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 1ogm_1_X DATA FIRST_RESID 3 DATA SEQUENCE TTANTHCGAD FCTWWHDSGE INTQTPVQPG NVRQSHKYSV QVSLAGTNNF DATA SEQUENCE HDSFVYESIP RNGNGRIYAP TDPPNSNTLD SSVDDGISIE PSIGLNMAWS DATA SEQUENCE QFEYSHDVDV KILATDGSSL GSPSDVVIRP VSISYAISQS DDGGIVIRVP DATA SEQUENCE ADANGRKFSV EFKTDLYTFL SDGNEYVTSG GSVVGVEPTN ALVIFASPFL DATA SEQUENCE PSGMIPHMTP DNTQTMTPGP INNGDWGAKS ILYFPPGVYW MNQDQSGNSG DATA SEQUENCE KLGSNHIRLN SNTYWVYLAP GAYVKGAIEY FTKQNFYATG HGILSGENYV DATA SEQUENCE YQANAGDNYI AVKSDSTSLR MWWHNNLGGG QTWYCVGPTI NAPPFNTMDF DATA SEQUENCE NGNSGISSQI SDYKQVGAFF FQTDGPEIYP NSVVHDVFWH VNDDAIKIYY DATA SEQUENCE SGASVSRATI WKCHNDPIIQ MGWTSRDISG VTIDTLNVIH TRYIKSETVV DATA SEQUENCE PSAIIGASPF YASGMSPDSR KSISMTVSNV VcEGLcPSLF RITPLQNYKN DATA SEQUENCE FVVKNVAFPD GLQTNSIGTG ESIIPAASGL TMGLAISAWT IGGQKVTMEN DATA SEQUENCE FQANSLGQFN IDGSYWGEWQ IS 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.697 174.700 -0.005 0.000 1.109 3 T CA 0.000 62.113 62.100 0.022 0.000 1.349 3 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 4 T N 1.849 116.372 114.554 -0.051 0.000 2.817 4 T HA 0.671 5.023 4.350 0.003 0.000 0.293 4 T C 0.656 175.209 174.700 -0.244 0.000 0.964 4 T CA -0.006 62.035 62.100 -0.099 0.000 1.085 4 T CB 0.749 69.582 68.868 -0.059 0.000 0.921 4 T HN 1.050 nan 8.240 nan 0.000 0.502 5 A N 3.604 126.165 122.820 -0.433 0.000 2.322 5 A HA 0.503 4.825 4.320 0.003 0.000 0.269 5 A C 0.334 177.708 177.584 -0.350 0.000 1.094 5 A CA -0.745 50.878 52.037 -0.690 0.000 0.807 5 A CB 0.214 18.293 19.000 -1.535 0.000 1.047 5 A HN 0.731 nan 8.150 nan 0.000 0.487 6 N N 1.698 120.216 118.700 -0.302 0.000 2.699 6 N HA 0.284 5.026 4.740 0.003 0.000 0.232 6 N C -0.104 175.382 175.510 -0.039 0.000 1.027 6 N CA -0.005 52.950 53.050 -0.159 0.000 0.920 6 N CB 1.215 39.574 38.487 -0.213 0.000 1.148 6 N HN 0.813 nan 8.380 nan 0.000 0.509 7 T N -1.290 113.317 114.554 0.089 0.000 2.897 7 T HA 0.454 4.806 4.350 0.003 0.000 0.278 7 T C -0.315 174.621 174.700 0.394 0.000 0.981 7 T CA -0.402 61.847 62.100 0.249 0.000 0.973 7 T CB 1.921 70.922 68.868 0.220 0.000 1.092 7 T HN 0.481 nan 8.240 nan 0.000 0.543 8 H N -1.441 117.731 119.070 0.170 0.000 2.856 8 H HA 0.573 5.131 4.556 0.003 0.000 0.355 8 H C -1.747 173.504 175.328 -0.128 0.000 1.079 8 H CA -0.962 55.023 56.048 -0.105 0.000 1.240 8 H CB 1.630 30.997 29.762 -0.659 0.000 1.701 8 H HN 0.917 nan 8.280 nan 0.000 0.527 9 C N 5.552 124.434 119.300 -0.698 0.000 2.660 9 C HA 0.873 5.335 4.460 0.003 0.000 0.336 9 C C 0.210 174.899 174.990 -0.502 0.000 1.058 9 C CA 0.599 59.364 59.018 -0.421 0.000 1.368 9 C CB -0.803 26.922 27.740 -0.025 0.000 1.884 9 C HN 1.003 nan 8.230 nan 0.000 0.454 10 G N 2.312 110.808 108.800 -0.507 0.000 3.135 10 G HA2 0.639 4.601 3.960 0.003 0.000 0.278 10 G HA3 0.639 4.601 3.960 0.003 0.000 0.278 10 G C 0.579 175.467 174.900 -0.021 0.000 1.302 10 G CA 0.254 45.230 45.100 -0.207 0.000 0.880 10 G HN 1.049 nan 8.290 nan 0.000 0.574 11 A N -0.703 122.091 122.820 -0.043 0.000 2.169 11 A HA 0.148 4.470 4.320 0.003 0.000 0.212 11 A C 1.763 179.415 177.584 0.114 0.000 1.153 11 A CA 2.015 53.948 52.037 -0.174 0.000 0.756 11 A CB -0.368 18.551 19.000 -0.135 0.000 0.813 11 A HN 0.589 nan 8.150 nan 0.000 0.471 12 D N -0.358 120.244 120.400 0.337 0.000 2.144 12 D HA 0.169 4.811 4.640 0.003 0.000 0.207 12 D C 0.544 177.338 176.300 0.824 0.000 0.970 12 D CA 0.987 55.352 54.000 0.608 0.000 0.853 12 D CB -0.332 40.759 40.800 0.485 0.000 1.007 12 D HN 0.566 nan 8.370 nan 0.000 0.469 13 F N -1.850 118.444 119.950 0.574 0.000 2.713 13 F HA 0.569 5.098 4.527 0.003 0.000 0.311 13 F C -1.753 174.332 175.800 0.474 0.000 1.141 13 F CA -1.818 56.519 58.000 0.562 0.000 0.939 13 F CB 1.591 40.846 39.000 0.425 0.000 1.325 13 F HN 0.028 nan 8.300 nan 0.000 0.453 14 C N 2.846 122.475 119.300 0.548 0.000 2.516 14 C HA 0.848 5.310 4.460 0.003 0.000 0.338 14 C C -0.420 174.861 174.990 0.484 0.000 1.132 14 C CA 0.553 59.808 59.018 0.395 0.000 1.310 14 C CB 0.522 28.571 27.740 0.515 0.000 1.898 14 C HN 1.227 nan 8.230 nan 0.000 0.452 15 T N 2.204 116.981 114.554 0.371 0.000 2.940 15 T HA 0.946 5.297 4.350 0.003 0.000 0.288 15 T C -0.799 174.128 174.700 0.377 0.000 1.045 15 T CA -0.498 61.725 62.100 0.205 0.000 1.018 15 T CB 1.561 70.544 68.868 0.191 0.000 1.151 15 T HN 1.255 nan 8.240 nan 0.000 0.529 16 W N -0.913 120.559 121.300 0.288 0.000 3.018 16 W HA 0.806 5.468 4.660 0.003 0.000 0.352 16 W C -1.970 174.737 176.519 0.314 0.000 1.230 16 W CA -1.495 55.989 57.345 0.232 0.000 1.162 16 W CB 0.802 30.343 29.460 0.135 0.000 1.483 16 W HN 0.851 nan 8.180 nan 0.000 0.584 17 W N 0.316 121.720 121.300 0.173 0.000 3.040 17 W HA 0.559 5.221 4.660 0.003 0.000 0.344 17 W C -1.439 174.878 176.519 -0.336 0.000 1.201 17 W CA -1.203 56.159 57.345 0.028 0.000 1.119 17 W CB 2.354 31.878 29.460 0.107 0.000 1.478 17 W HN 0.570 nan 8.180 nan 0.000 0.586 18 H N 1.075 119.844 119.070 -0.501 0.000 2.667 18 H HA 0.102 4.660 4.556 0.003 0.000 0.353 18 H C 0.571 175.788 175.328 -0.185 0.000 1.072 18 H CA -0.387 55.401 56.048 -0.433 0.000 1.214 18 H CB 1.885 31.096 29.762 -0.918 0.000 1.600 18 H HN 0.248 nan 8.280 nan 0.000 0.527 19 D N 0.843 121.334 120.400 0.152 0.000 2.363 19 D HA -0.094 4.548 4.640 0.003 0.000 0.226 19 D C 0.677 177.035 176.300 0.096 0.000 1.020 19 D CA 0.381 54.494 54.000 0.187 0.000 0.892 19 D CB 0.126 41.025 40.800 0.165 0.000 0.900 19 D HN 0.350 nan 8.370 nan 0.000 0.531 20 S N -1.145 114.565 115.700 0.017 0.000 2.711 20 S HA 0.462 4.934 4.470 0.003 0.000 0.247 20 S C 0.916 175.471 174.600 -0.075 0.000 1.079 20 S CA -0.532 57.649 58.200 -0.032 0.000 1.050 20 S CB 0.072 63.236 63.200 -0.061 0.000 0.885 20 S HN 0.264 nan 8.310 nan 0.000 0.498 21 G N 1.060 109.847 108.800 -0.021 0.000 2.432 21 G HA2 0.378 4.340 3.960 0.003 0.000 0.239 21 G HA3 0.378 4.340 3.960 0.003 0.000 0.239 21 G C -0.536 174.360 174.900 -0.006 0.000 1.291 21 G CA -0.209 44.919 45.100 0.046 0.000 0.863 21 G HN 0.548 nan 8.290 nan 0.000 0.560 22 E N 1.512 121.692 120.200 -0.033 0.000 2.260 22 E HA 0.264 4.616 4.350 0.003 0.000 0.266 22 E C -0.494 176.075 176.600 -0.052 0.000 0.887 22 E CA -0.897 55.475 56.400 -0.047 0.000 0.777 22 E CB 1.152 30.813 29.700 -0.065 0.000 1.205 22 E HN 0.222 nan 8.360 nan 0.000 0.414 23 I N 4.181 124.723 120.570 -0.047 0.000 2.396 23 I HA 0.279 4.451 4.170 0.003 0.000 0.289 23 I C -0.085 176.007 176.117 -0.042 0.000 1.056 23 I CA -0.094 61.182 61.300 -0.040 0.000 1.365 23 I CB 0.219 38.201 38.000 -0.031 0.000 1.407 23 I HN 0.491 nan 8.210 nan 0.000 0.509 24 N N 4.413 123.088 118.700 -0.042 0.000 2.777 24 N HA 0.080 4.822 4.740 0.003 0.000 0.260 24 N C 0.069 175.541 175.510 -0.064 0.000 1.113 24 N CA -0.217 52.800 53.050 -0.056 0.000 0.996 24 N CB 1.485 39.943 38.487 -0.049 0.000 1.584 24 N HN 0.601 nan 8.380 nan 0.000 0.573 25 T N -0.365 114.123 114.554 -0.109 0.000 3.092 25 T HA 0.221 4.573 4.350 0.003 0.000 0.258 25 T C 0.483 175.114 174.700 -0.115 0.000 1.031 25 T CA 0.243 62.259 62.100 -0.140 0.000 0.925 25 T CB 0.335 69.035 68.868 -0.281 0.000 1.036 25 T HN 0.363 nan 8.240 nan 0.000 0.544 26 Q N 1.145 120.893 119.800 -0.087 0.000 2.384 26 Q HA 0.240 4.582 4.340 0.003 0.000 0.264 26 Q C 0.857 176.826 176.000 -0.051 0.000 0.825 26 Q CA 0.902 56.661 55.803 -0.074 0.000 0.984 26 Q CB 1.419 30.113 28.738 -0.074 0.000 1.183 26 Q HN 0.716 nan 8.270 nan 0.000 0.537 27 T N -1.455 113.073 114.554 -0.043 0.000 2.838 27 T HA 0.639 4.991 4.350 0.003 0.000 0.292 27 T C -2.925 171.759 174.700 -0.026 0.000 1.113 27 T CA -2.202 59.880 62.100 -0.030 0.000 1.008 27 T CB 1.990 70.838 68.868 -0.032 0.000 1.259 27 T HN -0.286 nan 8.240 nan 0.000 0.520 28 P HA 0.295 nan 4.420 nan 0.000 0.269 28 P C 0.223 177.493 177.300 -0.049 0.000 1.209 28 P CA -0.595 62.489 63.100 -0.025 0.000 0.776 28 P CB 0.266 31.950 31.700 -0.027 0.000 0.876 29 V N 0.260 120.139 119.914 -0.058 0.000 3.264 29 V HA 0.211 4.333 4.120 0.003 0.000 0.304 29 V C 0.425 176.437 176.094 -0.136 0.000 1.086 29 V CA -0.703 61.543 62.300 -0.090 0.000 1.090 29 V CB -0.061 31.706 31.823 -0.095 0.000 1.112 29 V HN 0.338 nan 8.190 nan 0.000 0.472 30 Q N 1.780 121.483 119.800 -0.161 0.000 2.432 30 Q HA 0.178 4.520 4.340 0.003 0.000 0.264 30 Q C -1.561 174.216 176.000 -0.371 0.000 1.035 30 Q CA -1.363 54.306 55.803 -0.225 0.000 0.908 30 Q CB 0.319 28.940 28.738 -0.195 0.000 1.280 30 Q HN 0.587 nan 8.270 nan 0.000 0.455 31 P HA -0.162 nan 4.420 nan 0.000 0.216 31 P C 0.853 177.372 177.300 -1.301 0.000 1.154 31 P CA 1.884 64.330 63.100 -1.090 0.000 0.865 31 P CB 0.129 30.927 31.700 -1.504 0.000 0.789 32 G N -2.524 105.633 108.800 -1.073 0.000 2.985 32 G HA2 -0.013 3.949 3.960 0.003 0.000 0.209 32 G HA3 -0.013 3.949 3.960 0.003 0.000 0.209 32 G C 0.503 175.254 174.900 -0.249 0.000 1.165 32 G CA -0.020 44.743 45.100 -0.562 0.000 0.776 32 G HN 0.239 nan 8.290 nan 0.000 0.541 33 N N -0.581 117.951 118.700 -0.281 0.000 2.477 33 N HA 0.524 5.266 4.740 0.003 0.000 0.284 33 N C -0.967 174.378 175.510 -0.275 0.000 1.182 33 N CA -0.526 52.391 53.050 -0.221 0.000 0.949 33 N CB 2.333 40.716 38.487 -0.174 0.000 1.204 33 N HN -0.120 nan 8.380 nan 0.000 0.526 34 V N 0.493 120.218 119.914 -0.315 0.000 2.577 34 V HA 0.372 4.494 4.120 0.003 0.000 0.303 34 V C -0.254 175.727 176.094 -0.189 0.000 1.042 34 V CA -0.916 61.115 62.300 -0.447 0.000 0.872 34 V CB 1.300 32.597 31.823 -0.875 0.000 0.998 34 V HN 0.590 nan 8.190 nan 0.000 0.423 35 R N 4.663 125.090 120.500 -0.121 0.000 2.484 35 R HA 0.200 4.542 4.340 0.003 0.000 0.293 35 R C -0.240 176.047 176.300 -0.022 0.000 1.023 35 R CA 0.252 56.333 56.100 -0.032 0.000 1.037 35 R CB 0.442 30.757 30.300 0.026 0.000 0.951 35 R HN 0.857 nan 8.270 nan 0.000 0.418 36 Q N 2.333 122.076 119.800 -0.094 0.000 2.342 36 Q HA 0.165 4.507 4.340 0.003 0.000 0.267 36 Q C -0.942 174.911 176.000 -0.245 0.000 1.038 36 Q CA -0.524 55.089 55.803 -0.316 0.000 0.832 36 Q CB 1.992 30.495 28.738 -0.391 0.000 1.323 36 Q HN 0.644 nan 8.270 nan 0.000 0.448 37 S N 1.628 117.132 115.700 -0.327 0.000 2.546 37 S HA -0.076 4.395 4.470 0.003 0.000 0.290 37 S C 0.935 175.418 174.600 -0.194 0.000 1.290 37 S CA 0.040 58.113 58.200 -0.211 0.000 1.069 37 S CB 0.224 63.306 63.200 -0.197 0.000 0.846 37 S HN 0.837 nan 8.310 nan 0.000 0.495 38 H N 3.724 122.705 119.070 -0.149 0.000 2.551 38 H HA 0.255 4.812 4.556 0.003 0.000 0.266 38 H C 1.268 176.472 175.328 -0.207 0.000 0.977 38 H CA 0.707 56.661 56.048 -0.156 0.000 1.163 38 H CB 0.147 29.831 29.762 -0.129 0.000 1.381 38 H HN 0.701 nan 8.280 nan 0.000 0.581 39 K N -0.426 119.535 120.400 -0.733 0.000 2.504 39 K HA 0.135 4.457 4.320 0.003 0.000 0.203 39 K C -0.770 175.399 176.600 -0.719 0.000 1.350 39 K CA -0.159 55.637 56.287 -0.818 0.000 0.953 39 K CB 0.960 32.695 32.500 -1.275 0.000 1.243 39 K HN 0.100 nan 8.250 nan 0.000 0.534 40 Y N 0.956 121.108 120.300 -0.246 0.000 2.446 40 Y HA 0.338 4.890 4.550 0.003 0.000 0.345 40 Y C -0.263 175.532 175.900 -0.175 0.000 0.984 40 Y CA -1.223 56.768 58.100 -0.182 0.000 1.058 40 Y CB 2.108 40.486 38.460 -0.137 0.000 1.220 40 Y HN -0.049 nan 8.280 nan 0.000 0.455 41 S N 1.171 116.890 115.700 0.030 0.000 2.537 41 S HA 0.869 5.341 4.470 0.003 0.000 0.301 41 S C -1.190 173.398 174.600 -0.021 0.000 1.092 41 S CA -0.698 57.494 58.200 -0.014 0.000 1.048 41 S CB 1.720 64.906 63.200 -0.023 0.000 1.053 41 S HN 0.385 nan 8.310 nan 0.000 0.501 42 V N 2.472 122.367 119.914 -0.033 0.000 2.656 42 V HA 0.557 4.679 4.120 0.003 0.000 0.307 42 V C -0.596 175.482 176.094 -0.027 0.000 1.051 42 V CA -0.565 61.705 62.300 -0.049 0.000 0.893 42 V CB 1.599 33.381 31.823 -0.068 0.000 0.999 42 V HN 1.016 nan 8.190 nan 0.000 0.426 43 Q N 2.479 122.251 119.800 -0.046 0.000 2.456 43 Q HA 0.824 5.166 4.340 0.003 0.000 0.283 43 Q C -1.700 174.347 176.000 0.078 0.000 1.084 43 Q CA -0.869 54.955 55.803 0.034 0.000 0.801 43 Q CB 3.236 32.002 28.738 0.047 0.000 1.434 43 Q HN 0.509 nan 8.270 nan 0.000 0.419 44 V N 0.652 120.615 119.914 0.081 0.000 2.656 44 V HA 0.663 4.785 4.120 0.003 0.000 0.307 44 V C -0.820 175.121 176.094 -0.255 0.000 1.051 44 V CA -0.584 61.584 62.300 -0.220 0.000 0.893 44 V CB 1.901 33.293 31.823 -0.718 0.000 0.999 44 V HN 0.745 nan 8.190 nan 0.000 0.426 45 S N 3.389 118.755 115.700 -0.556 0.000 2.548 45 S HA 0.698 5.170 4.470 0.003 0.000 0.286 45 S C -0.640 173.579 174.600 -0.634 0.000 1.098 45 S CA -0.626 57.156 58.200 -0.697 0.000 0.930 45 S CB 1.335 63.785 63.200 -1.251 0.000 1.070 45 S HN 0.640 nan 8.310 nan 0.000 0.480 46 L N 3.071 124.056 121.223 -0.396 0.000 2.543 46 L HA 0.122 4.464 4.340 0.003 0.000 0.285 46 L C 1.027 177.793 176.870 -0.173 0.000 1.236 46 L CA -0.229 54.503 54.840 -0.179 0.000 0.871 46 L CB 0.170 42.220 42.059 -0.016 0.000 1.121 46 L HN 0.893 nan 8.230 nan 0.000 0.501 47 A N 3.127 125.902 122.820 -0.076 0.000 2.561 47 A HA 0.349 4.671 4.320 0.003 0.000 0.251 47 A C 1.271 178.827 177.584 -0.046 0.000 1.062 47 A CA 0.589 52.602 52.037 -0.040 0.000 0.761 47 A CB -0.322 18.698 19.000 0.033 0.000 0.986 47 A HN 1.199 nan 8.150 nan 0.000 0.510 48 G N 1.849 110.619 108.800 -0.050 0.000 2.184 48 G HA2 -0.296 3.666 3.960 0.003 0.000 0.264 48 G HA3 -0.296 3.666 3.960 0.003 0.000 0.264 48 G C 0.926 175.792 174.900 -0.055 0.000 0.975 48 G CA 1.408 46.490 45.100 -0.030 0.000 0.642 48 G HN 2.048 nan 8.290 nan 0.000 0.536 49 T N -2.563 111.921 114.554 -0.115 0.000 3.060 49 T HA 0.229 4.580 4.350 0.003 0.000 0.249 49 T C 0.961 175.581 174.700 -0.132 0.000 1.079 49 T CA 1.054 63.088 62.100 -0.111 0.000 1.013 49 T CB -0.162 68.640 68.868 -0.109 0.000 0.975 49 T HN 1.006 nan 8.240 nan 0.000 0.518 50 N N 1.470 120.048 118.700 -0.203 0.000 2.727 50 N HA -0.218 4.524 4.740 0.003 0.000 0.249 50 N C -0.591 174.836 175.510 -0.138 0.000 1.048 50 N CA 0.460 53.436 53.050 -0.123 0.000 0.714 50 N CB -1.252 37.265 38.487 0.051 0.000 0.959 50 N HN 0.750 nan 8.380 nan 0.000 0.544 51 N N 0.985 119.481 118.700 -0.339 0.000 2.844 51 N HA 0.180 4.922 4.740 0.003 0.000 0.268 51 N C -1.162 174.304 175.510 -0.075 0.000 1.574 51 N CA -0.425 52.556 53.050 -0.116 0.000 0.838 51 N CB 0.280 38.750 38.487 -0.027 0.000 1.177 51 N HN 0.066 nan 8.380 nan 0.000 0.495 52 F N 1.331 121.317 119.950 0.060 0.000 2.396 52 F HA 0.295 4.824 4.527 0.003 0.000 0.343 52 F C 0.436 176.222 175.800 -0.023 0.000 1.104 52 F CA -0.147 57.891 58.000 0.064 0.000 1.161 52 F CB 0.777 39.760 39.000 -0.029 0.000 1.146 52 F HN 0.364 nan 8.300 nan 0.000 0.522 53 H N 0.962 120.149 119.070 0.195 0.000 2.538 53 H HA 0.263 4.821 4.556 0.003 0.000 0.353 53 H C -0.715 174.670 175.328 0.096 0.000 1.109 53 H CA -1.034 55.102 56.048 0.147 0.000 1.192 53 H CB 0.928 30.846 29.762 0.259 0.000 1.555 53 H HN 0.444 nan 8.280 nan 0.000 0.518 54 D N 0.879 121.313 120.400 0.057 0.000 2.443 54 D HA 0.111 4.753 4.640 0.003 0.000 0.239 54 D C -0.092 176.305 176.300 0.163 0.000 1.136 54 D CA 0.460 54.460 54.000 0.001 0.000 0.879 54 D CB 1.143 41.724 40.800 -0.365 0.000 1.195 54 D HN 0.282 nan 8.370 nan 0.000 0.443 55 S N 2.160 117.982 115.700 0.204 0.000 2.647 55 S HA 0.286 4.758 4.470 0.003 0.000 0.300 55 S C -0.717 173.974 174.600 0.151 0.000 1.129 55 S CA -0.812 57.460 58.200 0.121 0.000 1.029 55 S CB 0.294 63.478 63.200 -0.026 0.000 1.007 55 S HN 0.296 nan 8.310 nan 0.000 0.484 56 F N 5.165 125.050 119.950 -0.108 0.000 2.607 56 F HA 0.341 4.870 4.527 0.003 0.000 0.374 56 F C -0.144 175.321 175.800 -0.558 0.000 1.104 56 F CA 0.441 58.132 58.000 -0.515 0.000 1.296 56 F CB 0.637 39.181 39.000 -0.760 0.000 1.085 56 F HN 0.326 nan 8.300 nan 0.000 0.584 57 V N 7.678 126.972 119.914 -1.034 0.000 2.313 57 V HA 0.194 4.316 4.120 0.003 0.000 0.278 57 V C -0.529 175.013 176.094 -0.919 0.000 1.017 57 V CA -0.844 61.023 62.300 -0.723 0.000 0.823 57 V CB 0.099 31.665 31.823 -0.427 0.000 1.010 57 V HN 0.567 nan 8.190 nan 0.000 0.443 58 Y N 2.351 122.267 120.300 -0.640 0.000 2.314 58 Y HA 0.482 5.034 4.550 0.003 0.000 0.334 58 Y C 0.662 176.257 175.900 -0.508 0.000 1.266 58 Y CA -0.124 57.574 58.100 -0.670 0.000 1.391 58 Y CB 0.727 38.314 38.460 -1.454 0.000 1.306 58 Y HN 0.630 nan 8.280 nan 0.000 0.558 59 E N 0.388 120.560 120.200 -0.046 0.000 2.314 59 E HA 0.504 4.855 4.350 0.003 0.000 0.272 59 E C -1.699 175.092 176.600 0.317 0.000 0.884 59 E CA -0.614 55.878 56.400 0.152 0.000 0.753 59 E CB 1.788 31.538 29.700 0.083 0.000 1.213 59 E HN 0.513 nan 8.360 nan 0.000 0.432 60 S N 4.077 120.021 115.700 0.406 0.000 2.538 60 S HA 0.651 5.122 4.470 0.003 0.000 0.288 60 S C -0.840 173.954 174.600 0.323 0.000 1.108 60 S CA -0.746 57.687 58.200 0.388 0.000 0.971 60 S CB 0.644 64.110 63.200 0.444 0.000 1.041 60 S HN 0.503 nan 8.310 nan 0.000 0.483 61 I N 1.059 121.743 120.570 0.190 0.000 2.785 61 I HA 0.705 4.877 4.170 0.003 0.000 0.302 61 I C -2.919 173.072 176.117 -0.209 0.000 1.069 61 I CA -3.171 58.103 61.300 -0.043 0.000 1.045 61 I CB 1.997 39.957 38.000 -0.067 0.000 1.236 61 I HN 0.313 nan 8.210 nan 0.000 0.429 62 P HA 0.124 nan 4.420 nan 0.000 0.261 62 P C -0.456 176.657 177.300 -0.311 0.000 1.183 62 P CA 0.386 63.116 63.100 -0.616 0.000 0.761 62 P CB 0.333 31.626 31.700 -0.679 0.000 0.785 63 R N 2.206 122.493 120.500 -0.354 0.000 3.994 63 R HA -0.283 4.059 4.340 0.003 0.000 0.403 63 R C 0.236 176.520 176.300 -0.027 0.000 1.126 63 R CA 0.981 56.977 56.100 -0.174 0.000 1.143 63 R CB -2.632 27.660 30.300 -0.013 0.000 1.695 63 R HN 0.631 nan 8.270 nan 0.000 0.555 64 N N -2.053 116.621 118.700 -0.043 0.000 2.753 64 N HA -0.260 4.482 4.740 0.003 0.000 0.251 64 N C 0.762 176.288 175.510 0.027 0.000 1.097 64 N CA 1.028 54.099 53.050 0.034 0.000 0.786 64 N CB -1.087 37.454 38.487 0.091 0.000 1.137 64 N HN 0.751 nan 8.380 nan 0.000 0.566 65 G N -0.928 107.870 108.800 -0.002 0.000 2.234 65 G HA2 -0.412 3.550 3.960 0.003 0.000 0.260 65 G HA3 -0.412 3.550 3.960 0.003 0.000 0.260 65 G C 0.643 175.552 174.900 0.015 0.000 0.987 65 G CA 0.784 45.881 45.100 -0.006 0.000 0.625 65 G HN 0.595 nan 8.290 nan 0.000 0.532 66 N N 0.782 119.511 118.700 0.048 0.000 2.354 66 N HA 0.357 5.098 4.740 0.003 0.000 0.179 66 N C 1.687 177.243 175.510 0.078 0.000 1.021 66 N CA 1.165 54.258 53.050 0.072 0.000 0.887 66 N CB -0.014 38.544 38.487 0.119 0.000 0.974 66 N HN 1.426 nan 8.380 nan 0.000 0.437 67 G N 1.080 109.925 108.800 0.075 0.000 2.598 67 G HA2 -0.333 3.628 3.960 0.003 0.000 0.244 67 G HA3 -0.333 3.628 3.960 0.003 0.000 0.244 67 G C -0.557 174.417 174.900 0.124 0.000 1.302 67 G CA -0.526 44.617 45.100 0.073 0.000 0.903 67 G HN 0.277 nan 8.290 nan 0.000 0.575 68 R N 0.816 121.378 120.500 0.104 0.000 3.266 68 R HA 0.403 4.745 4.340 0.003 0.000 0.224 68 R C 0.601 176.980 176.300 0.133 0.000 1.525 68 R CA 0.299 56.473 56.100 0.124 0.000 1.364 68 R CB -0.623 29.733 30.300 0.093 0.000 1.276 68 R HN 0.593 nan 8.270 nan 0.000 0.660 69 I N -2.603 118.062 120.570 0.158 0.000 2.603 69 I HA 0.279 4.450 4.170 0.003 0.000 0.300 69 I C 0.220 176.460 176.117 0.205 0.000 1.017 69 I CA -1.036 60.364 61.300 0.166 0.000 1.098 69 I CB 1.352 39.433 38.000 0.136 0.000 1.279 69 I HN 0.223 nan 8.210 nan 0.000 0.437 70 Y N 4.151 124.495 120.300 0.074 0.000 2.397 70 Y HA 0.526 5.078 4.550 0.003 0.000 0.292 70 Y C 0.732 176.671 175.900 0.065 0.000 1.115 70 Y CA 0.468 58.607 58.100 0.064 0.000 1.208 70 Y CB 0.410 38.900 38.460 0.051 0.000 1.046 70 Y HN 0.778 nan 8.280 nan 0.000 0.552 71 A N 0.185 123.071 122.820 0.109 0.000 2.475 71 A HA 0.500 4.822 4.320 0.003 0.000 0.301 71 A C -2.232 175.399 177.584 0.079 0.000 1.059 71 A CA -1.435 50.630 52.037 0.046 0.000 0.710 71 A CB 0.904 19.966 