0.383 4.939 4.556 -0.000 0.000 0.343 205 H C 0.088 175.453 175.328 0.062 0.000 1.086 205 H CA -0.685 55.386 56.048 0.039 0.000 1.198 205 H CB 1.565 31.348 29.762 0.035 0.000 1.490 205 H HN 0.339 nan 8.280 nan 0.000 0.504 206 R N 0.899 121.504 120.500 0.175 0.000 2.357 206 R HA 0.137 4.477 4.340 -0.000 0.000 0.296 206 R C 0.673 177.101 176.300 0.213 0.000 1.052 206 R CA -0.095 56.105 56.100 0.166 0.000 0.988 206 R CB 0.739 31.113 30.300 0.123 0.000 1.025 206 R HN 0.681 nan 8.270 nan 0.000 0.469 207 T N -1.940 112.769 114.554 0.258 0.000 3.084 207 T HA 0.176 4.526 4.350 -0.000 0.000 0.270 207 T C -0.359 174.583 174.700 0.403 0.000 1.008 207 T CA -0.621 61.660 62.100 0.302 0.000 0.900 207 T CB 0.055 69.119 68.868 0.328 0.000 1.084 207 T HN 0.673 nan 8.240 nan 0.000 0.538 208 W N 0.527 121.919 121.300 0.154 0.000 3.700 208 W HA 0.512 5.172 4.660 -0.000 0.000 0.279 208 W C -2.177 174.430 176.519 0.147 0.000 1.270 208 W CA -0.423 57.014 57.345 0.154 0.000 1.216 208 W CB 0.985 30.573 29.460 0.213 0.000 1.292 208 W HN 0.016 nan 8.180 nan 0.000 0.557 209 T N 5.273 119.355 114.554 -0.787 0.000 2.956 209 T HA 0.536 4.886 4.350 -0.000 0.000 0.312 209 T C -2.855 171.056 174.700 -1.316 0.000 1.151 209 T CA -1.249 60.419 62.100 -0.720 0.000 1.024 209 T CB 1.473 70.170 68.868 -0.285 0.000 1.140 209 T HN 0.151 nan 8.240 nan 0.000 0.473 210 P HA 0.269 nan 4.420 nan 0.000 0.264 210 P C 0.119 177.199 177.300 -0.366 0.000 1.183 210 P CA -0.021 62.726 63.100 -0.589 0.000 0.763 210 P CB 0.301 31.945 31.700 -0.094 0.000 0.807 211 G N 2.077 110.722 108.800 -0.259 0.000 2.441 211 G HA2 0.189 4.149 3.960 -0.000 0.000 0.243 211 G HA3 0.189 4.149 3.960 -0.000 0.000 0.243 211 G C 0.591 175.436 174.900 -0.093 0.000 1.281 211 G CA -0.418 44.588 45.100 -0.156 0.000 0.854 211 G HN 0.501 nan 8.290 nan 0.000 0.560 212 L N 1.402 122.581 121.223 -0.073 0.000 2.515 212 L HA 0.147 4.487 4.340 -0.000 0.000 0.223 212 L C 1.743 178.595 176.870 -0.030 0.000 1.079 212 L CA 0.194 55.008 54.840 -0.043 0.000 0.857 212 L CB -0.114 41.921 42.059 -0.039 0.000 1.050 212 L HN 0.605 nan 8.230 nan 0.000 0.476 213 S N 0.127 115.807 115.700 -0.032 0.000 2.652 213 S HA 0.533 5.003 4.470 -0.000 0.000 0.270 213 S C -0.004 174.585 174.600 -0.019 0.000 1.243 213 S CA -0.814 57.372 58.200 -0.023 0.000 0.999 213 S CB 1.695 64.882 63.200 -0.022 0.000 0.973 213 S HN 0.038 nan 8.310 nan 0.000 0.544 214 R N 0.656 121.147 120.500 -0.014 0.000 2.711 214 R HA 0.500 4.840 4.340 -0.000 0.000 0.284 214 R C -0.391 175.905 176.300 -0.006 0.000 0.968 214 R CA -0.724 55.370 56.100 -0.010 0.000 0.924 214 R CB 1.516 31.809 30.300 -0.011 0.000 1.162 214 R HN 0.846 nan 8.270 nan 0.000 0.465 215 R N 1.999 122.498 120.500 -0.001 0.000 2.532 215 R HA 0.526 4.866 4.340 -0.000 0.000 0.295 215 R C -0.510 175.794 176.300 0.007 0.000 0.968 215 R CA -0.515 55.587 56.100 0.004 0.000 0.916 215 R CB 0.927 31.232 30.300 0.008 0.000 1.124 215 R HN 0.550 nan 8.270 nan 0.000 0.463 216 I N 5.733 126.307 120.570 0.007 0.000 2.354 216 I HA 0.366 4.536 4.170 -0.000 0.000 0.292 216 I C -0.650 175.476 176.117 0.016 0.000 0.989 216 I CA -0.653 60.652 61.300 0.008 0.000 1.188 216 I CB 1.489 39.489 38.000 0.001 0.000 1.342 216 I HN 0.439 nan 8.210 nan 0.000 0.457 217 L N 7.359 128.597 121.223 0.026 0.000 2.466 217 L HA 0.525 4.865 4.340 -0.000 0.000 0.258 217 L C -2.426 174.472 176.870 0.046 0.000 0.973 217 L CA -1.750 53.112 54.840 0.036 0.000 0.826 217 L CB 2.770 44.857 42.059 0.046 0.000 1.372 217 L HN 0.366 nan 8.230 nan 0.000 0.409 218 P HA 0.115 nan 4.420 nan 0.000 0.272 218 P C 0.131 177.490 177.300 0.098 0.000 1.223 218 P CA -0.189 62.944 63.100 0.054 0.000 0.784 218 P CB 1.113 32.840 31.700 0.045 0.000 0.923 219 E N 1.709 121.984 120.200 0.126 0.000 2.055 219 E HA -0.248 4.102 4.350 -0.000 0.000 0.209 219 E C 2.161 178.897 176.600 0.228 0.000 1.036 219 E CA 2.079 58.634 56.400 0.258 0.000 0.849 219 E CB -0.867 29.011 29.700 0.296 0.000 0.767 219 E HN 0.751 nan 8.360 nan 0.000 0.461 220 G N 1.043 109.936 108.800 0.155 0.000 2.529 220 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.219 220 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.219 220 G C 1.292 176.240 174.900 0.079 0.000 1.177 220 G CA 1.316 46.479 45.100 0.106 0.000 0.773 220 G HN 0.297 nan 8.290 nan 0.000 0.573 221 E N 0.536 120.780 120.200 0.072 0.000 2.106 221 E HA 0.044 4.394 4.350 -0.000 0.000 0.192 221 E C 2.959 179.594 176.600 0.058 0.000 0.984 221 E CA 0.624 57.056 56.400 0.054 0.000 0.806 221 E CB -0.195 29.532 29.700 0.045 0.000 0.750 221 E HN 0.425 nan 8.360 nan 0.000 0.458 222 A N 1.140 124.011 122.820 0.085 0.000 1.877 222 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 222 A C 2.531 180.151 177.584 0.060 0.000 1.186 222 A CA 1.268 53.359 52.037 0.089 0.000 0.620 222 A CB -0.750 18.339 19.000 0.149 0.000 0.822 222 A HN 0.117 nan 8.150 nan 0.000 0.443 223 V N -0.182 119.766 119.914 0.056 0.000 2.407 223 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 223 V C 3.027 179.108 176.094 -0.022 0.000 1.055 223 V CA 1.910 64.190 62.300 -0.033 0.000 1.049 223 V CB -1.182 30.596 31.823 -0.075 0.000 0.662 223 V HN 0.624 nan 8.190 nan 0.000 0.455 224 A N -0.046 122.778 122.820 0.007 0.000 1.898 224 A HA -0.058 4.261 4.320 -0.000 0.000 0.216 224 A C 2.429 180.016 177.584 0.005 0.000 1.181 224 A CA 1.917 53.957 52.037 0.005 0.000 0.620 224 A CB -0.741 18.268 19.000 0.015 0.000 0.819 224 A HN 0.547 nan 8.150 nan 0.000 0.442 225 A N -0.499 122.329 122.820 0.013 0.000 1.902 225 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 225 A C 2.233 179.821 177.584 0.007 0.000 1.181 225 A CA 1.802 53.846 52.037 0.012 0.000 0.623 225 A CB -0.965 18.047 19.000 0.020 0.000 0.818 225 A HN 0.378 nan 8.150 nan 0.000 0.443 226 V N 0.149 120.067 119.914 0.007 0.000 2.295 226 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 226 V C 2.693 178.788 176.094 0.001 0.000 1.049 226 V CA 2.417 64.722 62.300 0.008 0.000 1.024 226 V CB -0.830 30.994 31.823 0.002 0.000 0.648 226 V HN 0.646 nan 8.190 nan 0.000 0.447 227 R N 1.129 121.622 120.500 -0.012 0.000 2.083 227 R HA -0.132 4.207 4.340 -0.000 0.000 0.237 227 R C 2.163 178.455 176.300 -0.013 0.000 1.137 227 R CA 2.121 58.212 56.100 -0.015 0.000 0.951 227 R CB -1.138 29.150 30.300 -0.021 0.000 0.851 227 R HN 0.447 nan 8.270 nan 0.000 0.434 228 A N 0.145 122.960 122.820 -0.008 0.000 1.902 228 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 228 A C 2.398 179.975 177.584 -0.013 0.000 1.181 228 A CA 1.963 53.995 52.037 -0.008 0.000 0.623 228 A CB -1.140 17.859 19.000 -0.002 0.000 0.818 228 A HN 0.503 nan 8.150 nan 0.000 0.443 229 A N -0.546 122.267 122.820 -0.012 0.000 1.858 229 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 229 A C 2.151 179.712 177.584 -0.039 0.000 1.190 229 A CA 1.766 53.792 52.037 -0.018 0.000 0.617 229 A CB -0.715 18.280 19.000 -0.009 0.000 0.827 229 A HN 0.681 nan 8.150 nan 0.000 0.443 230 L N -0.136 121.060 121.223 -0.045 0.000 2.046 230 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 230 L C 2.272 179.086 176.870 -0.093 0.000 1.077 230 L CA 2.226 57.009 54.840 -0.094 0.000 0.747 230 L CB -0.590 41.416 42.059 -0.088 0.000 0.896 230 L HN 0.384 nan 8.230 nan 0.000 0.432 231 E N -0.099 120.068 120.200 -0.055 0.000 2.085 231 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 231 E C 2.184 178.758 176.600 -0.043 0.000 0.994 231 E CA 1.469 57.843 56.400 -0.042 0.000 0.801 231 E CB -0.195 29.492 29.700 -0.021 0.000 0.743 231 E HN 0.553 nan 8.360 nan 0.000 0.453 232 K N 0.532 120.909 120.400 -0.038 0.000 2.025 232 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 232 K C 2.136 178.705 176.600 -0.052 0.000 1.049 232 K CA 1.137 57.405 56.287 -0.030 0.000 0.933 232 K CB -0.079 32.411 32.500 -0.018 0.000 0.714 232 K HN 0.043 nan 8.250 nan 0.000 0.438 233 A N 0.687 123.459 122.820 -0.081 0.000 1.908 233 A HA -0.116 4.203 4.320 -0.000 0.000 0.218 233 A C 2.217 179.693 177.584 -0.181 0.000 1.181 233 A CA 1.707 53.662 52.037 -0.137 0.000 0.627 233 A CB -0.624 18.287 19.000 -0.147 0.000 0.818 233 A HN 0.189 nan 8.150 nan 0.000 0.445 234 V N -0.300 119.527 119.914 -0.145 0.000 2.358 234 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 234 V C 3.029 179.078 176.094 -0.075 0.000 1.047 234 V CA 1.740 63.964 62.300 -0.126 0.000 1.035 234 V CB -1.169 30.591 31.823 -0.106 0.000 0.658 234 V HN 0.612 nan 8.190 nan 0.000 0.452 235 A N -0.715 122.075 122.820 -0.050 0.000 1.902 235 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 235 A C 2.152 179.740 177.584 0.006 0.000 1.181 235 A CA 1.886 53.914 52.037 -0.016 0.000 0.623 235 A CB -0.497 18.497 19.000 -0.009 0.000 0.818 235 A HN 0.608 nan 8.150 nan 0.000 0.443 236 Q N -1.046 118.753 119.800 -0.003 0.000 2.291 236 Q HA -0.073 4.267 4.340 -0.000 0.000 0.205 236 Q C 1.917 177.994 176.000 0.129 0.000 0.970 236 Q CA 1.076 56.924 55.803 0.075 0.000 0.876 236 Q CB -0.032 28.760 28.738 0.091 0.000 0.935 236 Q HN 0.622 nan 8.270 nan 0.000 0.455 237 R N -0.031 120.460 120.500 -0.013 0.000 2.290 237 R HA 0.071 4.411 4.340 -0.000 0.000 0.197 237 R C 0.264 176.629 176.300 0.109 0.000 0.913 237 R CA 0.031 56.160 56.100 0.048 0.000 1.040 237 R CB 0.705 30.920 30.300 -0.141 0.000 0.992 237 R HN 0.040 nan 8.270 nan 0.000 0.500 238 V N -0.449 119.505 119.914 0.067 0.000 2.439 238 V HA 0.380 4.500 4.120 -0.000 0.000 0.282 238 V C 0.036 176.172 176.094 0.070 0.000 1.039 238 V CA -0.769 61.570 62.300 0.064 0.000 0.913 238 V CB 1.645 33.486 31.823 0.030 0.000 0.983 238 V HN -0.089 nan 8.190 nan 0.000 0.460 239 T N 7.258 121.857 114.554 0.074 0.000 2.884 239 T HA 0.360 4.710 4.350 -0.000 0.000 0.298 239 T C -2.366 172.355 174.700 0.036 0.000 0.998 239 T CA -0.461 61.673 62.100 0.058 0.000 1.124 239 T CB 0.815 69.718 68.868 0.059 0.000 0.931 239 T HN 0.724 nan 8.240 nan 0.000 0.531 240 P HA 0.251 nan 4.420 nan 0.000 0.267 240 P C 1.114 178.422 177.300 0.012 0.000 1.205 240 P CA 0.715 63.824 63.100 0.015 0.000 0.765 240 P CB 0.364 32.071 31.700 0.012 0.000 0.828 241 G N 2.658 111.462 108.800 0.007 0.000 2.320 241 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 241 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 241 G C 0.138 175.044 174.900 0.010 0.000 1.033 241 G CA 0.314 45.418 45.100 0.005 0.000 0.620 241 G HN 0.668 nan 8.290 nan 0.000 0.517 242 D N 1.178 121.590 120.400 0.019 0.000 2.225 242 D HA 0.561 5.201 4.640 -0.000 0.000 0.248 242 D C 0.341 176.656 176.300 0.026 0.000 1.096 242 D CA 0.046 54.063 54.000 0.028 0.000 0.863 242 D CB 0.843 41.668 40.800 0.042 0.000 1.156 242 D HN 0.030 nan 8.370 nan 0.000 0.450 243 T N 6.351 120.919 114.554 0.024 0.000 2.761 243 T HA 0.295 4.645 4.350 -0.000 0.000 0.296 243 T C -2.108 172.615 174.700 0.039 0.000 0.934 243 T