19.000 0.103 0.000 1.288 71 A HN 0.024 nan 8.150 nan 0.000 0.408 72 P HA -0.062 nan 4.420 nan 0.000 0.230 72 P C 1.030 178.364 177.300 0.055 0.000 1.158 72 P CA 1.645 64.788 63.100 0.071 0.000 0.769 72 P CB -0.069 31.674 31.700 0.072 0.000 0.807 73 T N -5.139 109.452 114.554 0.063 0.000 3.086 73 T HA 0.099 4.451 4.350 0.003 0.000 0.250 73 T C 0.485 175.219 174.700 0.058 0.000 1.074 73 T CA -0.333 61.800 62.100 0.055 0.000 0.988 73 T CB -0.480 68.422 68.868 0.058 0.000 0.988 73 T HN -0.095 nan 8.240 nan 0.000 0.530 74 D N 3.502 123.944 120.400 0.071 0.000 2.372 74 D HA 0.295 4.937 4.640 0.003 0.000 0.243 74 D C -2.355 173.978 176.300 0.054 0.000 1.121 74 D CA -1.653 52.390 54.000 0.072 0.000 0.898 74 D CB 0.722 41.579 40.800 0.095 0.000 1.202 74 D HN 0.170 nan 8.370 nan 0.000 0.428 75 P HA 0.137 nan 4.420 nan 0.000 0.268 75 P C -2.465 174.856 177.300 0.035 0.000 1.205 75 P CA -0.914 62.205 63.100 0.032 0.000 0.771 75 P CB -0.243 31.472 31.700 0.026 0.000 0.858 76 P HA -0.001 nan 4.420 nan 0.000 0.268 76 P C -0.369 176.946 177.300 0.025 0.000 1.205 76 P CA 0.242 63.358 63.100 0.027 0.000 0.771 76 P CB -0.064 31.642 31.700 0.011 0.000 0.858 77 N N -0.258 118.462 118.700 0.033 0.000 2.754 77 N HA -0.178 4.564 4.740 0.003 0.000 0.248 77 N C 0.272 175.799 175.510 0.027 0.000 1.093 77 N CA 0.895 53.961 53.050 0.026 0.000 0.699 77 N CB -1.914 36.577 38.487 0.008 0.000 1.016 77 N HN 0.528 nan 8.380 nan 0.000 0.552 78 S N -0.953 114.770 115.700 0.038 0.000 2.540 78 S HA 0.170 4.642 4.470 0.003 0.000 0.218 78 S C 0.691 175.316 174.600 0.042 0.000 0.977 78 S CA 0.234 58.456 58.200 0.036 0.000 0.918 78 S CB 0.401 63.624 63.200 0.038 0.000 0.806 78 S HN 0.454 nan 8.310 nan 0.000 0.496 79 N N 1.467 120.198 118.700 0.051 0.000 2.758 79 N HA -0.162 4.580 4.740 0.003 0.000 0.248 79 N C 0.667 176.209 175.510 0.054 0.000 1.076 79 N CA 1.115 54.196 53.050 0.051 0.000 0.696 79 N CB -1.829 36.679 38.487 0.036 0.000 0.979 79 N HN 0.722 nan 8.380 nan 0.000 0.550 80 T N -3.508 111.090 114.554 0.074 0.000 3.067 80 T HA 0.117 4.468 4.350 0.003 0.000 0.257 80 T C 0.895 175.644 174.700 0.081 0.000 1.105 80 T CA -0.088 62.054 62.100 0.069 0.000 1.104 80 T CB 0.175 69.102 68.868 0.099 0.000 0.925 80 T HN 0.252 nan 8.240 nan 0.000 0.498 81 L N 2.951 124.252 121.223 0.131 0.000 2.485 81 L HA 0.301 4.643 4.340 0.003 0.000 0.275 81 L C 0.143 177.064 176.870 0.086 0.000 1.207 81 L CA -0.207 54.728 54.840 0.158 0.000 0.855 81 L CB 0.197 42.363 42.059 0.178 0.000 1.114 81 L HN 0.198 nan 8.230 nan 0.000 0.485 82 D N 1.131 121.573 120.400 0.070 0.000 2.488 82 D HA -0.023 4.619 4.640 0.003 0.000 0.238 82 D C 1.170 177.507 176.300 0.062 0.000 1.138 82 D CA 0.978 55.001 54.000 0.038 0.000 0.873 82 D CB 0.954 41.773 40.800 0.031 0.000 1.183 82 D HN 0.681 nan 8.370 nan 0.000 0.458 83 S N 1.248 116.976 115.700 0.046 0.000 2.469 83 S HA -0.196 4.276 4.470 0.003 0.000 0.238 83 S C 1.792 176.429 174.600 0.062 0.000 0.998 83 S CA 0.951 59.182 58.200 0.051 0.000 0.957 83 S CB -0.356 62.867 63.200 0.038 0.000 0.764 83 S HN 0.469 nan 8.310 nan 0.000 0.514 84 S N 0.411 116.150 115.700 0.065 0.000 2.527 84 S HA 0.197 4.669 4.470 0.003 0.000 0.222 84 S C 0.469 175.131 174.600 0.104 0.000 0.985 84 S CA -0.272 57.973 58.200 0.076 0.000 0.921 84 S CB -0.474 62.765 63.200 0.065 0.000 0.772 84 S HN 0.292 nan 8.310 nan 0.000 0.529 85 V N 3.216 123.202 119.914 0.120 0.000 2.455 85 V HA 0.309 4.431 4.120 0.003 0.000 0.273 85 V C -0.169 176.017 176.094 0.154 0.000 1.045 85 V CA -0.577 61.822 62.300 0.164 0.000 0.976 85 V CB 0.997 32.939 31.823 0.198 0.000 0.993 85 V HN 0.337 nan 8.190 nan 0.000 0.475 86 D N 4.061 124.581 120.400 0.202 0.000 2.359 86 D HA 0.154 4.796 4.640 0.003 0.000 0.230 86 D C 0.559 176.959 176.300 0.166 0.000 1.118 86 D CA -0.580 53.540 54.000 0.199 0.000 0.844 86 D CB 1.484 42.479 40.800 0.324 0.000 1.059 86 D HN 0.693 nan 8.370 nan 0.000 0.493 87 D N 2.541 122.864 120.400 -0.129 0.000 2.328 87 D HA 0.136 4.778 4.640 0.003 0.000 0.226 87 D C 1.377 177.340 176.300 -0.562 0.000 1.066 87 D CA 0.299 53.929 54.000 -0.618 0.000 0.861 87 D CB -0.049 40.332 40.800 -0.699 0.000 0.912 87 D HN 0.583 nan 8.370 nan 0.000 0.521 88 G N -0.104 108.198 108.800 -0.829 0.000 2.176 88 G HA2 -0.225 3.737 3.960 0.003 0.000 0.232 88 G HA3 -0.225 3.737 3.960 0.003 0.000 0.232 88 G C -0.026 174.685 174.900 -0.314 0.000 0.986 88 G CA 0.097 44.403 45.100 -1.324 0.000 0.643 88 G HN 0.401 nan 8.290 nan 0.000 0.522 89 I N 1.221 121.693 120.570 -0.164 0.000 2.509 89 I HA 0.625 4.797 4.170 0.003 0.000 0.293 89 I C 0.889 177.001 176.117 -0.008 0.000 1.020 89 I CA 0.071 61.350 61.300 -0.034 0.000 1.088 89 I CB 2.213 40.178 38.000 -0.058 0.000 1.267 89 I HN 0.259 nan 8.210 nan 0.000 0.430 90 S N 5.253 120.978 115.700 0.042 0.000 4.238 90 S HA 0.283 4.755 4.470 0.003 0.000 0.167 90 S C 1.172 175.812 174.600 0.066 0.000 0.921 90 S CA -0.281 57.958 58.200 0.065 0.000 1.128 90 S CB -0.150 63.109 63.200 0.099 0.000 1.636 90 S HN 0.555 nan 8.310 nan 0.000 0.753 91 I N 2.235 122.880 120.570 0.124 0.000 3.059 91 I HA 0.100 4.272 4.170 0.003 0.000 0.270 91 I C 1.853 177.938 176.117 -0.054 0.000 1.238 91 I CA 0.713 62.042 61.300 0.049 0.000 1.478 91 I CB -0.103 37.959 38.000 0.103 0.000 1.097 91 I HN 0.377 nan 8.210 nan 0.000 0.455 92 E N 1.283 121.461 120.200 -0.036 0.000 2.070 92 E HA -0.218 4.133 4.350 0.003 0.000 0.197 92 E C -0.764 175.723 176.600 -0.188 0.000 1.004 92 E CA 1.745 58.081 56.400 -0.107 0.000 0.805 92 E CB -1.439 28.204 29.700 -0.095 0.000 0.744 92 E HN 0.465 nan 8.360 nan 0.000 0.451 93 P HA -0.167 nan 4.420 nan 0.000 0.217 93 P C 1.359 178.568 177.300 -0.152 0.000 1.150 93 P CA 1.922 64.922 63.100 -0.166 0.000 0.832 93 P CB -0.070 31.553 31.700 -0.129 0.000 0.787 94 S N -0.190 115.431 115.700 -0.132 0.000 2.447 94 S HA -0.129 4.343 4.470 0.003 0.000 0.233 94 S C 1.625 176.125 174.600 -0.167 0.000 1.006 94 S CA 1.240 59.367 58.200 -0.121 0.000 0.957 94 S CB -1.404 61.747 63.200 -0.082 0.000 0.773 94 S HN 0.224 nan 8.310 nan 0.000 0.507 95 I N -2.259 118.155 120.570 -0.260 0.000 3.956 95 I HA 0.633 4.805 4.170 0.003 0.000 0.333 95 I C 1.328 177.257 176.117 -0.313 0.000 1.302 95 I CA 0.147 61.223 61.300 -0.373 0.000 1.122 95 I CB -0.209 37.316 38.000 -0.792 0.000 1.013 95 I HN 0.271 nan 8.210 nan 0.000 0.405 96 G N 1.361 110.022 108.800 -0.233 0.000 2.132 96 G HA2 -0.253 3.709 3.960 0.003 0.000 0.234 96 G HA3 -0.253 3.709 3.960 0.003 0.000 0.234 96 G C -0.108 174.710 174.900 -0.138 0.000 0.989 96 G CA 0.095 45.094 45.100 -0.169 0.000 0.676 96 G HN 0.432 nan 8.290 nan 0.000 0.522 97 L N 1.454 122.568 121.223 -0.181 0.000 2.499 97 L HA 0.528 4.870 4.340 0.003 0.000 0.273 97 L C 0.427 177.216 176.870 -0.135 0.000 1.195 97 L CA 0.949 55.721 54.840 -0.113 0.000 0.882 97 L CB 0.227 42.233 42.059 -0.088 0.000 1.133 97 L HN 0.725 nan 8.230 nan 0.000 0.483 98 N N 3.490 122.201 118.700 0.018 0.000 2.823 98 N HA 0.525 5.267 4.740 0.003 0.000 0.251 98 N C -1.346 174.287 175.510 0.206 0.000 1.392 98 N CA -0.944 52.160 53.050 0.091 0.000 0.864 98 N CB 1.019 39.567 38.487 0.103 0.000 1.481 98 N HN 0.555 nan 8.380 nan 0.000 0.508 99 M N 1.376 121.132 119.600 0.260 0.000 2.190 99 M HA 0.746 5.228 4.480 0.003 0.000 0.312 99 M C -1.621 174.835 176.300 0.260 0.000 0.990 99 M CA -0.430 54.942 55.300 0.120 0.000 0.927 99 M CB 1.473 33.981 32.600 -0.152 0.000 1.571 99 M HN 0.882 nan 8.290 nan 0.000 0.427 100 A N 4.644 127.597 122.820 0.222 0.000 2.320 100 A HA 0.916 5.237 4.320 0.003 0.000 0.334 100 A C -1.805 175.931 177.584 0.253 0.000 1.147 100 A CA -0.504 51.675 52.037 0.237 0.000 0.820 100 A CB 0.733 19.812 19.000 0.131 0.000 1.218 100 A HN 1.047 nan 8.150 nan 0.000 0.482 101 W N 0.287 121.551 121.300 -0.060 0.000 3.213 101 W HA 0.714 5.376 4.660 0.003 0.000 0.318 101 W C -1.071 175.428 176.519 -0.034 0.000 1.248 101 W CA -0.436 56.788 57.345 -0.202 0.000 1.187 101 W CB 1.032 30.282 29.460 -0.349 0.000 1.403 101 W HN 0.764 nan 8.180 nan 0.000 0.556 102 S N 1.632 117.266 115.700 -0.111 0.000 2.547 102 S HA 0.448 4.920 4.470 0.003 0.000 0.281 102 S C -1.475 173.140 174.600 0.025 0.000 1.118 102 S CA -0.560 57.600 58.200 -0.066 0.000 0.947 102 S CB 1.648 64.779 63.200 -0.115 0.000 1.053 102 S HN 0.645 nan 8.310 nan 0.000 0.482 103 Q N 3.494 123.385 119.800 0.152 0.000 2.337 103 Q HA 0.728 5.070 4.340 0.003 0.000 0.266 103 Q C -1.427 174.480 176.000 -0.155 0.000 1.023 103 Q CA -0.799 55.084 55.803 0.135 0.000 0.829 103 Q CB 1.113 30.155 28.738 0.507 0.000 1.306 103 Q HN 0.673 nan 8.270 nan 0.000 0.449 104 F N -0.431 119.411 119.950 -0.180 0.000 2.650 104 F HA 0.656 5.184 4.527 0.003 0.000 0.320 104 F C -1.017 174.773 175.800 -0.016 0.000 1.091 104 F CA -1.127 56.757 58.000 -0.194 0.000 0.962 104 F CB 1.305 40.226 39.000 -0.132 0.000 1.363 104 F HN 0.396 nan 8.300 nan 0.000 0.482 105 E N 0.752 121.097 120.200 0.241 0.000 2.202 105 E HA 0.504 4.856 4.350 0.003 0.000 0.272 105 E C -1.769 174.920 176.600 0.149 0.000 0.951 105 E CA -0.949 55.379 56.400 -0.120 0.000 0.813 105 E CB 2.447 31.847 29.700 -0.501 0.000 1.151 105 E HN 0.746 nan 8.360 nan 0.000 0.398 106 Y N -1.632 118.542 120.300 -0.210 0.000 2.592 106 Y HA 0.431 4.983 4.550 0.003 0.000 0.334 106 Y C -0.208 175.867 175.900 0.292 0.000 1.136 106 Y CA -0.854 57.394 58.100 0.246 0.000 1.042 106 Y CB 1.317 40.045 38.460 0.446 0.000 1.325 106 Y HN 0.459 nan 8.280 nan 0.000 0.457 107 S N -0.496 115.362 115.700 0.264 0.000 2.787 107 S HA 0.396 4.868 4.470 0.003 0.000 0.255 107 S C -0.835 173.555 174.600 -0.350 0.000 1.051 107 S CA -0.096 58.065 58.200 -0.066 0.000 1.124 107 S CB -0.308 62.947 63.200 0.092 0.000 1.104 107 S HN 0.865 nan 8.310 nan 0.000 0.623 108 H N 0.838 120.000 119.070 0.152 0.000 2.928 108 H HA 0.555 5.113 4.556 0.003 0.000 0.371 108 H C -1.401 174.080 175.328 0.256 0.000 1.186 108 H CA -0.863 55.287 56.048 0.169 0.000 1.134 108 H CB 0.866 30.747 29.762 0.198 0.000 1.824 108 H HN 0.051 nan 8.280 nan 0.000 0.554 109 D N 1.596 122.195 120.400 0.332 0.000 2.488 109 D HA 0.207 4.849 4.640 0.003 0.000 0.238 109 D C -0.129 176.310 176.300 0.233 0.000 1.138 109 D CA 0.350 54.525 54.000 0.291 0.000 0.873 109 D CB 0.577 41.491 40.800 0.189 0.000 1.183 109 D HN 0.320 nan 8.370 nan 0.000 0.458 110 V N -0.853 119.180 119.914 0.197 0.000 3.102 110 V HA 0.594 4.716 4.120 0.003 0.000 0.312 110 V C -0.582 175.498 176.094 -0.023 0.000 1.135 110 V CA -1.047 61.238 62.300 -0.026 0.000 1.022 110 V CB 2.664 34.357 31.823 -0.216 0.000 1.056 110 V HN 0.190 nan 8.190 nan 0.000 0.436 111 D N 1.190 121.530 120.400 -0.100 0.000 2.168 111 D HA 0.635 5.277 4.640 0.003 0.000 0.246 111 D C -0.811 175.524 176.300 0.058 0.000 1.050 111 D CA -0.053 53.963 54.000 0.028 0.000 0.857 111 D CB 2.160 43.022 40.800 0.104 0.000 1.169 111 D HN 0.524 nan 8.370 nan 0.000 0.453 112 V N 2.818 122.781 119.914 0.081 0.000 2.384 112 V HA 0.263 4.384 4.120 0.003 0.000 0.287 112 V C 0.193 176.307 176.094 0.033 0.000 1.020 112 V CA -0.760 61.560 62.300 0.034 0.000 0.850 112 V CB 1.720 33.564 31.823 0.035 0.000 0.987 112 V HN 0.311 nan 8.190 nan 0.000 0.436 113 K N 5.393 125.753 120.400 -0.066 0.000 2.235 113 K HA 0.696 5.017 4.320 0.003 0.000 0.266 113 K C -1.208 175.291 176.600 -0.169 0.000 0.980 113 K CA -0.559 55.574 56.287 -0.257 0.000 0.849 113 K CB 1.194 33.206 32.500 -0.814 0.000 1.098 113 K HN 0.624 nan 8.250 nan 0.000 0.445 114 I N 5.676 126.188 120.570 -0.096 0.000 2.404 114 I HA 0.356 4.528 4.170 0.003 0.000 0.293 114 I C -0.670 175.413 176.117 -0.056 0.000 0.992 114 I CA -0.853 60.425 61.300 -0.037 0.000 1.149 114 I CB 1.449 39.487 38.000 0.063 0.000 1.315 114 I HN 0.435 nan 8.210 nan 0.000 0.446 115 L N 4.861 126.054 121.223 -0.050 0.000 2.354 115 L HA 0.769 5.111 4.340 0.003 0.000 0.264 115 L C -0.034 176.808 176.870 -0.047 0.000 1.008 115 L CA -0.808 53.988 54.840 -0.073 0.000 0.819 115 L CB 2.066 44.067 42.059 -0.098 0.000 1.339 115 L HN 0.652 nan 8.230 nan 0.000 0.420 116 A N -0.039 122.717 122.820 -0.107 0.000 2.327 116 A HA 0.533 4.855 4.320 0.003 0.000 0.283 116 A C 0.640 178.136 177.584 -0.146 0.000 1.127 116 A CA 0.135 52.074 52.037 -0.163 0.000 0.810 116 A CB 0.555 19.431 19.000 -0.207 0.000 1.066 116 A HN 0.847 nan 8.150 nan 0.000 0.492 117 T N -2.152 112.298 114.554 -0.174 0.000 3.044 117 T HA 0.114 4.465 4.350 0.003 0.000 0.260 117 T C 0.218 174.847 174.700 -0.117 0.000 1.019 117 T CA 0.638 62.660 62.100 -0.129 0.000 0.921 117 T CB 0.005 68.800 68.868 -0.122 0.000 1.053 117 T HN 0.651 nan 8.240 nan 0.000 0.533 118 D N 0.528 120.844 120.400 -0.139 0.000 2.462 118 D HA 0.303 4.945 4.640 0.003 0.000 0.221 118 D C 1.520 177.768 176.300 -0.087 0.000 1.173 118 D CA 0.156 54.098 54.000 -0.098 0.000 0.831 118 D CB -0.242 40.509 40.800 -0.082 0.000 1.001 118 D HN 0.482 nan 8.370 nan 0.000 0.499 119 G N 0.070 108.815 108.800 -0.092 0.000 2.175 119 G HA2 -0.278 3.684 3.960 0.003 0.000 0.244 119 G HA3 -0.278 3.684 3.960 0.003 0.000 0.244 119 G C 0.401 175.250 174.900 -0.084 0.000 0.982 119 G CA 0.190 45.243 45.100 -0.078 0.000 0.641 119 G HN 0.420 nan 8.290 nan 0.000 0.527 120 S N -0.074 115.560 115.700 -0.110 0.000 2.579 120 S HA 0.500 4.972 4.470 0.003 0.000 0.275 120 S C 0.608 175.138 174.600 -0.117 0.000 1.345 120 S CA 0.608 58.739 58.200 -0.115 0.000 1.031 120 S CB 1.647 64.752 63.200 -0.159 0.000 0.892 120 S HN 1.061 nan 8.310 nan 0.000 0.529 121 S N 1.404 117.044 115.700 -0.100 0.000 2.457 121 S HA 0.346 4.818 4.470 0.003 0.000 0.289 121 S C 0.969 175.485 174.600 -0.140 0.000 1.163 121 S CA -0.869 57.271 58.200 -0.101 0.000 1.078 121 S CB 0.009 63.171 63.200 -0.062 0.000 0.987 121 S HN 0.619 nan 8.310 nan 0.000 0.482 122 L N 4.685 125.783 121.223 -0.208 0.000 2.156 122 L HA 0.251 4.593 4.340 0.003 0.000 0.208 122 L C 1.559 178.347 176.870 -0.136 0.000 1.095 122 L CA 0.785 55.401 54.840 -0.374 0.000 0.770 122 L CB -1.036 40.691 42.059 -0.553 0.000 0.914 122 L HN 1.007 nan 8.230 nan 0.000 0.439 123 G N -0.532 108.241 108.800 -0.045 0.000 2.498 123 G HA2 -0.162 3.800 3.960 0.003 0.000 0.651 123 G HA3 -0.162 3.800 3.960 0.003 0.000 0.651 123 G C -0.345 174.586 174.900 0.051 0.000 1.284 123 G CA -0.353 44.765 45.100 0.030 0.000 0.950 123 G HN 0.300 nan 8.290 nan 0.000 0.511 124 S N -0.122 115.614 115.700 0.060 0.000 2.645 124 S HA 0.686 5.158 4.470 0.003 0.000 0.266 124 S C -1.060 173.589 174.600 0.081 0.000 1.258 124 S CA -0.296 57.937 58.200 0.055 0.000 0.990 124 S CB 1.978 65.201 63.200 0.039 0.000 0.967 124 S HN 0.478 nan 8.310 nan 0.000 0.556 125 P HA -0.091 nan 4.420 nan 0.000 0.218 125 P C 1.605 178.939 177.300 0.057 0.000 1.148 125 P CA 1.541 64.682 63.100 0.069 0.000 0.822 125 P CB -0.257 31.472 31.700 0.048 0.000 0.784 126 S N -1.539 114.190 115.700 0.048 0.000 2.481 126 S HA -0.097 4.375 4.470 0.003 0.000 0.231 126 S C 1.407 176.034 174.600 0.045 0.000 0.996 126 S CA 0.909 59.132 58.200 0.038 0.000 0.942 126 S CB -0.950 62.268 63.200 0.031 0.000 0.768 126 S HN 0.074 nan 8.310 nan 0.000 0.520 127 D N 1.269 121.710 120.400 0.069 0.000 2.349 127 D HA 0.181 4.823 4.640 0.003 0.000 0.224 127 D C 0.004 176.361 176.300 0.094 0.000 1.029 127 D CA 0.219 54.272 54.000 0.088 0.000 0.879 127 D CB 0.364 41.234 40.800 0.117 0.000 0.906 127 D HN 0.300 nan 8.370 nan 0.000 0.528 128 V N 1.201 121.151 119.914 0.060 0.000 2.472 128 V HA 0.306 4.428 4.120 0.003 0.000 0.290 128 V C 0.321 176.380 176.094 -0.058 0.000 1.037 128 V CA -0.684 61.596 62.300 -0.033 0.000 0.908 128 V CB 2.328 34.126 31.823 -0.043 0.000 0.985 128 V HN -0.254 nan 8.190 nan 0.000 0.454 129 V N 5.856 125.708 119.914 -0.103 0.000 2.540 129 V HA 0.531 4.653 4.120 0.003 0.000 0.302 129 V C -0.332 175.709 176.094 -0.088 0.000 1.035 129 V CA -0.452 61.807 62.300 -0.068 0.000 0.873 129 V CB 1.968 33.767 31.823 -0.040 0.000 0.992 129 V HN 0.675 nan 8.190 nan 0.000 0.428 130 I N 5.013 125.552 120.570 -0.051 0.000 2.378 130 I HA 0.552 4.724 4.170 0.003 0.000 0.291 130 I C 0.017 176.151 176.117 0.028 0.000 0.992 130 I CA -0.532 60.754 61.300 -0.023 0.000 1.154 130 I CB 1.504 39.442 38.000 -0.103 0.000 1.315 130 I HN 0.481 nan 8.210 nan 0.000 0.448 131 R N 7.011 127.552 120.500 0.068 0.000 2.589 131 R HA 0.483 4.824 4.340 0.003 0.000 0.293 131 R C -2.606 173.803 176.300 0.181 0.000 0.963 131 R CA -1.819 54.307 56.100 0.043 0.000 0.905 131 R CB 1.702 31.946 30.300 -0.093 0.000 1.144 131 R HN 0.294 nan 8.270 nan 0.000 0.459 132 P HA -0.021 nan 4.420 nan 0.000 0.275 132 P C 0.955 178.265 177.300 0.017 0.000 1.227 132 P CA -0.193 62.924 63.100 0.028 0.000 0.781 132 P CB 1.058 32.773 31.700 0.026 0.000 0.906 133 V N 0.563 120.457 119.914 -0.034 0.000 3.305 133 V HA -0.133 3.989 4.120 0.003 0.000 0.269 133 V C 2.015 178.086 176.094 -0.038 0.000 1.157 133 V CA 1.736 64.017 62.300 -0.033 0.000 1.157 133 V CB -1.854 29.941 31.823 -0.048 0.000 0.772 133 V HN 0.590 nan 8.190 nan 0.000 0.498 134 S N 0.936 116.612 115.700 -0.040 0.000 2.442 134 S HA 0.074 4.546 4.470 0.003 0.000 0.236 134 S C 0.786 175.352 174.600 -0.057 0.000 1.007 134 S CA 1.041 59.213 58.200 -0.046 0.000 0.965 134 S CB -0.814 62.359 63.200 -0.044 0.000 0.773 134 S HN 0.665 nan 8.310 nan 0.000 0.504 135 I N 1.816 122.351 120.570 -0.059 0.000 2.411 135 I HA 0.334 4.506 4.170 0.003 0.000 0.284 135 I C -0.431 175.550 176.117 -0.226 0.000 1.012 135 I CA -0.373 60.841 61.300 -0.143 0.000 1.119 135 I CB 1.927 39.859 38.000 -0.113 0.000 1.261 135 I HN 0.008 nan 8.210 nan 0.000 0.448 136 S N 4.607 120.141 115.700 -0.276 0.000 2.646 136 S HA 0.624 5.096 4.470 0.003 0.000 0.276 136 S C -0.938 173.366 174.600 -0.495 0.000 1.222 136 S CA -0.308 57.750 58.200 -0.236 0.000 1.014 136 S CB 0.962 64.084 63.200 -0.129 0.000 0.991 136 S HN 0.312 nan 8.310 nan 0.000 0.533 137 Y N -0.037 120.187 120.300 -0.127 0.000 2.499 137 Y HA 0.568 5.120 4.550 0.003 0.000 0.347 137 Y C 0.185 176.037 175.900 -0.079 0.000 0.987 137 Y CA -1.066 56.956 58.100 -0.131 0.000 1.044 137 Y CB 1.347 39.670 38.460 -0.229 0.000 1.245 137 Y HN 0.715 nan 8.280 nan 0.000 0.461 138 A N 3.994 126.874 122.820 0.100 0.000 2.404 138 A HA 0.624 4.946 4.320 0.003 0.000 0.273 138 A C -0.643 176.987 177.584 0.077 0.000 1.144 138 A CA -0.059 52.018 52.037 0.068 0.000 0.806 138 A CB -0.594 18.438 19.000 0.054 0.000 1.080 138 A HN 0.661 nan 8.150 nan 0.000 0.509 139 I N 2.618 123.221 120.570 0.054 0.000 2.465 139 I HA 0.481 4.653 4.170 0.003 0.000 0.291 139 I C 0.316 176.458 176.117 0.042 0.000 1.014 139 I CA -0.298 61.029 61.300 0.045 0.000 1.093 139 I CB 2.350 40.370 38.000 0.034 0.000 1.267 139 I HN 0.756 nan 8.210 nan 0.000 0.431 140 S N 4.216 119.942 115.700 0.044 0.000 2.697 140 S HA 0.630 5.102 4.470 0.003 0.000 0.289 140 S C -1.018 173.602 174.600 0.034 0.000 1.149 140 S CA -0.847 57.376 58.200 0.038 0.000 0.850 140 S CB 2.270 65.493 63.200 0.040 0.000 1.151 140 S HN 0.638 nan 8.310 nan 0.000 0.491 141 Q N 1.035 120.851 119.800 0.025 0.000 2.333 141 Q HA 0.626 4.967 4.340 0.003 0.000 0.267 141 Q C -0.574 175.427 176.000 0.002 0.000 1.012 141 Q CA -0.570 55.240 55.803 0.013 0.000 0.824 141 Q CB 1.743 30.489 28.738 0.014 0.000 1.290 141 Q HN 0.909 nan 8.270 nan 0.000 0.449 142 S N 2.195 117.885 115.700 -0.017 0.000 2.669 142 S HA 0.232 4.704 4.470 0.003 0.000 0.270 142 S C 0.171 174.757 174.600 -0.024 0.000 1.225 142 S CA -0.662 57.525 58.200 -0.022 0.000 0.991 142 S CB 0.869 64.037 63.200 -0.053 0.000 0.987 142 S HN 0.701 nan 8.310 nan 0.000 0.552 143 D N 0.905 121.293 120.400 -0.019 0.000 2.312 143 D HA -0.057 4.585 4.640 0.003 0.000 0.211 143 D C 0.928 177.211 176.300 -0.028 0.000 0.964 143 D CA 0.991 54.980 54.000 -0.018 0.000 0.877 143 D CB -0.327 40.466 40.800 -0.011 0.000 0.924 143 D HN 0.792 nan 8.370 nan 0.000 0.515 144 D N -0.767 119.608 120.400 -0.041 0.000 2.349 144 D HA 0.081 4.722 4.640 0.003 0.000 0.224 144 D C 1.522 177.787 176.300 -0.058 0.000 1.029 144 D CA 0.639 54.609 54.000 -0.051 0.000 0.879 144 D CB -0.135 40.627 40.800 -0.063 0.000 0.906 144 D HN 0.174 nan 8.370 nan 0.000 0.528 145 G N -0.810 107.959 108.800 -0.051 0.000 2.175 145 G HA2 -0.167 3.795 3.960 0.003 0.000 0.244 145 G HA3 -0.167 3.795 3.960 0.003 0.000 0.244 145 G C 0.657 175.518 174.900 -0.065 0.000 0.982 145 G CA -0.034 45.034 45.100 -0.054 0.000 0.641 145 G HN 0.786 nan 8.290 nan 0.000 0.527 146 G N -0.431 108.323 108.800 -0.077 0.000 2.569 146 G HA2 0.515 4.476 3.960 0.003 0.000 0.249 146 G HA3 0.515 4.476 3.960 0.003 0.000 0.249 146 G C 0.020 174.889 174.900 -0.052 0.000 1.216 146 G CA -0.326 44.719 45.100 -0.091 0.000 0.845 146 G HN 0.396 nan 8.290 nan 0.000 0.568 147 I N 0.821 121.377 120.570 -0.024 0.000 2.404 147 I HA 0.299 4.471 4.170 0.003 0.000 0.293 147 I C -0.259 175.860 176.117 0.004 0.000 0.992 147 I CA -0.516 60.806 61.300 0.036 0.000 1.149 147 I CB 1.504 39.602 38.000 0.163 0.000 1.315 147 I HN 0.024 nan 8.210 nan 0.000 0.446 148 V N 7.599 127.521 119.914 0.013 0.000 2.448 148 V HA 0.509 4.631 4.120 0.003 0.000 0.295 148 V C -0.027 176.095 176.094 0.047 0.000 1.025 148 V CA -0.551 61.763 62.300 0.023 0.000 0.859 148 V CB 2.277 34.129 31.823 0.048 0.000 0.988 148 V HN 0.434 nan 8.190 nan 0.000 0.431 149 I N 4.281 124.879 120.570 0.046 0.000 2.389 149 I HA 0.513 4.684 4.170 0.003 0.000 0.288 149 I C 0.041 176.200 176.117 0.070 0.000 0.999 149 I CA -0.788 60.527 61.300 0.025 0.000 1.129 149 I CB 1.826 39.785 38.000 -0.069 0.000 1.288 149 I HN 0.490 nan 8.210 nan 0.000 0.444 150 R N 5.876 126.441 120.500 0.109 0.000 2.248 150 R HA 0.372 4.714 4.340 0.003 0.000 0.328 150 R C -1.372 175.067 176.300 0.232 0.000 1.067 150 R CA -0.137 56.047 56.100 0.140 0.000 0.924 150 R CB 0.432 30.802 30.300 0.117 0.000 1.013 150 R HN 0.441 nan 8.270 nan 0.000 0.454 151 V N 9.023 129.074 119.914 0.228 0.000 2.311 151 V HA 0.374 4.496 4.120 0.003 0.000 0.275 151 V C -2.063 174.248 176.094 0.362 0.000 1.022 151 V CA -2.070 60.433 62.300 0.337 0.000 0.830 151 V CB 1.287 33.278 31.823 0.280 0.000 1.012 151 V HN 0.793 nan 8.190 nan 0.000 0.452 152 P HA 0.255 nan 4.420 nan 0.000 0.271 152 P C -0.065 177.466 177.300 0.385 0.000 1.218 152 P CA -0.097 63.170 63.100 0.278 0.000 0.780 152 P CB 0.653 32.441 31.700 0.147 0.000 0.901 153 A N 2.052 125.015 122.820 0.239 0.000 2.531 153 A HA 0.256 4.578 4.320 0.003 0.000 0.236 153 A C 0.211 177.798 177.584 0.004 0.000 1.062 153 A CA 0.803 52.821 52.037 -0.031 0.000 0.760 153 A CB -0.440 18.495 19.000 -0.107 0.000 0.995 153 A HN 0.565 nan 8.150 nan 0.000 0.501 154 D N 0.713 121.067 120.400 -0.077 0.000 2.931 154 D HA 0.441 5.083 4.640 0.003 0.000 0.215 154 D C 0.579 176.875 176.300 -0.006 0.000 1.297 154 D CA 0.227 54.244 54.000 0.028 0.000 0.892 154 D CB 1.716 42.607 40.800 0.153 0.000 1.642 154 D HN 0.465 nan 8.370 nan 0.000 0.560 155 A N 3.602 126.426 122.820 0.007 0.000 2.019 155 A HA -0.166 4.156 4.320 0.003 0.000 0.219 155 A C 1.378 179.005 177.584 0.072 0.000 1.164 155 A CA 1.148 53.200 52.037 0.025 0.000 0.644 155 A CB -0.115 18.898 19.000 0.022 0.000 0.805 155 A HN 0.561 nan 8.150 nan 0.000 0.449 156 N N -0.506 118.247 118.700 0.089 0.000 2.336 156 N HA 0.238 4.980 4.740 0.003 0.000 0.189 156 N C 1.066 176.670 175.510 0.157 0.000 1.113 156 N CA 0.941 54.067 53.050 0.127 0.000 0.858 156 N CB 0.132 38.685 38.487 0.109 0.000 0.970 156 N HN 0.611 nan 8.380 nan 0.000 0.471 157 G N 1.278 110.189 108.800 0.185 0.000 2.749 157 G HA2 -0.269 3.693 3.960 0.003 0.000 0.242 157 G HA3 -0.269 3.693 3.960 0.003 0.000 0.242 157 G C -0.727 174.342 174.900 0.281 0.000 1.364 157 G CA -0.505 44.766 45.100 0.285 0.000 0.888 157 G HN 0.222 nan 8.290 nan 0.000 0.566 158 R N 0.042 120.715 120.500 0.290 0.000 2.673 158 R HA 0.622 4.963 4.340 0.003 0.000 0.281 158 R C -0.683 175.777 176.300 0.267 0.000 0.991 158 R CA -0.753 55.556 56.100 0.347 0.000 0.896 158 R CB 2.032 32.651 30.300 0.531 0.000 1.201 158 R HN 0.646 nan 8.270 nan 0.000 0.457 159 K N 2.770 123.372 120.400 0.336 0.000 2.640 159 K HA 0.432 4.754 4.320 0.003 0.000 0.245 159 K C -1.115 175.693 176.600 0.346 0.000 0.962 159 K CA -0.487 55.950 56.287 0.250 0.000 0.896 159 K CB 1.377 34.066 32.500 0.314 0.000 1.147 159 K HN 0.498 nan 8.250 nan 0.000 0.445 160 F N -1.400 118.570 119.950 0.033 0.000 2.645 160 F HA 0.593 5.122 4.527 0.003 0.000 0.310 160 F C -0.594 175.203 175.800 -0.005 0.000 1.102 160 F CA -1.180 56.877 58.000 0.095 0.000 0.952 160 F CB 1.693 40.717 39.000 0.040 0.000 1.326 160 F HN 0.189 nan 8.300 nan 0.000 0.456 161 S N 1.573 117.490 115.700 0.363 0.000 2.433 161 S HA 0.706 5.178 4.470 0.003 0.000 0.310 161 S C -1.191 173.508 174.600 0.165 0.000 1.097 161 S CA -0.483 57.876 58.200 0.266 0.000 1.103 161 S CB 0.871 64.325 63.200 0.424 0.000 0.992 161 S HN 0.636 nan 8.310 nan 0.000 0.469 162 V N 5.982 125.907 119.914 0.018 0.000 2.383 162 V HA 0.478 4.600 4.120 0.003 0.000 0.275 162 V C -0.170 175.685 176.094 -0.398 0.000 1.036 162 V CA -0.463 61.723 62.300 -0.190 0.000 0.889 162 V CB 1.166 32.847 31.823 -0.237 0.000 0.985 162 V HN 0.873 nan 8.190 nan 0.000 0.459 163 E N 4.652 124.570 120.200 -0.469 0.000 2.218 163 E HA 0.500 4.851 4.350 0.003 0.000 0.263 163 E C -1.589 174.752 176.600 -0.433 0.000 0.879 163 E CA -0.451 55.759 56.400 -0.317 0.000 0.762 163 E CB 2.190 31.862 29.700 -0.047 0.000 1.166 163 E HN 0.529 nan 8.360 nan 0.000 0.415 164 F N 2.043 122.047 119.950 0.090 0.000 2.415 164 F HA 0.276 4.805 4.527 0.003 0.000 0.348 164 F C 1.705 177.551 175.800 0.077 0.000 1.119 164 F CA -0.769 57.278 58.000 0.079 0.000 1.069 164 F CB 1.410 40.467 39.000 0.095 0.000 1.124 164 F HN 0.414 nan 8.300 nan 0.000 0.472 165 K N 0.847 121.376 120.400 0.214 0.000 2.044 165 K HA -0.210 4.112 4.320 0.003 0.000 0.210 165 K C 1.840 178.518 176.600 0.131 0.000 1.049 165 K CA 2.234 58.603 56.287 0.136 0.000 0.927 165 K CB -0.171 32.389 32.500 0.100 0.000 0.713 165 K HN 0.856 nan 8.250 nan 0.000 0.443 166 T N -2.319 112.317 114.554 0.136 0.000 3.118 166 T HA -0.058 4.294 4.350 0.003 0.000 0.260 166 T C 1.250 176.015 174.700 0.108 0.000 1.139 166 T CA 1.229 63.386 62.100 0.095 0.000 1.085 166 T CB 0.022 68.928 68.868 0.063 0.000 0.934 166 T HN 0.270 nan 8.240 nan 0.000 0.518 167 D N 0.272 120.772 120.400 0.166 0.000 2.354 167 D HA 0.162 4.804 4.640 0.003 0.000 0.209 167 D C 0.385 176.788 176.300 0.173 0.000 1.015 167 D CA -0.160 53.947 54.000 0.179 0.000 0.867 167 D CB -0.219 40.750 40.800 0.281 0.000 0.933 167 D HN 0.400 nan 8.370 nan 0.000 0.520 168 L N 1.265 122.580 121.223 0.155 0.000 2.490 168 L HA 0.069 4.411 4.340 0.003 0.000 0.274 168 L C -0.286 176.656 176.870 0.120 0.000 1.201 168 L CA -0.196 54.727 54.840 0.140 0.000 0.869 168 L CB 0.217 42.339 42.059 0.105 0.000 1.123 168 L HN 0.099 nan 8.230 nan 0.000 0.484 169 Y N 1.991 122.280 120.300 -0.019 0.000 2.360 169 Y HA 0.304 4.856 4.550 0.004 0.000 0.337 169 Y C -0.007 175.804 175.900 -0.148 0.000 1.039 169 Y CA -0.685 57.332 58.100 -0.139 0.000 1.109 169 Y CB 1.631 39.922 38.460 -0.281 0.000 1.201 169 Y HN 0.456 nan 8.280 nan 0.000 0.458 170 T N 7.785 121.750 114.554 -0.982 0.000 2.753 170 T HA 0.311 4.663 4.350 0.003 0.000 0.297 170 T C -0.762 173.406 174.700 -0.887 0.000 0.981 170 T CA -0.232 61.487 62.100 -0.635 0.000 0.956 170 T CB -0.550 68.102 68.868 -0.360 0.000 0.936 170 T HN 0.391 nan 8.240 nan 0.000 0.463 171 F N 3.629 123.417 119.950 -0.270 0.000 2.504 171 F HA 0.344 4.873 4.527 0.003 0.000 0.369 171 F C 0.450 176.273 175.800 0.039 0.000 1.082 171 F CA -0.460 57.506 58.000 -0.056 0.000 1.216 171 F CB 0.356 39.380 39.000 0.041 0.000 1.108 171 F HN 0.255 nan 8.300 nan 0.000 0.554 172 L N 3.255 124.631 121.223 0.255 0.000 2.365 172 L HA 0.566 4.908 4.340 0.003 0.000 0.273 172 L C -0.229 176.851 176.870 0.349 0.000 1.000 172 L CA -0.624 54.352 54.840 0.226 0.000 0.819 172 L CB 2.065 44.185 42.059 0.102 0.000 1.284 172 L HN 0.506 nan 8.230 nan 0.000 0.418 173 S N -0.055 115.797 115.700 0.253 0.000 2.536 173 S HA 0.337 4.809 4.470 0.003 0.000 0.287 173 S C -0.242 174.427 174.600 0.114 0.000 1.101 173 S CA -0.698 57.616 58.200 0.190 0.000 0.950 173 S CB 1.485 64.769 63.200 0.140 0.000 1.056 173 S HN 0.752 nan 8.310 nan 0.000 0.481 174 D N 2.061 122.512 120.400 0.085 0.000 2.325 174 D HA 0.258 4.899 4.640 0.003 0.000 0.225 174 D C 1.292 177.620 176.300 0.046 0.000 1.096 174 D CA 0.653 54.690 54.000 0.061 0.000 0.844 174 D CB -0.220 40.613 40.800 0.056 0.000 0.925 174 D HN 1.015 nan 8.370 nan 0.000 0.513 175 G N 0.516 109.341 108.800 0.042 0.000 2.213 175 G HA2 -0.347 3.615 3.960 0.003 0.000 0.236 175 G HA3 -0.347 3.615 3.960 0.003 0.000 0.236 175 G C 0.845 175.758 174.900 0.021 0.000 0.991 175 G CA 0.310 45.429 45.100 0.033 0.000 0.629 175 G HN 0.515 nan 8.290 nan 0.000 0.517 176 N N 0.371 119.079 118.700 0.013 0.000 2.430 176 N HA 0.100 4.842 4.740 0.003 0.000 0.235 176 N C 0.317 175.814 175.510 -0.021 0.000 1.108 176 N CA 0.972 54.027 53.050 0.009 0.000 0.834 176 N CB 0.841 39.342 38.487 0.024 0.000 1.430 176 N HN 0.721 nan 8.380 nan 0.000 0.463 177 E N -0.640 119.544 120.200 -0.026 0.000 2.413 177 E HA 0.171 4.523 4.350 0.003 0.000 0.277 177 E C -1.447 175.149 176.600 -0.005 0.000 0.958 177 E CA -0.809 55.559 56.400 -0.053 0.000 0.779 177 E CB 0.758 30.470 29.700 0.019 0.000 1.278 177 E HN 0.033 nan 8.360 nan 0.000 0.456 178 Y N 0.486 120.828 120.300 0.070 0.000 2.497 178 Y HA 0.268 4.820 4.550 0.003 0.000 0.334 178 Y C 0.732 176.693 175.900 0.103 0.000 1.199 178 Y CA -0.323 57.849 58.100 0.121 0.000 1.425 178 Y CB 1.164 39.733 38.460 0.182 0.000 1.291 178 Y HN 0.414 nan 8.280 nan 0.000 0.562 179 V N -1.182 118.903 119.914 0.285 0.000 3.001 179 V HA 0.410 4.532 4.120 0.003 0.000 0.314 179 V C 0.406 176.588 176.094 0.147 0.000 1.099 179 V CA -0.337 62.065 62.300 0.171 0.000 0.989 179 V CB 1.527 33.423 31.823 0.120 0.000 1.040 179 V HN 0.854 nan 8.190 nan 0.000 0.434 180 T N -1.132 113.483 114.554 0.102 0.000 3.067 180 T HA 0.280 4.632 4.350 0.003 0.000 0.257 180 T C 0.720 175.449 174.700 0.050 0.000 1.105 180 T CA 0.724 62.873 62.100 0.083 0.000 1.104 180 T CB -0.419 68.487 68.868 0.064 0.000 0.925 180 T HN 1.628 nan 8.240 nan 0.000 0.498 181 S N -1.179 114.549 115.700 0.046 0.000 2.615 181 S HA 0.677 5.149 4.470 0.003 0.000 0.269 181 S C 0.306 174.927 174.600 0.036 0.000 1.161 181 S CA -0.306 57.911 58.200 0.027 0.000 0.817 181 S CB 1.295 64.507 63.200 0.019 0.000 1.131 181 S HN 1.391 nan 8.310 nan 0.000 0.467 182 G N 0.599 109.415 108.800 0.027 0.000 2.562 182 G HA2 0.308 4.270 3.960 0.003 0.000 0.250 182 G HA3 0.308 4.270 3.960 0.003 0.000 0.250 182 G C 1.120 176.047 174.900 0.045 0.000 1.269 182 G CA 0.775 45.894 45.100 0.032 0.000 0.919 182 G HN 2.792 nan 8.290 nan 0.000 0.574 183 G N -1.800 107.029 108.800 0.050 0.000 2.575 183 G HA2 0.228 4.190 3.960 0.003 0.000 0.267 183 G HA3 0.228 4.190 3.960 0.003 0.000 0.267 183 G C 0.274 175.210 174.900 0.060 0.000 1.264 183 G CA 0.952 46.090 45.100 0.062 0.000 0.935 183 G HN 2.278 nan 8.290 nan 0.000 0.568 184 S N -1.378 114.369 115.700 0.078 0.000 2.542 184 S HA 0.595 5.067 4.470 0.003 0.000 0.293 184 S C 0.047 174.709 174.600 0.103 0.000 1.089 184 S CA -0.326 57.920 58.200 0.077 0.000 0.961 184 S CB 2.133 65.377 63.200 0.074 0.000 1.062 184 S HN 1.104 nan 8.310 nan 0.000 0.483 185 V N 3.310 123.277 119.914 0.089 0.000 2.479 185 V HA 0.094 4.216 4.120 0.003 0.000 0.281 185 V C 1.090 177.272 176.094 0.146 0.000 1.031 185 V CA 0.179 62.542 62.300 0.105 0.000 1.038 185 V CB 0.694 32.559 31.823 0.071 0.000 0.981 185 V HN 0.853 nan 8.190 nan 0.000 0.478 186 V N 1.838 121.878 119.914 0.210 0.000 3.556 186 V HA 0.772 4.894 4.120 0.003 0.000 0.287 186 V C 0.611 176.857 176.094 0.254 0.000 1.422 186 V CA 0.627 63.071 62.300 0.240 0.000 1.038 186 V CB 0.229 32.221 31.823 0.281 0.000 0.850 186 V HN 0.986 nan 8.190 nan 0.000 0.437 187 G N -0.552 108.410 108.800 0.270 0.000 2.556 187 G HA2 0.536 4.498 3.960 0.003 0.000 0.294 187 G HA3 0.536 4.498 3.960 0.003 0.000 0.294 187 G C -1.868 173.205 174.900 0.288 0.000 1.516 187 G CA -0.144 45.124 45.100 0.279 0.000 0.824 187 G HN 0.456 nan 8.290 nan 0.000 0.535 188 V N 1.490 121.554 119.914 0.249 0.000 2.482 188 V HA 0.760 4.882 4.120 0.003 0.000 0.295 188 V C -0.230 176.000 176.094 0.227 0.000 1.026 188 V CA -0.539 61.877 62.300 0.192 0.000 0.856 188 V CB 1.153 33.045 31.823 0.115 0.000 1.001 188 V HN 1.110 nan 8.190 nan 0.000 0.424 189 E N 4.758 125.078 120.200 0.199 0.000 2.445 189 E HA 0.611 4.963 4.350 0.003 0.000 0.279 189 E C -3.240 173.467 176.600 0.179 0.000 1.018 189 E CA -2.513 53.922 56.400 0.059 0.000 0.816 189 E CB 2.375 31.890 29.700 -0.308 0.000 1.356 189 E HN 0.313 nan 8.360 nan 0.000 0.462 190 P HA -0.003 nan 4.420 nan 0.000 0.264 190 P C 0.263 177.715 177.300 0.254 0.000 1.183 190 P CA 0.203 63.453 63.100 0.249 0.000 0.763 190 P CB 0.610 32.486 31.700 0.295 0.000 0.807 191 T N 1.027 115.706 114.554 0.208 0.000 2.708 191 T HA -0.081 4.271 4.350 0.003 0.000 0.266 191 T C 0.703 175.498 174.700 0.157 0.000 1.037 191 T CA 1.406 63.585 62.100 0.131 0.000 1.146 191 T CB -0.399 68.518 68.868 0.082 0.000 0.865 191 T HN 0.459 nan 8.240 nan 0.000 0.435 192 N N 1.839 120.671 118.700 0.219 0.000 2.898 192 N HA 0.516 5.258 4.740 0.003 0.000 0.245 192 N C -0.752 174.973 175.510 0.359 0.000 1.185 192 N CA -0.161 53.047 53.050 0.264 0.000 0.879 192 N CB 1.245 39.850 38.487 0.197 0.000 1.157 192 N HN 0.285 nan 8.380 nan 0.000 0.503 193 A N 1.624 124.605 122.820 0.268 0.000 2.445 193 A HA 0.328 4.650 4.320 0.003 0.000 0.242 193 A C -0.054 177.616 177.584 0.143 0.000 1.075 193 A CA 0.057 52.238 52.037 0.240 0.000 0.777 193 A CB 0.291 19.378 19.000 0.145 0.000 1.013 193 A HN 0.560 nan 8.150 nan 0.000 0.493 194 L N 3.179 124.419 121.223 0.029 0.000 2.441 194 L HA 0.586 4.928 4.340 0.003 0.000 0.270 194 L C -1.062 175.718 176.870 -0.150 0.000 0.973 194 L CA -0.152 54.596 54.840 -0.153 0.000 0.842 194 L CB 1.874 43.627 42.059 -0.510 0.000 1.239 194 L HN 0.408 nan 8.230 nan 0.000 0.406 195 V N 5.940 125.720 119.914 -0.224 0.000 2.459 195 V HA 0.566 4.688 4.120 0.003 0.000 0.295 195 V C -0.219 175.437 176.094 -0.730 0.000 1.029 195 V CA -0.593 61.424 62.300 -0.471 0.000 0.874 195 V CB 1.847 33.302 31.823 -0.615 0.000 0.985 195 V HN 0.495 nan 8.190 nan 0.000 0.438 196 I N 4.726 124.724 120.570 -0.953 0.000 2.354 196 I HA 0.451 4.623 4.170 0.003 0.000 0.292 196 I C -0.534 175.000 176.117 -0.970 0.000 0.989 196 I CA -0.374 60.338 61.300 -0.979 0.000 1.188 196 I CB 1.180 38.468 38.000 -1.186 0.000 1.342 196 I HN 0.489 nan 8.210 nan 0.000 0.457 197 F N 4.811 124.471 119.950 -0.483 0.000 2.311 197 F HA 0.521 5.050 4.527 0.003 0.000 0.371 197 F C 0.634 176.034 175.800 -0.666 0.000 1.083 197 F CA -0.934 56.804 58.000 -0.437 0.000 1.113 197 F CB 1.390 40.256 39.000 -0.223 0.000 1.349 197 F HN 0.550 nan 8.300 nan 0.000 0.470 198 A N 2.927 125.410 122.820 -0.562 0.000 2.506 198 A HA 0.551 4.873 4.320 0.003 0.000 0.320 198 A C -0.122 177.276 177.584 -0.310 0.000 1.424 198 A CA -0.315 51.120 52.037 -1.003 0.000 1.044 198 A CB -0.004 18.465 19.000 -0.885 0.000 1.140 198 A HN 0.549 nan 8.150 nan 0.000 0.538 199 S N 4.094 119.630 115.700 -0.274 0.000 2.565 199 S HA 0.658 5.130 4.470 0.003 0.000 0.290 199 S C -2.550 172.100 174.600 0.083 0.000 1.150 199 S CA -1.104 57.065 58.200 -0.053 0.000 1.058 199 S CB 1.258 64.296 63.200 -0.270 0.000 1.032 199 S HN 0.656 nan 8.310 nan 0.000 0.510 200 P HA 0.231 nan 4.420 nan 0.000 0.274 200 P C -0.614 176.797 177.300 0.185 0.000 1.231 200 P CA -0.499 62.675 63.100 0.125 0.000 0.790 200 P CB 0.247 32.037 31.700 0.150 0.000 0.951 201 F N 0.374 120.488 119.950 0.274 0.000 2.589 201 F HA -0.002 4.527 4.527 0.003 0.000 0.352 201 F C 1.503 177.450 175.800 0.246 0.000 1.168 201 F CA 0.172 58.355 58.000 0.305 0.000 1.353 201 F CB -0.278 38.852 39.000 0.217 0.000 1.116 201 F HN 0.090 nan 8.300 nan 0.000 0.608 202 L N 3.459 124.919 121.223 0.395 0.000 2.461 202 L HA 0.151 4.493 4.340 0.003 0.000 0.272 202 L C -1.892 175.095 176.870 0.195 0.000 1.197 202 L CA -1.826 53.147 54.840 0.222 0.000 0.836 202 L CB -0.245 41.906 42.059 0.154 0.000 1.105 202 L HN 0.391 nan 8.230 nan 0.000 0.477 203 P HA -0.005 nan 4.420 nan 0.000 0.266 203 P C 0.524 177.881 177.300 0.096 0.000 1.195 203 P CA -0.133 63.034 63.100 0.112 0.000 0.768 203 P CB 0.713 32.468 31.700 0.092 0.000 0.838 204 S N 1.801 117.547 115.700 0.076 0.000 2.400 204 S HA -0.146 4.326 4.470 0.003 0.000 0.232 204 S C 2.053 176.679 174.600 0.045 0.000 1.025 204 S CA 1.282 59.519 58.200 0.062 0.000 0.993 204 S CB -1.492 61.741 63.200 0.055 0.000 0.808 204 S HN 0.582 nan 8.310 nan 0.000 0.478 205 G N 0.534 109.356 108.800 0.037 0.000 2.598 205 G HA2 0.075 4.037 3.960 0.003 0.000 0.215 205 G HA3 0.075 4.037 3.960 0.003 0.000 0.215 205 G C 1.159 176.116 174.900 0.095 0.000 1.131 205 G CA 0.431 45.543 45.100 0.019 0.000 0.785 205 G HN 0.464 nan 8.290 nan 0.000 0.539 206 M N 0.264 119.940 119.600 0.127 0.000 2.383 206 M HA 0.410 4.892 4.480 0.003 0.000 0.247 206 M C 0.006 176.468 176.300 0.269 0.000 1.117 206 M CA -0.020 55.431 55.300 0.251 0.000 0.995 206 M CB 0.240 32.939 32.600 0.165 0.000 1.480 206 M HN 0.025 nan 8.290 nan 0.000 0.485 207 I N 3.113 123.693 120.570 0.017 0.000 2.330 207 I HA 0.262 4.434 4.170 0.003 0.000 0.289 207 I C -1.970 173.804 176.117 -0.571 0.000 1.001 207 I CA -1.756 59.333 61.300 -0.352 0.000 1.193 207 I CB 1.640 39.509 38.000 -0.219 0.000 1.345 207 I HN -0.074 nan 8.210 nan 0.000 0.461 208 P HA 0.083 nan 4.420 nan 0.000 0.274 208 P C -0.860 176.068 177.300 -0.620 0.000 1.231 208 P CA -0.085 62.239 63.100 -1.293 0.000 0.790 208 P CB 0.401 30.849 31.700 -2.086 0.000 0.951 209 H N 2.002 120.771 119.070 -0.502 0.000 2.934 209 H HA 0.262 4.819 4.556 0.003 0.000 0.273 209 H C 0.281 175.415 175.328 -0.323 0.000 1.121 209 H CA -0.401 55.450 56.048 -0.329 0.000 1.451 209 H CB 0.000 29.641 29.762 -0.203 0.000 1.469 209 H HN 0.206 nan 8.280 nan 0.000 0.476 210 M N 3.066 122.535 119.600 -0.219 0.000 2.238 210 M HA 0.235 4.717 4.480 0.003 0.000 0.350 210 M C 0.142 176.360 176.300 -0.137 0.000 1.138 210 M CA -0.542 54.623 55.300 -0.226 0.000 1.040 210 M CB 1.700 34.108 32.600 -0.320 0.000 1.639 210 M HN 0.553 nan 8.290 nan 0.000 0.451 211 T N -0.837 113.659 114.554 -0.096 0.000 2.916 211 T HA 0.532 4.884 4.350 0.003 0.000 0.292 211 T C -2.484 172.191 174.700 -0.041 0.000 1.064 211 T CA -1.871 60.193 62.100 -0.060 0.000 1.011 211 T CB 1.754 70.596 68.868 -0.043 0.000 1.152 211 T HN 0.271 nan 8.240 nan 0.000 0.510 212 P HA -0.035 nan 4.420 nan 0.000 0.219 212 P C 0.822 178.114 177.300 -0.013 0.000 1.146 212 P CA 0.940 64.032 63.100 -0.013 0.000 0.808 212 P CB 0.060 31.755 31.700 -0.009 0.000 0.779 213 D N -1.323 119.069 120.400 -0.014 0.000 2.194 213 D HA -0.068 4.574 4.640 0.003 0.000 0.204 213 D C 1.444 177.740 176.300 -0.006 0.000 0.964 213 D CA 1.017 55.013 54.000 -0.007 0.000 0.846 213 D CB -0.584 40.214 40.800 -0.003 0.000 0.962 213 D HN 0.471 nan 8.370 nan 0.000 0.490 214 N N -0.895 117.795 118.700 -0.018 0.000 2.205 214 N HA -0.015 4.726 4.740 0.003 0.000 0.201 214 N C -0.443 175.037 175.510 -0.050 0.000 1.128 214 N CA -0.036 53.000 53.050 -0.023 0.000 0.867 214 N CB 0.716 39.190 38.487 -0.021 