CA -0.978 61.134 62.100 0.021 0.000 1.091 243 T CB 1.139 70.017 68.868 0.017 0.000 0.896 243 T HN 0.414 nan 8.240 nan 0.000 0.515 244 P HA 0.363 nan 4.420 nan 0.000 0.276 244 P C -0.968 176.363 177.300 0.052 0.000 1.252 244 P CA -0.830 62.302 63.100 0.053 0.000 0.802 244 P CB 0.884 32.615 31.700 0.051 0.000 1.035 245 L N 1.712 122.965 121.223 0.049 0.000 2.313 245 L HA 0.449 4.789 4.340 -0.000 0.000 0.283 245 L C -1.049 175.850 176.870 0.048 0.000 1.013 245 L CA -0.636 54.230 54.840 0.042 0.000 0.816 245 L CB 1.496 43.564 42.059 0.014 0.000 1.236 245 L HN 0.048 nan 8.230 nan 0.000 0.419 246 V N 5.542 125.494 119.914 0.063 0.000 2.448 246 V HA 0.360 4.480 4.120 -0.000 0.000 0.295 246 V C -0.276 175.870 176.094 0.087 0.000 1.025 246 V CA -0.823 61.520 62.300 0.073 0.000 0.859 246 V CB 1.995 33.863 31.823 0.075 0.000 0.988 246 V HN 0.605 nan 8.190 nan 0.000 0.431 247 V N 4.419 124.389 119.914 0.093 0.000 2.381 247 V HA 0.414 4.534 4.120 -0.000 0.000 0.257 247 V C -0.239 175.918 176.094 0.105 0.000 1.057 247 V CA -0.188 62.165 62.300 0.089 0.000 1.013 247 V CB 0.465 32.338 31.823 0.083 0.000 1.069 247 V HN 0.586 nan 8.190 nan 0.000 0.484 248 L N 5.344 126.642 121.223 0.124 0.000 2.307 248 L HA 0.626 4.966 4.340 -0.000 0.000 0.282 248 L C 1.120 178.063 176.870 0.123 0.000 1.051 248 L CA 1.135 56.047 54.840 0.120 0.000 0.804 248 L CB 2.005 44.138 42.059 0.123 0.000 1.197 248 L HN 0.870 nan 8.230 nan 0.000 0.431 249 S N 1.310 117.060 115.700 0.083 0.000 2.604 249 S HA 0.379 4.849 4.470 -0.000 0.000 0.235 249 S C 1.090 175.716 174.600 0.044 0.000 1.043 249 S CA 0.272 58.513 58.200 0.069 0.000 0.997 249 S CB 0.361 63.582 63.200 0.035 0.000 0.956 249 S HN 1.424 nan 8.310 nan 0.000 0.535 250 G N 0.724 109.540 108.800 0.027 0.000 2.217 250 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.246 250 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.246 250 G C 0.544 175.435 174.900 -0.014 0.000 0.990 250 G CA -0.107 44.994 45.100 0.001 0.000 0.627 250 G HN 1.126 nan 8.290 nan 0.000 0.522 251 G N -0.447 108.346 108.800 -0.012 0.000 2.599 251 G HA2 0.530 4.490 3.960 -0.000 0.000 0.264 251 G HA3 0.530 4.490 3.960 -0.000 0.000 0.264 251 G C 1.138 176.025 174.900 -0.021 0.000 1.200 251 G CA 0.146 45.229 45.100 -0.028 0.000 0.896 251 G HN 0.734 nan 8.290 nan 0.000 0.536 252 I N -0.119 120.430 120.570 -0.035 0.000 2.286 252 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 252 I C 1.977 178.102 176.117 0.014 0.000 1.115 252 I CA 1.605 62.888 61.300 -0.027 0.000 1.392 252 I CB -0.178 37.792 38.000 -0.051 0.000 1.065 252 I HN 0.476 nan 8.210 nan 0.000 0.418 253 D N 0.286 120.677 120.400 -0.015 0.000 2.088 253 D HA -0.202 4.438 4.640 -0.000 0.000 0.191 253 D C 2.448 178.911 176.300 0.270 0.000 0.992 253 D CA 2.203 56.228 54.000 0.042 0.000 0.831 253 D CB -0.844 39.862 40.800 -0.157 0.000 0.973 253 D HN 0.514 nan 8.370 nan 0.000 0.447 254 S N 0.039 115.837 115.700 0.164 0.000 2.419 254 S HA -0.087 4.383 4.470 -0.000 0.000 0.233 254 S C 2.101 176.765 174.600 0.107 0.000 1.016 254 S CA 1.242 59.536 58.200 0.156 0.000 0.974 254 S CB -0.258 63.009 63.200 0.112 0.000 0.786 254 S HN 0.029 nan 8.310 nan 0.000 0.492 255 S N 1.554 117.299 115.700 0.074 0.000 2.387 255 S HA 0.139 4.609 4.470 -0.000 0.000 0.226 255 S C 2.109 176.735 174.600 0.044 0.000 1.026 255 S CA 0.851 59.073 58.200 0.036 0.000 0.972 255 S CB -0.929 62.270 63.200 -0.002 0.000 0.814 255 S HN 0.757 nan 8.310 nan 0.000 0.477 256 G N 1.318 110.168 108.800 0.085 0.000 2.418 256 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 256 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 256 G C 1.444 176.368 174.900 0.041 0.000 1.158 256 G CA 0.913 46.063 45.100 0.083 0.000 0.771 256 G HN 0.406 nan 8.290 nan 0.000 0.545 257 V N 1.545 121.485 119.914 0.042 0.000 2.343 257 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 257 V C 3.324 179.422 176.094 0.006 0.000 1.051 257 V CA 1.998 64.274 62.300 -0.040 0.000 1.036 257 V CB -0.772 31.030 31.823 -0.035 0.000 0.654 257 V HN 0.478 nan 8.190 nan 0.000 0.451 258 A N -0.044 122.800 122.820 0.040 0.000 1.902 258 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 258 A C 2.431 180.056 177.584 0.070 0.000 1.181 258 A CA 2.131 54.202 52.037 0.056 0.000 0.623 258 A CB -0.775 18.254 19.000 0.048 0.000 0.818 258 A HN 0.569 nan 8.150 nan 0.000 0.443 259 A N -0.931 121.917 122.820 0.047 0.000 1.877 259 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 259 A C 2.328 179.958 177.584 0.077 0.000 1.186 259 A CA 1.718 53.789 52.037 0.058 0.000 0.620 259 A CB -1.293 17.726 19.000 0.032 0.000 0.822 259 A HN 0.610 nan 8.150 nan 0.000 0.443 260 C N -1.024 118.298 119.300 0.035 0.000 2.429 260 C HA 0.076 4.536 4.460 -0.000 0.000 0.277 260 C C 3.321 178.328 174.990 0.028 0.000 1.262 260 C CA 0.753 59.781 59.018 0.016 0.000 1.733 260 C CB -1.355 26.366 27.740 -0.031 0.000 2.010 260 C HN 0.701 nan 8.230 nan 0.000 0.483 261 A N -0.292 122.548 122.820 0.034 0.000 1.933 261 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 261 A C 1.861 179.477 177.584 0.053 0.000 1.175 261 A CA 2.143 54.200 52.037 0.034 0.000 0.628 261 A CB -0.977 18.044 19.000 0.036 0.000 0.814 261 A HN 0.778 nan 8.150 nan 0.000 0.444 262 H N -0.515 118.560 119.070 0.008 0.000 2.353 262 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 262 H C 2.236 177.568 175.328 0.007 0.000 1.090 262 H CA 1.939 57.993 56.048 0.011 0.000 1.327 262 H CB -0.072 29.700 29.762 0.017 0.000 1.383 262 H HN 0.430 nan 8.280 nan 0.000 0.508 263 R N -0.164 120.391 120.500 0.092 0.000 2.092 263 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 263 R C 2.176 178.465 176.300 -0.019 0.000 1.119 263 R CA 1.056 57.177 56.100 0.036 0.000 0.970 263 R CB -0.257 30.076 30.300 0.054 0.000 0.864 263 R HN 0.402 nan 8.270 nan 0.000 0.440 264 A N -0.071 122.740 122.820 -0.015 0.000 2.016 264 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 264 A C 1.906 179.468 177.584 -0.036 0.000 1.162 264 A CA 1.272 53.298 52.037 -0.020 0.000 0.662 264 A CB -0.084 18.910 19.000 -0.010 0.000 0.812 264 A HN 0.468 nan 8.150 nan 0.000 0.450 265 A N -2.550 120.231 122.820 -0.066 0.000 2.288 265 A HA 0.454 4.774 4.320 -0.000 0.000 0.216 265 A C 1.837 179.339 177.584 -0.136 0.000 1.199 265 A CA 1.093 53.084 52.037 -0.077 0.000 0.891 265 A CB -0.398 18.568 19.000 -0.056 0.000 0.923 265 A HN 1.710 nan 8.150 nan 0.000 0.500 266 G N -0.895 107.771 108.800 -0.224 0.000 2.212 266 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.266 266 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.266 266 G C 0.023 174.664 174.900 -0.431 0.000 0.978 266 G CA 0.810 45.745 45.100 -0.276 0.000 0.632 266 G HN 0.640 nan 8.290 nan 0.000 0.537 267 E N -1.680 118.268 120.200 -0.420 0.000 2.423 267 E HA 0.736 5.086 4.350 -0.000 0.000 0.280 267 E C -1.556 174.979 176.600 -0.109 0.000 1.030 267 E CA -0.898 55.340 56.400 -0.271 0.000 0.812 267 E CB 2.252 31.902 29.700 -0.084 0.000 1.313 267 E HN 0.485 nan 8.360 nan 0.000 0.456 268 L N 1.134 122.411 121.223 0.090 0.000 2.549 268 L HA 0.426 4.765 4.340 -0.000 0.000 0.259 268 L C -2.092 174.850 176.870 0.120 0.000 0.934 268 L CA -0.421 54.499 54.840 0.133 0.000 0.865 268 L CB 2.103 44.310 42.059 0.246 0.000 1.352 268 L HN 0.394 nan 8.230 nan 0.000 0.410 269 D N 2.235 122.687 120.400 0.088 0.000 2.168 269 D HA 0.732 5.372 4.640 -0.000 0.000 0.246 269 D C -0.369 175.988 176.300 0.094 0.000 1.050 269 D CA 0.129 54.176 54.000 0.079 0.000 0.857 269 D CB 1.970 42.800 40.800 0.050 0.000 1.169 269 D HN 0.695 nan 8.370 nan 0.000 0.453 270 T N -2.042 112.591 114.554 0.131 0.000 2.907 270 T HA 0.787 5.137 4.350 -0.000 0.000 0.290 270 T C -0.607 174.158 174.700 0.107 0.000 1.066 270 T CA -0.984 61.225 62.100 0.182 0.000 1.012 270 T CB 1.819 70.862 68.868 0.292 0.000 1.184 270 T HN 0.175 nan 8.240 nan 0.000 0.522 271 V N 0.086 120.048 119.914 0.081 0.000 3.000 271 V HA 0.692 4.812 4.120 -0.000 0.000 0.300 271 V C -1.611 174.496 176.094 0.023 0.000 1.251 271 V CA -0.371 61.863 62.300 -0.110 0.000 0.972 271 V CB 2.360 34.127 31.823 -0.095 0.000 1.065 271 V HN 1.230 nan 8.190 nan 0.000 0.431 272 S N 6.932 122.610 115.700 -0.037 0.000 2.538 272 S HA 0.700 5.170 4.470 -0.000 0.000 0.288 272 S C -0.831 173.896 174.600 0.211 0.000 1.108 272 S CA -0.525 57.776 58.200 0.168 0.000 0.971 272 S CB 1.720 65.149 63.200 0.381 0.000 1.041 272 S HN 0.886 nan 8.310 nan 0.000 0.483 273 M N 2.725 122.461 119.600 0.226 0.000 2.472 273 M HA 0.766 5.246 4.480 -0.000 0.000 0.331 273 M C -0.363 176.057 176.300 0.200 0.000 1.170 273 M CA -0.135 55.284 55.300 0.199 0.000 1.009 273 M CB 1.124 33.749 32.600 0.041 0.000 1.672 273 M HN 0.848 nan 8.290 nan 0.000 0.453 274 G N 1.875 110.771 108.800 0.159 0.000 2.684 274 G HA2 0.671 4.631 3.960 -0.000 0.000 0.290 274 G HA3 0.671 4.631 3.960 -0.000 0.000 0.290 274 G C -1.093 173.785 174.900 -0.037 0.000 1.425 274 G CA -0.296 44.727 45.100 -0.127 0.000 0.822 274 G HN 0.889 nan 8.290 nan 0.000 0.482 275 T N -2.653 111.848 114.554 -0.088 0.000 2.807 275 T HA 0.526 4.876 4.350 -0.000 0.000 0.277 275 T C 0.391 175.069 174.700 -0.037 0.000 1.006 275 T CA 0.187 62.267 62.100 -0.032 0.000 1.006 275 T CB 1.873 70.728 68.868 -0.021 0.000 1.274 275 T HN 0.418 nan 8.240 nan 0.000 0.569 276 D N -0.705 119.689 120.400 -0.011 0.000 2.349 276 D HA 0.091 4.731 4.640 -0.000 0.000 0.224 276 D C 1.379 177.670 176.300 -0.016 0.000 1.029 276 D CA 0.212 54.209 54.000 -0.006 0.000 0.879 276 D CB -0.586 40.219 40.800 0.008 0.000 0.906 276 D HN 0.544 nan 8.370 nan 0.000 0.528 277 T N -0.856 113.684 114.554 -0.024 0.000 2.925 277 T HA 0.111 4.461 4.350 -0.000 0.000 0.245 277 T C 0.931 175.602 174.700 -0.047 0.000 1.025 277 T CA 0.826 62.913 62.100 -0.022 0.000 1.149 277 T CB 0.045 68.909 68.868 -0.007 0.000 0.866 277 T HN 0.380 nan 8.240 nan 0.000 0.437 278 S N 1.438 117.090 115.700 -0.079 0.000 2.596 278 S HA 0.694 5.164 4.470 -0.000 0.000 0.270 278 S C -1.608 172.858 174.600 -0.223 0.000 1.155 278 S CA -1.091 57.036 58.200 -0.123 0.000 0.827 278 S CB 2.430 65.578 63.200 -0.086 0.000 1.130 278 S HN 0.598 nan 8.310 nan 0.000 0.467 279 N N -0.721 117.800 118.700 -0.298 0.000 3.227 279 N HA 0.382 5.122 4.740 -0.000 0.000 0.241 279 N C -1.594 173.713 175.510 -0.338 0.000 1.480 279 N CA -0.930 51.823 53.050 -0.496 0.000 0.886 279 N CB 0.641 38.405 38.487 -1.205 0.000 1.406 279 N HN 0.662 nan 8.380 nan 0.000 0.514 280 E N -0.849 119.171 120.200 -0.300 0.000 2.968 280 E HA 0.242 4.592 4.350 -0.000 0.000 0.202 280 E C -0.117 176.538 176.600 0.092 0.000 0.979 280 E CA -0.317 56.035 56.400 -0.080 0.000 1.192 280 E CB 0.005 29.688 29.700 -0.029 0.000 1.059 280 E HN 0.340 nan 8.360 nan 0.000 0.470 281 F N 1.172 121.140 119.950 0.030 0.000 2.126 281 