0.000 0.996 214 N HN -0.234 nan 8.380 nan 0.000 0.503 215 T N 0.635 115.163 114.554 -0.043 0.000 2.921 215 T HA 0.137 4.489 4.350 0.003 0.000 0.297 215 T C -1.339 173.358 174.700 -0.005 0.000 1.013 215 T CA -0.475 61.601 62.100 -0.040 0.000 0.990 215 T CB 2.295 71.124 68.868 -0.064 0.000 1.023 215 T HN 0.056 nan 8.240 nan 0.000 0.447 216 Q N 2.230 122.031 119.800 0.001 0.000 2.349 216 Q HA 0.385 4.727 4.340 0.003 0.000 0.254 216 Q C -0.602 175.390 176.000 -0.013 0.000 0.980 216 Q CA -0.062 55.736 55.803 -0.009 0.000 0.924 216 Q CB 0.433 29.162 28.738 -0.015 0.000 1.209 216 Q HN 0.554 nan 8.270 nan 0.000 0.445 217 T N 6.228 120.787 114.554 0.009 0.000 2.728 217 T HA 0.315 4.667 4.350 0.003 0.000 0.296 217 T C -0.018 174.630 174.700 -0.088 0.000 0.940 217 T CA -0.534 61.572 62.100 0.010 0.000 1.013 217 T CB 0.197 69.127 68.868 0.102 0.000 0.912 217 T HN 0.531 nan 8.240 nan 0.000 0.484 218 M N 2.761 122.225 119.600 -0.227 0.000 2.241 218 M HA 0.238 4.720 4.480 0.003 0.000 0.335 218 M C 0.625 176.979 176.300 0.090 0.000 1.122 218 M CA -0.078 55.134 55.300 -0.146 0.000 1.164 218 M CB 0.324 32.648 32.600 -0.460 0.000 1.459 218 M HN 0.390 nan 8.290 nan 0.000 0.461 219 T N 3.702 118.345 114.554 0.148 0.000 2.749 219 T HA 0.416 4.768 4.350 0.003 0.000 0.287 219 T C -2.314 172.418 174.700 0.053 0.000 0.970 219 T CA -1.207 60.952 62.100 0.098 0.000 0.980 219 T CB 0.853 69.733 68.868 0.020 0.000 0.924 219 T HN 0.351 nan 8.240 nan 0.000 0.456 220 P HA 0.362 nan 4.420 nan 0.000 0.263 220 P C 0.509 177.625 177.300 -0.307 0.000 1.175 220 P CA 0.868 63.599 63.100 -0.616 0.000 0.761 220 P CB 0.298 31.746 31.700 -0.420 0.000 0.794 221 G N 3.225 111.802 108.800 -0.372 0.000 2.325 221 G HA2 0.060 4.022 3.960 0.003 0.000 0.285 221 G HA3 0.060 4.022 3.960 0.003 0.000 0.285 221 G C -3.308 170.911 174.900 -1.134 0.000 1.303 221 G CA -0.918 43.896 45.100 -0.478 0.000 0.970 221 G HN 0.386 nan 8.290 nan 0.000 0.490 222 P HA 0.401 nan 4.420 nan 0.000 0.271 222 P C -0.201 176.764 177.300 -0.558 0.000 1.216 222 P CA 0.096 62.393 63.100 -1.339 0.000 0.771 222 P CB 0.665 31.999 31.700 -0.610 0.000 0.864 223 I N 3.588 123.923 120.570 -0.391 0.000 2.291 223 I HA 0.167 4.339 4.170 0.003 0.000 0.292 223 I C 0.782 176.907 176.117 0.013 0.000 1.064 223 I CA -0.383 60.895 61.300 -0.036 0.000 1.269 223 I CB 0.014 38.097 38.000 0.139 0.000 1.418 223 I HN 0.195 nan 8.210 nan 0.000 0.485 224 N N 5.494 124.194 118.700 -0.000 0.000 2.493 224 N HA 0.221 4.962 4.740 0.003 0.000 0.275 224 N C -0.287 175.214 175.510 -0.015 0.000 1.186 224 N CA -0.508 52.541 53.050 -0.003 0.000 0.978 224 N CB 0.683 39.139 38.487 -0.051 0.000 1.184 224 N HN 0.495 nan 8.380 nan 0.000 0.487 225 N N 0.059 118.735 118.700 -0.040 0.000 2.359 225 N HA 0.082 4.824 4.740 0.003 0.000 0.261 225 N C 1.073 176.262 175.510 -0.536 0.000 1.267 225 N CA 0.616 53.558 53.050 -0.180 0.000 0.864 225 N CB 0.293 38.738 38.487 -0.070 0.000 1.063 225 N HN 0.752 nan 8.380 nan 0.000 0.474 226 G N 2.172 110.205 108.800 -1.278 0.000 2.199 226 G HA2 -0.291 3.671 3.960 0.003 0.000 0.254 226 G HA3 -0.291 3.671 3.960 0.003 0.000 0.254 226 G C 0.608 174.952 174.900 -0.927 0.000 0.982 226 G CA 0.156 44.547 45.100 -1.182 0.000 0.632 226 G HN 0.608 nan 8.290 nan 0.000 0.529 227 D N 0.073 120.082 120.400 -0.652 0.000 2.263 227 D HA -0.055 4.587 4.640 0.003 0.000 0.208 227 D C 2.078 178.300 176.300 -0.130 0.000 0.971 227 D CA 1.455 55.306 54.000 -0.249 0.000 0.867 227 D CB -0.406 40.363 40.800 -0.051 0.000 0.929 227 D HN 0.917 nan 8.370 nan 0.000 0.492 228 W N 0.721 121.987 121.300 -0.057 0.000 2.937 228 W HA 0.332 4.994 4.660 0.003 0.000 0.245 228 W C 1.210 177.691 176.519 -0.063 0.000 1.306 228 W CA 0.284 57.585 57.345 -0.073 0.000 1.470 228 W CB -0.461 28.982 29.460 -0.029 0.000 1.132 228 W HN 0.053 nan 8.180 nan 0.000 0.675 229 G N 1.571 110.249 108.800 -0.204 0.000 2.569 229 G HA2 -0.003 3.959 3.960 0.003 0.000 0.259 229 G HA3 -0.003 3.959 3.960 0.003 0.000 0.259 229 G C 0.318 175.197 174.900 -0.034 0.000 1.263 229 G CA 1.050 46.076 45.100 -0.123 0.000 0.928 229 G HN 1.258 nan 8.290 nan 0.000 0.572 230 A N -0.936 121.883 122.820 -0.003 0.000 2.709 230 A HA 0.585 4.907 4.320 0.003 0.000 0.241 230 A C 0.459 178.070 177.584 0.046 0.000 0.879 230 A CA 0.457 52.512 52.037 0.030 0.000 1.120 230 A CB 0.316 19.314 19.000 -0.004 0.000 1.226 230 A HN 0.515 nan 8.150 nan 0.000 0.468 231 K N -0.353 120.075 120.400 0.048 0.000 2.132 231 K HA 0.474 4.796 4.320 0.003 0.000 0.241 231 K C 0.814 177.441 176.600 0.045 0.000 1.000 231 K CA -0.366 55.944 56.287 0.038 0.000 0.911 231 K CB 1.159 33.666 32.500 0.012 0.000 1.093 231 K HN 0.137 nan 8.250 nan 0.000 0.460 232 S N 0.403 116.112 115.700 0.016 0.000 2.370 232 S HA -0.085 4.387 4.470 0.003 0.000 0.226 232 S C 0.993 175.442 174.600 -0.252 0.000 1.033 232 S CA 1.126 59.276 58.200 -0.084 0.000 1.011 232 S CB -0.097 63.074 63.200 -0.047 0.000 0.852 232 S HN 0.391 nan 8.310 nan 0.000 0.457 233 I N 1.113 121.595 120.570 -0.147 0.000 2.509 233 I HA 0.414 4.586 4.170 0.003 0.000 0.293 233 I C -1.013 175.113 176.117 0.015 0.000 1.020 233 I CA -0.751 60.489 61.300 -0.099 0.000 1.088 233 I CB 1.903 39.754 38.000 -0.249 0.000 1.267 233 I HN 0.027 nan 8.210 nan 0.000 0.430 234 L N 7.475 128.763 121.223 0.109 0.000 2.280 234 L HA 0.474 4.816 4.340 0.003 0.000 0.287 234 L C -1.488 175.454 176.870 0.120 0.000 1.023 234 L CA -0.324 54.560 54.840 0.072 0.000 0.819 234 L CB 0.816 42.937 42.059 0.103 0.000 1.212 234 L HN 0.465 nan 8.230 nan 0.000 0.420 235 Y N 5.707 125.910 120.300 -0.162 0.000 2.341 235 Y HA 0.559 5.111 4.550 0.003 0.000 0.338 235 Y C -1.659 174.059 175.900 -0.302 0.000 0.965 235 Y CA -1.761 56.291 58.100 -0.079 0.000 1.108 235 Y CB 1.175 39.633 38.460 -0.003 0.000 1.180 235 Y HN 0.512 nan 8.280 nan 0.000 0.458 236 F N 8.779 128.525 119.950 -0.340 0.000 2.308 236 F HA 0.448 4.977 4.527 0.003 0.000 0.370 236 F C -2.029 173.364 175.800 -0.677 0.000 1.100 236 F CA -2.168 55.469 58.000 -0.605 0.000 1.108 236 F CB 0.805 39.454 39.000 -0.584 0.000 1.293 236 F HN 0.396 nan 8.300 nan 0.000 0.478 237 P HA 0.165 nan 4.420 nan 0.000 0.275 237 P C -2.661 174.679 177.300 0.067 0.000 1.266 237 P CA -1.702 61.175 63.100 -0.373 0.000 0.793 237 P CB -0.051 31.470 31.700 -0.298 0.000 1.074 238 P HA 0.258 nan 4.420 nan 0.000 0.265 238 P C 0.357 177.748 177.300 0.153 0.000 1.187 238 P CA 1.180 64.341 63.100 0.102 0.000 0.766 238 P CB -0.212 31.516 31.700 0.046 0.000 0.820 239 G N 0.282 109.204 108.800 0.204 0.000 2.369 239 G HA2 0.210 4.172 3.960 0.003 0.000 0.307 239 G HA3 0.210 4.172 3.960 0.003 0.000 0.307 239 G C -1.812 173.147 174.900 0.098 0.000 1.327 239 G CA -0.781 44.370 45.100 0.086 0.000 0.963 239 G HN 0.389 nan 8.290 nan 0.000 0.590 240 V N 0.598 120.454 119.914 -0.097 0.000 2.459 240 V HA 0.759 4.881 4.120 0.003 0.000 0.295 240 V C -0.924 175.137 176.094 -0.055 0.000 1.029 240 V CA -0.602 61.734 62.300 0.060 0.000 0.874 240 V CB 1.031 32.897 31.823 0.071 0.000 0.985 240 V HN 0.685 nan 8.190 nan 0.000 0.438 241 Y N 2.899 123.383 120.300 0.307 0.000 2.512 241 Y HA 0.750 5.302 4.550 0.003 0.000 0.348 241 Y C -0.498 175.597 175.900 0.325 0.000 0.990 241 Y CA -1.152 57.072 58.100 0.206 0.000 1.033 241 Y CB 1.917 40.467 38.460 0.151 0.000 1.259 241 Y HN 0.825 nan 8.280 nan 0.000 0.461 242 W N 1.896 123.314 121.300 0.197 0.000 3.274 242 W HA 0.715 5.376 4.660 0.003 0.000 0.327 242 W C -1.999 174.572 176.519 0.087 0.000 1.172 242 W CA -1.550 55.853 57.345 0.097 0.000 1.217 242 W CB 0.814 30.304 29.460 0.050 0.000 1.376 242 W HN 0.167 nan 8.180 nan 0.000 0.507 243 M N 3.714 123.408 119.600 0.157 0.000 2.284 243 M HA 0.010 4.491 4.480 0.003 0.000 0.351 243 M C 0.150 176.542 176.300 0.153 0.000 1.443 243 M CA 0.658 56.011 55.300 0.087 0.000 1.031 243 M CB 0.092 32.719 32.600 0.045 0.000 1.893 243 M HN 0.830 nan 8.290 nan 0.000 0.456 244 N N 1.581 120.329 118.700 0.081 0.000 2.159 244 N HA 0.129 4.870 4.740 0.003 0.000 0.217 244 N C -0.778 174.791 175.510 0.099 0.000 1.223 244 N CA 0.198 53.340 53.050 0.152 0.000 0.896 244 N CB 0.964 39.501 38.487 0.084 0.000 1.064 244 N HN 0.651 nan 8.380 nan 0.000 0.518 245 Q N 0.017 119.857 119.800 0.066 0.000 2.451 245 Q HA 0.259 4.601 4.340 0.003 0.000 0.281 245 Q C -1.255 174.766 176.000 0.034 0.000 1.099 245 Q CA -1.067 54.767 55.803 0.052 0.000 0.806 245 Q CB 1.775 30.541 28.738 0.045 0.000 1.419 245 Q HN 0.239 nan 8.270 nan 0.000 0.427 246 D N -0.344 120.078 120.400 0.037 0.000 2.433 246 D HA -0.032 4.610 4.640 0.003 0.000 0.255 246 D C 0.539 176.875 176.300 0.060 0.000 1.226 246 D CA -0.121 53.903 54.000 0.040 0.000 1.015 246 D CB 0.616 41.453 40.800 0.061 0.000 1.091 246 D HN 0.462 nan 8.370 nan 0.000 0.527 247 Q N -0.772 119.084 119.800 0.094 0.000 2.291 247 Q HA -0.045 4.297 4.340 0.003 0.000 0.205 247 Q C 1.539 177.580 176.000 0.068 0.000 0.970 247 Q CA 1.088 56.953 55.803 0.103 0.000 0.876 247 Q CB -0.041 28.786 28.738 0.150 0.000 0.935 247 Q HN 0.394 nan 8.270 nan 0.000 0.455 248 S N -0.838 114.898 115.700 0.059 0.000 2.562 248 S HA 0.124 4.596 4.470 0.003 0.000 0.221 248 S C 1.183 175.798 174.600 0.026 0.000 0.975 248 S CA 0.581 58.805 58.200 0.039 0.000 0.918 248 S CB 0.555 63.779 63.200 0.040 0.000 0.772 248 S HN 0.639 nan 8.310 nan 0.000 0.531 249 G N 2.154 110.971 108.800 0.028 0.000 2.141 249 G HA2 -0.203 3.759 3.960 0.003 0.000 0.231 249 G HA3 -0.203 3.759 3.960 0.003 0.000 0.231 249 G C -0.351 174.561 174.900 0.020 0.000 0.984 249 G CA -0.601 44.508 45.100 0.015 0.000 0.660 249 G HN 0.431 nan 8.290 nan 0.000 0.525 250 N N 1.209 119.926 118.700 0.029 0.000 2.470 250 N HA 0.427 5.169 4.740 0.003 0.000 0.268 250 N C 0.355 175.888 175.510 0.039 0.000 1.136 250 N CA 0.346 53.415 53.050 0.032 0.000 0.961 250 N CB 1.352 39.861 38.487 0.036 0.000 1.067 250 N HN 0.265 nan 8.380 nan 0.000 0.468 251 S N 0.065 115.789 115.700 0.039 0.000 2.652 251 S HA 0.544 5.016 4.470 0.003 0.000 0.270 251 S C 1.228 175.867 174.600 0.066 0.000 1.243 251 S CA 0.019 58.251 58.200 0.053 0.000 0.999 251 S CB 1.164 64.393 63.200 0.048 0.000 0.973 251 S HN 0.796 nan 8.310 nan 0.000 0.544 252 G N 1.099 109.955 108.800 0.094 0.000 2.160 252 G HA2 -0.215 3.747 3.960 0.003 0.000 0.244 252 G HA3 -0.215 3.747 3.960 0.003 0.000 0.244 252 G C -0.413 174.534 174.900 0.080 0.000 1.022 252 G CA -0.082 45.076 45.100 0.096 0.000 0.741 252 G HN 0.530 nan 8.290 nan 0.000 0.508 253 K N 0.181 120.632 120.400 0.084 0.000 2.450 253 K HA 0.590 4.911 4.320 0.003 0.000 0.257 253 K C 0.432 177.069 176.600 0.062 0.000 0.953 253 K CA -0.731 55.592 56.287 0.060 0.000 0.844 253 K CB 1.720 34.249 32.500 0.047 0.000 1.103 253 K HN 0.186 nan 8.250 nan 0.000 0.429 254 L N 0.561 121.806 121.223 0.037 0.000 2.421 254 L HA 0.353 4.695 4.340 0.003 0.000 0.263 254 L C 1.315 178.133 176.870 -0.087 0.000 1.122 254 L CA -0.192 54.649 54.840 0.002 0.000 0.804 254 L CB 0.855 42.900 42.059 -0.023 0.000 1.150 254 L HN 0.973 nan 8.230 nan 0.000 0.457 255 G N 1.181 109.837 108.800 -0.240 0.000 2.258 255 G HA2 -0.277 3.685 3.960 0.003 0.000 0.274 255 G HA3 -0.277 3.685 3.960 0.003 0.000 0.274 255 G C 0.560 175.384 174.900 -0.126 0.000 1.021 255 G CA 0.675 45.519 45.100 -0.427 0.000 0.798 255 G HN 0.606 nan 8.290 nan 0.000 0.507 256 S N -0.847 114.733 115.700 -0.199 0.000 2.730 256 S HA 0.341 4.813 4.470 0.003 0.000 0.244 256 S C 0.292 174.526 174.600 -0.610 0.000 1.022 256 S CA 0.123 58.163 58.200 -0.266 0.000 1.014 256 S CB 0.508 63.676 63.200 -0.053 0.000 0.963 256 S HN 0.676 nan 8.310 nan 0.000 0.540 257 N N 1.345 119.632 118.700 -0.688 0.000 3.046 257 N HA 0.232 4.974 4.740 0.003 0.000 0.243 257 N C -1.661 173.782 175.510 -0.113 0.000 1.452 257 N CA -0.477 52.267 53.050 -0.510 0.000 0.882 257 N CB 1.212 39.645 38.487 -0.091 0.000 1.425 257 N HN 0.287 nan 8.380 nan 0.000 0.517 258 H N -0.625 118.465 119.070 0.033 0.000 2.908 258 H HA 0.529 5.087 4.556 0.003 0.000 0.350 258 H C -0.597 174.644 175.328 -0.144 0.000 1.217 258 H CA -0.701 55.373 56.048 0.042 0.000 1.168 258 H CB 0.943 30.785 29.762 0.133 0.000 1.891 258 H HN 0.427 nan 8.280 nan 0.000 0.566 259 I N 2.434 122.822 120.570 -0.303 0.000 2.294 259 I HA 0.172 4.344 4.170 0.003 0.000 0.295 259 I C 0.351 176.184 176.117 -0.473 0.000 1.098 259 I CA -0.091 60.664 61.300 -0.909 0.000 1.277 259 I CB 0.109 37.569 38.000 -0.899 0.000 1.434 259 I HN 0.212 nan 8.210 nan 0.000 0.498 260 R N 6.856 127.139 120.500 -0.361 0.000 2.308 260 R HA 0.377 4.719 4.340 0.003 0.000 0.325 260 R C -0.534 175.822 176.300 0.093 0.000 1.161 260 R CA -0.504 55.622 56.100 0.043 0.000 1.022 260 R CB 0.363 30.680 30.300 0.029 0.000 1.091 260 R HN 0.554 nan 8.270 nan 0.000 0.497 261 L N 2.212 123.508 121.223 0.122 0.000 2.456 261 L HA 0.014 4.355 4.340 0.003 0.000 0.272 261 L C 1.220 178.148 176.870 0.098 0.000 1.189 261 L CA -0.032 54.912 54.840 0.174 0.000 0.846 261 L CB 0.142 42.294 42.059 0.156 0.000 1.111 261 L HN 0.572 nan 8.230 nan 0.000 0.475 262 N N 1.001 119.786 118.700 0.141 0.000 2.395 262 N HA -0.096 4.646 4.740 0.003 0.000 0.246 262 N C 1.112 176.681 175.510 0.099 0.000 1.246 262 N CA 0.497 53.565 53.050 0.030 0.000 0.879 262 N CB 1.062 39.582 38.487 0.054 0.000 1.098 262 N HN 0.741 nan 8.380 nan 0.000 0.444 263 S N 2.426 118.170 115.700 0.073 0.000 2.442 263 S HA -0.143 4.329 4.470 0.003 0.000 0.236 263 S C 1.223 175.935 174.600 0.186 0.000 1.007 263 S CA 1.153 59.447 58.200 0.156 0.000 0.965 263 S CB -0.414 62.858 63.200 0.121 0.000 0.773 263 S HN 0.691 nan 8.310 nan 0.000 0.504 264 N N 1.069 119.866 118.700 0.161 0.000 2.309 264 N HA -0.027 4.715 4.740 0.003 0.000 0.182 264 N C -0.248 175.430 175.510 0.279 0.000 1.018 264 N CA 1.069 54.238 53.050 0.198 0.000 0.876 264 N CB -0.161 38.408 38.487 0.137 0.000 0.972 264 N HN 0.316 nan 8.380 nan 0.000 0.434 265 T N 0.808 115.516 114.554 0.257 0.000 2.723 265 T HA 0.071 4.423 4.350 0.003 0.000 0.297 265 T C 0.316 175.262 174.700 0.411 0.000 0.925 265 T CA -0.283 61.971 62.100 0.257 0.000 1.030 265 T CB 0.184 69.190 68.868 0.229 0.000 0.905 265 T HN 0.319 nan 8.240 nan 0.000 0.502 266 Y N -0.201 120.347 120.300 0.412 0.000 2.481 266 Y HA 0.562 5.114 4.550 0.003 0.000 0.247 266 Y C -0.086 176.223 175.900 0.682 0.000 1.151 266 Y CA -1.206 57.202 58.100 0.513 0.000 1.238 266 Y CB 0.673 39.383 38.460 0.416 0.000 1.179 266 Y HN 0.495 nan 8.280 nan 0.000 0.524 267 W N 1.858 123.268 121.300 0.183 0.000 2.900 267 W HA 0.641 5.303 4.660 0.003 0.000 0.336 267 W C -2.032 174.665 176.519 0.296 0.000 1.064 267 W CA -1.736 55.758 57.345 0.248 0.000 1.237 267 W CB 2.301 31.665 29.460 -0.160 0.000 1.391 267 W HN -0.342 nan 8.180 nan 0.000 0.468 268 V N 7.465 127.910 119.914 0.886 0.000 2.357 268 V HA 0.213 4.335 4.120 0.003 0.000 0.284 268 V C -1.169 175.420 176.094 0.825 0.000 1.018 268 V CA -0.709 62.019 62.300 0.714 0.000 0.841 268 V CB 1.378 33.580 31.823 0.631 0.000 0.991 268 V HN 0.293 nan 8.190 nan 0.000 0.437 269 Y N 6.156 126.761 120.300 0.508 0.000 2.328 269 Y HA 0.660 5.212 4.550 0.003 0.000 0.333 269 Y C -0.722 175.454 175.900 0.460 0.000 0.958 269 Y CA -1.338 57.014 58.100 0.420 0.000 1.167 269 Y CB 1.488 40.023 38.460 0.125 0.000 1.151 269 Y HN 0.526 nan 8.280 nan 0.000 0.470 270 L N 6.820 127.995 121.223 -0.080 0.000 2.276 270 L HA 0.672 5.014 4.340 0.003 0.000 0.286 270 L C 0.404 177.073 176.870 -0.335 0.000 1.024 270 L CA -0.931 53.858 54.840 -0.086 0.000 0.826 270 L CB 1.025 43.114 42.059 0.051 0.000 1.211 270 L HN 0.803 nan 8.230 nan 0.000 0.422 271 A N 5.686 128.360 122.820 -0.243 0.000 2.448 271 A HA 0.451 4.773 4.320 0.003 0.000 0.239 271 A C -2.287 175.187 177.584 -0.183 0.000 1.080 271 A CA -0.957 50.974 52.037 -0.177 0.000 0.779 271 A CB -0.424 18.597 19.000 0.035 0.000 1.026 271 A HN 0.432 nan 8.150 nan 0.000 0.499 272 P HA 0.277 nan 4.420 nan 0.000 0.267 272 P C 0.844 177.602 177.300 -0.903 0.000 1.205 272 P CA 1.671 64.347 63.100 -0.705 0.000 0.765 272 P CB 0.614 31.919 31.700 -0.659 0.000 0.828 273 G N 1.710 109.797 108.800 -1.188 0.000 2.176 273 G HA2 -0.131 3.831 3.960 0.003 0.000 0.253 273 G HA3 -0.131 3.831 3.960 0.003 0.000 0.253 273 G C 0.311 175.222 174.900 0.019 0.000 0.979 273 G CA -0.019 44.684 45.100 -0.661 0.000 0.641 273 G HN 0.854 nan 8.290 nan 0.000 0.530 274 A N -0.320 122.533 122.820 0.055 0.000 2.331 274 A HA 0.734 5.056 4.320 0.003 0.000 0.283 274 A C -0.694 177.063 177.584 0.289 0.000 1.142 274 A CA -0.300 51.878 52.037 0.236 0.000 0.812 274 A CB 0.854 19.929 19.000 0.126 0.000 1.074 274 A HN 1.319 nan 8.150 nan 0.000 0.497 275 Y N 2.331 122.759 120.300 0.213 0.000 2.322 275 Y HA 0.491 5.042 4.550 0.003 0.000 0.324 275 Y C -1.092 174.882 175.900 0.124 0.000 1.027 275 Y CA -0.494 57.673 58.100 0.111 0.000 1.179 275 Y CB 1.745 40.216 38.460 0.018 0.000 1.136 275 Y HN 0.443 nan 8.280 nan 0.000 0.449 276 V N 6.637 126.440 119.914 -0.186 0.000 2.378 276 V HA 0.336 4.458 4.120 0.003 0.000 0.288 276 V C -0.678 175.313 176.094 -0.172 0.000 1.016 276 V CA -1.090 61.099 62.300 -0.185 0.000 0.840 276 V CB 1.440 32.874 31.823 -0.648 0.000 0.994 276 V HN 0.610 nan 8.190 nan 0.000 0.431 277 K N 4.323 124.751 120.400 0.046 0.000 2.250 277 K HA 0.654 4.976 4.320 0.003 0.000 0.285 277 K C 0.497 177.104 176.600 0.011 0.000 1.097 277 K CA 0.049 56.362 56.287 0.043 0.000 0.913 277 K CB 1.043 33.637 32.500 0.157 0.000 1.179 277 K HN 0.959 nan 8.250 nan 0.000 0.462 278 G N 0.829 109.627 108.800 -0.004 0.000 2.335 278 G HA2 0.612 4.574 3.960 0.003 0.000 0.291 278 G HA3 0.612 4.574 3.960 0.003 0.000 0.291 278 G C -1.890 173.069 174.900 0.099 0.000 1.261 278 G CA -0.335 44.818 45.100 0.090 0.000 0.871 278 G HN 0.565 nan 8.290 nan 0.000 0.491 279 A N -0.992 121.851 122.820 0.038 0.000 2.606 279 A HA 0.748 5.070 4.320 0.003 0.000 0.293 279 A C -1.665 175.868 177.584 -0.085 0.000 1.082 279 A CA -0.524 51.435 52.037 -0.130 0.000 0.685 279 A CB 1.508 20.386 19.000 -0.203 0.000 1.284 279 A HN 0.956 nan 8.150 nan 0.000 0.408 280 I N 1.335 121.828 120.570 -0.129 0.000 2.389 280 I HA 0.437 4.609 4.170 0.003 0.000 0.288 280 I C -0.081 176.079 176.117 0.072 0.000 0.999 280 I CA -0.064 61.204 61.300 -0.054 0.000 1.129 280 I CB 1.426 39.404 38.000 -0.037 0.000 1.288 280 I HN 0.892 nan 8.210 nan 0.000 0.444 281 E N 6.490 126.760 120.200 0.118 0.000 2.155 281 E HA 0.377 4.729 4.350 0.003 0.000 0.264 281 E C -1.512 175.071 176.600 -0.030 0.000 0.886 281 E CA -0.511 55.971 56.400 0.138 0.000 0.752 281 E CB 1.186 31.054 29.700 0.281 0.000 1.133 281 E HN 0.355 nan 8.360 nan 0.000 0.414 282 Y N 2.882 123.113 120.300 -0.114 0.000 2.301 282 Y HA 0.190 4.742 4.550 0.003 0.000 0.328 282 Y C 0.457 175.857 175.900 -0.833 0.000 1.242 282 Y CA -0.079 57.872 58.100 -0.248 0.000 1.323 282 Y CB 0.631 38.883 38.460 -0.346 0.000 1.266 282 Y HN 0.593 nan 8.280 nan 0.000 0.527 283 F N -1.365 118.373 119.950 -0.353 0.000 2.831 283 F HA 0.093 4.622 4.527 0.003 0.000 0.334 283 F C 1.170 176.899 175.800 -0.119 0.000 1.071 283 F CA -0.244 57.516 58.000 -0.400 0.000 1.172 283 F CB 0.153 39.047 39.000 -0.176 0.000 1.054 283 F HN 0.372 nan 8.300 nan 0.000 0.572 284 T N 1.040 115.706 114.554 0.187 0.000 2.932 284 T HA 0.031 4.383 4.350 0.003 0.000 0.312 284 T C 1.233 176.023 174.700 0.151 0.000 1.071 284 T CA 0.050 62.270 62.100 0.201 0.000 1.128 284 T CB 0.631 69.660 68.868 0.269 0.000 0.984 284 T HN 0.001 nan 8.240 nan 0.000 0.549 285 K N 2.595 123.056 120.400 0.102 0.000 2.374 285 K HA 0.100 4.422 4.320 0.003 0.000 0.196 285 K C 1.115 177.730 176.600 0.025 0.000 1.023 285 K CA 0.168 56.479 56.287 0.041 0.000 1.103 285 K CB 0.252 32.773 32.500 0.035 0.000 0.848 285 K HN 0.792 nan 8.250 nan 0.000 0.528 286 Q N 0.220 120.054 119.800 0.057 0.000 2.207 286 Q HA 0.275 4.616 4.340 0.003 0.000 0.237 286 Q C -0.467 175.596 176.000 0.105 0.000 0.998 286 Q CA -0.929 54.891 55.803 0.029 0.000 0.951 286 Q CB 0.387 29.096 28.738 -0.049 0.000 1.213 286 Q HN -0.225 nan 8.270 nan 0.000 0.499 287 N N 0.483 119.205 118.700 0.037 0.000 2.407 287 N HA 0.165 4.907 4.740 0.003 0.000 0.250 287 N C -1.018 174.586 175.510 0.156 0.000 1.236 287 N CA 0.362 53.417 53.050 0.009 0.000 0.879 287 N CB 0.021 38.478 38.487 -0.050 0.000 1.088 287 N HN 0.512 nan 8.380 nan 0.000 0.450 288 F N -0.303 119.533 119.950 -0.188 0.000 2.620 288 F HA 0.717 5.245 4.527 0.003 0.000 0.320 288 F C -1.298 174.378 175.800 -0.206 0.000 1.069 288 F CA -1.220 56.749 58.000 -0.052 0.000 0.953 288 F CB 1.200 40.043 39.000 -0.263 0.000 1.322 288 F HN 0.210 nan 8.300 nan 0.000 0.479 289 Y N 0.737 121.073 120.300 0.060 0.000 2.492 289 Y HA 0.738 5.290 4.550 0.003 0.000 0.346 289 Y C -0.588 175.398 175.900 0.142 0.000 0.997 289 Y CA -1.534 56.399 58.100 -0.278 0.000 1.025 289 Y CB 2.434 40.158 38.460 -1.227 0.000 1.263 289 Y HN 0.983 nan 8.280 nan 0.000 0.454 290 A N 2.031 124.922 122.820 0.118 0.000 2.410 290 A HA 0.723 5.045 4.320 0.003 0.000 0.289 290 A C -0.478 177.166 177.584 0.099 0.000 1.200 290 A CA -0.438 51.748 52.037 0.248 0.000 0.751 290 A CB 0.354 19.355 19.000 0.002 0.000 1.161 290 A HN 0.734 nan 8.150 nan 0.000 0.459 291 T N -0.906 113.889 114.554 0.402 0.000 2.887 291 T HA 0.958 5.310 4.350 0.003 0.000 0.292 291 T C 0.168 175.126 174.700 0.429 0.000 1.087 291 T CA -0.264 62.067 62.100 0.385 0.000 1.009 291 T CB 1.576 70.745 68.868 0.502 0.000 1.203 291 T HN 2.523 nan 8.240 nan 0.000 0.518 292 G N 0.214 109.161 108.800 0.245 0.000 2.570 292 G HA2 -0.004 3.957 3.960 0.003 0.000 0.686 292 G HA3 -0.004 3.957 3.960 0.003 0.000 0.686 292 G C -0.548 174.346 174.900 -0.009 0.000 1.257 292 G CA -0.550 44.577 45.100 0.046 0.000 0.846 292 G HN 1.103 nan 8.290 nan 0.000 0.627 293 H N 0.257 119.374 119.070 0.078 0.000 2.524 293 H HA 0.422 4.980 4.556 0.003 0.000 0.299 293 H C 1.629 176.988 175.328 0.053 0.000 1.074 293 H CA 0.200 56.312 56.048 0.107 0.000 1.115 293 H CB 0.413 30.264 29.762 0.147 0.000 1.522 293 H HN 0.754 nan 8.280 nan 0.000 0.543 294 G N 0.216 109.086 108.800 0.116 0.000 2.525 294 G HA2 0.498 4.460 3.960 0.003 0.000 0.287 294 G HA3 0.498 4.460 3.960 0.003 0.000 0.287 294 G C -0.501 174.482 174.900 0.137 0.000 1.350 294 G CA -0.506 44.647 45.100 0.087 0.000 1.039 294 G HN 0.176 nan 8.290 nan 0.000 0.513 295 I N -0.400 120.196 120.570 0.043 0.000 2.498 295 I HA 0.300 4.472 4.170 0.003 0.000 0.290 295 I C -1.132 174.845 176.117 -0.234 0.000 1.032 295 I CA -0.617 60.646 61.300 -0.061 0.000 1.073 295 I CB 2.309 40.217 38.000 -0.153 0.000 1.251 295 I HN 0.210 nan 8.210 nan 0.000 0.426 296 L N 5.900 127.014 121.223 -0.182 0.000 2.280 296 L HA 0.567 4.909 4.340 0.003 0.000 0.287 296 L C -0.328 176.379 176.870 -0.272 0.000 1.023 296 L CA 0.290 54.962 54.840 -0.280 0.000 0.819 296 L CB 1.464 43.336 42.059 -0.313 0.000 1.212 296 L HN 0.565 nan 8.230 nan 0.000 0.420 297 S N 2.649 118.178 115.700 -0.287 0.000 2.473 297 S HA 0.668 5.140 4.470 0.003 0.000 0.307 297 S C 0.693 175.285 174.600 -0.014 0.000 1.094 297 S CA -0.178 57.926 58.200 -0.160 0.000 1.070 297 S CB 1.315 64.398 63.200 -0.195 0.000 1.019 297 S HN 0.848 nan 8.310 nan 0.000 0.480 298 G N 2.813 111.659 108.800 0.077 0.000 3.448 298 G HA2 0.116 4.077 3.960 0.003 0.000 0.261 298 G HA3 0.116 4.077 3.960 0.003 0.000 0.261 298 G C 0.931 175.967 174.900 0.227 0.000 1.173 298 G CA -0.016 45.247 45.100 0.272 0.000 0.835 298 G HN 0.887 nan 8.290 nan 0.000 0.534 299 E N -0.105 120.170 120.200 0.125 0.000 2.338 299 E HA -0.131 4.221 4.350 0.003 0.000 0.197 299 E C 1.310 177.950 176.600 0.068 0.000 1.007 299 E CA 0.857 57.335 56.400 0.129 0.000 0.849 299 E CB -0.313 29.476 29.700 0.148 0.000 0.774 299 E HN 0.515 nan 8.360 nan 0.000 0.506 300 N N -0.728 117.927 118.700 -0.074 0.000 2.353 300 N HA 0.039 4.781 4.740 0.003 0.000 0.185 300 N C -0.566 174.843 175.510 -0.169 0.000 1.098 300 N CA -0.141 52.816 53.050 -0.155 0.000 0.872 300 N CB 0.167 38.502 38.487 -0.253 0.000 0.970 300 N HN 0.135 nan 8.380 nan 0.000 0.467 301 Y N 1.077 121.442 120.300 0.107 0.000 2.304 301 Y HA 0.207 4.758 4.550 0.003 0.000 0.328 301 Y C 0.911 176.898 175.900 0.146 0.000 1.123 301 Y CA -1.340 56.825 58.100 0.107 0.000 1.218 301 Y CB 0.623 39.136 38.460 0.088 0.000 1.207 301 Y HN -0.226 nan 8.280 nan 0.000 0.495 302 V N 0.997 121.064 119.914 0.255 0.000 3.264 302 V HA 0.100 4.222 4.120 0.003 0.000 0.304 302 V C -0.318 175.797 176.094 0.035 0.000 1.086 302 V CA -1.217 61.181 62.300 0.163 0.000 1.090 302 V CB 0.342 32.214 31.823 0.082 0.000 1.112 302 V HN 0.670 nan 8.190 nan 0.000 0.472 303 Y N 3.200 123.293 120.300 -0.344 0.000 2.802 303 Y HA 0.162 4.714 4.550 0.003 0.000 0.333 303 Y C 1.186 176.884 175.900 -0.337 0.000 1.244 303 Y CA 0.715 58.389 58.100 -0.711 0.000 1.558 303 Y CB -0.528 37.411 38.460 -0.869 0.000 1.233 303 Y HN 0.987 nan 8.280 nan 0.000 0.547 304 Q N 2.044 121.461 119.800 -0.639 0.000 2.460 304 Q HA -0.247 4.095 4.340 0.003 0.000 0.248 304 Q C 0.285 175.936 176.000 -0.582 0.000 0.847 304 Q CA 0.449 55.826 55.803 -0.709 0.000 1.214 304 Q CB -1.985 26.230 28.738 -0.871 0.000 1.523 304 Q HN 0.936 nan 8.270 nan 0.000 0.602 305 A N 1.651 124.259 122.820 -0.353 0.000 2.589 305 A HA -0.048 4.274 4.320 0.003 0.000 0.259 305 A C 0.406 177.757 177.584 -0.387 0.000 1.000 305 A CA 0.655 52.550 52.037 -0.237 0.000 0.847 305 A CB 0.040 19.027 19.000 -0.023 0.000 0.885 305 A HN 0.329 nan 8.150 nan 0.000 0.508 306 N N 2.797 121.267 118.700 -0.383 0.000 2.469 306 N HA 0.368 5.110 4.740 0.003 0.000 0.239 306 N C 0.932 176.104 175.510 -0.563 0.000 1.053 306 N CA 0.402 53.194 53.050 -0.430 0.000 0.937 306 N CB 1.074 39.360 38.487 -0.335 0.000 1.163 306 N HN 0.604 nan 8.380 nan 0.000 0.509 307 A N 2.569 125.019 122.820 -0.617 0.000 2.121 307 A HA 0.029 4.350 4.320 0.003 0.000 0.218 307 A C 1.673 179.019 177.584 -0.395 0.000 1.154 307 A CA 1.310 52.840 52.037 -0.845 0.000 0.679 307 A CB -0.264 18.615 19.000 -0.202 0.000 0.795 307 A HN 0.629 nan 8.150 nan 0.000 0.458 308 G N -1.642 107.024 108.800 -0.222 0.000 2.985 308 G HA2 0.230 4.191 3.960 0.003 0.000 0.209 308 G HA3 0.230 4.191 3.960 0.003 0.000 0.209 308 G C 0.111 174.944 174.900 -0.113 0.000 1.165 308 G CA 0.782 45.812 45.100 -0.117 0.000 0.776 308 G HN 0.357 nan 8.290 nan 0.000 0.541 309 D N 0.148 120.447 120.400 -0.168 0.000 3.118 309 D HA 0.098 4.740 4.640 0.003 0.000 0.286 309 D C 0.505 176.756 176.300 -0.082 0.000 1.255 309 D CA -0.660 53.280 54.000 -0.100 0.000 0.748 309 D CB -0.913 39.828 40.800 -0.097 0.000 1.332 309 D HN -0.041 nan 8.370 nan 0.000 0.575 310 N N 1.371 120.066 118.700 -0.009 0.000 2.741 310 N HA -0.276 4.466 4.740 0.003 0.000 0.251 310 N C -0.364 175.300 175.510 0.258 0.000 1.112 310 N CA 0.950 54.097 53.050 0.161 0.000 0.750 310 N CB -1.488 37.062 38.487 0.104 0.000 1.119 310 N HN 0.510 nan 8.380 nan 0.000 0.561 311 Y N -2.504 117.792 120.300 -0.007 0.000 3.929 311 Y HA -0.271 4.281 4.550 0.003 0.000 0.225 311 Y C 1.239 177.088 175.900 -0.086 0.000 1.200 311 Y CA 1.040 59.132 58.100 -0.013 0.000 1.791 311 Y CB -2.325 36.202 38.460 0.111 0.000 1.561 311 Y HN 0.512 nan 8.280 nan 0.000 0.657 312 I N -2.387 118.111 120.570 -0.120 0.000 3.110 312 I HA 0.715 4.887 4.170 0.003 0.000 0.314 312 I C 1.142 177.015 176.117 -0.406 0.000 1.020 312 I CA -0.455 60.647 61.300 -0.329 0.000 1.169 312 I CB 1.448 39.134 38.000 -0.523 0.000 1.437 312 I HN 0.033 nan 8.210 nan 0.000 0.595 313 A N 3.448 125.928 122.820 -0.566 0.000 3.019 313 A HA 0.488 4.809 4.320 0.003 0.000 0.262 313 A C -0.028 177.391 177.584 -0.274 0.000 1.509 313 A CA -0.242 51.586 52.037 -0.350 0.000 1.159 313 A CB -1.239 17.670 19.000 -0.152 0.000 1.042 313 A HN 0.433 nan 8.150 nan 0.000 0.641 314 V N 1.225 120.961 119.914 -0.296 0.000 2.347 314 V HA 0.167 4.289 4.120 0.003 0.000 0.280 314 V C 0.485 176.417 176.094 -0.270 0.000 1.021 314 V CA -0.808 61.383 62.300 -0.182 0.000 0.847 314 V CB 1.382 33.134 31.823 -0.119 0.000 0.990 314 V HN 0.648 nan 8.190 nan 0.000 0.444 315 K N 3.244 123.490 120.400 -0.256 0.000 2.451 315 K HA 0.262 4.584 4.320 0.003 0.000 0.280 315 K C -0.051 176.387 176.600 -0.270 0.000 1.020 315 K CA 0.282 56.366 56.287 -0.339 0.000 1.008 315 K CB 0.495 32.875 32.500 -0.200 0.000 0.917 315 K HN 0.708 nan 8.250 nan 0.000 0.478 316 S N 3.459 118.940 115.700 -0.364 0.000 2.672 316 S HA 0.155 4.627 4.470 0.003 0.000 0.291 316 S C 0.094 174.586 174.600 -0.180 0.000 1.145 316 S CA -0.867 57.205 58.200 -0.214 0.000 1.013 316 S CB 1.311 64.407 63.200 -0.173 0.000 1.017 316 S HN 0.709 nan 8.310 nan 0.000 0.487 317 D N 2.710 123.087 120.400 -0.039 0.000 2.178 317 D HA -0.096 4.546 4.640 0.003 0.000 0.201 317 D C 1.997 178.343 176.300 0.077 0.000 0.980 317 D CA 1.795 55.832 54.000 0.063 0.000 0.842 317 D CB 0.025 40.837 40.800 0.019 0.000 0.948 317 D HN 0.660 nan 8.370 nan 0.000 0.472 318 S N -0.552 115.173 115.700 0.042 0.000 2.406 318 S HA -0.069 4.403 4.470 0.003 0.000 0.224 318 S C 1.889 176.600 174.600 0.184 0.000 1.030 318 S CA 1.406 59.663 58.200 0.096 0.000 0.958 318 S CB -0.087 63.137 63.200 0.041 0.000 0.811 318 S HN 0.256 nan 8.310 nan 0.000 0.489 319 T N -1.688 112.913 114.554 0.078 0.000 3.043 319 T HA 0.374 4.726 4.350 0.003 0.000 0.272 319 T C 0.404 175.066 174.700 -0.064 0.000 0.990 319 T CA -0.320 61.864 62.100 0.140 0.000 0.897 319 T CB 0.019 68.900 68.868 0.021 0.000 1.111 319 T HN 0.156 nan 8.240 nan 0.000 0.529 320 S N 2.048 117.531 115.700 -0.362 0.000 2.572 320 S HA 0.444 4.916 4.470 0.003 0.000 0.279 320 S C -0.074 174.071 174.600 -0.758 0.000 1.341 320 S CA -0.656 57.097 58.200 -0.745 0.000 1.043 320 S CB 0.460 62.711 63.200 -1.581 0.000 0.887 320 S HN 0.490 nan 8.310 nan 0.000 0.516 321 L N 3.999 124.771 121.223 -0.751 0.000 2.360 321 L HA 0.370 4.712 4.340 0.003 0.000 0.276 321 L C 0.057 176.409 176.870 -0.863 0.000 1.121 321 L CA 0.239 54.516 54.840 -0.939 0.000 0.845 321 L CB 0.232 41.870 42.059 -0.703 0.000 1.143 321 L HN 0.448 nan 8.230 nan 0.000 0.452 322 R N 4.060 123.778 120.500 -1.303 0.000 2.500 322 R HA 0.358 4.700 4.340 0.003 0.000 0.277 322 R C 1.074 177.034 176.300 -0.566 0.000 1.026 322 R CA -0.517 55.090 56.100 -0.822 0.000 1.058 322 R CB 0.709 30.439 30.300 -0.949 0.000 1.078 322 R HN 0.607 nan 8.270 nan 0.000 0.509 323 M N 0.072 119.420 119.600 -0.419 0.000 2.175 323 M HA -0.018 4.464 4.480 0.003 0.000 0.264 323 M C -0.254 175.713 176.300 -0.555 0.000 1.063 323 M CA 1.259 56.251 55.300 -0.514 0.000 1.119 323 M CB -0.204 32.056 32.600 -0.567 0.000 1.377 323 M HN 0.446 nan 8.290 nan 0.000 0.415 324 W N -0.902 120.390 121.300 -0.014 0.000 2.619 324 W HA 0.404 5.066 4.660 0.003 0.000 0.327 324 W C -0.801 175.851 176.519 0.223 0.000 1.027 324 W CA -0.703 56.718 57.345 0.127 0.000 1.233 324 W CB 0.890 30.372 29.460 0.037 0.000 1.370 324 W HN -0.024 nan 8.180 nan 0.000 0.453 325 W N 3.823 125.353 121.300 0.383 0.000 3.107 325 W HA 0.478 5.140 4.660 0.003 0.000 0.331 325 W C -1.347 175.369 176.519 0.329 0.000 1.204 325 W CA -1.348 56.156 57.345 0.264 0.000 1.184 325 W CB 1.691 31.157 29.460 0.011 0.000 1.421 325 W HN 0.271 nan 8.180 nan 0.000 0.544 326 H N 3.377 122.611 119.070 0.274 0.000 3.086 326 H HA 0.284 4.842 4.556 0.003 0.000 0.353 326 H C -0.678 174.454 175.328 -0.328 0.000 1.134 326 H CA -0.169 55.760 56.048 -0.198 0.000 1.248 326 H CB 1.811 31.394 29.762 -0.298 0.000 1.878 326 H HN 0.490 nan 8.280 nan 0.000 0.527 327 N N 2.695 121.132 118.700 -0.439 0.000 2.241 327 N HA 0.080 4.821 4.740 0.003 0.000 0.238 327 N C -0.423 174.965 175.510 -0.202 0.000 1.244 327 N CA -0.000 52.846 53.050 -0.339 0.000 0.880 327 N CB 0.781 38.942 38.487 -0.543 0.000 1.179 327 N HN 0.492 nan 8.380 nan 0.000 0.513 328 N N 0.917 119.584 118.700 -0.055 0.000 2.598 328 N HA 0.193 4.935 4.740 0.003 0.000 0.295 328 N C -0.427 175.159 175.510 0.128 0.000 1.729 328 N CA -0.060 52.983 53.050 -0.011 0.000 0.877 328 N CB 1.619 40.040 38.487 -0.110 0.000 1.405 328 N HN 0.062 nan 8.380 nan 0.000 0.491 329 L N -0.131 121.093 121.223 0.001 0.000 2.483 329 L HA 0.134 4.476 4.340 0.003 0.000 0.276 329 L C 1.725 178.537 176.870 -0.098 0.000 1.213 329 L CA 0.335 55.049 54.840 -0.210 0.000 0.843 329 L CB 0.636 42.526 42.059 -0.281 0.000 1.107 329 L HN 0.236 nan 8.230 nan 0.000 0.487 330 G N 0.765 109.505 108.800 -0.100 0.000 2.921 330 G HA2 0.443 4.405 3.960 0.003 0.000 0.213 330 G HA3 0.443 4.405 3.960 0.003 0.000 0.213 330 G C 0.577 175.439 174.900 -0.064 0.000 1.143 330 G CA 0.419 45.485 45.100 -0.056 0.000 0.764 330 G HN 1.014 nan 8.290 nan 0.000 0.542 331 G N -1.324 107.421 108.800 -0.092 0.000 2.788 331 G HA2 0.431 4.393 3.960 0.003 0.000 0.686 331 G HA3 0.431 4.393 3.960 0.003 0.000 0.686 331 G C 0.736 175.589 174.900 -0.079 0.000 1.147 331 G CA 0.294 45.343 45.100 -0.085 0.000 0.755 331 G HN 1.853 nan 8.290 nan 0.000 0.634 332 G N 0.056 108.805 108.800 -0.085 0.000 2.246 332 G HA2 -0.017 3.945 3.960 0.003 0.000 0.273 332 G HA3 -0.017 3.945 3.960 0.003 0.000 0.273 332 G C 0.212 175.058 174.900 -0.089 0.000 1.055 332 G CA 1.447 46.500 45.100 -0.078 0.000 0.851 332 G HN 1.160 nan 8.290 nan 0.000 0.500 333 Q N -0.620 119.109 119.800 -0.119 0.000 2.348 333 Q HA 0.718 5.060 4.340 0.003 0.000 0.271 333 Q C -0.442 175.421 176.000 -0.229 0.000 1.067 333 Q CA -0.539 55.185 55.803 -0.132 0.000 0.839 333 Q CB 2.064 30.759 28.738 -0.073 0.000 1.354 333 Q HN 0.210 nan 8.270 nan 0.000 0.447 334 T N 0.918 115.269 114.554 -0.338 0.000 2.861 334 T HA 0.301 4.653 4.350 0.003 0.000 0.287 334 T C -1.733 172.427 174.700 -0.899 0.000 1.003 334 T CA -0.589 61.176 62.100 -0.557 0.000 0.977 334 T CB 0.700 69.207 68.868 -0.601 0.000 0.996 334 T HN 0.437 nan 8.240 nan 0.000 0.448 335 W N 4.284 124.852 121.300 -1.219 0.000 2.338 335 W HA 0.545 5.207 4.660 0.003 0.000 0.307 335 W C -1.637 174.231 176.519 -1.086 0.000 1.167 335 W CA -1.633 54.868 57.345 -1.408 0.000 1.208 335 W CB 0.221 29.030 29.460 -1.085 0.000 1.228 335 W HN 0.603 nan 8.180 nan 0.000 0.499 336 Y N 6.413 126.038 120.300 -1.125 0.000 2.385 336 Y HA 0.349 4.901 4.550 0.003 0.000 0.341 336 Y C 0.256 175.425 175.900 -1.218 0.000 0.965 336 Y CA -0.630 56.866 58.100 -1.007 0.000 1.180 336 Y CB 1.129 39.035 38.460 -0.923 0.000 1.139 336 Y HN 0.351 nan 8.280 nan 0.000 0.502 337 C N 5.518 124.090 119.300 -1.213 0.000 2.294 337 C HA 0.816 5.278 4.460 0.003 0.000 0.319 337 C C -0.961 173.656 174.990 -0.623 0.000 1.164 337 C CA -0.538 57.731 59.018 -1.248 0.000 1.497 337 C CB -1.271 25.187 27.740 -2.137 0.000 2.061 337 C HN 0.626 nan 8.230 nan 0.000 0.438 338 V N 6.824 126.545 119.914 -0.322 0.000 2.462 338 V HA 0.759 4.881 4.120 0.003 0.000 0.288 338 V C 0.840 176.918 176.094 -0.026 0.000 1.020 338 V CA 0.649 62.870 62.300 -0.132 0.000 0.857 338 V CB 0.778 32.564 31.823 -0.062 0.000 1.013 338 V HN 1.228 nan 8.190 nan 0.000 0.431 339 G N 6.301 115.126 108.800 0.043 0.000 2.436 339 G HA2 -0.106 3.856 3.960 0.003 0.000 0.204 339 G HA3 -0.106 3.856 3.960 0.003 0.000 0.204 339 G C -2.361 172.690 174.900 0.251 0.000 1.026 339 G CA -0.314 44.846 45.100 0.100 0.000 0.658 339 G HN 0.588 nan 8.290 nan 0.000 0.499 340 P HA 0.423 nan 4.420 nan 0.000 0.268 340 P C -0.229 177.289 177.300 0.364 0.000 1.208 340 P CA 0.802 64.131 63.100 0.382 0.000 0.777 340 P CB 0.812 32.823 31.700 0.518 0.000 0.875 341 T N 2.593 117.303 114.554 0.260 0.000 2.807 341 T HA 0.601 4.953 4.350 0.003 0.000 0.279 341 T C 0.176 174.935 174.700 0.099 0.000 0.993 341 T CA -0.454 61.694 62.100 0.079 0.000 0.970 341 T CB 0.142 69.053 68.868 0.071 0.000 0.950 341 T HN 0.254 nan 8.240 nan 0.000 0.441 342 I N 1.320 121.904 120.570 0.023 0.000 2.498 342 I HA 0.646 4.818 4.170 0.003 0.000 0.301 342 I C -0.219 175.810 176.117 -0.148 0.000 0.984 342 I CA -0.708 60.575 61.300 -0.030 0.000 1.204 342 I CB 1.539 39.557 38.000 0.030 0.000 1.362 342 I HN 0.490 nan 8.210 nan 0.000 0.471 343 N N 4.150 122.771 118.700 -0.130 0.000 2.238 343 N HA 0.475 5.217 4.740 0.003 0.000 0.302 343 N C -0.130 175.363 175.510 -0.028 0.000 1.072 343 N CA -0.038 52.944 53.050 -0.114 0.000 0.792 343 N CB 2.061 40.554 38.487 0.011 0.000 1.425 343 N HN 1.185 nan 8.380 nan 0.000 0.478 344 A N 1.706 124.521 122.820 -0.008 0.000 2.610 344 A HA -0.110 4.212 4.320 0.003 0.000 0.299 344 A C -2.454 175.198 177.584 0.115 0.000 1.487 344 A CA -0.010 52.068 52.037 0.068 0.000 0.743 344 A CB -1.677 17.400 19.000 0.130 0.000 1.070 344 A HN 0.585 nan 8.150 nan 0.000 0.439 345 P HA 0.203 nan 4.420 nan 0.000 0.271 345 P C -1.830 175.609 177.300 0.232 0.000 1.216 345 P CA -1.289 61.855 63.100 0.072 0.000 0.771 345 P CB 0.492 32.175 31.700 -0.028 0.000 0.864 346 P HA 0.055 nan 4.420 nan 0.000 0.236 346 P C 0.019 177.438 177.300 0.197 0.000 1.177 346 P CA 0.858 64.110 63.100 0.253 0.000 0.773 346 P CB 0.226 32.000 31.700 0.122 0.000 0.878 347 F N -0.538 119.354 119.950 -0.097 0.000 3.461 347 F HA 0.316 4.845 4.527 0.004 0.000 0.328 347 F C -0.829 174.869 175.800 -0.169 0.000 1.160 347 F CA -1.381 56.514 58.000 -0.176 0.000 0.879 347 F CB 0.172 38.984 39.000 -0.313 0.000 1.559 347 F HN -0.396 nan 8.300 nan 0.000 0.510 348 N N 0.669 118.844 118.700 -0.874 0.000 2.293 348 N HA 0.043 4.785 4.740 0.003 0.000 0.253 348 N C 0.577 175.887 175.510 -0.332 0.000 1.248 348 N CA 0.894 53.590 53.050 -0.590 0.000 0.845 348 N CB 0.790 38.895 38.487 -0.637 0.000 1.073 348 N HN 0.669 nan 8.380 nan 0.000 0.464 349 T N -0.527 113.866 114.554 -0.268 0.000 2.978 349 T HA -0.000 4.352 4.350 0.003 0.000 0.262 349 T C 0.735 175.350 174.700 -0.141 0.000 1.063 349 T CA 0.585 62.573 62.100 -0.186 0.000 1.140 349 T CB 0.348 69.140 68.868 -0.127 0.000 0.886 349 T HN 0.434 nan 8.240 nan 0.000 0.470 350 M N 1.367 120.849 119.600 -0.197 0.000 2.322 350 M HA 0.430 4.912 4.480 0.003 0.000 0.285 350 M C -2.628 173.485 176.300 -0.313 0.000 1.119 350 M CA -0.326 54.834 55.300 -0.233 0.000 0.953 350 M CB 2.376 34.824 32.600 -0.254 0.000 1.701 350 M HN 0.033 nan 8.290 nan 0.000 0.479 351 D N 4.802 125.057 120.400 -0.241 0.000 2.927 351 D HA 0.476 5.118 4.640 0.003 0.000 0.219 351 D C -1.774 174.625 176.300 0.164 0.000 1.248 351 D CA -0.026 53.944 54.000 -0.049 0.000 0.861 351 D CB 2.071 42.952 40.800 0.135 0.000 1.677 351 D HN 0.567 nan 8.370 nan 0.000 0.511 352 F N 1.720 121.846 119.950 0.295 0.000 2.460 352 F HA 0.380 4.909 4.527 0.003 0.000 0.341 352 F C 0.575 176.358 175.800 -0.028 0.000 1.130 352 F CA -0.971 57.083 58.000 0.091 0.000 0.962 352 F CB 1.609 40.580 39.000 -0.048 0.000 1.171 352 F HN -0.074 nan 8.300 nan 0.000 0.436 353 N N 1.471 120.262 118.700 0.152 0.000 2.292 353 N HA 0.656 5.397 4.740 0.003 0.000 0.303 353 N C 0.510 176.010 175.510 -0.017 0.000 1.140 353 N CA -0.246 52.834 53.050 0.050 0.000 0.788 353 N CB 2.227 40.748 38.487 0.056 0.000 1.361 353 N HN 0.835 nan 8.380 nan 0.000 0.489 354 G N 0.501 109.281 108.800 -0.034 0.000 3.006 354 G HA2 -0.161 3.801 3.960 0.003 0.000 0.195 354 G HA3 -0.161 3.801 3.960 0.003 0.000 0.195 354 G C -0.299 174.571 174.900 -0.049 0.000 1.034 354 G CA -0.263 44.812 45.100 -0.042 0.000 0.807 354 G HN 0.536 nan 8.290 nan 0.000 0.469 355 N N -0.838 117.817 118.700 -0.075 0.000 2.598 355 N HA 0.423 5.165 4.740 0.003 0.000 0.263 355 N C 0.815 176.262 175.510 -0.105 0.000 1.254 355 N CA 0.252 53.258 53.050 -0.073 0.000 0.863 355 N CB 1.565 40.007 