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 281 F C 2.495 178.311 175.800 0.027 0.000 1.096 281 F CA 1.090 59.123 58.000 0.055 0.000 1.255 281 F CB -0.554 38.480 39.000 0.057 0.000 0.997 281 F HN 0.150 nan 8.300 nan 0.000 0.479 282 R N 1.167 121.783 120.500 0.194 0.000 2.070 282 R HA -0.181 4.159 4.340 -0.000 0.000 0.233 282 R C 1.938 178.270 176.300 0.052 0.000 1.137 282 R CA 1.901 58.060 56.100 0.098 0.000 0.945 282 R CB -0.515 29.819 30.300 0.058 0.000 0.845 282 R HN 0.197 nan 8.270 nan 0.000 0.430 283 E N 0.337 120.560 120.200 0.038 0.000 2.085 283 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 283 E C 1.878 178.478 176.600 0.001 0.000 0.994 283 E CA 1.659 58.064 56.400 0.009 0.000 0.801 283 E CB -0.328 29.372 29.700 0.000 0.000 0.743 283 E HN 0.478 nan 8.360 nan 0.000 0.453 284 A N 0.734 123.571 122.820 0.029 0.000 1.930 284 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 284 A C 2.124 179.625 177.584 -0.139 0.000 1.175 284 A CA 1.612 53.634 52.037 -0.025 0.000 0.627 284 A CB -0.372 18.668 19.000 0.067 0.000 0.815 284 A HN 0.075 nan 8.150 nan 0.000 0.443 285 R N 0.460 120.909 120.500 -0.085 0.000 2.105 285 R HA -0.058 4.282 4.340 -0.000 0.000 0.239 285 R C 2.069 178.320 176.300 -0.081 0.000 1.135 285 R CA 1.885 57.919 56.100 -0.110 0.000 0.967 285 R CB -0.896 29.394 30.300 -0.016 0.000 0.861 285 R HN 0.389 nan 8.270 nan 0.000 0.442 286 A N -0.438 122.354 122.820 -0.047 0.000 1.940 286 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 286 A C 2.261 179.824 177.584 -0.034 0.000 1.176 286 A CA 1.895 53.913 52.037 -0.032 0.000 0.631 286 A CB -0.554 18.426 19.000 -0.032 0.000 0.814 286 A HN 0.201 nan 8.150 nan 0.000 0.446 287 V N 0.092 119.968 119.914 -0.064 0.000 2.446 287 V HA -0.167 3.953 4.120 -0.000 0.000 0.244 287 V C 2.690 178.746 176.094 -0.062 0.000 1.039 287 V CA 1.588 63.855 62.300 -0.055 0.000 1.045 287 V CB -0.603 31.180 31.823 -0.067 0.000 0.681 287 V HN 0.591 nan 8.190 nan 0.000 0.459 288 V N -1.153 118.673 119.914 -0.146 0.000 2.490 288 V HA -0.225 3.894 4.120 -0.000 0.000 0.250 288 V C 1.940 177.985 176.094 -0.081 0.000 1.061 288 V CA 2.408 64.612 62.300 -0.160 0.000 1.064 288 V CB -0.789 30.832 31.823 -0.336 0.000 0.670 288 V HN 0.459 nan 8.190 nan 0.000 0.461 289 D N -0.412 119.956 120.400 -0.054 0.000 2.183 289 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 289 D C 2.019 178.310 176.300 -0.015 0.000 0.962 289 D CA 1.770 55.754 54.000 -0.026 0.000 0.849 289 D CB -0.316 40.477 40.800 -0.012 0.000 0.978 289 D HN 0.745 nan 8.370 nan 0.000 0.488 290 H N -0.225 118.793 119.070 -0.087 0.000 2.389 290 H HA -0.008 4.547 4.556 -0.000 0.000 0.299 290 H C 1.359 176.609 175.328 -0.131 0.000 1.081 290 H CA 1.255 57.250 56.048 -0.090 0.000 1.345 290 H CB 0.112 29.825 29.762 -0.083 0.000 1.393 290 H HN -0.030 nan 8.280 nan 0.000 0.520 291 L N 0.084 121.238 121.223 -0.115 0.000 2.616 291 L HA 0.232 4.572 4.340 -0.000 0.000 0.229 291 L C 0.305 177.006 176.870 -0.282 0.000 1.110 291 L CA 0.342 54.979 54.840 -0.339 0.000 0.884 291 L CB 0.068 41.858 42.059 -0.448 0.000 1.115 291 L HN 0.151 nan 8.230 nan 0.000 0.481 292 R N 0.250 120.675 120.500 -0.124 0.000 3.152 292 R HA -0.141 4.199 4.340 -0.000 0.000 0.252 292 R C 0.099 176.411 176.300 0.019 0.000 0.930 292 R CA 0.734 56.810 56.100 -0.041 0.000 0.642 292 R CB -2.534 27.754 30.300 -0.020 0.000 1.205 292 R HN 0.479 nan 8.270 nan 0.000 0.452 293 T N -2.492 112.073 114.554 0.017 0.000 2.912 293 T HA 0.499 4.849 4.350 -0.000 0.000 0.280 293 T C 0.295 175.047 174.700 0.087 0.000 0.989 293 T CA -1.157 60.991 62.100 0.080 0.000 0.995 293 T CB 1.922 70.840 68.868 0.083 0.000 1.077 293 T HN 0.339 nan 8.240 nan 0.000 0.531 294 R N 1.336 121.894 120.500 0.097 0.000 2.248 294 R HA 0.302 4.642 4.340 -0.000 0.000 0.337 294 R C -0.835 175.534 176.300 0.116 0.000 1.106 294 R CA -0.154 55.996 56.100 0.082 0.000 0.959 294 R CB -1.363 28.971 30.300 0.057 0.000 1.075 294 R HN 0.847 nan 8.270 nan 0.000 0.480 295 H N 2.174 121.237 119.070 -0.011 0.000 2.502 295 H HA 0.590 5.146 4.556 -0.000 0.000 0.338 295 H C -0.845 174.450 175.328 -0.055 0.000 1.155 295 H CA -0.586 55.444 56.048 -0.030 0.000 1.237 295 H CB 0.854 30.594 29.762 -0.037 0.000 1.534 295 H HN 0.579 nan 8.280 nan 0.000 0.523 296 R N 2.860 122.942 120.500 -0.697 0.000 2.564 296 R HA 0.273 4.613 4.340 -0.000 0.000 0.284 296 R C -1.265 174.615 176.300 -0.700 0.000 1.031 296 R CA -0.654 55.143 56.100 -0.505 0.000 0.904 296 R CB 1.281 31.419 30.300 -0.268 0.000 1.199 296 R HN 0.765 nan 8.270 nan 0.000 0.443 297 E N 4.756 124.628 120.200 -0.547 0.000 2.166 297 E HA 0.406 4.756 4.350 -0.000 0.000 0.275 297 E C -0.580 175.798 176.600 -0.369 0.000 0.941 297 E CA -0.655 55.344 56.400 -0.669 0.000 0.784 297 E CB 2.337 31.375 29.700 -1.104 0.000 1.115 297 E HN 0.407 nan 8.360 nan 0.000 0.399 298 I N 1.978 122.447 120.570 -0.168 0.000 2.466 298 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 298 I C -0.554 175.674 176.117 0.185 0.000 1.026 298 I CA -0.530 60.768 61.300 -0.002 0.000 1.078 298 I CB 2.221 40.214 38.000 -0.011 0.000 1.249 298 I HN 0.372 nan 8.210 nan 0.000 0.429 299 T N 7.242 121.889 114.554 0.155 0.000 2.809 299 T HA 0.533 4.883 4.350 -0.000 0.000 0.296 299 T C -0.280 174.468 174.700 0.080 0.000 1.015 299 T CA -0.345 61.861 62.100 0.177 0.000 0.954 299 T CB 0.642 69.633 68.868 0.204 0.000 0.950 299 T HN 0.462 nan 8.240 nan 0.000 0.450 300 I N 1.453 122.055 120.570 0.055 0.000 2.377 300 I HA 0.651 4.821 4.170 -0.000 0.000 0.293 300 I C -2.911 173.218 176.117 0.019 0.000 0.987 300 I CA -3.144 58.172 61.300 0.026 0.000 1.185 300 I CB 1.484 39.489 38.000 0.009 0.000 1.341 300 I HN 0.231 nan 8.210 nan 0.000 0.455 301 P HA 0.049 nan 4.420 nan 0.000 0.265 301 P C 0.610 177.918 177.300 0.013 0.000 1.187 301 P CA 0.101 63.210 63.100 0.015 0.000 0.766 301 P CB 0.630 32.339 31.700 0.014 0.000 0.820 302 T N 0.593 115.155 114.554 0.015 0.000 2.699 302 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 302 T C 1.833 176.545 174.700 0.021 0.000 1.036 302 T CA 2.221 64.333 62.100 0.019 0.000 1.147 302 T CB -0.697 68.186 68.868 0.026 0.000 0.862 302 T HN 0.535 nan 8.240 nan 0.000 0.446 303 T N 0.736 115.303 114.554 0.022 0.000 2.788 303 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 303 T C 1.926 176.636 174.700 0.016 0.000 1.044 303 T CA 1.791 63.905 62.100 0.025 0.000 1.139 303 T CB -0.235 68.648 68.868 0.025 0.000 0.867 303 T HN 0.400 nan 8.240 nan 0.000 0.454 304 E N 0.299 120.505 120.200 0.009 0.000 2.152 304 E HA 0.046 4.396 4.350 -0.000 0.000 0.192 304 E C 2.088 178.683 176.600 -0.008 0.000 0.983 304 E CA 0.645 57.046 56.400 0.000 0.000 0.818 304 E CB -0.601 29.097 29.700 -0.003 0.000 0.758 304 E HN 0.559 nan 8.360 nan 0.000 0.467 305 L N -0.138 121.082 121.223 -0.006 0.000 1.994 305 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 305 L C 1.889 178.740 176.870 -0.031 0.000 1.071 305 L CA 0.974 55.805 54.840 -0.014 0.000 0.745 305 L CB -0.244 41.813 42.059 -0.004 0.000 0.892 305 L HN 0.271 nan 8.230 nan 0.000 0.431 306 L N -0.092 121.113 121.223 -0.030 0.000 2.191 306 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 306 L C 2.761 179.599 176.870 -0.054 0.000 1.103 306 L CA 1.740 56.538 54.840 -0.069 0.000 0.769 306 L CB -1.849 40.197 42.059 -0.022 0.000 0.908 306 L HN 0.318 nan 8.230 nan 0.000 0.438 307 A N -1.074 121.740 122.820 -0.011 0.000 2.172 307 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 307 A C 2.164 179.781 177.584 0.055 0.000 1.154 307 A CA 0.879 52.926 52.037 0.017 0.000 0.701 307 A CB -0.306 18.709 19.000 0.025 0.000 0.789 307 A HN 0.360 nan 8.150 nan 0.000 0.465 308 Q N -0.629 119.188 119.800 0.028 0.000 2.432 308 Q HA 0.202 4.542 4.340 -0.000 0.000 0.205 308 Q C 1.664 177.717 176.000 0.088 0.000 0.945 308 Q CA 0.234 56.084 55.803 0.078 0.000 0.924 308 Q CB -0.419 28.326 28.738 0.011 0.000 1.016 308 Q HN 0.715 nan 8.270 nan 0.000 0.503 309 L N 1.236 122.446 121.223 -0.021 0.000 1.997 309 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 309 L C -0.642 176.215 176.870 -0.021 0.000 1.074 309 L CA 1.857 56.646 54.840 -0.084 0.000 0.763 309 L CB -1.507 40.435 42.059 -0.197 0.000 0.890 309 L HN 0.292 nan 8.230 nan 0.000 0.434 310 P HA -0.205 nan 4.420 nan 0.000 0.218 310 P C 1.227 178.455 177.300 -0.120 0.000 1.149 310 P CA 1.635 64.667 63.100 -0.113 0.000 0.817 310 P CB -0.074 31.495 31.700 -0.218 0.000 0.785 311 Y N 0.688 120.962 120.300 -0.042 0.000 2.263 311 Y HA -0.031 4.519 4.550 -0.000 0.000 0.292 311 Y C 2.891 178.885 175.900 0.157 0.000 1.130 311 Y CA 1.334 59.469 58.100 0.058 0.000 1.179 311 Y CB -1.149 37.333 38.460 0.036 0.000 0.998 311 Y HN -0.041 nan 8.280 nan 0.000 0.532 312 A N -0.082 122.873 122.820 0.225 0.000 1.873 312 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 312 A C 2.346 180.012 177.584 0.137 0.000 1.186 312 A CA 2.135 54.264 52.037 0.153 0.000 0.616 312 A CB -1.418 17.630 19.000 0.079 0.000 0.823 312 A HN 0.331 nan 8.150 nan 0.000 0.442 313 V N -3.903 116.085 119.914 0.124 0.000 2.407 313 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 313 V C 2.184 178.382 176.094 0.174 0.000 1.055 313 V CA 1.790 64.181 62.300 0.152 0.000 1.049 313 V CB -1.294 30.620 31.823 0.151 0.000 0.662 313 V HN 0.701 nan 8.190 nan 0.000 0.455 314 W N 1.508 122.760 121.300 -0.081 0.000 2.381 314 W HA 0.040 4.700 4.660 -0.000 0.000 0.301 314 W C 2.500 178.973 176.519 -0.077 0.000 1.205 314 W CA 2.396 59.652 57.345 -0.147 0.000 1.285 314 W CB -0.423 28.893 29.460 -0.241 0.000 1.133 314 W HN 0.328 nan 8.180 nan 0.000 0.521 315 A N -0.187 122.669 122.820 0.059 0.000 1.874 315 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 315 A C 2.112 179.647 177.584 -0.081 0.000 1.189 315 A CA 2.268 54.237 52.037 -0.114 0.000 0.615 315 A CB -1.354 17.671 19.000 0.042 0.000 0.830 315 A HN 0.319 nan 8.150 nan 0.000 0.443 316 S N -1.053 114.652 115.700 0.008 0.000 2.436 316 S HA -0.025 4.445 4.470 -0.000 0.000 0.228 316 S C 0.605 175.246 174.600 0.068 0.000 1.014 316 S CA 0.934 59.145 58.200 0.019 0.000 0.950 316 S CB -0.367 62.853 63.200 0.034 0.000 0.784 316 S HN 0.575 nan 8.310 nan 0.000 0.504 317 E N 0.607 120.869 120.200 0.104 0.000 2.476 317 E HA -0.161 4.189 4.350 -0.000 0.000 0.251 317 E C -0.329 176.486 176.600 0.358 0.000 1.130 317 E CA 0.600 57.149 56.400 0.249 0.000 0.736 317 E CB -1.830 27.938 29.700 0.114 0.000 1.298 317 E HN 0.531 nan 8.360 nan 0.000 0.400 318 S N -0.545 115.289 115.700 0.223 0.000 2.638 318 S HA 0.554 5.024 4.470 -0.000 0.000 0.298 318 S C 0.672 175.277 174.600 0.009 0.000 1.111 318 S CA -0.138 58.106 58.200 0.074 0.000 1.027 318 S CB 2.019 65.242 63.200 0.037 0.000 1.064 318 S HN 0.425 nan 8.310 nan 0.000 0.525 319 V N -0.014 119.823 119.914 -0.129 0.000 