38.487 -0.076 0.000 1.586 355 N HN 0.321 nan 8.380 nan 0.000 0.491 356 S N -1.014 114.638 115.700 -0.081 0.000 2.527 356 S HA 0.050 4.522 4.470 0.003 0.000 0.222 356 S C 1.050 175.562 174.600 -0.148 0.000 0.985 356 S CA 0.381 58.522 58.200 -0.097 0.000 0.921 356 S CB -0.218 62.969 63.200 -0.021 0.000 0.772 356 S HN 0.618 nan 8.310 nan 0.000 0.529 357 G N 1.921 110.642 108.800 -0.131 0.000 3.008 357 G HA2 0.492 4.454 3.960 0.003 0.000 0.272 357 G HA3 0.492 4.454 3.960 0.003 0.000 0.272 357 G C -0.639 174.152 174.900 -0.182 0.000 0.764 357 G CA -0.286 44.735 45.100 -0.132 0.000 2.029 357 G HN 0.476 nan 8.290 nan 0.000 0.587 358 I N 0.082 120.502 120.570 -0.250 0.000 2.769 358 I HA 0.787 4.959 4.170 0.003 0.000 0.298 358 I C -0.663 175.307 176.117 -0.245 0.000 1.128 358 I CA -0.756 60.363 61.300 -0.301 0.000 1.031 358 I CB 2.498 40.217 38.000 -0.468 0.000 1.235 358 I HN 0.142 nan 8.210 nan 0.000 0.423 359 S N 3.343 118.940 115.700 -0.172 0.000 2.596 359 S HA 0.879 5.351 4.470 0.003 0.000 0.270 359 S C -1.571 172.966 174.600 -0.104 0.000 1.155 359 S CA -0.413 57.736 58.200 -0.085 0.000 0.827 359 S CB 1.428 64.552 63.200 -0.127 0.000 1.130 359 S HN 0.686 nan 8.310 nan 0.000 0.467 360 S N 1.803 117.462 115.700 -0.069 0.000 2.548 360 S HA 0.580 5.051 4.470 0.003 0.000 0.286 360 S C -1.671 172.760 174.600 -0.281 0.000 1.098 360 S CA -0.835 57.268 58.200 -0.162 0.000 0.930 360 S CB 1.746 65.003 63.200 0.094 0.000 1.070 360 S HN 0.637 nan 8.310 nan 0.000 0.480 361 Q N 1.937 121.449 119.800 -0.480 0.000 2.381 361 Q HA 0.490 4.832 4.340 0.003 0.000 0.263 361 Q C -1.117 174.636 176.000 -0.412 0.000 1.030 361 Q CA 0.022 55.602 55.803 -0.371 0.000 0.772 361 Q CB 1.405 29.920 28.738 -0.371 0.000 1.232 361 Q HN 0.609 nan 8.270 nan 0.000 0.476 362 I N 1.953 122.334 120.570 -0.315 0.000 2.389 362 I HA 0.417 4.588 4.170 0.003 0.000 0.288 362 I C -0.071 175.859 176.117 -0.311 0.000 0.999 362 I CA -0.494 60.590 61.300 -0.360 0.000 1.129 362 I CB 1.767 39.630 38.000 -0.229 0.000 1.288 362 I HN 0.489 nan 8.210 nan 0.000 0.444 363 S N 2.595 118.099 115.700 -0.327 0.000 2.570 363 S HA 0.436 4.908 4.470 0.003 0.000 0.270 363 S C -0.541 173.978 174.600 -0.135 0.000 1.149 363 S CA -0.825 57.136 58.200 -0.400 0.000 0.837 363 S CB 1.886 64.571 63.200 -0.859 0.000 1.124 363 S HN 0.753 nan 8.310 nan 0.000 0.465 364 D N -0.128 120.229 120.400 -0.072 0.000 2.697 364 D HA -0.234 4.408 4.640 0.003 0.000 0.235 364 D C -0.982 175.382 176.300 0.107 0.000 1.167 364 D CA 1.225 55.248 54.000 0.038 0.000 0.656 364 D CB -1.470 39.396 40.800 0.110 0.000 1.025 364 D HN 0.702 nan 8.370 nan 0.000 0.419 365 Y N 0.439 120.714 120.300 -0.042 0.000 2.391 365 Y HA 0.600 5.152 4.550 0.003 0.000 0.341 365 Y C -0.786 175.191 175.900 0.128 0.000 0.965 365 Y CA -0.879 57.253 58.100 0.053 0.000 1.067 365 Y CB 1.268 39.790 38.460 0.103 0.000 1.199 365 Y HN -0.070 nan 8.280 nan 0.000 0.450 366 K N 4.175 124.274 120.400 -0.502 0.000 2.375 366 K HA 0.491 4.813 4.320 0.003 0.000 0.249 366 K C -1.572 174.782 176.600 -0.409 0.000 0.942 366 K CA -0.970 55.062 56.287 -0.425 0.000 0.806 366 K CB 2.348 34.355 32.500 -0.821 0.000 1.227 366 K HN 0.644 nan 8.250 nan 0.000 0.430 367 Q N 2.027 121.767 119.800 -0.100 0.000 2.274 367 Q HA 0.547 4.889 4.340 0.003 0.000 0.268 367 Q C -1.485 174.486 176.000 -0.048 0.000 1.015 367 Q CA -0.806 54.914 55.803 -0.138 0.000 0.775 367 Q CB 1.734 30.358 28.738 -0.191 0.000 1.256 367 Q HN 0.544 nan 8.270 nan 0.000 0.442 368 V N 0.046 119.828 119.914 -0.220 0.000 3.040 368 V HA 0.925 5.047 4.120 0.003 0.000 0.312 368 V C 0.533 176.457 176.094 -0.282 0.000 1.115 368 V CA 0.030 62.139 62.300 -0.318 0.000 0.998 368 V CB 1.469 32.843 31.823 -0.747 0.000 1.042 368 V HN 1.041 nan 8.190 nan 0.000 0.433 369 G N 1.173 109.789 108.800 -0.307 0.000 2.249 369 G HA2 0.038 4.000 3.960 0.003 0.000 0.273 369 G HA3 0.038 4.000 3.960 0.003 0.000 0.273 369 G C 0.441 175.124 174.900 -0.362 0.000 1.036 369 G CA 0.374 45.271 45.100 -0.338 0.000 0.824 369 G HN 2.295 nan 8.290 nan 0.000 0.504 370 A N -0.382 122.213 122.820 -0.374 0.000 3.215 370 A HA 0.734 5.056 4.320 0.003 0.000 0.269 370 A C 1.008 178.275 177.584 -0.529 0.000 1.517 370 A CA -0.136 51.664 52.037 -0.394 0.000 1.221 370 A CB -0.340 18.443 19.000 -0.361 0.000 1.160 370 A HN 0.459 nan 8.150 nan 0.000 0.620 371 F N -0.346 119.499 119.950 -0.175 0.000 2.367 371 F HA 0.139 4.668 4.527 0.003 0.000 0.298 371 F C 0.849 176.539 175.800 -0.183 0.000 1.094 371 F CA 0.350 58.233 58.000 -0.195 0.000 1.409 371 F CB -0.198 38.680 39.000 -0.204 0.000 1.064 371 F HN 0.403 nan 8.300 nan 0.000 0.528 372 F N 0.109 120.098 119.950 0.065 0.000 2.506 372 F HA 0.117 4.646 4.527 0.003 0.000 0.351 372 F C 0.745 176.568 175.800 0.039 0.000 1.136 372 F CA -0.988 57.015 58.000 0.005 0.000 1.298 372 F CB 0.145 39.252 39.000 0.178 0.000 1.145 372 F HN -0.276 nan 8.300 nan 0.000 0.593 373 F N 1.528 121.616 119.950 0.231 0.000 2.628 373 F HA -0.099 4.430 4.527 0.003 0.000 0.346 373 F C 1.140 177.060 175.800 0.199 0.000 1.188 373 F CA 0.136 58.228 58.000 0.154 0.000 1.376 373 F CB 0.220 39.337 39.000 0.195 0.000 1.104 373 F HN 0.579 nan 8.300 nan 0.000 0.616 374 Q N -1.585 118.357 119.800 0.237 0.000 2.424 374 Q HA -0.200 4.141 4.340 0.003 0.000 0.234 374 Q C 0.332 176.230 176.000 -0.170 0.000 0.748 374 Q CA 0.869 56.641 55.803 -0.052 0.000 1.286 374 Q CB -2.233 26.424 28.738 -0.135 0.000 1.494 374 Q HN 0.782 nan 8.270 nan 0.000 0.683 375 T N -0.276 114.247 114.554 -0.051 0.000 3.783 375 T HA 0.312 4.664 4.350 0.003 0.000 0.262 375 T C 0.066 174.668 174.700 -0.164 0.000 1.381 375 T CA -0.189 61.846 62.100 -0.108 0.000 1.155 375 T CB -0.215 68.617 68.868 -0.061 0.000 1.256 375 T HN 0.222 nan 8.240 nan 0.000 0.807 376 D N 0.942 121.219 120.400 -0.205 0.000 2.360 376 D HA 0.399 5.041 4.640 0.003 0.000 0.242 376 D C 1.011 177.150 176.300 -0.268 0.000 1.184 376 D CA -0.535 53.347 54.000 -0.197 0.000 0.930 376 D CB 0.099 40.787 40.800 -0.186 0.000 1.161 376 D HN 0.353 nan 8.370 nan 0.000 0.447 377 G N -0.892 107.727 108.800 -0.301 0.000 2.683 377 G HA2 0.399 4.360 3.960 0.003 0.000 0.260 377 G HA3 0.399 4.360 3.960 0.003 0.000 0.260 377 G C -2.246 172.368 174.900 -0.475 0.000 1.238 377 G CA -0.996 43.761 45.100 -0.570 0.000 0.934 377 G HN 0.530 nan 8.290 nan 0.000 0.534 378 P HA 0.151 nan 4.420 nan 0.000 0.272 378 P C -0.248 176.850 177.300 -0.337 0.000 1.230 378 P CA -0.348 62.548 63.100 -0.340 0.000 0.788 378 P CB 0.884 32.459 31.700 -0.208 0.000 0.949 379 E N 1.140 121.084 120.200 -0.426 0.000 2.418 379 E HA 0.102 4.454 4.350 0.003 0.000 0.261 379 E C 0.139 176.428 176.600 -0.517 0.000 1.070 379 E CA 0.143 56.204 56.400 -0.565 0.000 0.931 379 E CB 0.286 29.387 29.700 -0.997 0.000 0.954 379 E HN 0.327 nan 8.360 nan 0.000 0.439 380 I N 3.553 123.900 120.570 -0.371 0.000 2.692 380 I HA 0.149 4.321 4.170 0.003 0.000 0.285 380 I C 0.039 176.114 176.117 -0.069 0.000 1.191 380 I CA -0.559 60.648 61.300 -0.153 0.000 1.128 380 I CB -1.169 36.807 38.000 -0.039 0.000 1.585 380 I HN 0.346 nan 8.210 nan 0.000 0.558 381 Y N 4.328 124.577 120.300 -0.086 0.000 2.385 381 Y HA 0.096 4.648 4.550 0.003 0.000 0.346 381 Y C -1.453 174.323 175.900 -0.207 0.000 1.270 381 Y CA -1.607 56.270 58.100 -0.372 0.000 1.472 381 Y CB -0.020 38.240 38.460 -0.333 0.000 1.354 381 Y HN 0.298 nan 8.280 nan 0.000 0.611 382 P HA -0.153 nan 4.420 nan 0.000 0.261 382 P C -0.406 176.901 177.300 0.012 0.000 1.173 382 P CA 0.786 63.907 63.100 0.035 0.000 0.760 382 P CB 0.217 31.922 31.700 0.008 0.000 0.783 383 N N -1.000 117.716 118.700 0.026 0.000 2.753 383 N HA -0.155 4.587 4.740 0.003 0.000 0.251 383 N C -0.439 175.059 175.510 -0.020 0.000 1.097 383 N CA 0.964 54.013 53.050 -0.001 0.000 0.786 383 N CB -1.799 36.677 38.487 -0.017 0.000 1.137 383 N HN 0.339 nan 8.380 nan 0.000 0.566 384 S N 0.089 115.784 115.700 -0.008 0.000 2.573 384 S HA 0.320 4.792 4.470 0.003 0.000 0.277 384 S C 0.683 175.271 174.600 -0.020 0.000 1.346 384 S CA -0.251 57.934 58.200 -0.026 0.000 1.034 384 S CB 1.792 64.990 63.200 -0.003 0.000 0.879 384 S HN 0.119 nan 8.310 nan 0.000 0.528 385 V N 3.493 123.387 119.914 -0.034 0.000 2.409 385 V HA 0.394 4.516 4.120 0.003 0.000 0.290 385 V C -0.569 175.532 176.094 0.013 0.000 1.017 385 V CA -0.585 61.719 62.300 0.007 0.000 0.841 385 V CB 1.507 33.344 31.823 0.024 0.000 1.003 385 V HN 0.640 nan 8.190 nan 0.000 0.426 386 V N 5.509 125.444 119.914 0.034 0.000 2.448 386 V HA 0.681 4.803 4.120 0.003 0.000 0.295 386 V C -0.605 175.521 176.094 0.054 0.000 1.025 386 V CA -0.563 61.744 62.300 0.011 0.000 0.859 386 V CB 1.682 33.535 31.823 0.050 0.000 0.988 386 V HN 1.173 nan 8.190 nan 0.000 0.431 387 H N 1.202 120.245 119.070 -0.045 0.000 2.974 387 H HA 0.614 5.172 4.556 0.003 0.000 0.366 387 H C -1.028 174.269 175.328 -0.051 0.000 1.155 387 H CA -0.955 55.059 56.048 -0.056 0.000 1.186 387 H CB 1.557 31.297 29.762 -0.037 0.000 1.799 387 H HN 0.534 nan 8.280 nan 0.000 0.541 388 D N 1.005 121.421 120.400 0.027 0.000 3.026 388 D HA -0.105 4.537 4.640 0.003 0.000 0.248 388 D C -0.456 175.795 176.300 -0.082 0.000 1.100 388 D CA 1.154 55.160 54.000 0.010 0.000 0.855 388 D CB -1.095 39.772 40.800 0.112 0.000 1.011 388 D HN 0.629 nan 8.370 nan 0.000 0.423 389 V N -2.031 117.762 119.914 -0.202 0.000 3.001 389 V HA 0.896 5.018 4.120 0.003 0.000 0.314 389 V C -0.612 175.279 176.094 -0.339 0.000 1.099 389 V CA -1.069 61.016 62.300 -0.359 0.000 0.989 389 V CB 2.938 34.303 31.823 -0.763 0.000 1.040 389 V HN 0.141 nan 8.190 nan 0.000 0.434 390 F N 3.620 123.302 119.950 -0.447 0.000 2.671 390 F HA 0.755 5.285 4.527 0.004 0.000 0.332 390 F C -1.844 173.958 175.800 0.004 0.000 1.189 390 F CA -0.464 57.428 58.000 -0.179 0.000 0.988 390 F CB 1.387 40.402 39.000 0.025 0.000 1.258 390 F HN 0.628 nan 8.300 nan 0.000 0.471 391 W N 6.490 127.742 121.300 -0.080 0.000 2.619 391 W HA 0.269 4.931 4.660 0.003 0.000 0.327 391 W C -0.600 175.904 176.519 -0.025 0.000 1.027 391 W CA -1.136 56.183 57.345 -0.045 0.000 1.233 391 W CB 0.665 30.084 29.460 -0.069 0.000 1.370 391 W HN 0.509 nan 8.180 nan 0.000 0.453 392 H N 3.369 122.507 119.070 0.113 0.000 2.620 392 H HA 0.463 5.021 4.556 0.003 0.000 0.313 392 H C -0.665 174.618 175.328 -0.074 0.000 1.075 392 H CA -0.042 55.981 56.048 -0.040 0.000 1.397 392 H CB 1.347 30.954 29.762 -0.258 0.000 1.446 392 H HN 0.294 nan 8.280 nan 0.000 0.493 393 V N 2.899 122.636 119.914 -0.295 0.000 2.971 393 V HA 0.277 4.399 4.120 0.003 0.000 0.309 393 V C -0.547 175.374 176.094 -0.287 0.000 1.130 393 V CA -1.091 61.053 62.300 -0.260 0.000 0.964 393 V CB 2.018 33.795 31.823 -0.076 0.000 1.029 393 V HN 0.754 nan 8.190 nan 0.000 0.427 394 N N 1.981 120.547 118.700 -0.224 0.000 2.480 394 N HA 0.390 5.132 4.740 0.003 0.000 0.281 394 N C -0.680 174.828 175.510 -0.003 0.000 1.381 394 N CA 0.082 53.050 53.050 -0.137 0.000 0.903 394 N CB 0.124 38.513 38.487 -0.163 0.000 1.274 394 N HN 0.980 nan 8.380 nan 0.000 0.505 395 D N -1.233 119.153 120.400 -0.022 0.000 2.970 395 D HA 0.084 4.725 4.640 0.003 0.000 0.344 395 D C -1.301 175.005 176.300 0.011 0.000 1.365 395 D CA -0.355 53.652 54.000 0.011 0.000 0.910 395 D CB 0.991 41.778 40.800 -0.022 0.000 1.445 395 D HN -0.064 nan 8.370 nan 0.000 0.532 396 D N 0.696 121.113 120.400 0.028 0.000 2.658 396 D HA 0.142 4.784 4.640 0.003 0.000 0.230 396 D C 0.531 176.830 176.300 -0.001 0.000 1.118 396 D CA 0.426 54.444 54.000 0.032 0.000 0.848 396 D CB 1.061 41.878 40.800 0.029 0.000 1.160 396 D HN 0.407 nan 8.370 nan 0.000 0.497 397 A N 3.641 126.488 122.820 0.045 0.000 1.861 397 A HA 0.073 4.395 4.320 0.003 0.000 0.212 397 A C 1.088 178.759 177.584 0.146 0.000 1.199 397 A CA 0.545 52.649 52.037 0.110 0.000 0.613 397 A CB 0.245 19.341 19.000 0.160 0.000 0.846 397 A HN 0.594 nan 8.150 nan 0.000 0.446 398 I N 0.552 121.177 120.570 0.092 0.000 2.448 398 I HA 0.212 4.384 4.170 0.003 0.000 0.281 398 I C -0.981 175.098 176.117 -0.063 0.000 1.027 398 I CA -0.290 61.055 61.300 0.075 0.000 1.111 398 I CB 1.862 39.917 38.000 0.091 0.000 1.236 398 I HN 0.049 nan 8.210 nan 0.000 0.452 399 K N 6.786 127.065 120.400 -0.201 0.000 2.257 399 K HA 0.411 4.733 4.320 0.003 0.000 0.270 399 K C -0.507 175.794 176.600 -0.498 0.000 1.098 399 K CA -0.590 55.392 56.287 -0.508 0.000 0.943 399 K CB 0.916 32.926 32.500 -0.816 0.000 1.316 399 K HN 0.435 nan 8.250 nan 0.000 0.447 400 I N 4.539 124.964 120.570 -0.242 0.000 2.260 400 I HA 0.005 4.177 4.170 0.003 0.000 0.297 400 I C 0.323 176.496 176.117 0.093 0.000 1.143 400 I CA 0.365 61.635 61.300 -0.050 0.000 1.271 400 I CB -0.832 37.192 38.000 0.041 0.000 1.461 400 I HN 0.674 nan 8.210 nan 0.000 0.530 401 Y N 4.254 124.497 120.300 -0.094 0.000 2.445 401 Y HA 0.202 4.754 4.550 0.003 0.000 0.247 401 Y C -0.088 175.469 175.900 -0.572 0.000 1.129 401 Y CA -0.474 57.404 58.100 -0.370 0.000 1.251 401 Y CB 0.843 38.956 38.460 -0.579 0.000 1.176 401 Y HN 0.316 nan 8.280 nan 0.000 0.522 402 Y N -0.826 119.574 120.300 0.168 0.000 2.553 402 Y HA 0.369 4.921 4.550 0.003 0.000 0.347 402 Y C 0.088 176.030 175.900 0.071 0.000 1.019 402 Y CA -1.390 56.781 58.100 0.119 0.000 1.032 402 Y CB 1.556 40.098 38.460 0.136 0.000 1.284 402 Y HN -0.307 nan 8.280 nan 0.000 0.466 403 S N 0.369 116.199 115.700 0.217 0.000 2.603 403 S HA 0.437 4.909 4.470 0.003 0.000 0.268 403 S C 0.975 175.632 174.600 0.094 0.000 1.317 403 S CA 0.353 58.623 58.200 0.117 0.000 1.012 403 S CB 0.802 64.052 63.200 0.084 0.000 0.926 403 S HN 1.218 nan 8.310 nan 0.000 0.539 404 G N 0.061 108.892 108.800 0.052 0.000 2.176 404 G HA2 -0.156 3.806 3.960 0.003 0.000 0.253 404 G HA3 -0.156 3.806 3.960 0.003 0.000 0.253 404 G C 0.158 175.071 174.900 0.022 0.000 0.979 404 G CA -0.020 45.097 45.100 0.029 0.000 0.641 404 G HN 1.146 nan 8.290 nan 0.000 0.530 405 A N 0.023 122.863 122.820 0.035 0.000 2.340 405 A HA 0.820 5.142 4.320 0.003 0.000 0.268 405 A C 0.652 178.240 177.584 0.007 0.000 1.100 405 A CA 0.873 52.926 52.037 0.026 0.000 0.803 405 A CB 0.833 19.862 19.000 0.048 0.000 1.043 405 A HN 1.965 nan 8.150 nan 0.000 0.488 406 S N 0.368 116.070 115.700 0.003 0.000 2.521 406 S HA 0.699 5.171 4.470 0.003 0.000 0.295 406 S C -1.020 173.582 174.600 0.003 0.000 1.098 406 S CA -0.602 57.595 58.200 -0.006 0.000 0.999 406 S CB 1.476 64.670 63.200 -0.011 0.000 1.034 406 S HN 0.900 nan 8.310 nan 0.000 0.483 407 V N 2.562 122.470 119.914 -0.011 0.000 2.525 407 V HA 0.713 4.835 4.120 0.003 0.000 0.299 407 V C -0.515 175.557 176.094 -0.037 0.000 1.034 407 V CA -0.435 61.855 62.300 -0.018 0.000 0.863 407 V CB 1.688 33.496 31.823 -0.025 0.000 0.999 407 V HN 1.022 nan 8.190 nan 0.000 0.423 408 S N 3.863 119.548 115.700 -0.025 0.000 2.547 408 S HA 0.672 5.144 4.470 0.003 0.000 0.281 408 S C -0.258 174.323 174.600 -0.032 0.000 1.118 408 S CA -0.978 57.206 58.200 -0.026 0.000 0.947 408 S CB 1.834 65.030 63.200 -0.006 0.000 1.053 408 S HN 0.756 nan 8.310 nan 0.000 0.482 409 R N 0.215 120.684 120.500 -0.051 0.000 3.152 409 R HA -0.187 4.155 4.340 0.003 0.000 0.252 409 R C -0.350 175.886 176.300 -0.107 0.000 0.930 409 R CA 0.655 56.726 56.100 -0.048 0.000 0.642 409 R CB -1.857 28.445 30.300 0.004 0.000 1.205 409 R HN 0.681 nan 8.270 nan 0.000 0.452 410 A N 0.899 123.617 122.820 -0.170 0.000 2.288 410 A HA 0.580 4.902 4.320 0.003 0.000 0.320 410 A C 0.159 177.595 177.584 -0.247 0.000 1.217 410 A CA -0.301 51.555 52.037 -0.302 0.000 0.840 410 A CB 1.423 20.198 19.000 -0.375 0.000 1.179 410 A HN 0.178 nan 8.150 nan 0.000 0.504 411 T N 3.912 118.301 114.554 -0.276 0.000 2.771 411 T HA 0.531 4.883 4.350 0.003 0.000 0.281 411 T C -0.348 174.110 174.700 -0.403 0.000 0.982 411 T CA -0.133 61.801 62.100 -0.277 0.000 0.978 411 T CB 0.357 69.120 68.868 -0.174 0.000 0.930 411 T HN 0.426 nan 8.240 nan 0.000 0.447 412 I N 2.866 123.272 120.570 -0.273 0.000 2.465 412 I HA 0.353 4.525 4.170 0.003 0.000 0.291 412 I C -0.831 175.254 176.117 -0.054 0.000 1.014 412 I CA -1.100 60.118 61.300 -0.137 0.000 1.093 412 I CB 1.842 39.821 38.000 -0.035 0.000 1.267 412 I HN 0.713 nan 8.210 nan 0.000 0.431 413 W N 7.340 128.551 121.300 -0.148 0.000 2.299 413 W HA 0.406 5.069 4.660 0.004 0.000 0.319 413 W C -0.393 176.171 176.519 0.074 0.000 1.008 413 W CA -1.297 56.060 57.345 0.019 0.000 1.384 413 W CB 1.323 30.834 29.460 0.084 0.000 1.220 413 W HN 0.485 nan 8.180 nan 0.000 0.402 414 K N 4.018 124.615 120.400 0.327 0.000 2.143 414 K HA 0.422 4.744 4.320 0.003 0.000 0.272 414 K C 0.114 176.798 176.600 0.139 0.000 1.001 414 K CA -0.049 56.319 56.287 0.136 0.000 0.915 414 K CB 1.001 33.509 32.500 0.013 0.000 1.047 414 K HN 0.369 nan 8.250 nan 0.000 0.458 415 C N 1.608 120.898 119.300 -0.017 0.000 6.995 415 C HA 0.223 4.685 4.460 0.003 0.000 0.211 415 C C 1.020 175.933 174.990 -0.130 0.000 1.818 415 C CA 0.331 59.343 59.018 -0.009 0.000 1.720 415 C CB -1.035 26.669 27.740 -0.060 0.000 1.882 415 C HN 1.064 nan 8.230 nan 0.000 0.332 416 H N -0.631 118.357 119.070 -0.136 0.000 2.904 416 H HA 0.425 4.982 4.556 0.003 0.000 0.242 416 H C -0.485 174.932 175.328 0.149 0.000 1.193 416 H CA -0.165 55.789 56.048 -0.156 0.000 0.946 416 H CB -0.582 29.184 29.762 0.005 0.000 2.135 416 H HN 0.431 nan 8.280 nan 0.000 0.652 417 N N 1.372 120.109 118.700 0.061 0.000 2.425 417 N HA 0.214 4.956 4.740 0.003 0.000 0.289 417 N C -1.690 173.956 175.510 0.227 0.000 1.074 417 N CA -0.210 52.975 53.050 0.224 0.000 0.905 417 N CB 1.586 40.182 38.487 0.182 0.000 1.586 417 N HN 0.302 nan 8.380 nan 0.000 0.490 418 D N 0.712 121.271 120.400 0.264 0.000 10.852 418 D HA -0.105 4.537 4.640 0.003 0.000 0.361 418 D C -2.622 173.813 176.300 0.225 0.000 3.101 418 D CA 0.109 54.222 54.000 0.189 0.000 2.575 418 D CB -0.109 40.781 40.800 0.149 0.000 1.168 418 D HN 0.367 nan 8.370 nan 0.000 0.953 419 P HA 0.236 nan 4.420 nan 0.000 0.282 419 P C 1.076 178.448 177.300 0.120 0.000 1.287 419 P CA -0.551 62.621 63.100 0.119 0.000 0.792 419 P CB 0.562 32.282 31.700 0.034 0.000 1.163 420 I N -0.610 120.017 120.570 0.095 0.000 2.162 420 I HA -0.021 4.151 4.170 0.003 0.000 0.238 420 I C 1.448 177.592 176.117 0.045 0.000 1.076 420 I CA 1.260 62.599 61.300 0.066 0.000 1.353 420 I CB -0.912 37.107 38.000 0.032 0.000 1.063 420 I HN 0.206 nan 8.210 nan 0.000 0.408 421 I N 1.106 121.692 120.570 0.026 0.000 2.336 421 I HA 0.205 4.376 4.170 0.003 0.000 0.292 421 I C -0.019 176.121 176.117 0.037 0.000 0.991 421 I CA -0.389 60.927 61.300 0.028 0.000 1.227 421 I CB 1.451 39.470 38.000 0.031 0.000 1.366 421 I HN 0.122 nan 8.210 nan 0.000 0.466 422 Q N 6.677 126.496 119.800 0.032 0.000 2.340 422 Q HA 0.571 4.913 4.340 0.003 0.000 0.268 422 Q C -0.668 175.414 176.000 0.137 0.000 1.031 422 Q CA -0.326 55.516 55.803 0.066 0.000 0.804 422 Q CB 1.855 30.649 28.738 0.094 0.000 1.286 422 Q HN 0.696 nan 8.270 nan 0.000 0.448 423 M N 1.934 121.643 119.600 0.181 0.000 2.268 423 M HA 0.414 4.896 4.480 0.003 0.000 0.355 423 M C 0.597 176.997 176.300 0.168 0.000 0.938 423 M CA -0.202 55.249 55.300 0.253 0.000 1.025 423 M CB 1.523 34.267 32.600 0.241 0.000 1.773 423 M HN 0.629 nan 8.290 nan 0.000 0.613 424 G N -0.945 107.882 108.800 0.045 0.000 2.849 424 G HA2 0.416 4.378 3.960 0.003 0.000 0.174 424 G HA3 0.416 4.378 3.960 0.003 0.000 0.174 424 G C -0.360 174.495 174.900 -0.075 0.000 1.370 424 G CA -0.108 44.904 45.100 -0.147 0.000 1.040 424 G HN 0.655 nan 8.290 nan 0.000 0.582 425 W N -2.124 119.162 121.300 -0.024 0.000 0.689 425 W HA -0.248 4.415 4.660 0.005 0.000 0.219 425 W C 0.886 177.512 176.519 0.179 0.000 0.925 425 W CA 1.201 58.581 57.345 0.059 0.000 0.342 425 W CB -1.131 28.331 