3.432 319 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 319 V C 0.288 176.323 176.094 -0.097 0.000 1.464 319 V CA -0.291 61.909 62.300 -0.166 0.000 1.046 319 V CB -0.011 31.607 31.823 -0.343 0.000 0.887 319 V HN 0.798 nan 8.190 nan 0.000 0.441 320 D N 2.218 122.579 120.400 -0.066 0.000 2.336 320 D HA 0.243 4.883 4.640 -0.000 0.000 0.249 320 D C -1.639 174.626 176.300 -0.058 0.000 1.213 320 D CA -1.401 52.568 54.000 -0.053 0.000 0.870 320 D CB 2.335 43.116 40.800 -0.032 0.000 1.076 320 D HN 0.127 nan 8.370 nan 0.000 0.483 321 P HA -0.144 nan 4.420 nan 0.000 0.215 321 P C 0.803 178.046 177.300 -0.096 0.000 1.157 321 P CA 0.918 63.991 63.100 -0.046 0.000 0.874 321 P CB 0.377 32.007 31.700 -0.117 0.000 0.790 322 D N -0.898 119.411 120.400 -0.151 0.000 2.117 322 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 322 D C 1.930 177.786 176.300 -0.741 0.000 0.987 322 D CA 1.050 54.808 54.000 -0.403 0.000 0.829 322 D CB -0.471 40.163 40.800 -0.276 0.000 0.961 322 D HN 0.088 nan 8.370 nan 0.000 0.460 323 I N 1.340 121.699 120.570 -0.353 0.000 2.252 323 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 323 I C 2.412 178.469 176.117 -0.100 0.000 1.102 323 I CA 0.555 61.755 61.300 -0.167 0.000 1.385 323 I CB -0.710 37.290 38.000 0.000 0.000 1.064 323 I HN 0.007 nan 8.210 nan 0.000 0.414 324 I N 0.717 121.233 120.570 -0.090 0.000 2.335 324 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 324 I C 2.426 178.508 176.117 -0.059 0.000 1.129 324 I CA 1.301 62.575 61.300 -0.044 0.000 1.402 324 I CB -1.015 36.965 38.000 -0.035 0.000 1.069 324 I HN 0.359 nan 8.210 nan 0.000 0.424 325 E N 0.001 120.124 120.200 -0.129 0.000 2.152 325 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 325 E C 2.237 178.884 176.600 0.078 0.000 0.983 325 E CA 0.857 57.210 56.400 -0.078 0.000 0.818 325 E CB -0.027 29.591 29.700 -0.137 0.000 0.758 325 E HN 0.551 nan 8.360 nan 0.000 0.467 326 Y N -0.282 120.053 120.300 0.059 0.000 2.337 326 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 326 Y C 2.013 177.987 175.900 0.124 0.000 1.123 326 Y CA 0.055 58.244 58.100 0.148 0.000 1.201 326 Y CB 0.228 38.806 38.460 0.198 0.000 1.011 326 Y HN 0.048 nan 8.280 nan 0.000 0.545 327 L N -0.595 120.754 121.223 0.210 0.000 2.341 327 L HA -0.129 4.211 4.340 -0.000 0.000 0.214 327 L C 2.134 179.051 176.870 0.077 0.000 1.115 327 L CA 0.338 55.248 54.840 0.116 0.000 0.820 327 L CB -0.382 41.717 42.059 0.067 0.000 0.944 327 L HN 0.313 nan 8.230 nan 0.000 0.452 328 L N 0.826 122.083 121.223 0.057 0.000 1.971 328 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 328 L C 0.039 176.917 176.870 0.014 0.000 1.072 328 L CA 2.010 56.861 54.840 0.019 0.000 0.758 328 L CB -1.631 40.417 42.059 -0.018 0.000 0.889 328 L HN 0.244 nan 8.230 nan 0.000 0.433 329 P HA -0.183 nan 4.420 nan 0.000 0.217 329 P C 1.886 179.141 177.300 -0.075 0.000 1.150 329 P CA 1.576 64.673 63.100 -0.004 0.000 0.832 329 P CB 0.047 31.765 31.700 0.030 0.000 0.787 330 L N -0.718 120.457 121.223 -0.080 0.000 2.056 330 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 330 L C 2.684 179.335 176.870 -0.364 0.000 1.078 330 L CA 1.855 56.530 54.840 -0.275 0.000 0.749 330 L CB -1.646 40.358 42.059 -0.092 0.000 0.901 330 L HN 0.006 nan 8.230 nan 0.000 0.433 331 T N 0.061 114.594 114.554 -0.036 0.000 2.708 331 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 331 T C 2.032 176.741 174.700 0.015 0.000 1.037 331 T CA 1.405 63.566 62.100 0.102 0.000 1.146 331 T CB -0.288 68.650 68.868 0.117 0.000 0.865 331 T HN 0.437 nan 8.240 nan 0.000 0.435 332 A N 1.314 124.110 122.820 -0.040 0.000 1.908 332 A HA -0.064 4.255 4.320 -0.000 0.000 0.218 332 A C 2.269 179.812 177.584 -0.069 0.000 1.181 332 A CA 1.563 53.568 52.037 -0.053 0.000 0.627 332 A CB -0.910 18.063 19.000 -0.045 0.000 0.818 332 A HN 0.415 nan 8.150 nan 0.000 0.445 333 L N -1.367 119.766 121.223 -0.150 0.000 2.012 333 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 333 L C 2.361 179.157 176.870 -0.123 0.000 1.073 333 L CA 2.077 56.807 54.840 -0.184 0.000 0.748 333 L CB -0.864 41.007 42.059 -0.312 0.000 0.891 333 L HN 0.463 nan 8.230 nan 0.000 0.431 334 Y N 0.190 120.504 120.300 0.024 0.000 2.165 334 Y HA -0.195 4.354 4.550 -0.000 0.000 0.286 334 Y C 2.734 178.702 175.900 0.113 0.000 1.155 334 Y CA 1.603 59.743 58.100 0.066 0.000 1.164 334 Y CB -0.764 37.741 38.460 0.074 0.000 0.978 334 Y HN 0.189 nan 8.280 nan 0.000 0.513 335 R N -0.436 120.178 120.500 0.190 0.000 2.148 335 R HA 0.011 4.351 4.340 -0.000 0.000 0.227 335 R C 2.089 178.429 176.300 0.066 0.000 1.103 335 R CA 0.901 57.060 56.100 0.099 0.000 0.983 335 R CB -0.350 29.943 30.300 -0.012 0.000 0.874 335 R HN 0.265 nan 8.270 nan 0.000 0.451 336 A N 0.593 123.441 122.820 0.047 0.000 2.251 336 A HA 0.102 4.422 4.320 -0.000 0.000 0.209 336 A C 0.391 178.002 177.584 0.045 0.000 1.187 336 A CA -0.130 51.922 52.037 0.026 0.000 0.823 336 A CB 0.106 19.104 19.000 -0.003 0.000 0.846 336 A HN 0.025 nan 8.150 nan 0.000 0.486 337 L N 1.481 122.760 121.223 0.093 0.000 2.453 337 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 337 L C -0.373 176.575 176.870 0.130 0.000 1.182 337 L CA 0.553 55.449 54.840 0.093 0.000 0.858 337 L CB 0.435 42.545 42.059 0.084 0.000 1.120 337 L HN 0.216 nan 8.230 nan 0.000 0.474 338 D N 1.857 122.305 120.400 0.079 0.000 2.299 338 D HA 0.743 5.383 4.640 -0.000 0.000 0.243 338 D C 0.292 176.646 176.300 0.090 0.000 0.982 338 D CA 0.479 54.526 54.000 0.078 0.000 0.924 338 D CB 1.931 42.754 40.800 0.038 0.000 1.238 338 D HN 0.705 nan 8.370 nan 0.000 0.484 339 G N 1.133 109.986 108.800 0.088 0.000 2.526 339 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.250 339 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.250 339 G C -2.491 172.485 174.900 0.125 0.000 1.289 339 G CA -0.852 44.301 45.100 0.089 0.000 0.947 339 G HN 0.507 nan 8.290 nan 0.000 0.517 340 P HA 0.352 nan 4.420 nan 0.000 0.274 340 P C 0.229 177.662 177.300 0.223 0.000 1.256 340 P CA -0.250 62.928 63.100 0.130 0.000 0.795 340 P CB 0.378 32.137 31.700 0.098 0.000 1.038 341 E N 1.514 121.819 120.200 0.175 0.000 2.452 341 E HA 0.056 4.406 4.350 -0.000 0.000 0.261 341 E C -0.261 176.543 176.600 0.341 0.000 0.987 341 E CA -0.141 56.400 56.400 0.235 0.000 0.926 341 E CB 0.394 30.185 29.700 0.151 0.000 0.934 341 E HN 0.270 nan 8.360 nan 0.000 0.452 342 R N 2.094 122.907 120.500 0.522 0.000 2.892 342 R HA 0.400 4.740 4.340 -0.000 0.000 0.265 342 R C -0.338 176.113 176.300 0.252 0.000 1.025 342 R CA -1.159 55.094 56.100 0.255 0.000 0.982 342 R CB 1.360 31.698 30.300 0.064 0.000 1.185 342 R HN 0.653 nan 8.270 nan 0.000 0.484 343 R N 1.824 122.439 120.500 0.192 0.000 2.215 343 R HA 0.447 4.787 4.340 -0.000 0.000 0.336 343 R C -0.639 175.732 176.300 0.119 0.000 0.996 343 R CA -0.243 55.996 56.100 0.231 0.000 0.847 343 R CB 0.278 30.714 30.300 0.226 0.000 1.127 343 R HN 0.531 nan 8.270 nan 0.000 0.465 344 I N 5.523 126.125 120.570 0.053 0.000 2.404 344 I HA 0.295 4.465 4.170 -0.000 0.000 0.293 344 I C -0.338 175.744 176.117 -0.059 0.000 0.992 344 I CA -1.005 60.293 61.300 -0.004 0.000 1.149 344 I CB 1.696 39.691 38.000 -0.010 0.000 1.315 344 I HN 0.389 nan 8.210 nan 0.000 0.446 345 L N 4.960 126.173 121.223 -0.017 0.000 2.331 345 L HA 0.618 4.958 4.340 -0.000 0.000 0.275 345 L C 0.294 177.177 176.870 0.022 0.000 1.022 345 L CA -0.144 54.671 54.840 -0.042 0.000 0.812 345 L CB 1.883 43.928 42.059 -0.022 0.000 1.257 345 L HN 0.720 nan 8.230 nan 0.000 0.435 346 T N -2.004 112.586 114.554 0.060 0.000 2.887 346 T HA 0.594 4.944 4.350 -0.000 0.000 0.292 346 T C 0.422 175.279 174.700 0.262 0.000 1.087 346 T CA -0.201 62.019 62.100 0.199 0.000 1.009 346 T CB 1.966 71.039 68.868 0.343 0.000 1.203 346 T HN 0.635 nan 8.240 nan 0.000 0.518 347 G N -0.188 108.802 108.800 0.316 0.000 3.605 347 G HA2 0.226 4.186 3.960 -0.000 0.000 0.277 347 G HA3 0.226 4.186 3.960 -0.000 0.000 0.277 347 G C -0.245 174.894 174.900 0.398 0.000 1.093 347 G CA -0.452 44.934 45.100 0.476 0.000 0.821 347 G HN 0.725 nan 8.290 nan 0.000 0.532 348 Y N 0.764 121.211 120.300 0.245 0.000 2.511 348 Y HA 0.341 4.891 4.550 -0.000 0.000 0.332 348 Y C 1.518 177.456 175.900 0.063 0.000 1.177 348 Y CA 1.580 59.721 58.100 0.067 0.000 1.422 348 Y CB 1.052 39.468 38.460 -0.073 0.000 1.271 348 Y HN 0.286 nan 8.280 nan 0.000 0.550 349 G N 2.586 111.125 108.800 -0.435 0.000 2.217 349 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.246 349 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.246 349 G C 1.105 176.114 174.900 0.181 0.000 0.990 349 G CA 0.374 45.432 45.100 -0.071 0.000 0.627 349 G HN 1.238 nan 8.290 nan 0.000 0.522 350 A N 0.651 123.394 122.820 -0.127 0.000 1.933 350 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 350 A C 1.917 179.373 177.584 -0.213 0.000 1.175 350 A CA 2.245 54.044 52.037 -0.397 0.000 0.628 350 A CB -0.421 17.919 19.000 -1.099 0.000 0.814 350 A HN 0.520 nan 8.150 nan 0.000 0.444 351 D N -0.099 120.189 120.400 -0.188 0.000 2.219 351 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 351 D C 1.859 178.146 176.300 -0.022 0.000 0.970 351 D CA 1.114 55.044 54.000 -0.116 0.000 0.851 351 D CB -0.181 40.533 40.800 -0.144 0.000 0.943 351 D HN 0.555 nan 8.370 nan 0.000 0.488 352 I N 1.406 122.007 120.570 0.051 0.000 2.099 352 I HA -0.215 3.955 4.170 -0.000 0.000 0.239 352 I C -0.578 175.600 176.117 0.102 0.000 1.066 352 I CA 1.291 62.679 61.300 0.147 0.000 1.324 352 I CB -1.543 36.671 38.000 0.356 0.000 1.037 352 I HN -0.036 nan 8.210 nan 0.000 0.401 353 P HA -0.077 nan 4.420 nan 0.000 0.223 353 P C 1.312 178.605 177.300 -0.011 0.000 1.151 353 P CA 1.014 64.104 63.100 -0.017 0.000 0.787 353 P CB 0.129 31.770 31.700 -0.098 0.000 0.788 354 L N -1.867 119.347 121.223 -0.016 0.000 2.607 354 L HA 0.377 4.717 4.340 -0.000 0.000 0.228 354 L C 1.166 178.035 176.870 -0.001 0.000 1.123 354 L CA 0.302 55.133 54.840 -0.016 0.000 0.890 354 L CB -1.522 40.512 42.059 -0.042 0.000 1.103 354 L HN 0.018 nan 8.230 nan 0.000 0.468 355 G N 0.186 108.993 108.800 0.013 0.000 2.367 355 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.295 355 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.295 355 G C 1.086 176.017 174.900 0.051 0.000 1.019 355 G CA 0.304 45.425 45.100 0.035 0.000 1.224 355 G HN 0.530 nan 8.290 nan 0.000 0.510 356 G N -0.418 108.391 108.800 0.015 0.000 2.776 356 G HA2 0.188 4.148 3.960 -0.000 0.000 0.209 356 G HA3 0.188 4.148 3.960 -0.000 0.000 0.209 356 G C 1.438 176.345 174.900 0.013 0.000 1.145 356 G CA 1.181 46.278 45.100 -0.006 0.000 0.791 356 G HN 0.528 nan 8.290 nan 0.000 0.530 357 M N -0.346 119.284 119.600 0.051 0.000 2.367 357 M HA 0.209 4.689 4.480 -0.000 0.000 0.256 357 M C 0.593 176.942 176.300 0.081 0.000 1.091 357 M CA -0.494 54.839 55.300 0.055 0.000 1.049 357 M CB -0.702 31.939 32.600 0.067 0.000 1.406 357 M HN 0.231 nan 8.290 nan 0.000 0.498 358 H N 3.005 122.080 119.070 0.008 0.000 2.929 358 H HA 0.117 4.673 4.556 -0.000 0.000 0.317 358 H C -0.108 175.223 175.328 0.006 0.000 1.031 358 H CA 0.554 56.608 56.048 0.009 0.000 1.466 358 H CB 0.805 30.574 29.762 0.011 0.000 1.482 358 H HN 0.028 nan 8.280 nan 0.000 0.561 359 R N 4.212 124.490 120.500 -0.369 0.000 2.700 359 R HA 0.209 4.549 4.340 -0.000 0.000 0.377 359 R C -0.505 175.608 176.300 -0.311 0.000 1.130 359 R CA -0.250 55.699 56.100 -0.252 0.000 1.055 359 R CB 0.393 30.615 30.300 -0.130 0.000 1.387 359 R HN 0.686 nan 8.270 nan 0.000 0.580 360 E N -0.775 119.096 120.200 -0.548 0.000 2.442 360 E HA 0.260 4.610 4.350 -0.000 0.000 0.271 360 E C -0.289 176.260 176.600 -0.084 0.000 1.002 360 E CA -0.664 55.570 56.400 -0.278 0.000 0.864 360 E CB 0.767 30.326 29.700 -0.236 0.000 1.573 360 E HN -0.258 nan 8.360 nan 0.000 0.456 361 D N -0.158 120.244 120.400 0.002 0.000 2.327 361 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 361 D C -0.097 176.262 176.300 0.099 0.000 0.989 361 D CA 0.398 54.431 54.000 0.056 0.000 0.873 361 D CB 0.307 41.111 40.800 0.006 0.000 0.955 361 D HN 0.008 nan 8.370 nan 0.000 0.515 362 R N 1.781 122.342 120.500 0.102 0.000 2.402 362 R HA 0.096 4.436 4.340 -0.000 0.000 0.331 362 R C 1.342 177.738 176.300 0.159 0.000 1.040 362 R CA -0.007 56.153 56.100 0.099 0.000 0.980 362 R CB 0.429 30.774 30.300 0.075 0.000 0.967 362 R HN 0.225 nan 8.270 nan 0.000 0.440 363 L N 4.677 125.930 121.223 0.051 0.000 2.083 363 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 363 L C -0.695 176.129 176.870 -0.077 0.000 1.083 363 L CA 1.000 55.811 54.840 -0.048 0.000 0.752 363 L CB -1.489 40.539 42.059 -0.052 0.000 0.899 363 L HN 0.352 nan 8.230 nan 0.000 0.433 364 P HA -0.288 nan 4.420 nan 0.000 0.216 364 P C 1.599 178.889 177.300 -0.016 0.000 1.167 364 P CA 2.253 65.345 63.100 -0.013 0.000 0.914 364 P CB -0.022 31.683 31.700 0.008 0.000 0.793 365 A N -1.223 121.615 122.820 0.029 0.000 2.019 365 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 365 A C 2.245 179.819 177.584 -0.017 0.000 1.164 365 A CA 1.322 53.393 52.037 0.056 0.000 0.644 365 A CB -1.622 17.474 19.000 0.160 0.000 0.805 365 A HN 0.184 nan 8.150 nan 0.000 0.449 366 L N -0.764 120.294 121.223 -0.275 0.000 2.017 366 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 366 L C 1.965 178.739 176.870 -0.160 0.000 1.073 366 L CA 2.004 56.579 54.840 -0.442 0.000 0.745 366 L CB -0.362 41.189 42.059 -0.847 0.000 0.894 366 L HN 0.307 nan 8.230 nan 0.000 0.432 367 D N -0.895 119.433 120.400 -0.119 0.000 2.178 367 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 367 D C 2.039 178.338 176.300 -0.002 0.000 0.974 367 D CA 1.647 55.618 54.000 -0.047 0.000 0.841 367 D CB 0.079 40.856 40.800 -0.039 0.000 0.953 367 D HN 0.382 nan 8.370 nan 0.000 0.478 368 T N 0.465 115.021 114.554 0.002 0.000 2.674 368 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 368 T C 2.262 177.003 174.700 0.069 0.000 1.039 368 T CA 0.873 62.993 62.100 0.033 0.000 1.150 368 T CB -0.312 68.568 68.868 0.021 0.000 0.864 368 T HN -0.030 nan 8.240 nan 0.000 0.427 369 V N 1.812 121.760 119.914 0.057 0.000 2.343 369 V HA -0.111 4.009 4.120 -0.000 0.000 0.247 369 V C 2.401 178.576 176.094 0.135 0.000 1.051 369 V CA 1.348 63.704 62.300 0.094 0.000 1.036 369 V CB -0.777 31.094 31.823 0.080 0.000 0.654 369 V HN 0.337 nan 8.190 nan 0.000 0.451 370 L N 1.381 122.654 121.223 0.082 0.000 1.989 370 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 370 L C 2.463 179.398 176.870 0.108 0.000 1.071 370 L CA 2.606 57.495 54.840 0.081 0.000 0.749 370 L CB -1.152 40.925 42.059 0.029 0.000 0.890 370 L HN 0.190 nan 8.230 nan 0.000 0.431 371 A N -1.313 121.563 122.820 0.094 0.000 1.908 371 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 371 A C 2.449 180.112 177.584 0.131 0.000 1.181 371 A CA 1.819 53.912 52.037 0.094 0.000 0.627 371 A CB -1.208 17.834 19.000 0.070 0.000 0.818 371 A HN 0.802 nan 8.150 nan 0.000 0.445 372 H N -0.196 118.920 119.070 0.076 0.000 2.326 372 H HA -0.122 4.434 4.556 -0.000 0.000 0.301 372 H C 1.376 176.783 175.328 0.132 0.000 1.081 372 H CA 1.812 57.913 56.048 0.087 0.000 1.334 372 H CB -0.117 29.686 29.762 0.068 0.000 1.385 372 H HN 0.383 nan 8.280 nan 0.000 0.504 373 D N 0.506 121.038 120.400 0.220 0.000 2.097 373 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 373 D C 2.323 178.790 176.300 0.279 0.000 0.989 373 D CA 0.808 54.943 54.000 0.226 0.000 0.827 373 D CB -0.135 40.812 40.800 0.244 0.000 0.966 373 D HN 0.324 nan 8.370 nan 0.000 0.456 374 M N 0.179 119.936 119.600 0.262 0.000 2.358 374 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 374 M C 1.880 178.440 176.300 0.433 0.000 1.064 374 M CA 0.554 56.067 55.300 0.356 0.000 1.093 374 M CB -0.854 31.863 32.600 0.194 0.000 1.401 374 M HN -0.045 nan 8.290 nan 0.000 0.440 375 A N -0.570 122.368 122.820 0.197 0.000 2.238 375 A HA 0.095 4.415 4.320 -0.000 0.000 0.210 375 A C 1.641 179.211 177.584 -0.023 0.000 1.179 375 A CA 1.155 53.241 52.037 0.082 0.000 0.827 375 A CB -0.490 18.507 19.000 -0.004 0.000 0.856 375 A HN 0.514 nan 8.150 nan 0.000 0.488 376 T N -3.724 110.828 114.554 -0.003 0.000 3.231 376 T HA 0.209 4.559 4.350 -0.000 0.000 0.292 376 T C 0.981 175.683 174.700 0.004 0.000 1.001 376 T CA 0.280 62.329 62.100 -0.086 0.000 0.920 376 T CB -0.958 67.785 68.868 -0.208 0.000 1.140 376 T HN 0.420 nan 8.240 nan 0.000 0.525 377 F N 0.968 120.964 119.950 0.076 0.000 2.293 377 F HA 0.316 4.843 4.527 -0.000 0.000 0.297 377 F C 0.521 176.341 175.800 0.032 0.000 1.089 377 F CA -0.556 57.490 58.000 0.077 0.000 1.377 377 F CB -0.694 38.403 39.000 0.162 0.000 1.051 377 F HN 0.020 nan 8.300 nan 0.000 0.511 378 D N 1.004 120.856 120.400 -0.913 0.000 2.487 378 D HA 0.313 4.953 4.640 -0.000 0.000 0.243 378 D C 1.302 177.455 176.300 -0.245 0.000 1.154 378 D CA 1.437 55.068 54.000 -0.615 0.000 0.876 378 D CB 0.797 41.200 40.800 -0.660 0.000 1.161 378 D HN 0.610 nan 8.370 nan 0.000 0.478 379 G N 2.877 111.591 108.800 -0.143 0.000 2.213 379 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.226 379 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.226 379 G C 1.217 176.094 174.900 -0.039 0.000 0.992 379 G CA 0.307 45.358 45.100 -0.082 0.000 0.632 379 G HN 0.511 nan 8.290 nan 0.000 0.511 380 L N 0.150 121.359 121.223 -0.023 0.000 2.341 380 L HA 0.131 4.471 4.340 -0.000 0.000 0.214 380 L C 1.493 178.359 176.870 -0.005 0.000 1.115 380 L CA 0.794 55.635 54.840 0.002 0.000 0.820 380 L CB -0.395 41.687 42.059 0.039 0.000 0.944 380 L HN 0.289 nan 8.230 nan 0.000 0.452 381 N N 0.561 119.247 118.700 -0.022 0.000 2.681 381 N HA -0.247 4.493 4.740 -0.000 0.000 0.250 381 N C 1.104 176.554 175.510 -0.099 0.000 1.133 381 N CA 1.335 54.356 53.050 -0.048 0.000 0.732 381 N CB -1.094 37.394 38.487 0.000 0.000 1.107 381 N HN 0.678 nan 8.380 nan 0.000 0.559 382 E N -0.624 119.505 120.200 -0.119 0.000 2.333 382 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 382 E C 1.119 177.438 176.600 -0.468 0.000 1.007 382 E CA 0.938 57.214 56.400 -0.208 0.000 0.845 382 E CB -0.106 29.548 29.700 -0.077 0.000 0.766 382 E HN 0.511 nan 8.360 nan 0.000 0.507 383 M N 1.392 120.734 119.600 -0.430 0.000 2.484 383 M HA 0.143 4.623 4.480 -0.000 0.000 0.307 383 M C 0.335 176.491 176.300 -0.241 0.000 1.149 383 M CA -0.403 54.575 55.300 -0.537 0.000 0.972 383 M CB 1.255 33.471 32.600 -0.640 0.000 1.400 383 M HN -0.081 nan 8.290 nan 0.000 0.508 384 S N 2.173 117.755 115.700 -0.197 0.000 2.552 384 S HA 0.066 4.536 4.470 -0.000 0.000 0.289 384 S C -1.181 173.310 174.600 -0.183 0.000 1.304 384 S CA -1.042 57.069 58.200 -0.149 0.000 1.063 384 S CB 0.617 63.751 63.200 -0.110 0.000 0.848 384 S HN 0.244 nan 8.310 nan 0.000 0.499 385 P HA -0.050 nan 4.420 nan 0.000 0.221 385 P C 1.434 178.551 177.300 -0.305 0.000 1.150 385 P CA 0.727 63.612 63.100 -0.357 0.000 0.800 385 P CB -0.128 31.371 31.700 -0.335 0.000 0.787 386 V N 0.040 119.829 119.914 -0.209 0.000 2.568 386 V HA -0.219 3.900 4.120 -0.000 0.000 0.253 386 V C 2.619 178.615 176.094 -0.164 0.000 1.072 386 V CA 1.267 63.452 62.300 -0.191 0.000 1.084 386 V CB -1.374 30.348 31.823 -0.169 0.000 0.676 386 V HN 0.006 nan 8.190 nan 0.000 0.469 387 L N 1.151 122.283 121.223 -0.152 0.000 2.043 387 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 387 L C 2.608 179.403 176.870 -0.125 0.000 1.075 387 L CA 2.604 57.407 54.840 -0.061 0.000 0.752 387 L CB -0.966 41.079 42.059 -0.023 0.000 0.891 387 L HN 0.636 nan 8.230 nan 0.000 0.432 388 S N -3.195 112.232 115.700 -0.456 0.000 2.499 388 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 388 S C 1.805 176.213 174.600 -0.320 0.000 1.050 388 S CA 0.526 58.325 58.200 -0.668 0.000 0.928 388 S CB -0.634 61.825 63.200 -1.235 0.000 0.803 388 S HN 0.495 nan 8.310 nan 0.000 0.506 389 T N 1.595 115.934 114.554 -0.359 0.000 3.113 389 T HA 0.087 4.437 4.350 -0.000 0.000 0.263 389 T C 1.665 176.248 174.700 -0.194 0.000 1.143 389 T CA 0.833 62.688 62.100 -0.408 0.000 1.090 389 T CB -0.858 67.594 68.868 -0.693 0.000 0.922 389 T HN 0.512 nan 8.240 nan 0.000 0.521 390 L N -0.761 120.408 121.223 -0.091 0.000 2.376 390 L HA 0.529 4.869 4.340 -0.000 0.000 0.219 390 L C 2.018 178.934 176.870 0.077 0.000 1.133 390 L CA 1.175 56.042 54.840 0.045 0.000 0.816 390 L CB -0.575 41.566 42.059 0.136 0.000 0.933 390 L HN 0.213 nan 8.230 nan 0.000 0.449 391 A N -0.621 122.203 122.820 0.007 0.000 2.564 391 A HA 0.616 4.936 4.320 -0.000 0.000 0.279 391 A C 1.546 179.003 177.584 -0.212 0.000 1.232 391 A CA 0.204 52.230 52.037 -0.018 0.000 0.950 391 A CB -0.457 18.595 19.000 0.086 0.000 1.138 391 A HN 0.784 nan 8.150 nan 0.000 0.526 392 G N -0.260 108.433 108.800 -0.178 0.000 2.143 392 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.249 392 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.249 392 G C -0.062 174.682 174.900 -0.259 0.000 0.981 392 G CA 0.355 45.350 45.100 -0.174 0.000 0.665 392 G HN 0.661 nan 8.290 nan 0.000 0.528 393 H N -1.094 117.929 119.070 -0.079 0.000 2.457 393 H HA 0.412 4.968 4.556 -0.000 0.000 0.335 393 H C -0.340 174.884 175.328 -0.174 0.000 1.115 393 H CA -0.784 55.226 56.048 -0.064 0.000 1.219 393 H CB 1.240 30.960 29.762 -0.070 0.000 1.471 393 H HN 0.354 nan 8.280 nan 0.000 0.491 394 W N 4.643 125.898 121.300 -0.075 0.000 2.390 394 W HA 0.271 4.931 4.660 -0.000 0.000 0.312 394 W C -0.799 175.641 176.519 -0.130 0.000 1.123 394 W CA -0.589 56.672 57.345 -0.140 0.000 1.202 394 W CB 1.322 30.839 29.460 0.094 0.000 1.251 394 W HN 0.575 nan 8.180 nan 0.000 0.511 395 T N 2.438 116.384 114.554 -1.013 0.000 2.887 395 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 