29.460 0.004 0.000 1.921 425 W HN 0.824 nan 8.180 nan 0.000 1.239 426 T N -0.829 113.870 114.554 0.242 0.000 2.787 426 T HA 0.550 4.902 4.350 0.003 0.000 0.297 426 T C -0.326 174.439 174.700 0.108 0.000 1.221 426 T CA 0.011 62.295 62.100 0.308 0.000 1.006 426 T CB 1.454 70.507 68.868 0.309 0.000 1.328 426 T HN -0.080 nan 8.240 nan 0.000 0.509 427 S N 1.756 117.583 115.700 0.211 0.000 2.549 427 S HA 0.507 4.978 4.470 0.003 0.000 0.279 427 S C -0.202 174.410 174.600 0.020 0.000 1.321 427 S CA -0.279 57.974 58.200 0.089 0.000 1.054 427 S CB 0.060 63.354 63.200 0.156 0.000 0.899 427 S HN 0.477 nan 8.310 nan 0.000 0.497 428 R N 1.534 122.011 120.500 -0.039 0.000 2.725 428 R HA 0.412 4.753 4.340 0.003 0.000 0.277 428 R C -1.673 174.590 176.300 -0.061 0.000 0.987 428 R CA -0.808 55.257 56.100 -0.057 0.000 0.901 428 R CB 1.799 32.053 30.300 -0.078 0.000 1.207 428 R HN 0.499 nan 8.270 nan 0.000 0.463 429 D N 2.203 122.581 120.400 -0.037 0.000 2.440 429 D HA 0.468 5.110 4.640 0.003 0.000 0.239 429 D C -1.042 175.253 176.300 -0.009 0.000 1.084 429 D CA -0.262 53.722 54.000 -0.028 0.000 0.843 429 D CB 0.869 41.664 40.800 -0.009 0.000 1.097 429 D HN 0.312 nan 8.370 nan 0.000 0.531 430 I N 2.582 123.145 120.570 -0.011 0.000 2.619 430 I HA 0.472 4.643 4.170 0.003 0.000 0.292 430 I C -0.457 175.668 176.117 0.013 0.000 1.100 430 I CA -0.582 60.727 61.300 0.015 0.000 1.043 430 I CB 2.051 40.066 38.000 0.025 0.000 1.239 430 I HN 0.419 nan 8.210 nan 0.000 0.420 431 S N 2.352 118.064 115.700 0.020 0.000 2.656 431 S HA 0.788 5.260 4.470 0.003 0.000 0.273 431 S C 0.274 174.878 174.600 0.006 0.000 1.168 431 S CA -0.112 58.092 58.200 0.007 0.000 0.817 431 S CB 1.752 64.956 63.200 0.007 0.000 1.146 431 S HN 1.433 nan 8.310 nan 0.000 0.475 432 G N -0.513 108.280 108.800 -0.010 0.000 2.153 432 G HA2 -0.186 3.776 3.960 0.003 0.000 0.252 432 G HA3 -0.186 3.776 3.960 0.003 0.000 0.252 432 G C -0.073 174.817 174.900 -0.017 0.000 0.994 432 G CA 0.143 45.236 45.100 -0.012 0.000 0.698 432 G HN 1.277 nan 8.290 nan 0.000 0.521 433 V N 0.676 120.571 119.914 -0.031 0.000 2.481 433 V HA 0.715 4.837 4.120 0.003 0.000 0.286 433 V C 0.512 176.563 176.094 -0.071 0.000 1.042 433 V CA 0.170 62.448 62.300 -0.036 0.000 0.928 433 V CB 1.809 33.615 31.823 -0.028 0.000 0.986 433 V HN 0.292 nan 8.190 nan 0.000 0.462 434 T N 6.077 120.596 114.554 -0.058 0.000 2.879 434 T HA 0.637 4.989 4.350 0.003 0.000 0.290 434 T C -0.552 174.109 174.700 -0.064 0.000 0.993 434 T CA -0.180 61.877 62.100 -0.072 0.000 0.975 434 T CB 1.068 69.902 68.868 -0.057 0.000 0.981 434 T HN 0.385 nan 8.240 nan 0.000 0.439 435 I N 2.977 123.499 120.570 -0.080 0.000 2.389 435 I HA 0.482 4.654 4.170 0.003 0.000 0.288 435 I C -0.632 175.438 176.117 -0.079 0.000 0.999 435 I CA -0.594 60.662 61.300 -0.073 0.000 1.129 435 I CB 1.738 39.694 38.000 -0.074 0.000 1.288 435 I HN 0.568 nan 8.210 nan 0.000 0.444 436 D N 3.597 123.954 120.400 -0.071 0.000 2.738 436 D HA 0.429 5.071 4.640 0.003 0.000 0.237 436 D C -0.859 175.398 176.300 -0.072 0.000 1.123 436 D CA 0.043 54.001 54.000 -0.070 0.000 0.856 436 D CB 1.559 42.323 40.800 -0.059 0.000 1.552 436 D HN 0.519 nan 8.370 nan 0.000 0.480 437 T N 1.908 116.417 114.554 -0.075 0.000 3.389 437 T HA -0.183 4.169 4.350 0.003 0.000 0.422 437 T C -0.827 173.818 174.700 -0.092 0.000 0.767 437 T CA 0.272 62.327 62.100 -0.075 0.000 2.199 437 T CB -1.161 67.673 68.868 -0.056 0.000 1.700 437 T HN 0.385 nan 8.240 nan 0.000 0.698 438 L N 3.018 124.174 121.223 -0.111 0.000 2.319 438 L HA 0.621 4.963 4.340 0.003 0.000 0.281 438 L C -0.679 176.107 176.870 -0.141 0.000 1.005 438 L CA -0.394 54.368 54.840 -0.130 0.000 0.828 438 L CB 1.276 43.257 42.059 -0.131 0.000 1.227 438 L HN 0.306 nan 8.230 nan 0.000 0.415 439 N N 4.773 123.389 118.700 -0.140 0.000 2.476 439 N HA 0.332 5.074 4.740 0.003 0.000 0.257 439 N C -1.212 174.200 175.510 -0.164 0.000 0.970 439 N CA -0.332 52.630 53.050 -0.146 0.000 0.938 439 N CB 2.399 40.820 38.487 -0.110 0.000 1.144 439 N HN 0.367 nan 8.380 nan 0.000 0.500 440 V N 4.462 124.273 119.914 -0.172 0.000 2.320 440 V HA 0.180 4.302 4.120 0.003 0.000 0.265 440 V C 1.743 177.715 176.094 -0.204 0.000 1.048 440 V CA -0.436 61.772 62.300 -0.154 0.000 0.865 440 V CB 0.182 31.939 31.823 -0.111 0.000 1.043 440 V HN 0.615 nan 8.190 nan 0.000 0.474 441 I N 0.329 120.735 120.570 -0.273 0.000 3.228 441 I HA 0.330 4.502 4.170 0.003 0.000 0.279 441 I C 0.565 176.199 176.117 -0.804 0.000 1.221 441 I CA 0.804 61.824 61.300 -0.467 0.000 1.458 441 I CB 0.190 37.925 38.000 -0.440 0.000 1.105 441 I HN 0.488 nan 8.210 nan 0.000 0.445 442 H N 1.246 120.089 119.070 -0.379 0.000 3.046 442 H HA 0.511 5.069 4.556 0.003 0.000 0.363 442 H C -0.884 174.370 175.328 -0.123 0.000 1.203 442 H CA -0.187 55.663 56.048 -0.330 0.000 1.169 442 H CB 2.300 31.649 29.762 -0.688 0.000 1.851 442 H HN 0.199 nan 8.280 nan 0.000 0.546 443 T N -0.860 113.754 114.554 0.100 0.000 2.883 443 T HA 0.633 4.985 4.350 0.003 0.000 0.301 443 T C -0.216 174.512 174.700 0.047 0.000 1.158 443 T CA -1.199 60.920 62.100 0.033 0.000 1.007 443 T CB 2.363 71.276 68.868 0.074 0.000 1.186 443 T HN 0.815 nan 8.240 nan 0.000 0.499 444 R N 0.730 121.186 120.500 -0.074 0.000 2.583 444 R HA 0.252 4.593 4.340 0.003 0.000 0.282 444 R C -1.456 174.901 176.300 0.095 0.000 1.288 444 R CA -0.798 55.316 56.100 0.023 0.000 1.415 444 R CB -0.769 29.406 30.300 -0.208 0.000 1.331 444 R HN 0.603 nan 8.270 nan 0.000 0.719 445 Y N 1.097 121.508 120.300 0.185 0.000 2.721 445 Y HA 0.014 4.566 4.550 0.004 0.000 0.329 445 Y C 1.783 177.724 175.900 0.068 0.000 1.211 445 Y CA 0.066 58.258 58.100 0.154 0.000 1.512 445 Y CB 0.627 39.162 38.460 0.124 0.000 1.249 445 Y HN 0.247 nan 8.280 nan 0.000 0.549 446 I N 1.965 122.575 120.570 0.066 0.000 2.333 446 I HA -0.125 4.047 4.170 0.003 0.000 0.246 446 I C 0.479 176.602 176.117 0.011 0.000 1.106 446 I CA 1.239 62.441 61.300 -0.162 0.000 1.411 446 I CB -0.085 37.640 38.000 -0.457 0.000 1.082 446 I HN 0.464 nan 8.210 nan 0.000 0.420 447 K N 0.255 120.710 120.400 0.092 0.000 2.259 447 K HA 0.350 4.671 4.320 0.003 0.000 0.249 447 K C -0.492 176.150 176.600 0.070 0.000 0.942 447 K CA -0.497 55.836 56.287 0.077 0.000 0.816 447 K CB 2.300 34.846 32.500 0.077 0.000 1.155 447 K HN -0.165 nan 8.250 nan 0.000 0.428 448 S N 1.951 117.668 115.700 0.028 0.000 2.439 448 S HA 0.149 4.621 4.470 0.003 0.000 0.282 448 S C -0.875 173.712 174.600 -0.020 0.000 1.170 448 S CA -0.345 57.844 58.200 -0.019 0.000 1.054 448 S CB 0.075 63.268 63.200 -0.011 0.000 0.956 448 S HN 0.470 nan 8.310 nan 0.000 0.490 449 E N 2.016 122.185 120.200 -0.052 0.000 2.367 449 E HA 0.357 4.709 4.350 0.003 0.000 0.273 449 E C 0.175 176.739 176.600 -0.061 0.000 0.903 449 E CA -0.678 55.703 56.400 -0.032 0.000 0.764 449 E CB 1.963 31.666 29.700 0.006 0.000 1.252 449 E HN 0.665 nan 8.360 nan 0.000 0.446 450 T N -3.009 111.516 114.554 -0.049 0.000 2.964 450 T HA 0.068 4.420 4.350 0.003 0.000 0.249 450 T C 1.664 176.305 174.700 -0.098 0.000 1.000 450 T CA 0.078 62.132 62.100 -0.075 0.000 0.992 450 T CB -0.005 68.823 68.868 -0.065 0.000 1.087 450 T HN 0.175 nan 8.240 nan 0.000 0.489 451 V N 2.755 122.635 119.914 -0.056 0.000 2.343 451 V HA 0.016 4.138 4.120 0.003 0.000 0.247 451 V C 1.518 177.563 176.094 -0.082 0.000 1.051 451 V CA 1.445 63.711 62.300 -0.055 0.000 1.036 451 V CB -0.517 31.336 31.823 0.051 0.000 0.654 451 V HN 0.679 nan 8.190 nan 0.000 0.451 452 V N -0.844 119.069 119.914 -0.001 0.000 2.239 452 V HA 0.475 4.597 4.120 0.003 0.000 0.267 452 V C -2.705 173.382 176.094 -0.012 0.000 1.056 452 V CA -2.674 59.645 62.300 0.032 0.000 0.830 452 V CB 0.433 32.319 31.823 0.105 0.000 1.090 452 V HN 0.198 nan 8.190 nan 0.000 0.459 453 P HA 0.150 nan 4.420 nan 0.000 0.266 453 P C 0.353 177.573 177.300 -0.132 0.000 1.215 453 P CA 0.498 63.536 63.100 -0.103 0.000 0.763 453 P CB 0.847 32.476 31.700 -0.118 0.000 0.806 454 S N 2.480 118.016 115.700 -0.273 0.000 3.483 454 S HA 0.634 5.106 4.470 0.003 0.000 0.274 454 S C 0.078 174.383 174.600 -0.492 0.000 1.289 454 S CA -0.525 57.242 58.200 -0.722 0.000 0.938 454 S CB -0.607 62.044 63.200 -0.915 0.000 1.453 454 S HN 0.640 nan 8.310 nan 0.000 0.494 455 A N 2.999 125.665 122.820 -0.255 0.000 2.601 455 A HA 0.636 4.958 4.320 0.003 0.000 0.291 455 A C 0.526 178.099 177.584 -0.017 0.000 1.075 455 A CA -0.818 51.156 52.037 -0.106 0.000 0.671 455 A CB 0.246 19.190 19.000 -0.093 0.000 1.277 455 A HN 0.380 nan 8.150 nan 0.000 0.417 456 I N 0.122 120.675 120.570 -0.029 0.000 2.193 456 I HA 0.022 4.193 4.170 0.003 0.000 0.240 456 I C 0.773 176.838 176.117 -0.086 0.000 1.084 456 I CA 1.770 63.041 61.300 -0.048 0.000 1.365 456 I CB -0.796 37.145 38.000 -0.099 0.000 1.064 456 I HN 0.469 nan 8.210 nan 0.000 0.410 457 I N 0.783 121.258 120.570 -0.158 0.000 2.354 457 I HA 0.463 4.635 4.170 0.003 0.000 0.286 457 I C 0.203 176.298 176.117 -0.037 0.000 1.007 457 I CA -0.292 60.952 61.300 -0.093 0.000 1.167 457 I CB 1.455 39.354 38.000 -0.170 0.000 1.320 457 I HN 0.021 nan 8.210 nan 0.000 0.458 458 G N 4.378 113.171 108.800 -0.013 0.000 2.519 458 G HA2 0.825 4.787 3.960 0.003 0.000 0.307 458 G HA3 0.825 4.787 3.960 0.003 0.000 0.307 458 G C -1.550 173.319 174.900 -0.052 0.000 1.266 458 G CA -0.694 44.378 45.100 -0.045 0.000 0.970 458 G HN 0.675 nan 8.290 nan 0.000 0.481 459 A N 1.037 123.785 122.820 -0.120 0.000 2.446 459 A HA 0.735 5.057 4.320 0.003 0.000 0.282 459 A C 0.157 177.550 177.584 -0.318 0.000 1.102 459 A CA -0.465 51.474 52.037 -0.163 0.000 0.737 459 A CB 1.153 20.113 19.000 -0.066 0.000 1.212 459 A HN 0.781 nan 8.150 nan 0.000 0.434 460 S N 4.094 119.453 115.700 -0.569 0.000 2.579 460 S HA 0.425 4.896 4.470 0.003 0.000 0.275 460 S C -1.916 172.280 174.600 -0.674 0.000 1.345 460 S CA -0.515 57.162 58.200 -0.871 0.000 1.031 460 S CB 0.279 62.245 63.200 -2.056 0.000 0.892 460 S HN 0.718 nan 8.310 nan 0.000 0.529 461 P HA 0.121 nan 4.420 nan 0.000 0.275 461 P C -0.326 176.925 177.300 -0.082 0.000 1.270 461 P CA -0.507 62.434 63.100 -0.265 0.000 0.791 461 P CB 0.238 31.874 31.700 -0.107 0.000 1.089 462 F N -0.086 119.911 119.950 0.078 0.000 2.623 462 F HA -0.102 4.427 4.527 0.004 0.000 0.383 462 F C 2.099 178.071 175.800 0.287 0.000 1.077 462 F CA -0.043 58.050 58.000 0.155 0.000 1.268 462 F CB -0.085 38.923 39.000 0.013 0.000 1.053 462 F HN 0.378 nan 8.300 nan 0.000 0.571 463 Y N 2.112 122.753 120.300 0.568 0.000 2.421 463 Y HA 0.346 4.897 4.550 0.003 0.000 0.292 463 Y C 0.607 176.622 175.900 0.192 0.000 1.136 463 Y CA 0.188 58.511 58.100 0.370 0.000 1.255 463 Y CB -0.331 38.206 38.460 0.129 0.000 0.991 463 Y HN 0.362 nan 8.280 nan 0.000 0.552 464 A N 0.636 123.107 122.820 -0.581 0.000 2.469 464 A HA 0.665 4.987 4.320 0.003 0.000 0.299 464 A C -0.269 177.134 177.584 -0.302 0.000 1.098 464 A CA -0.419 51.303 52.037 -0.526 0.000 0.737 464 A CB 0.767 19.225 19.000 -0.904 0.000 1.312 464 A HN 0.402 nan 8.150 nan 0.000 0.414 465 S N -0.106 115.476 115.700 -0.196 0.000 2.645 465 S HA 0.545 5.017 4.470 0.003 0.000 0.266 465 S C 0.982 175.464 174.600 -0.196 0.000 1.258 465 S CA 0.332 58.447 58.200 -0.142 0.000 0.990 465 S CB 0.791 63.945 63.200 -0.077 0.000 0.967 465 S HN 2.659 nan 8.310 nan 0.000 0.556 466 G N 0.472 109.176 108.800 -0.161 0.000 2.273 466 G HA2 -0.222 3.740 3.960 0.003 0.000 0.280 466 G HA3 -0.222 3.740 3.960 0.003 0.000 0.280 466 G C -0.266 174.479 174.900 -0.259 0.000 1.047 466 G CA 0.603 45.604 45.100 -0.165 0.000 0.869 466 G HN 0.707 nan 8.290 nan 0.000 0.502 467 M N -0.014 119.337 119.600 -0.415 0.000 2.598 467 M HA 0.620 5.102 4.480 0.003 0.000 0.317 467 M C -0.074 175.892 176.300 -0.556 0.000 1.179 467 M CA -0.624 54.259 55.300 -0.694 0.000 0.936 467 M CB 2.442 34.187 32.600 -1.425 0.000 1.713 467 M HN 0.105 nan 8.290 nan 0.000 0.460 468 S N 1.261 116.743 115.700 -0.363 0.000 2.521 468 S HA 0.623 5.095 4.470 0.003 0.000 0.295 468 S C -2.639 172.103 174.600 0.236 0.000 1.098 468 S CA -1.332 56.865 58.200 -0.004 0.000 0.999 468 S CB 1.303 64.498 63.200 -0.008 0.000 1.034 468 S HN 0.373 nan 8.310 nan 0.000 0.483 469 P HA 0.148 nan 4.420 nan 0.000 0.266 469 P C -0.930 176.472 177.300 0.170 0.000 1.195 469 P CA -0.038 63.243 63.100 0.301 0.000 0.768 469 P CB 0.337 32.140 31.700 0.171 0.000 0.838 470 D N 1.082 121.564 120.400 0.137 0.000 2.427 470 D HA 0.089 4.730 4.640 0.003 0.000 0.226 470 D C 0.793 177.123 176.300 0.049 0.000 1.076 470 D CA -0.238 53.812 54.000 0.082 0.000 0.849 470 D CB 0.659 41.505 40.800 0.077 0.000 1.052 470 D HN 0.208 nan 8.370 nan 0.000 0.515 471 S N 3.300 119.027 115.700 0.045 0.000 2.603 471 S HA -0.019 4.453 4.470 0.003 0.000 0.229 471 S C 1.348 175.962 174.600 0.023 0.000 0.972 471 S CA 0.211 58.432 58.200 0.035 0.000 0.935 471 S CB 0.055 63.279 63.200 0.039 0.000 0.769 471 S HN 0.449 nan 8.310 nan 0.000 0.536 472 R N 0.634 121.147 120.500 0.020 0.000 2.300 472 R HA 0.293 4.635 4.340 0.003 0.000 0.199 472 R C 0.160 176.463 176.300 0.006 0.000 0.920 472 R CA 0.299 56.408 56.100 0.014 0.000 1.046 472 R CB 0.185 30.494 30.300 0.016 0.000 0.984 472 R HN 0.367 nan 8.270 nan 0.000 0.493 473 K N 0.808 121.207 120.400 -0.001 0.000 2.166 473 K HA 0.346 4.668 4.320 0.003 0.000 0.245 473 K C -0.374 176.195 176.600 -0.052 0.000 0.967 473 K CA -0.473 55.802 56.287 -0.021 0.000 0.863 473 K CB 2.018 34.507 32.500 -0.018 0.000 1.107 473 K HN -0.059 nan 8.250 nan 0.000 0.436 474 S N 0.773 116.429 115.700 -0.073 0.000 2.537 474 S HA 0.541 5.013 4.470 0.003 0.000 0.270 474 S C -0.882 173.633 174.600 -0.142 0.000 1.142 474 S CA -0.943 57.185 58.200 -0.120 0.000 0.870 474 S CB 0.831 63.996 63.200 -0.058 0.000 1.112 474 S HN 0.472 nan 8.310 nan 0.000 0.466 475 I N 2.288 122.707 120.570 -0.252 0.000 2.378 475 I HA 0.576 4.748 4.170 0.003 0.000 0.291 475 I C -0.146 176.016 176.117 0.074 0.000 0.992 475 I CA -0.408 60.810 61.300 -0.135 0.000 1.154 475 I CB 1.903 39.745 38.000 -0.262 0.000 1.315 475 I HN 0.747 nan 8.210 nan 0.000 0.448 476 S N 8.556 124.307 115.700 0.086 0.000 2.557 476 S HA 0.882 5.354 4.470 0.003 0.000 0.291 476 S C -0.672 173.888 174.600 -0.066 0.000 1.116 476 S CA -0.603 57.643 58.200 0.076 0.000 0.992 476 S CB 1.086 64.306 63.200 0.034 0.000 1.028 476 S HN 0.675 nan 8.310 nan 0.000 0.484 477 M N 2.231 121.655 119.600 -0.294 0.000 2.880 477 M HA 0.583 5.065 4.480 0.003 0.000 0.269 477 M C -1.730 174.299 176.300 -0.452 0.000 1.248 477 M CA -0.623 54.456 55.300 -0.369 0.000 0.821 477 M CB 1.619 33.987 32.600 -0.387 0.000 1.650 477 M HN 0.364 nan 8.290 nan 0.000 0.479 478 T N 1.641 116.017 114.554 -0.297 0.000 2.809 478 T HA 0.659 5.011 4.350 0.003 0.000 0.284 478 T C -1.090 173.487 174.700 -0.204 0.000 0.992 478 T CA -0.515 61.447 62.100 -0.230 0.000 0.957 478 T CB 1.564 70.354 68.868 -0.129 0.000 0.942 478 T HN 0.481 nan 8.240 nan 0.000 0.439 479 V N 4.040 123.840 119.914 -0.191 0.000 2.409 479 V HA 0.727 4.849 4.120 0.003 0.000 0.291 479 V C -0.065 175.966 176.094 -0.104 0.000 1.020 479 V CA -0.749 61.469 62.300 -0.137 0.000 0.848 479 V CB 1.369 33.120 31.823 -0.121 0.000 0.990 479 V HN 1.049 nan 8.190 nan 0.000 0.430 480 S N 3.158 118.802 115.700 -0.094 0.000 2.569 480 S HA 0.632 5.104 4.470 0.003 0.000 0.280 480 S C -0.349 174.202 174.600 -0.083 0.000 1.111 480 S CA -0.875 57.278 58.200 -0.078 0.000 0.887 480 S CB 1.762 64.925 63.200 -0.061 0.000 1.095 480 S HN 0.704 nan 8.310 nan 0.000 0.476 481 N N -0.216 118.439 118.700 -0.075 0.000 2.681 481 N HA -0.104 4.638 4.740 0.003 0.000 0.259 481 N C -1.049 174.397 175.510 -0.107 0.000 1.066 481 N CA 0.561 53.564 53.050 -0.077 0.000 0.717 481 N CB -1.244 37.206 38.487 -0.062 0.000 0.885 481 N HN 0.624 nan 8.380 nan 0.000 0.547 482 V N 0.697 120.528 119.914 -0.138 0.000 2.483 482 V HA 0.602 4.724 4.120 0.003 0.000 0.295 482 V C 0.657 176.611 176.094 -0.234 0.000 1.035 482 V CA -0.696 61.488 62.300 -0.194 0.000 0.896 482 V CB 2.391 34.069 31.823 -0.241 0.000 0.986 482 V HN 0.066 nan 8.190 nan 0.000 0.447 483 V N 3.550 123.317 119.914 -0.246 0.000 2.638 483 V HA 0.421 4.542 4.120 0.003 0.000 0.306 483 V C -0.477 175.421 176.094 -0.325 0.000 1.052 483 V CA -0.524 61.610 62.300 -0.276 0.000 0.885 483 V CB 1.891 33.609 31.823 -0.175 0.000 0.999 483 V HN 1.011 nan 8.190 nan 0.000 0.424 484 c N 4.884 123.213 118.600 -0.451 0.000 2.345 484 c HA 0.679 5.251 4.570 0.003 0.000 0.323 484 c C -0.012 173.980 174.090 -0.164 0.000 1.276 484 c CA -0.317 55.823 56.329 -0.315 0.000 1.543 484 c CB 0.285 42.576 42.510 -0.365 0.000 2.211 484 c HN 1.002 nan 8.230 nan 0.000 0.493 485 E N 3.182 123.302 120.200 -0.134 0.000 2.202 485 E HA 0.636 4.988 4.350 0.003 0.000 0.272 485 E C 0.370 176.931 176.600 -0.065 0.000 0.951 485 E CA 0.120 56.451 56.400 -0.114 0.000 0.813 485 E CB 1.672 31.250 29.700 -0.204 0.000 1.151 485 E HN 1.301 nan 8.360 nan 0.000 0.398 486 G N 1.187 109.980 108.800 -0.011 0.000 2.757 486 G HA2 -0.232 3.730 3.960 0.003 0.000 0.638 486 G HA3 -0.232 3.730 3.960 0.003 0.000 0.638 486 G C -0.647 174.312 174.900 0.099 0.000 1.344 486 G CA -1.049 44.077 45.100 0.043 0.000 0.855 486 G HN 0.430 nan 8.290 nan 0.000 0.537 487 L N 0.457 121.746 121.223 0.110 0.000 2.515 487 L HA 0.272 4.614 4.340 0.003 0.000 0.281 487 L C 0.978 177.939 176.870 0.152 0.000 1.131 487 L CA -0.436 54.475 54.840 0.119 0.000 0.905 487 L CB -0.397 41.724 42.059 0.104 0.000 1.246 487 L HN 0.637 nan 8.230 nan 0.000 0.463 488 c N 5.084 123.792 118.600 0.180 0.000 2.335 488 c HA 0.517 5.089 4.570 0.003 0.000 0.363 488 c C -1.546 172.654 174.090 0.183 0.000 1.198 488 c CA -1.146 55.328 56.329 0.242 0.000 2.279 488 c CB 1.367 44.147 42.510 0.449 0.000 2.334 488 c HN 0.543 nan 8.230 nan 0.000 0.559 489 P HA 0.162 nan 4.420 nan 0.000 0.277 489 P C -0.540 176.790 177.300 0.050 0.000 1.271 489 P CA 0.069 63.228 63.100 0.099 0.000 0.795 489 P CB 0.391 32.135 31.700 0.074 0.000 1.101 490 S N 0.088 115.773 115.700 -0.026 0.000 2.566 490 S HA -0.054 4.418 4.470 0.003 0.000 0.280 490 S C 1.266 175.843 174.600 -0.040 0.000 1.343 490 S CA -0.437 57.740 58.200 -0.037 0.000 1.036 490 S CB -0.253 62.939 63.200 -0.013 0.000 0.866 490 S HN 0.421 nan 8.310 nan 0.000 0.526 491 L N 0.954 122.113 121.223 -0.107 0.000 2.072 491 L HA 0.407 4.749 4.340 0.003 0.000 0.205 491 L C -0.120 176.426 176.870 -0.540 0.000 1.079 491 L CA 1.347 55.989 54.840 -0.330 0.000 0.752 491 L CB -0.504 41.131 42.059 -0.708 0.000 0.906 491 L HN 0.750 nan 8.230 nan 0.000 0.436 492 F N -0.162 119.701 119.950 -0.145 0.000 2.518 492 F HA 0.551 5.078 4.527 0.001 0.000 0.323 492 F C 0.062 175.804 175.800 -0.098 0.000 1.129 492 F CA -0.720 57.194 58.000 -0.143 0.000 0.920 492 F CB 1.379 40.292 39.000 -0.145 0.000 1.160 492 F HN -0.328 nan 8.300 nan 0.000 0.440 493 R N 4.669 125.199 120.500 0.051 0.000 2.545 493 R HA 0.552 4.894 4.340 0.003 0.000 0.289 493 R C -1.479 174.767 176.300 -0.090 0.000 1.327 493 R CA -0.380 55.704 56.100 -0.027 0.000 1.040 493 R CB 1.541 31.804 30.300 -0.061 0.000 1.176 493 R HN 0.621 nan 8.270 nan 0.000 0.518 494 I N 1.802 122.287 120.570 -0.141 0.000 2.410 494 I HA 0.225 4.397 4.170 0.003 0.000 0.286 494 I C -0.068 175.926 176.117 -0.204 0.000 1.009 494 I CA -0.561 60.604 61.300 -0.225 0.000 1.111 494 I CB 2.456 40.198 38.000 -0.430 0.000 1.262 494 I HN 0.316 nan 8.210 nan 0.000 0.443 495 T N 7.672 122.117 114.554 -0.182 0.000 2.747 495 T HA 0.266 4.618 4.350 0.003 0.000 0.301 495 T C -2.446 172.168 174.700 -0.143 0.000 0.952 495 T CA -1.169 60.837 62.100 -0.157 0.000 0.983 495 T CB 0.466 69.225 68.868 -0.181 0.000 0.930 495 T HN 0.230 nan 8.240 nan 0.000 0.494 496 P HA 