395 T C -0.668 173.322 174.700 -1.183 0.000 1.021 395 T CA -0.607 60.967 62.100 -0.878 0.000 1.000 395 T CB 2.252 70.717 68.868 -0.672 0.000 1.034 395 T HN 0.378 nan 8.240 nan 0.000 0.467 396 T N 0.669 114.713 114.554 -0.851 0.000 2.916 396 T HA 0.449 4.799 4.350 -0.000 0.000 0.305 396 T C -1.815 172.455 174.700 -0.716 0.000 1.119 396 T CA -0.750 60.948 62.100 -0.670 0.000 1.008 396 T CB 1.056 69.849 68.868 -0.126 0.000 1.129 396 T HN 0.771 nan 8.240 nan 0.000 0.480 397 H N 4.692 123.739 119.070 -0.038 0.000 2.786 397 H HA 0.267 4.823 4.556 -0.000 0.000 0.284 397 H C -1.979 173.372 175.328 0.039 0.000 1.104 397 H CA -1.820 54.249 56.048 0.036 0.000 1.339 397 H CB 1.705 31.526 29.762 0.098 0.000 1.427 397 H HN 0.458 nan 8.280 nan 0.000 0.497 398 P HA -0.191 nan 4.420 nan 0.000 0.219 398 P C 0.952 178.209 177.300 -0.071 0.000 1.146 398 P CA 1.196 64.216 63.100 -0.133 0.000 0.808 398 P CB 0.187 31.725 31.700 -0.271 0.000 0.779 399 Y N -2.679 117.718 120.300 0.162 0.000 2.439 399 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 399 Y C 1.680 177.677 175.900 0.162 0.000 1.130 399 Y CA 0.353 58.546 58.100 0.154 0.000 1.254 399 Y CB -0.498 38.080 38.460 0.198 0.000 1.000 399 Y HN -0.048 nan 8.280 nan 0.000 0.554 400 W N 0.935 122.334 121.300 0.165 0.000 3.223 400 W HA 0.147 4.807 4.660 -0.000 0.000 0.389 400 W C 0.071 176.683 176.519 0.155 0.000 1.118 400 W CA -1.035 56.376 57.345 0.109 0.000 1.902 400 W CB -0.511 28.976 29.460 0.045 0.000 1.094 400 W HN -0.111 nan 8.180 nan 0.000 0.666 401 D N -0.103 120.405 120.400 0.180 0.000 2.443 401 D HA -0.039 4.601 4.640 -0.000 0.000 0.239 401 D C 1.862 178.131 176.300 -0.052 0.000 1.136 401 D CA 0.369 54.425 54.000 0.092 0.000 0.879 401 D CB 1.064 41.849 40.800 -0.026 0.000 1.195 401 D HN -0.040 nan 8.370 nan 0.000 0.443 402 R N 1.896 122.201 120.500 -0.325 0.000 2.096 402 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 402 R C 1.385 177.526 176.300 -0.265 0.000 1.139 402 R CA 1.645 57.298 56.100 -0.745 0.000 0.952 402 R CB 0.005 29.729 30.300 -0.959 0.000 0.854 402 R HN 0.550 nan 8.270 nan 0.000 0.436 403 E N -0.369 119.747 120.200 -0.139 0.000 2.072 403 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 403 E C 1.912 178.487 176.600 -0.042 0.000 0.985 403 E CA 1.223 57.590 56.400 -0.056 0.000 0.801 403 E CB -0.084 29.597 29.700 -0.031 0.000 0.750 403 E HN 0.136 nan 8.360 nan 0.000 0.452 404 V N 0.611 120.496 119.914 -0.048 0.000 2.307 404 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 404 V C 2.267 178.335 176.094 -0.043 0.000 1.045 404 V CA 1.452 63.737 62.300 -0.025 0.000 1.024 404 V CB -0.494 31.323 31.823 -0.009 0.000 0.651 404 V HN 0.230 nan 8.190 nan 0.000 0.449 405 L N 0.453 121.610 121.223 -0.110 0.000 1.989 405 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 405 L C 2.183 179.006 176.870 -0.079 0.000 1.071 405 L CA 2.166 56.879 54.840 -0.210 0.000 0.749 405 L CB -1.003 40.822 42.059 -0.389 0.000 0.890 405 L HN 0.301 nan 8.230 nan 0.000 0.431 406 D N -0.740 119.668 120.400 0.013 0.000 2.116 406 D HA -0.237 4.403 4.640 -0.000 0.000 0.193 406 D C 2.164 178.480 176.300 0.026 0.000 0.998 406 D CA 1.768 55.819 54.000 0.085 0.000 0.836 406 D CB -0.309 40.559 40.800 0.114 0.000 0.951 406 D HN 0.323 nan 8.370 nan 0.000 0.449 407 L N 0.573 121.801 121.223 0.009 0.000 1.994 407 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 407 L C 2.294 179.165 176.870 0.003 0.000 1.071 407 L CA 1.426 56.271 54.840 0.008 0.000 0.745 407 L CB -0.609 41.455 42.059 0.009 0.000 0.892 407 L HN 0.032 nan 8.230 nan 0.000 0.431 408 L N -1.505 119.713 121.223 -0.008 0.000 2.042 408 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 408 L C 2.453 179.311 176.870 -0.021 0.000 1.076 408 L CA 1.154 55.987 54.840 -0.011 0.000 0.749 408 L CB -0.800 41.246 42.059 -0.022 0.000 0.893 408 L HN 0.156 nan 8.230 nan 0.000 0.432 409 V N -0.008 119.885 119.914 -0.037 0.000 2.343 409 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 409 V C 2.713 178.799 176.094 -0.013 0.000 1.051 409 V CA 2.024 64.307 62.300 -0.029 0.000 1.036 409 V CB -0.532 31.274 31.823 -0.028 0.000 0.654 409 V HN 0.644 nan 8.190 nan 0.000 0.451 410 S N -0.352 115.344 115.700 -0.007 0.000 2.447 410 S HA 0.024 4.494 4.470 -0.000 0.000 0.233 410 S C 0.863 175.464 174.600 0.002 0.000 1.006 410 S CA 0.301 58.498 58.200 -0.004 0.000 0.957 410 S CB -0.749 62.452 63.200 0.001 0.000 0.773 410 S HN 0.467 nan 8.310 nan 0.000 0.507 411 L N 2.888 124.116 121.223 0.009 0.000 2.490 411 L HA 0.181 4.521 4.340 -0.000 0.000 0.274 411 L C 0.576 177.452 176.870 0.009 0.000 1.201 411 L CA -0.443 54.408 54.840 0.019 0.000 0.869 411 L CB 0.020 42.102 42.059 0.038 0.000 1.123 411 L HN 0.435 nan 8.230 nan 0.000 0.484 412 E N 2.069 122.274 120.200 0.008 0.000 2.392 412 E HA 0.158 4.508 4.350 -0.000 0.000 0.264 412 E C 0.920 177.514 176.600 -0.011 0.000 1.024 412 E CA 0.170 56.565 56.400 -0.007 0.000 0.903 412 E CB 0.888 30.581 29.700 -0.011 0.000 0.963 412 E HN 0.601 nan 8.360 nan 0.000 0.432 413 A N 3.716 126.518 122.820 -0.030 0.000 2.009 413 A HA -0.237 4.083 4.320 -0.000 0.000 0.222 413 A C 2.110 179.669 177.584 -0.041 0.000 1.175 413 A CA 2.069 54.076 52.037 -0.050 0.000 0.651 413 A CB -1.464 17.488 19.000 -0.081 0.000 0.815 413 A HN 0.841 nan 8.150 nan 0.000 0.459 414 G N -1.124 107.648 108.800 -0.047 0.000 2.559 414 G HA2 0.047 4.006 3.960 -0.000 0.000 0.216 414 G HA3 0.047 4.006 3.960 -0.000 0.000 0.216 414 G C 1.272 176.126 174.900 -0.077 0.000 1.126 414 G CA 0.837 45.891 45.100 -0.078 0.000 0.778 414 G HN 0.486 nan 8.290 nan 0.000 0.543 415 L N -1.136 120.093 121.223 0.010 0.000 2.554 415 L HA 0.244 4.584 4.340 -0.000 0.000 0.225 415 L C 2.508 179.526 176.870 0.247 0.000 1.104 415 L CA 0.283 55.203 54.840 0.133 0.000 0.866 415 L CB 0.215 42.368 42.059 0.156 0.000 1.047 415 L HN 0.115 nan 8.230 nan 0.000 0.468 416 K N 0.133 120.611 120.400 0.129 0.000 2.168 416 K HA 0.031 4.350 4.320 -0.000 0.000 0.201 416 K C 0.788 177.480 176.600 0.153 0.000 1.049 416 K CA 0.181 56.546 56.287 0.131 0.000 0.974 416 K CB 0.318 32.846 32.500 0.047 0.000 0.792 416 K HN -0.106 nan 8.250 nan 0.000 0.463 417 R N 1.876 122.428 120.500 0.087 0.000 2.287 417 R HA 0.265 4.605 4.340 -0.000 0.000 0.316 417 R C -1.355 174.936 176.300 -0.016 0.000 1.050 417 R CA -0.335 55.819 56.100 0.089 0.000 0.983 417 R CB 0.344 30.710 30.300 0.111 0.000 1.140 417 R HN -0.066 nan 8.270 nan 0.000 0.528 418 R N 2.071 122.541 120.500 -0.050 0.000 2.698 418 R HA 0.286 4.626 4.340 -0.000 0.000 0.275 418 R C -0.738 175.348 176.300 -0.356 0.000 1.001 418 R CA -0.653 55.199 56.100 -0.414 0.000 0.896 418 R CB 0.945 30.730 30.300 -0.859 0.000 1.218 418 R HN 0.800 nan 8.270 nan 0.000 0.462 419 H N 1.324 120.235 119.070 -0.266 0.000 2.862 419 H HA -0.161 4.395 4.556 -0.000 0.000 0.290 419 H C 0.611 175.922 175.328 -0.029 0.000 1.211 419 H CA 1.329 57.289 56.048 -0.146 0.000 1.140 419 H CB -1.325 28.348 29.762 -0.147 0.000 1.341 419 H HN 1.083 nan 8.280 nan 0.000 0.392 420 G N 0.113 108.936 108.800 0.038 0.000 2.249 420 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.273 420 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.273 420 G C 0.215 175.169 174.900 0.090 0.000 1.036 420 G CA 0.813 45.944 45.100 0.052 0.000 0.824 420 G HN 0.704 nan 8.290 nan 0.000 0.504 421 R N -0.052 120.529 120.500 0.135 0.000 2.604 421 R HA 0.486 4.826 4.340 -0.000 0.000 0.281 421 R C -0.478 175.932 176.300 0.184 0.000 1.020 421 R CA -0.457 55.746 56.100 0.172 0.000 0.899 421 R CB 1.235 31.693 30.300 0.264 0.000 1.205 421 R HN 0.328 nan 8.270 nan 0.000 0.450 422 D N 2.333 122.811 120.400 0.129 0.000 2.339 422 D HA 0.115 4.755 4.640 -0.000 0.000 0.245 422 D C -0.601 175.768 176.300 0.114 0.000 1.115 422 D CA -0.367 53.705 54.000 0.121 0.000 0.917 422 D CB 0.726 41.572 40.800 0.077 0.000 1.192 422 D HN 0.475 nan 8.370 nan 0.000 0.428 423 K N -0.024 120.437 120.400 0.102 0.000 3.016 423 K HA -0.278 4.042 4.320 -0.000 0.000 0.262 423 K C 0.169 176.817 176.600 0.079 0.000 1.043 423 K CA 0.568 56.890 56.287 0.058 0.000 0.761 423 K CB -1.488 31.000 32.500 -0.019 0.000 1.230 423 K HN 0.719 nan 8.250 nan 0.000 0.485 424 W N 0.733 122.042 121.300 0.016 0.000 2.290 424 W HA -0.337 4.323 4.660 -0.000 0.000 0.328 424 W C 1.988 178.529 176.519 0.036 0.000 1.272 424 W CA 2.302 59.669 57.345 0.038 0.000 1.262 424 W CB -0.660 28.836 29.460 0.059 0.000 1.151 424 W HN 0.128 nan 8.180 nan 0.000 0.473 425 V N 1.081 120.977 119.914 -0.030 0.000 2.380 425 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 425 V C 2.211 178.109 176.094 -0.326 0.000 1.063 425 V CA 2.324 64.450 62.300 -0.290 0.000 1.055 425 V CB -0.826 31.041 31.823 0.075 0.000 0.657 425 V HN 0.340 nan 8.190 nan 0.000 0.455 426 L N 0.159 121.270 121.223 -0.187 0.000 2.072 426 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 426 L C 2.568 179.328 176.870 -0.183 0.000 1.079 426 L CA 1.841 56.604 54.840 -0.129 0.000 0.752 426 L CB -0.787 41.229 42.059 -0.071 0.000 0.906 426 L HN 0.228 nan 8.230 nan 0.000 0.436 427 R N -0.334 120.021 120.500 -0.241 0.000 2.073 427 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 427 R C 2.222 178.337 176.300 -0.308 0.000 1.134 427 R CA 1.408 57.370 56.100 -0.230 0.000 0.952 427 R CB -0.768 29.412 30.300 -0.201 0.000 0.850 427 R HN 0.504 nan 8.270 nan 0.000 0.433 428 A N 1.074 123.558 122.820 -0.559 0.000 2.015 428 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 428 A C 2.260 179.658 177.584 -0.310 0.000 1.163 428 A CA 1.485 53.206 52.037 -0.526 0.000 0.646 428 A CB -0.410 17.995 19.000 -0.991 0.000 0.806 428 A HN 0.402 nan 8.150 nan 0.000 0.448 429 A N -1.496 121.162 122.820 -0.269 0.000 2.066 429 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 429 A C 1.738 179.267 177.584 -0.092 0.000 1.157 429 A CA 1.397 53.347 52.037 -0.146 0.000 0.670 429 A CB -0.211 18.726 19.000 -0.105 0.000 0.804 429 A HN 0.394 nan 8.150 nan 0.000 0.453 430 M N -1.208 118.333 119.600 -0.098 0.000 2.313 430 M HA 0.326 4.806 4.480 -0.000 0.000 0.273 430 M C 1.938 178.193 176.300 -0.074 0.000 1.049 430 M CA 0.352 55.614 55.300 -0.064 0.000 1.004 430 M CB -0.977 31.595 32.600 -0.046 0.000 1.461 430 M HN 0.382 nan 8.290 nan 0.000 0.514 431 A N 1.882 124.646 122.820 -0.093 0.000 1.884 431 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 431 A C 1.472 179.023 177.584 -0.054 0.000 1.197 431 A CA 2.473 54.459 52.037 -0.083 0.000 0.637 431 A CB -0.946 18.002 19.000 -0.086 0.000 0.827 431 A HN 0.576 nan 8.150 nan 0.000 0.450 432 D N -0.990 119.392 120.400 -0.031 0.000 2.332 432 D HA 0.379 5.019 4.640 -0.000 0.000 0.244 432 D C 0.595 176.912 176.300 0.027 0.000 1.136 432 D CA 0.818 54.818 54.000 -0.000 0.000 0.884 432 D CB -0.057 40.744 40.800 0.003 0.000 0.906 432 D HN 0.379 nan 8.370 nan 0.000 0.520 433 A N -0.429 122.399 122.820 0.013 0.000 2.653 433 A HA 0.436 4.756 4.320 -0.000 0.000 0.248 433 A C 0.121 177.717 177.584 0.019 0.000 1.211 433 A CA -0.279 51.793 52.037 0.058 0.000 0.991 433 A CB 0.480 19.499 19.000 0.032 0.000 1.252 433 A HN 0.210 nan 8.150 nan 0.000 0.593 434 L N 0.427 121.552 121.223 -0.162 0.000 2.409 434 L HA 0.473 4.813 4.340 -0.000 0.000 0.255 434 L C -2.658 173.875 176.870 -0.562 0.000 1.027 434 L CA -2.442 52.126 54.840 -0.454 0.000 0.834 434 L CB 2.680 44.602 42.059 -0.228 0.000 1.426 434 L HN -0.060 nan 8.230 nan 0.000 0.411 435 P HA 0.052 nan 4.420 nan 0.000 0.271 435 P C 0.168 177.357 177.300 -0.185 0.000 1.216 435 P CA -0.167 62.717 63.100 -0.361 0.000 0.776 435 P CB 1.311 32.855 31.700 -0.261 0.000 0.881 436 A N 3.021 125.774 122.820 -0.110 0.000 1.958 436 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 436 A C 2.217 179.763 177.584 -0.063 0.000 1.178 436 A CA 2.158 54.153 52.037 -0.071 0.000 0.642 436 A CB -1.354 17.621 19.000 -0.041 0.000 0.816 436 A HN 0.714 nan 8.150 nan 0.000 0.453 437 E N -1.022 119.141 120.200 -0.062 0.000 2.110 437 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 437 E C 1.802 178.368 176.600 -0.056 0.000 0.988 437 E CA 1.617 57.988 56.400 -0.048 0.000 0.804 437 E CB -0.120 29.556 29.700 -0.041 0.000 0.745 437 E HN 0.589 nan 8.360 nan 0.000 0.458 438 T N -0.028 114.478 114.554 -0.081 0.000 2.942 438 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 438 T C 1.857 176.514 174.700 -0.072 0.000 1.062 438 T CA 0.872 62.924 62.100 -0.079 0.000 1.139 438 T CB 0.082 68.885 68.868 -0.107 0.000 0.883 438 T HN 0.023 nan 8.240 nan 0.000 0.468 439 V N 2.814 122.679 119.914 -0.082 0.000 2.427 439 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 439 V C 1.955 178.018 176.094 -0.052 0.000 1.051 439 V CA 1.297 63.552 62.300 -0.076 0.000 1.048 439 V CB -0.425 31.347 31.823 -0.085 0.000 0.666 439 V HN 0.515 nan 8.190 nan 0.000 0.456 440 N N -0.085 118.594 118.700 -0.036 0.000 2.280 440 N HA 0.038 4.778 4.740 -0.000 0.000 0.192 440 N C 0.966 176.469 175.510 -0.013 0.000 1.109 440 N CA -0.129 52.914 53.050 -0.011 0.000 0.855 440 N CB -0.094 38.392 38.487 -0.002 0.000 0.974 440 N HN 0.316 nan 8.380 nan 0.000 0.482 441 R N 2.772 123.256 120.500 -0.027 0.000 2.501 441 R HA 0.038 4.378 4.340 -0.000 0.000 0.319 441 R C -2.373 173.911 176.300 -0.026 0.000 0.913 441 R CA -0.644 55.439 56.100 -0.028 0.000 1.104 441 R CB -0.130 30.149 30.300 -0.036 0.000 0.901 441 R HN -0.004 nan 8.270 nan 0.000 0.407 442 P HA -0.018 nan 4.420 nan 0.000 0.270 442 P C -0.977 176.300 177.300 -0.038 0.000 1.223 442 P CA -0.144 62.942 63.100 -0.023 0.000 0.785 442 P CB 0.515 32.202 31.700 -0.021 0.000 0.923 443 K N 2.314 122.689 120.400 -0.042 0.000 2.326 443 K HA 0.274 4.594 4.320 -0.000 0.000 0.275 443 K C -1.079 175.473 176.600 -0.081 0.000 1.018 443 K CA -0.179 56.069 56.287 -0.065 0.000 0.962 443 K CB 0.040 32.502 32.500 -0.063 0.000 0.953 443 K HN 0.308 nan 8.250 nan 0.000 0.475 444 L N 2.744 123.902 121.223 -0.108 0.000 2.439 444 L HA 0.435 4.775 4.340 -0.000 0.000 0.270 444 L C -0.588 176.156 176.870 -0.210 0.000 0.972 444 L CA -0.130 54.625 54.840 -0.140 0.000 0.836 444 L CB 1.796 43.790 42.059 -0.109 0.000 1.255 444 L HN 0.667 nan 8.230 nan 0.000 0.404 445 G N 3.511 112.110 108.800 -0.336 0.000 2.349 445 G HA2 0.422 4.382 3.960 -0.000 0.000 0.281 445 G HA3 0.422 4.382 3.960 -0.000 0.000 0.281 445 G C 0.848 175.408 174.900 -0.566 0.000 1.182 445 G CA -0.303 44.462 45.100 -0.558 0.000 0.899 445 G HN 0.619 nan 8.290 nan 0.000 0.455 446 V N 3.396 123.150 119.914 -0.267 0.000 2.527 446 V HA -0.296 3.824 4.120 -0.000 0.000 0.255 446 V C 2.667 178.758 176.094 -0.005 0.000 1.081 446 V CA 2.262 64.511 62.300 -0.085 0.000 1.092 446 V CB -1.002 30.829 31.823 0.013 0.000 0.673 446 V HN 0.986 nan 8.190 nan 0.000 0.470 447 H N 0.515 119.641 119.070 0.093 0.000 2.520 447 H HA -0.209 4.347 4.556 -0.000 0.000 0.295 447 H C 1.665 177.048 175.328 0.091 0.000 1.096 447 H CA 1.985 58.119 56.048 0.143 0.000 1.249 447 H CB -0.058 29.887 29.762 0.304 0.000 1.365 447 H HN 0.634 nan 8.280 nan 0.000 0.556 448 E N 0.117 120.235 120.200 -0.136 0.000 2.332 448 E HA 0.133 4.483 4.350 -0.000 0.000 0.202 448 E C 2.441 178.999 176.600 -0.070 0.000 0.877 448 E CA 0.336 56.683 56.400 -0.088 0.000 0.979 448 E CB 0.266 29.862 29.700 -0.173 0.000 0.969 448 E HN 0.494 nan 8.360 nan 0.000 0.495 449 G N 1.168 109.911 108.800 -0.095 0.000 2.744 449 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.211 449 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.211 449 G C 1.342 176.192 174.900 -0.083 0.000 1.143 449 G CA 0.906 45.953 45.100 -0.087 0.000 0.788 449 G HN 0.293 nan 8.290 nan 0.000 0.534 450 S N -2.063 113.609 115.700 -0.046 0.000 2.787 450 S HA 0.406 4.876 4.470 -0.000 0.000 0.255 450 S C 1.253 175.854 174.600 0.002 0.000 1.051 450 S CA 0.795 58.972 58.200 -0.038 0.000 1.124 450 S CB 0.347 63.534 63.200 -0.021 0.000 1.104 450 S HN 1.363 nan 8.310 nan 0.000 0.623 451 G N 1.470 110.285 108.800 0.025 0.000 2.351 451 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.297 451 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.297 451 G C 0.424 175.377 174.900 0.089 0.000 1.054 451 G CA 0.575 45.708 45.100 0.055 0.000 1.123 451 G HN 0.485 nan 8.290 nan 0.000 0.512 452 T N -0.218 114.415 114.554 0.132 0.000 2.901 452 T HA -0.016 4.334 4.350 -0.000 0.000 0.252 452 T C 2.638 177.452 174.700 0.190 0.000 1.035 452 T CA 1.787 63.975 62.100 0.146 0.000 1.142 452 T CB -0.142 68.826 68.868 0.167 0.000 0.869 452 T HN 0.428 nan 8.240 nan 0.000 0.442 453 T N 2.109 116.795 114.554 0.221 0.000 2.746 453 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 453 T C 2.389 177.188 174.700 0.165 0.000 1.039 453 T CA 1.332 63.554 62.100 0.202 0.000 1.142 453 T CB -0.338 68.656 68.868 0.210 0.000 0.866 453 T HN 0.263 nan 8.240 nan 0.000 0.444 454 S N 1.306 117.089 115.700 0.139 0.000 2.355 454 S HA -0.064 4.406 4.470 -0.000 0.000 0.222 454 S C 2.524 177.190 174.600 0.109 0.000 1.031 454 S CA 0.969 59.229 58.200 0.100 0.000 0.993 454 S CB -0.370 62.876 63.200 0.076 0.000 0.859 454 S HN 0.410 nan 8.310 nan 0.000 0.453 455 S N 1.356 117.132 115.700 0.127 0.000 2.359 455 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 455 S C 1.548 176.276 174.600 0.213 0.000 1.035 455 S CA 1.074 59.354 58.200 0.134 0.000 1.018 455 S CB -0.469 62.797 63.200 0.110 0.000 0.876 455 S HN 0.501 nan 8.310 nan 0.000 0.448 456 F N 2.577 122.547 119.950 0.033 0.000 2.171 456 F HA -0.068 4.459 4.527 -0.000 0.000 0.300 456 F C 2.473 178.287 175.800 0.023 0.000 1.090 456 F CA 0.895 58.909 58.000 0.023 0.000 1.293 456 F CB -1.075 37.931 39.000 0.009 0.000 1.013 456 F HN 0.100 nan 8.300 nan 0.000 0.486 457 S N 0.395 116.129 115.700 0.057 0.000 2.355 457 S HA -0.127 4.343 4.470 -0.000 0.000 0.222 457 S C 2.125 176.724 174.600 -0.002 0.000 1.031 457 S CA 0.723 58.888 58.200 -0.058 0.000 0.993 457 S CB -0.219 62.972 63.200 -0.015 0.000 0.859 457 S HN 0.312 nan 8.310 nan 0.000 0.453 458 R N 0.625 121.157 120.500 0.054 0.000 2.096 458 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 458 R C 2.293 178.643 176.300 0.084 0.000 1.127 458 R CA 0.888 57.022 56.100 0.058 0.000 0.968 458 R CB -0.933 29.405 30.300 0.063 0.000 0.861 458 R HN 0.331 nan 8.270 nan 0.000 0.440 459 L N 1.216 122.518 121.223 0.132 0.000 2.012 459 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 459 L C 2.147 179.142 176.870 0.207 0.000 1.073 459 L CA 1.662 56.618 54.840 0.194 0.000 0.748 459 L CB -0.565 41.652 42.059 0.262 0.000 0.891 459 L HN 0.099 nan 8.230 nan 0.000 0.431 460 L N -1.378 119.892 121.223 0.078 0.000 2.056 460 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 460 L C 2.503 179.408 176.870 0.058 0.000 1.078 460 L CA 1.090 55.942 54.840 0.019 0.000 0.749 460 L CB -0.461 41.511 42.059 -0.145 0.000 0.901 460 L HN 0.306 nan 8.230 nan 0.000 0.433 461 L N -0.521 120.721 121.223 0.031 0.000 2.131 461 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 461 L C 1.755 178.647 176.870 0.037 0.000 1.092 461 L CA 0.910 55.765 54.840 0.025 0.000 0.759 461 L CB -0.503 41.562 42.059 0.011 0.000 0.903 461 L HN 0.274 nan 8.230 nan 0.000 0.435 462 D N -1.617 118.814 120.400 0.051 0.000 2.363 462 D HA -0.095 4.545 4.640 -0.000 0.000 0.220 462 D C 1.710 177.971 176.300 -0.064 0.000 0.994 462 D CA 0.846 54.844 54.000 -0.003 0.000 0.890 462 D CB 0.028 40.819 40.800 -0.014 0.000 0.906 462 D HN 0.374 nan 8.370 nan 0.000 0.530 463 H N -1.037 118.034 119.070 0.002 0.000 2.586 463 H HA 0.239 4.795 4.556 -0.000 0.000 0.273 463 H C 1.355 176.680 175.328 -0.005 0.000 0.997 463 H CA 0.777 56.826 56.048 0.001 0.000 1.177 463 H CB 1.209 30.973 29.762 0.004 0.000 1.471 463 H HN 0.213 nan 8.280 nan 0.000 0.538 464 G N 0.878 109.723 108.800 0.075 0.000 2.179 464 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 464 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 464 G C 0.331 175.249 174.900 0.030 0.000 0.990 464 G CA 0.199 45.322 45.100 0.040 0.000 0.646 464 G HN 0.162 nan 8.290 nan 0.000 0.517 465 V N 2.345 122.280 119.914 0.035 0.000 2.434 465 V HA 0.469 4.589 4.120 -0.000 0.000 0.281 465 V C 1.355 177.446 176.094 -0.006 0.000 1.005 465 V CA 0.234 62.536 62.300 0.002 0.000 1.089 465 V CB 0.227 32.037 31.823 -0.023 0.000 0.978 465 V HN 1.120 nan 8.190 nan 0.000 0.474 466 A N 4.173 126.989 122.820 -0.008 0.000 2.448 466 A HA 0.148 4.468 4.320 -0.000 0.000 0.239 466 A C 1.424 179.000 177.584 -0.014 0.000 1.080 466 A CA 0.270 52.303 52.037 -0.008 0.000 0.779 466 A CB 0.102 19.098 19.000 -0.007 0.000 1.026 466 A HN 0.970 nan 8.150 nan 0.000 0.499 467 E N 0.595 120.788 120.200 -0.011 0.000 2.026 467 E HA -0.244 4.106 4.350 -0.000 0.000 0.206 467 E C 0.655 177.249 176.600 -0.010 0.000 1.028 467 E CA 1.651 58.045 56.400 -0.011 0.000 0.845 467 E CB -0.179 29.516 29.700 -0.008 0.000 0.772 467 E HN 0.850 nan 8.360 nan 0.000 0.462 468 D N -0.421 119.975 120.400 -0.008 0.000 2.826 468 D HA -0.084 4.556 4.640 -0.000 0.000 0.247 468 D C 0.466 176.766 176.300 0.000 0.000 1.238 468 D CA 0.355 54.352 54.000 -0.005 0.000 0.894 468 D CB -0.036 40.761 40.800 -0.006 0.000 1.100 468 D HN 0.217 nan 8.370 nan 0.000 0.453 469 R N -1.285 119.215 120.500 -0.000 0.000 2.284 469 R HA 0.042 4.382 4.340 -0.000 0.000 0.204 469 R C 1.408 177.691 176.300 -0.029 0.000 0.736 469 R CA -0.041 56.054 56.100 -0.008 0.000 1.059 469 R CB 0.143 30.434 30.300 -0.015 0.000 1.581 469 R HN -0.009 nan 8.270 nan 0.000 0.450 470 V N 0.699 120.593 119.914 -0.034 0.000 2.358 470 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 470 V C 2.116 178.144 176.094 -0.110 0.000 1.047 470 V CA 2.385 64.632 62.300 -0.088 0.000 1.035 470 V CB -0.506 31.264 31.823 -0.087 0.000 0.658 470 V HN 0.320 nan 8.190 nan 0.000 0.452 471 H N 0.642 119.640 119.070 -0.120 0.000 2.290 471 H HA -0.166 4.390 4.556 -0.000 0.000 0.298 471 H C 2.341 177.608 175.328 -0.102 0.000 1.087 471 H CA 2.111 58.092 56.048 -0.112 0.000 1.291 471 H CB -0.011 29.707 29.762 -0.073 0.000 1.369 471 H HN 0.245 nan 8.280 nan 0.000 0.492 472 E N 0.182 120.322 120.200 -0.099 0.000 2.160 472 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 472 E C 2.334 178.839 176.600 -0.157 0.000 0.991 472 E CA 0.948 57.268 56.400 -0.132 0.000 0.810 472 E CB -0.526 29.150 29.700 -0.040 0.000 0.742 472 E HN 0.621 nan 8.360 nan 0.000 0.466 473 A N 1.314 124.043 122.820 -0.152 0.000 1.877 473 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 473 A C 2.076 179.543 177.584 -0.196 0.000 1.186 473 A CA 1.583 53.528 52.037 -0.153 0.000 0.620 473 A CB -0.335 18.571 19.000 -0.157 0.000 0.822 473 A HN 0.133 nan 8.150 nan 0.000 0.443 474 K N -0.652 119.564 120.400 -0.306 0.000 2.152 474 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 474 K C 2.309 178.833 176.600 -0.127 0.000 1.048 474 K CA 1.275 57.379 56.287 -0.305 0.000 0.933 474 K CB -0.156 32.088 32.500 -0.426 0.000 0.721 474 K HN 0.394 nan 8.250 nan 0.000 0.447 475 R N 0.871 121.240 120.500 -0.219 0.000 2.062 475 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 475 R C 2.397 178.648 176.300 -0.082 0.000 1.136 475 R CA 1.478 57.479 56.100 -0.166 0.000 0.948 475 R CB -0.197 29.980 30.300 -0.205 0.000 0.845 475 R HN 0.280 nan 8.270 nan 0.000 0.430 476 Q N 0.065 119.818 119.800 -0.079 0.000 2.135 476 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 476 Q C 2.198 178.191 176.000 -0.013 0.000 0.981 476 Q CA 1.586 57.362 55.803 -0.044 0.000 0.856 476 Q CB -0.081 28.629 28.738 -0.048 0.000 0.902 476 Q HN 0.174 nan 8.270 nan 0.000 0.425 477 V N 0.043 119.960 119.914 0.005 0.000 2.261 477 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 477 V C 2.242 178.380 176.094 0.072 0.000 1.047 477 V CA 1.526 63.862 62.300 0.059 0.000 1.015 477 V CB -0.516 31.406 31.823 0.166 0.000 0.642 477 V HN 0.185 nan 8.190 nan 0.000 0.446 478 V N 0.152 120.117 119.914 0.084 0.000 2.287 478 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 478 V C 2.637 178.773 176.094 0.069 0.000 1.053 478 V CA 2.357 64.698 62.300 0.069 0.000 1.027 478 V CB -0.819 31.033 31.823 0.048 0.000 0.646 478 V HN 0.474 nan 8.190 nan 0.000 0.447 479 R N 0.356 120.872 120.500 0.027 0.000 2.120 479 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 479 R C 2.127 178.479 176.300 0.087 0.000 1.123 479 R CA 1.461 57.577 56.100 0.027 0.000 0.975 479 R CB -0.554 29.728 30.300 -0.030 0.000 0.866 479 R HN 0.465 nan 8.270 nan 0.000 0.446 480 E N 0.229 120.462 120.200 0.055 0.000 2.106 480 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 480 E C 1.997 178.629 176.600 0.054 0.000 0.984 480 E CA 1.090 57.518 56.400 0.046 0.000 0.806 480 E CB -0.163 29.547 29.700 0.017 0.000 0.750 480 E HN 0.378 nan 8.360 nan 0.000 0.458 481 L N -0.263 120.996 121.223 0.060 0.000 2.083 481 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 481 L C 2.441 179.351 176.870 0.067 0.000 1.083 481 L CA 0.943 55.804 54.840 0.035 0.000 0.752 481 L CB -0.454 41.622 42.059 0.028 0.000 0.899 481 L HN 0.065 nan 8.230 nan 0.000 0.433 482 F N 1.396 121.337 119.950 -0.015 0.000 2.102 482 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 482 F C 2.207 178.001 175.800 -0.010 0.000 1.105 482 F CA 1.766 59.763 58.000 -0.006 0.000 1.239 482 F CB -0.200 38.792 39.000 -0.014 0.000 0.991 482 F HN 0.097 nan 8.300 nan 0.000 0.474 483 D N 0.522 121.065 120.400 0.238 0.000 2.182 483 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 483 D C 2.342 178.632 176.300 -0.017 0.000 0.986 483 D CA 1.558 55.628 54.000 0.116 0.000 0.847 483 D CB -0.384 40.479 40.800 0.105 0.000 0.942 483 D HN 0.349 nan 8.370 nan 0.000 0.467 484 L N 0.230 121.434 121.223 -0.032 0.000 2.084 484 L HA -0.064 4.276 4.340 -0.000 0.000 0.202 484 L C 2.667 179.474 176.870 -0.105 0.000 1.074 484 L CA 1.498 56.298 54.840 -0.066 0.000 0.757 484 L CB -0.821 41.198 42.059 -0.066 0.000 0.918 484 L HN 0.090 nan 8.230 nan 0.000 0.444 485 T N -3.324 111.154 114.554 -0.127 0.000 2.896 485 T HA -0.019 4.331 4.350 -0.000 0.000 0.263 485 T C 1.688 176.374 174.700 -0.023 0.000 1.050 485 T CA 0.935 62.982 62.100 -0.088 0.000 1.140 485 T CB -0.328 68.502 68.868 -0.064 0.000 0.877 485 T HN 0.058 nan 8.240 nan 0.000 0.457 486 V N 1.110 120.831 119.914 -0.323 0.000 2.575 486 V HA 0.320 4.439 4.120 -0.000 0.000 0.242 486 V C 2.954 178.815 176.094 -0.389 0.000 1.045 486 V CA 1.271 63.256 62.300 -0.525 0.000 1.065 486 V CB -0.813 30.203 31.823 -1.345 0.000 0.717 486 V HN 0.618 nan 8.190 nan 0.000 0.467 487 G N -0.091 108.506 108.800 -0.338 0.000 2.492 487 G HA2 0.049 4.009 3.960 -0.000 0.000 0.214 487 G HA3 0.049 4.009 3.960 -0.000 0.000 0.214 487 G C 1.406 176.257 174.900 -0.081 0.000 1.147 487 G CA 0.819 45.835 45.100 -0.140 0.000 0.809 487 G HN 0.572 nan 8.290 nan 0.000 0.533 488 G N -0.489 108.263 108.800 -0.080 0.000 3.088 488 G HA2 0.382 4.342 3.960 -0.000 0.000 0.217 488 G HA3 0.382 4.342 3.960 -0.000 0.000 0.217 488 G C 1.152 176.027 174.900 -0.042 0.000 1.159 488 G CA 0.499 45.569 45.100 -0.050 0.000 0.760 488 G HN 1.260 nan 8.290 nan 0.000 0.550 489 G N 0.276 109.053 108.800 -0.038 0.000 2.221 489 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.265 489 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.265 489 G C 0.301 175.202 174.900 0.001 0.000 1.041 489 G CA -0.029 45.073 45.100 0.003 0.000 0.807 489 G HN 0.620 nan 8.290 nan 0.000 0.502 490 R N -0.395 120.077 120.500 -0.046 0.000 2.265 490 R HA 0.454 4.794 4.340 -0.000 0.000 0.319 490 R C 0.256 176.415 176.300 -0.235 0.000 1.006 490 R CA -0.885 55.154 56.100 -0.102 0.000 0.880 490 R CB 0.835 31.063 30.300 -0.120 0.000 1.077 490 R HN 0.463 nan 8.270 nan 0.000 0.454 491 H N 4.072 122.935 119.070 -0.344 0.000 2.732 491 H HA 0.076 4.632 4.556 -0.000 0.000 0.351 491 H C -1.618 173.253 175.328 -0.761 0.000 1.090 491 H CA -1.360 54.295 56.048 -0.654 0.000 1.431 491 H CB 1.259 30.760 29.762 -0.435 0.000 1.447 491 H HN 0.345 nan 8.280 nan 0.000 0.582 492 P HA -0.238 nan 4.420 nan 0.000 0.216 492 P C 1.433 178.309 177.300 -0.707 0.000 1.153 492 P CA 2.320 64.639 63.100 -1.301 0.000 0.858 492 P CB 0.063 30.357 31.700 -2.343 0.000 0.789 493 S N -0.335 115.106 115.700 -0.430 0.000 2.400 493 S HA -0.199 4.271 4.470 -0.000 0.000 0.232 493 S C 1.655 176.227 174.600 -0.046 0.000 1.025 493 S CA 1.253 59.452 58.200 -0.002 0.000 0.993 493 S CB -1.214 62.115 63.200 0.216 0.000 0.808 493 S HN 0.276 nan 8.310 nan 0.000 0.478 494 E N 0.590 120.734 120.200 -0.094 0.000 2.502 494 E HA 0.186 4.536 4.350 -0.000 0.000 0.194 494 E C -0.703 175.834 176.600 -0.105 0.000 1.062 494 E CA -0.077 56.274 56.400 -0.082 0.000 0.867 494 E CB 0.401 30.055 29.700 -0.076 0.000 0.888 494 E HN 0.355 nan 8.360 nan 0.000 0.510 495 V N 1.531 121.356 119.914 -0.148 0.000 2.417 495 V HA 0.137 4.257 4.120 -0.000 0.000 0.291 495 V C -0.266 175.777 176.094 -0.085 0.000 1.024 495 V CA -0.974 61.248 62.300 -0.129 0.000 0.861 495 V CB 1.800 33.512 31.823 -0.185 0.000 0.985 495 V HN 0.025 nan 8.190 nan 0.000 0.436 496 D N 3.253 123.621 120.400 -0.053 0.000 2.359 496 D HA 0.182 4.822 4.640 -0.000 0.000 0.230 496 D C 1.144 177.429 176.300 -0.024 0.000 1.118 496 D CA -0.152 53.832 54.000 -0.027 0.000 0.844 496 D CB 1.994 42.787 40.800 -0.012 0.000 1.059 496 D HN 0.600 nan 8.370 nan 0.000 0.493 497 T N 2.844 117.386 114.554 -0.020 0.000 2.699 497 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 497 T C 0.957 175.651 174.700 -0.010 0.000 1.036 497 T CA 1.228 63.317 62.100 -0.018 0.000 1.147 497 T CB 0.028 68.887 68.868 -0.015 0.000 0.862 497 T HN 0.459 nan 8.240 nan 0.000 0.446 498 D N 1.397 121.804 120.400 0.012 0.000 2.123 498 D HA -0.079 4.561 4.640 -0.000 0.000 0.196 498 D C 1.841 178.136 176.300 -0.008 0.000 0.992 498 D CA 1.111 55.128 54.000 0.029 0.000 0.833 498 D CB -0.605 40.248 40.800 0.087 0.000 0.954 498 D HN 0.418 nan 8.370 nan 0.000 0.455 499 D N -0.215 120.185 120.400 -0.001 0.000 2.144 499 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 499 D C 2.110 178.391 176.300 -0.031 0.000 0.984 499 D CA 0.522 54.518 54.000 -0.006 0.000 0.834 499 D CB -0.020 40.776 40.800 -0.006 0.000 0.955 499 D HN 0.065 nan 8.370 nan 0.000 0.465 500 V N 0.169 120.059 119.914 -0.039 0.000 2.379 500 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 500 V C 2.414 178.466 176.094 -0.069 0.000 1.044 500 V CA 0.919 63.195 62.300 -0.040 0.000 1.036 500 V CB -0.351 31.457 31.823 -0.025 0.000 0.664 500 V HN 0.116 nan 8.190 nan 0.000 0.453 501 V N 0.262 120.106 119.914 -0.116 0.000 2.343 501 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 501 V C 2.579 178.480 176.094 -0.322 0.000 1.051 501 V CA 2.346 64.509 62.300 -0.228 0.000 1.036 501 V CB -0.825 30.784 31.823 -0.356 0.000 0.654 501 V HN 0.482 nan 8.190 nan 0.000 0.451 502 R N 0.745 121.076 120.500 -0.283 0.000 2.082 502 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 502 R C 2.685 178.958 176.300 -0.045 0.000 1.136 502 R CA 2.197 58.233 56.100 -0.106 0.000 0.935 502 R CB -1.131 29.180 30.300 0.019 0.000 0.842 502 R HN 0.439 nan 8.270 nan 0.000 0.430 503 S N -0.886 114.790 115.700 -0.040 0.000 2.365 503 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 503 S C 1.923 176.506 174.600 -0.029 0.000 1.039 503 S CA 1.694 59.879 58.200 -0.024 0.000 1.033 503 S CB -0.383 62.804 63.200 -0.022 0.000 0.887 503 S HN 0.222 nan 8.310 nan 0.000 0.447 504 V N 1.932 121.819 119.914 -0.046 0.000 2.427 504 V HA -0.057 4.063 4.120 -0.000 0.000 0.248 504 V C 2.849 178.918 176.094 -0.042 0.000 1.051 504 V CA 1.609 63.882 62.300 -0.044 0.000 1.048 504 V CB -1.320 30.472 31.823 -0.052 0.000 0.666 504 V HN 0.622 nan 8.190 nan 0.000 0.456 505 A N -0.395 122.395 122.820 -0.050 0.000 2.019 505 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 505 A C 1.899 179.485 177.584 0.004 0.000 1.164 505 A CA 1.647 53.673 52.037 -0.018 0.000 0.644 505 A CB -0.532 18.477 19.000 0.014 0.000 0.805 505 A HN 0.541 nan 8.150 nan 0.000 0.449 506 D N -0.524 119.878 120.400 0.004 0.000 2.354 506 D HA -0.056 4.584 4.640 -0.000 0.000 0.216 506 D C 0.841 177.142 176.300 0.001 0.000 0.970 506 D CA 0.894 54.899 54.000 0.008 0.000 0.905 506 D CB 0.056 40.860 40.800 0.007 0.000 0.903 506 D HN 0.317 nan 8.370 nan 0.000 0.508 507 R N 0.000 120.496 120.500 -0.007 0.000 2.786 507 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 507 R CA 0.000 56.094 56.100 -0.009 0.000 0.921 507 R CB 0.000 30.292 30.300 -0.014 0.000 0.687 507 R HN 0.000 nan 8.270 nan 0.000 0.535