0.240 nan 4.420 nan 0.000 0.276 496 P C 0.189 177.457 177.300 -0.053 0.000 1.264 496 P CA -0.147 62.961 63.100 0.013 0.000 0.769 496 P CB 0.487 32.213 31.700 0.043 0.000 0.840 497 L N 1.892 123.054 121.223 -0.101 0.000 2.664 497 L HA 0.195 4.537 4.340 0.003 0.000 0.233 497 L C 1.054 177.889 176.870 -0.058 0.000 1.113 497 L CA 0.112 54.816 54.840 -0.228 0.000 0.896 497 L CB -0.103 41.671 42.059 -0.476 0.000 1.163 497 L HN 0.451 nan 8.230 nan 0.000 0.497 498 Q N -1.017 118.755 119.800 -0.048 0.000 2.869 498 Q HA 0.238 4.580 4.340 0.003 0.000 0.322 498 Q C -1.527 174.424 176.000 -0.082 0.000 0.832 498 Q CA -0.753 55.016 55.803 -0.057 0.000 0.791 498 Q CB 0.732 29.410 28.738 -0.099 0.000 1.412 498 Q HN -0.096 nan 8.270 nan 0.000 0.483 499 N N 0.254 118.904 118.700 -0.084 0.000 2.453 499 N HA 0.229 4.970 4.740 0.003 0.000 0.253 499 N C -0.934 174.439 175.510 -0.228 0.000 1.252 499 N CA 0.388 53.407 53.050 -0.052 0.000 0.917 499 N CB 0.144 38.620 38.487 -0.018 0.000 1.117 499 N HN 0.358 nan 8.380 nan 0.000 0.442 500 Y N 0.367 120.623 120.300 -0.074 0.000 2.335 500 Y HA 0.316 4.869 4.550 0.004 0.000 0.338 500 Y C 0.551 176.453 175.900 0.004 0.000 0.977 500 Y CA -0.484 57.579 58.100 -0.062 0.000 1.114 500 Y CB 1.430 39.736 38.460 -0.256 0.000 1.182 500 Y HN 0.305 nan 8.280 nan 0.000 0.463 501 K N 2.584 123.081 120.400 0.161 0.000 2.468 501 K HA 0.356 4.678 4.320 0.003 0.000 0.252 501 K C -0.818 175.874 176.600 0.154 0.000 0.932 501 K CA -0.670 55.691 56.287 0.124 0.000 0.794 501 K CB 0.879 33.415 32.500 0.060 0.000 1.241 501 K HN 0.835 nan 8.250 nan 0.000 0.428 502 N N 2.070 120.846 118.700 0.127 0.000 2.699 502 N HA -0.258 4.484 4.740 0.003 0.000 0.256 502 N C -1.438 174.155 175.510 0.138 0.000 0.993 502 N CA 0.633 53.745 53.050 0.104 0.000 0.759 502 N CB -1.056 37.463 38.487 0.053 0.000 0.906 502 N HN 0.381 nan 8.380 nan 0.000 0.541 503 F N 1.068 121.050 119.950 0.054 0.000 2.313 503 F HA 0.403 4.931 4.527 0.002 0.000 0.369 503 F C -0.007 175.827 175.800 0.057 0.000 1.109 503 F CA -0.825 57.219 58.000 0.074 0.000 1.132 503 F CB 0.658 39.734 39.000 0.128 0.000 1.291 503 F HN -0.187 nan 8.300 nan 0.000 0.496 504 V N 6.615 126.520 119.914 -0.014 0.000 2.439 504 V HA 0.400 4.522 4.120 0.003 0.000 0.282 504 V C -0.432 175.668 176.094 0.011 0.000 1.039 504 V CA -0.662 61.655 62.300 0.028 0.000 0.913 504 V CB 1.397 33.204 31.823 -0.025 0.000 0.983 504 V HN 0.432 nan 8.190 nan 0.000 0.460 505 V N 6.115 126.085 119.914 0.093 0.000 2.409 505 V HA 0.534 4.656 4.120 0.003 0.000 0.290 505 V C -0.290 175.815 176.094 0.019 0.000 1.017 505 V CA -0.790 61.540 62.300 0.050 0.000 0.841 505 V CB 1.519 33.415 31.823 0.121 0.000 1.003 505 V HN 1.016 nan 8.190 nan 0.000 0.426 506 K N 3.218 123.608 120.400 -0.015 0.000 2.468 506 K HA 0.612 4.934 4.320 0.003 0.000 0.252 506 K C -0.552 176.039 176.600 -0.014 0.000 0.932 506 K CA -0.897 55.392 56.287 0.004 0.000 0.794 506 K CB 1.825 34.331 32.500 0.009 0.000 1.241 506 K HN 0.386 nan 8.250 nan 0.000 0.428 507 N N 0.687 119.397 118.700 0.016 0.000 2.621 507 N HA -0.115 4.627 4.740 0.003 0.000 0.269 507 N C -1.373 174.123 175.510 -0.025 0.000 1.154 507 N CA 0.596 53.652 53.050 0.010 0.000 0.696 507 N CB -0.729 37.753 38.487 -0.008 0.000 0.878 507 N HN 0.436 nan 8.380 nan 0.000 0.550 508 V N 0.517 120.435 119.914 0.007 0.000 2.487 508 V HA 0.829 4.951 4.120 0.003 0.000 0.298 508 V C 0.225 176.358 176.094 0.066 0.000 1.028 508 V CA -0.757 61.504 62.300 -0.067 0.000 0.860 508 V CB 1.963 33.676 31.823 -0.183 0.000 0.991 508 V HN 0.568 nan 8.190 nan 0.000 0.427 509 A N 4.384 127.151 122.820 -0.088 0.000 2.371 509 A HA 0.915 5.237 4.320 0.003 0.000 0.311 509 A C -1.214 176.264 177.584 -0.177 0.000 1.068 509 A CA -0.353 51.688 52.037 0.007 0.000 0.744 509 A CB 1.016 20.010 19.000 -0.010 0.000 1.239 509 A HN 0.669 nan 8.150 nan 0.000 0.435 510 F N 3.495 123.499 119.950 0.091 0.000 2.449 510 F HA 0.340 4.870 4.527 0.005 0.000 0.344 510 F C -1.544 174.276 175.800 0.034 0.000 1.180 510 F CA -1.727 56.310 58.000 0.063 0.000 1.209 510 F CB 1.647 40.710 39.000 0.105 0.000 1.440 510 F HN 0.457 nan 8.300 nan 0.000 0.526 511 P HA -0.157 nan 4.420 nan 0.000 0.219 511 P C 0.539 177.883 177.300 0.074 0.000 1.146 511 P CA 1.504 64.649 63.100 0.075 0.000 0.808 511 P CB 0.461 32.175 31.700 0.023 0.000 0.779 512 D N -0.807 119.646 120.400 0.088 0.000 2.349 512 D HA 0.233 4.875 4.640 0.003 0.000 0.214 512 D C 1.211 177.562 176.300 0.085 0.000 1.063 512 D CA 0.664 54.708 54.000 0.072 0.000 0.847 512 D CB 0.572 41.408 40.800 0.060 0.000 0.933 512 D HN 0.169 nan 8.370 nan 0.000 0.513 513 G N 0.761 109.633 108.800 0.120 0.000 2.662 513 G HA2 -0.183 3.779 3.960 0.003 0.000 0.686 513 G HA3 -0.183 3.779 3.960 0.003 0.000 0.686 513 G C -0.619 174.327 174.900 0.076 0.000 1.271 513 G CA -0.920 44.227 45.100 0.079 0.000 0.816 513 G HN 0.141 nan 8.290 nan 0.000 0.608 514 L N 0.674 121.878 121.223 -0.032 0.000 2.418 514 L HA 0.339 4.681 4.340 0.003 0.000 0.265 514 L C 1.464 178.334 176.870 0.000 0.000 1.143 514 L CA -0.610 54.192 54.840 -0.064 0.000 0.809 514 L CB 0.752 42.712 42.059 -0.164 0.000 1.124 514 L HN 0.697 nan 8.230 nan 0.000 0.456 515 Q N 0.507 120.324 119.800 0.029 0.000 2.315 515 Q HA 0.012 4.354 4.340 0.003 0.000 0.289 515 Q C 0.342 176.352 176.000 0.016 0.000 1.044 515 Q CA 0.583 56.410 55.803 0.040 0.000 0.920 515 Q CB 0.525 29.303 28.738 0.066 0.000 1.214 515 Q HN 0.721 nan 8.270 nan 0.000 0.392 516 T N -1.852 112.713 114.554 0.018 0.000 3.339 516 T HA 0.149 4.501 4.350 0.003 0.000 0.292 516 T C -0.171 174.538 174.700 0.016 0.000 1.012 516 T CA -0.686 61.419 62.100 0.008 0.000 0.937 516 T CB -0.242 68.626 68.868 -0.001 0.000 1.164 516 T HN 0.601 nan 8.240 nan 0.000 0.509 517 N N 0.900 119.616 118.700 0.027 0.000 2.413 517 N HA 0.280 5.022 4.740 0.003 0.000 0.266 517 N C 1.254 176.779 175.510 0.026 0.000 1.238 517 N CA -0.179 52.889 53.050 0.031 0.000 0.972 517 N CB 0.635 39.150 38.487 0.046 0.000 1.210 517 N HN 0.085 nan 8.380 nan 0.000 0.547 518 S N -0.988 114.728 115.700 0.027 0.000 2.515 518 S HA -0.001 4.471 4.470 0.003 0.000 0.231 518 S C 1.520 176.136 174.600 0.026 0.000 0.987 518 S CA 0.070 58.284 58.200 0.023 0.000 0.936 518 S CB -0.868 62.345 63.200 0.022 0.000 0.766 518 S HN 0.571 nan 8.310 nan 0.000 0.528 519 I N 1.533 122.124 120.570 0.034 0.000 2.252 519 I HA 0.055 4.227 4.170 0.003 0.000 0.245 519 I C 2.276 178.408 176.117 0.025 0.000 1.102 519 I CA 1.130 62.452 61.300 0.036 0.000 1.385 519 I CB -0.877 37.155 38.000 0.053 0.000 1.064 519 I HN 0.576 nan 8.210 nan 0.000 0.414 520 G N 0.301 109.115 108.800 0.022 0.000 2.159 520 G HA2 -0.245 3.717 3.960 0.003 0.000 0.227 520 G HA3 -0.245 3.717 3.960 0.003 0.000 0.227 520 G C 0.826 175.728 174.900 0.003 0.000 0.986 520 G CA 0.474 45.581 45.100 0.011 0.000 0.651 520 G HN 0.252 nan 8.290 nan 0.000 0.523 521 T N 0.433 114.991 114.554 0.006 0.000 2.881 521 T HA 0.064 4.416 4.350 0.003 0.000 0.270 521 T C 2.403 177.089 174.700 -0.025 0.000 1.068 521 T CA 1.967 64.054 62.100 -0.022 0.000 1.131 521 T CB -0.255 68.619 68.868 0.009 0.000 0.871 521 T HN 0.948 nan 8.240 nan 0.000 0.479 522 G N 0.751 109.550 108.800 -0.002 0.000 2.534 522 G HA2 -0.057 3.905 3.960 0.003 0.000 0.217 522 G HA3 -0.057 3.905 3.960 0.003 0.000 0.217 522 G C 0.446 175.342 174.900 -0.007 0.000 1.128 522 G CA -0.142 44.951 45.100 -0.013 0.000 0.784 522 G HN 0.499 nan 8.290 nan 0.000 0.542 523 E N 1.177 121.382 120.200 0.009 0.000 2.259 523 E HA 0.338 4.690 4.350 0.003 0.000 0.281 523 E C -0.328 176.311 176.600 0.065 0.000 1.037 523 E CA -0.387 56.039 56.400 0.042 0.000 0.854 523 E CB 0.488 30.206 29.700 0.030 0.000 1.051 523 E HN 0.069 nan 8.360 nan 0.000 0.409 524 S N 4.017 119.808 115.700 0.151 0.000 2.565 524 S HA 0.343 4.815 4.470 0.003 0.000 0.276 524 S C -0.045 174.646 174.600 0.151 0.000 1.326 524 S CA -0.254 58.074 58.200 0.212 0.000 1.045 524 S CB 0.364 63.840 63.200 0.460 0.000 0.918 524 S HN 0.405 nan 8.310 nan 0.000 0.505 525 I N 3.475 124.092 120.570 0.079 0.000 2.500 525 I HA 0.416 4.588 4.170 0.003 0.000 0.286 525 I C -1.020 175.064 176.117 -0.054 0.000 1.063 525 I CA -0.174 61.125 61.300 -0.002 0.000 1.062 525 I CB 1.362 39.352 38.000 -0.017 0.000 1.223 525 I HN 0.437 nan 8.210 nan 0.000 0.435 526 I N 7.996 128.499 120.570 -0.111 0.000 2.495 526 I HA 0.329 4.501 4.170 0.003 0.000 0.277 526 I C -2.341 173.761 176.117 -0.026 0.000 1.045 526 I CA -1.693 59.518 61.300 -0.149 0.000 1.135 526 I CB 1.663 39.465 38.000 -0.329 0.000 1.241 526 I HN 0.235 nan 8.210 nan 0.000 0.469 527 P HA 0.204 nan 4.420 nan 0.000 0.274 527 P C -0.171 177.192 177.300 0.105 0.000 1.256 527 P CA -0.331 62.786 63.100 0.029 0.000 0.795 527 P CB 0.905 32.602 31.700 -0.005 0.000 1.038 528 A N 0.648 123.469 122.820 0.002 0.000 2.520 528 A HA 0.421 4.743 4.320 0.003 0.000 0.235 528 A C 0.373 177.970 177.584 0.022 0.000 1.065 528 A CA 0.497 52.484 52.037 -0.084 0.000 0.764 528 A CB -0.926 17.999 19.000 -0.126 0.000 1.002 528 A HN 0.633 nan 8.150 nan 0.000 0.502 529 A N 2.281 125.130 122.820 0.048 0.000 2.768 529 A HA 0.541 4.863 4.320 0.003 0.000 0.298 529 A C 0.066 177.693 177.584 0.072 0.000 1.159 529 A CA 0.113 52.204 52.037 0.091 0.000 0.783 529 A CB 0.148 19.238 19.000 0.149 0.000 1.333 529 A HN 1.488 nan 8.150 nan 0.000 0.412 530 S N 1.189 116.906 115.700 0.027 0.000 2.575 530 S HA 0.387 4.859 4.470 0.003 0.000 0.295 530 S C 1.612 176.240 174.600 0.046 0.000 1.267 530 S CA 2.036 60.246 58.200 0.017 0.000 1.074 530 S CB 0.004 63.209 63.200 0.009 0.000 0.829 530 S HN 2.446 nan 8.310 nan 0.000 0.497 531 G N 3.433 112.261 108.800 0.047 0.000 2.175 531 G HA2 -0.196 3.766 3.960 0.003 0.000 0.244 531 G HA3 -0.196 3.766 3.960 0.003 0.000 0.244 531 G C -0.042 174.908 174.900 0.083 0.000 0.982 531 G CA 0.263 45.397 45.100 0.056 0.000 0.641 531 G HN 0.697 nan 8.290 nan 0.000 0.527 532 L N 1.474 122.772 121.223 0.125 0.000 2.331 532 L HA 0.704 5.046 4.340 0.003 0.000 0.275 532 L C 0.977 177.980 176.870 0.221 0.000 1.022 532 L CA -0.377 54.554 54.840 0.152 0.000 0.812 532 L CB 1.886 44.039 42.059 0.156 0.000 1.257 532 L HN 0.322 nan 8.230 nan 0.000 0.435 533 T N -0.348 114.298 114.554 0.152 0.000 2.929 533 T HA 0.557 4.909 4.350 0.003 0.000 0.284 533 T C -0.318 174.408 174.700 0.042 0.000 1.014 533 T CA -0.715 61.472 62.100 0.144 0.000 1.051 533 T CB 1.856 70.782 68.868 0.097 0.000 1.028 533 T HN 0.442 nan 8.240 nan 0.000 0.485 534 M N 3.254 122.818 119.600 -0.059 0.000 2.634 534 M HA 0.457 4.939 4.480 0.003 0.000 0.211 534 M C 0.417 176.668 176.300 -0.081 0.000 1.019 534 M CA -0.856 54.278 55.300 -0.276 0.000 0.834 534 M CB -0.046 32.032 32.600 -0.870 0.000 1.376 534 M HN 0.916 nan 8.290 nan 0.000 0.465 535 G N 4.017 112.829 108.800 0.020 0.000 3.213 535 G HA2 0.414 4.376 3.960 0.003 0.000 0.263 535 G HA3 0.414 4.376 3.960 0.003 0.000 0.263 535 G C -0.447 174.514 174.900 0.101 0.000 0.829 535 G CA -0.350 44.793 45.100 0.073 0.000 1.983 535 G HN 0.602 nan 8.290 nan 0.000 0.616 536 L N 1.425 122.685 121.223 0.062 0.000 2.276 536 L HA 0.551 4.893 4.340 0.003 0.000 0.286 536 L C 0.546 177.509 176.870 0.154 0.000 1.061 536 L CA -0.672 54.215 54.840 0.079 0.000 0.807 536 L CB 1.802 43.770 42.059 -0.152 0.000 1.177 536 L HN 0.299 nan 8.230 nan 0.000 0.429 537 A N 6.172 129.093 122.820 0.168 0.000 2.394 537 A HA 0.659 4.981 4.320 0.003 0.000 0.333 537 A C -0.368 177.302 177.584 0.144 0.000 1.397 537 A CA -0.363 51.755 52.037 0.135 0.000 0.884 537 A CB -0.119 18.939 19.000 0.096 0.000 1.147 537 A HN 0.669 nan 8.150 nan 0.000 0.505 538 I N 2.608 123.276 120.570 0.164 0.000 2.359 538 I HA 0.459 4.631 4.170 0.003 0.000 0.294 538 I C 0.469 176.686 176.117 0.167 0.000 0.987 538 I CA -0.030 61.370 61.300 0.166 0.000 1.225 538 I CB 1.931 40.047 38.000 0.193 0.000 1.366 538 I HN 0.655 nan 8.210 nan 0.000 0.466 539 S N 4.027 119.811 115.700 0.141 0.000 2.588 539 S HA 0.770 5.242 4.470 0.003 0.000 0.275 539 S C 0.019 174.708 174.600 0.149 0.000 1.130 539 S CA -0.351 57.932 58.200 0.139 0.000 0.855 539 S CB 1.967 65.221 63.200 0.090 0.000 1.116 539 S HN 1.338 nan 8.310 nan 0.000 0.472 540 A N 0.021 122.933 122.820 0.153 0.000 2.687 540 A HA -0.145 4.176 4.320 0.003 0.000 0.299 540 A C -0.216 177.505 177.584 0.229 0.000 1.497 540 A CA 0.869 52.994 52.037 0.147 0.000 0.751 540 A CB -2.176 16.878 19.000 0.089 0.000 1.048 540 A HN 1.511 nan 8.150 nan 0.000 0.464 541 W N 1.901 123.235 121.300 0.056 0.000 2.316 541 W HA 0.587 5.256 4.660 0.015 0.000 0.308 541 W C 0.329 176.900 176.519 0.087 0.000 1.106 541 W CA 0.092 57.483 57.345 0.075 0.000 1.262 541 W CB 0.690 30.195 29.460 0.076 0.000 1.233 541 W HN 0.915 nan 8.180 nan 0.000 0.447 542 T N 4.688 119.453 114.554 0.351 0.000 2.887 542 T HA 0.796 5.148 4.350 0.003 0.000 0.288 542 T C -0.697 174.125 174.700 0.204 0.000 1.021 542 T CA -0.792 61.392 62.100 0.139 0.000 1.000 542 T CB 1.897 70.832 68.868 0.113 0.000 1.034 542 T HN 0.318 nan 8.240 nan 0.000 0.467 543 I N 1.472 122.071 120.570 0.048 0.000 2.512 543 I HA 0.536 4.708 4.170 0.003 0.000 0.287 543 I C 1.016 177.156 176.117 0.038 0.000 1.069 543 I CA -0.799 60.547 61.300 0.077 0.000 1.056 543 I CB 1.735 39.680 38.000 -0.092 0.000 1.229 543 I HN 1.115 nan 8.210 nan 0.000 0.429 544 G N 4.095 112.940 108.800 0.075 0.000 2.225 544 G HA2 -0.146 3.816 3.960 0.003 0.000 0.267 544 G HA3 -0.146 3.816 3.960 0.003 0.000 0.267 544 G C 0.991 175.909 174.900 0.029 0.000 1.024 544 G CA 0.634 45.760 45.100 0.043 0.000 0.784 544 G HN 1.622 nan 8.290 nan 0.000 0.507 545 G N -2.118 106.705 108.800 0.038 0.000 2.179 545 G HA2 -0.227 3.735 3.960 0.003 0.000 0.260 545 G HA3 -0.227 3.735 3.960 0.003 0.000 0.260 545 G C 0.161 175.070 174.900 0.015 0.000 0.977 545 G CA 1.008 46.124 45.100 0.027 0.000 0.641 545 G HN 1.227 nan 8.290 nan 0.000 0.533 546 Q N -0.189 119.613 119.800 0.002 0.000 2.312 546 Q HA 0.501 4.843 4.340 0.003 0.000 0.263 546 Q C -0.052 175.926 176.000 -0.036 0.000 0.995 546 Q CA -0.794 54.999 55.803 -0.017 0.000 0.853 546 Q CB 2.034 30.753 28.738 -0.031 0.000 1.300 546 Q HN 0.278 nan 8.270 nan 0.000 0.448 547 K N 1.569 121.954 120.400 -0.025 0.000 2.368 547 K HA 0.190 4.511 4.320 0.003 0.000 0.282 547 K C -0.742 175.806 176.600 -0.088 0.000 1.035 547 K CA -0.258 56.013 56.287 -0.026 0.000 0.973 547 K CB 0.658 33.167 32.500 0.014 0.000 0.957 547 K HN 0.350 nan 8.250 nan 0.000 0.474 548 V N 4.709 124.518 119.914 -0.174 0.000 2.488 548 V HA 0.168 4.290 4.120 0.003 0.000 0.277 548 V C 0.544 176.631 176.094 -0.013 0.000 1.046 548 V CA -0.257 61.893 62.300 -0.250 0.000 0.986 548 V CB 0.758 32.101 31.823 -0.799 0.000 0.989 548 V HN 1.061 nan 8.190 nan 0.000 0.475 549 T N 2.115 116.710 114.554 0.068 0.000 2.742 549 T HA 0.441 4.793 4.350 0.003 0.000 0.282 549 T C 0.682 175.556 174.700 0.290 0.000 1.025 549 T CA -0.916 61.275 62.100 0.153 0.000 1.020 549 T CB 1.383 70.316 68.868 0.108 0.000 1.317 549 T HN 0.189 nan 8.240 nan 0.000 0.538 550 M N 0.562 120.326 119.600 0.273 0.000 2.630 550 M HA 0.106 4.588 4.480 0.003 0.000 0.254 550 M C 1.472 178.066 176.300 0.490 0.000 1.092 550 M CA 1.017 56.556 55.300 0.398 0.000 1.087 550 M CB -1.291 31.430 32.600 0.202 0.000 1.453 550 M HN 0.723 nan 8.290 nan 0.000 0.509 551 E N 0.368 120.743 120.200 0.291 0.000 2.452 551 E HA -0.020 4.332 4.350 0.003 0.000 0.197 551 E C 0.577 177.232 176.600 0.091 0.000 1.022 551 E CA 0.430 56.937 56.400 0.178 0.000 0.890 551 E CB 0.093 29.855 29.700 0.104 0.000 0.918 551 E HN 0.581 nan 8.360 nan 0.000 0.496 552 N N 0.025 118.789 118.700 0.107 0.000 2.232 552 N HA -0.037 4.705 4.740 0.003 0.000 0.240 552 N C 0.826 176.319 175.510 -0.029 0.000 1.307 552 N CA -0.410 52.630 53.050 -0.017 0.000 0.859 552 N CB -0.979 37.487 38.487 -0.035 0.000 1.260 552 N HN 0.110 nan 8.380 nan 0.000 0.501 553 F N 0.843 120.847 119.950 0.090 0.000 2.407 553 F HA 0.154 4.684 4.527 0.005 0.000 0.299 553 F C 1.102 177.010 175.800 0.180 0.000 1.097 553 F CA -0.324 57.761 58.000 0.142 0.000 1.422 553 F CB -0.462 38.779 39.000 0.401 0.000 1.067 553 F HN -0.012 nan 8.300 nan 0.000 0.539 554 Q N 1.862 121.257 119.800 -0.675 0.000 2.535 554 Q HA 0.227 4.569 4.340 0.003 0.000 0.228 554 Q C 1.503 177.417 176.000 -0.143 0.000 1.062 554 Q CA 0.278 55.733 55.803 -0.580 0.000 0.967 554 Q CB 0.596 28.924 28.738 -0.683 0.000 1.273 554 Q HN 0.246 nan 8.270 nan 0.000 0.554 555 A N 1.943 124.720 122.820 -0.071 0.000 1.940 555 A HA -0.247 4.075 4.320 0.003 0.000 0.219 555 A C 1.545 179.110 177.584 -0.032 0.000 1.176 555 A CA 1.946 53.978 52.037 -0.008 0.000 0.631 555 A CB -0.734 18.262 19.000 -0.007 0.000 0.814 555 A HN 0.922 nan 8.150 nan 0.000 0.446 556 N N -1.018 117.643 118.700 -0.065 0.000 2.268 556 N HA 0.100 4.842 4.740 0.003 0.000 0.204 556 N C 0.226 175.694 175.510 -0.070 0.000 1.124 556 N CA 0.837 53.853 53.050 -0.058 0.000 0.838 556 N CB 0.098 38.552 38.487 -0.055 0.000 0.994 556 N HN 0.324 nan 8.380 nan 0.000 0.489 557 S N -0.484 115.163 115.700 -0.088 0.000 2.894 557 S HA 0.384 4.856 4.470 0.003 0.000 0.298 557 S C 0.805 175.350 174.600 -0.092 0.000 1.054 557 S CA -0.597 57.547 58.200 -0.094 0.000 0.903 557 S CB 0.190 63.313 63.200 -0.127 0.000 1.356 557 S HN 0.028 nan 8.310 nan 0.000 0.626 558 L N 1.824 122.980 121.223 -0.112 0.000 2.017 558 L HA 0.205 4.547 4.340 0.003 0.000 0.208 558 L C 2.208 178.956 176.870 -0.203 0.000 1.073 558 L CA 2.705 57.457 54.840 -0.147 0.000 0.745 558 L CB -1.306 40.653 42.059 -0.167 0.000 0.894 558 L HN 0.781 nan 8.230 nan 0.000 0.432 559 G N -2.169 106.494 108.800 -0.228 0.000 2.484 559 G HA2 -0.175 3.787 3.960 0.003 0.000 0.218 559 G HA3 -0.175 3.787 3.960 0.003 0.000 0.218 559 G C 0.663 175.582 174.900 0.031 0.000 1.130 559 G CA 0.418 45.333 45.100 -0.309 0.000 0.784 559 G HN 0.618 nan 8.290 nan 0.000 0.543 560 Q N -1.503 118.329 119.800 0.052 0.000 2.434 560 Q HA -0.218 4.124 4.340 0.003 0.000 0.299 560 Q C -0.525 175.640 176.000 0.275 0.000 1.286 560 Q CA 0.139 56.007 55.803 0.108 0.000 0.872 560 Q CB -1.651 27.118 28.738 0.052 0.000 1.193 560 Q HN 0.422 nan 8.270 nan 0.000 0.466 561 F N 1.937 121.991 119.950 0.173 0.000 2.425 561 F HA 0.226 4.751 4.527 -0.002 0.000 0.354 561 F C 0.572 176.479 175.800 0.177 0.000 1.162 561 F CA -1.438 56.709 58.000 0.244 0.000 1.250 561 F CB 0.041 39.289 39.000 0.413 0.000 1.579 561 F HN 0.054 nan 8.300 nan 0.000 0.589 562 N N 6.179 124.940 118.700 0.101 0.000 3.178 562 N HA 0.084 4.826 4.740 0.003 0.000 0.300 562 N C -0.252 175.136 175.510 -0.204 0.000 1.242 562 N CA -0.131 52.896 53.050 -0.037 0.000 1.192 562 N CB 0.048 38.538 38.487 0.005 0.000 1.463 562 N HN 0.580 nan 8.380 nan 0.000 0.539 563 I N 0.985 121.254 120.570 -0.501 0.000 2.395 563 I HA 0.103 4.275 4.170 0.003 0.000 0.289 563 I C 0.125 176.154 176.117 -0.146 0.000 1.023 563 I CA -0.529 60.433 61.300 -0.564 0.000 1.350 563 I CB 0.807 37.982 38.000 -1.375 0.000 1.409 563 I HN 0.269 nan 8.210 nan 0.000 0.507 564 D N 4.516 124.927 120.400 0.019 0.000 2.472 564 D HA 0.090 4.732 4.640 0.003 0.000 0.237 564 D C 1.336 177.681 176.300 0.075 0.000 1.141 564 D CA 0.908 54.920 54.000 0.020 0.000 0.875 564 D CB 1.339 42.097 40.800 -0.070 0.000 1.192 564 D HN 0.702 nan 8.370 nan 0.000 0.450 565 G N 1.356 110.185 108.800 0.048 0.000 2.509 565 G HA2 -0.240 3.722 3.960 0.003 0.000 0.218 565 G HA3 -0.240 3.722 3.960 0.003 0.000 0.218 565 G C 1.500 176.449 174.900 0.082 0.000 1.124 565 G CA 0.815 45.985 45.100 0.117 0.000 0.776 565 G HN 0.550 nan 8.290 nan 0.000 0.547 566 S N -0.242 115.389 115.700 -0.116 0.000 2.442 566 S HA -0.111 4.361 4.470 0.003 0.000 0.236 566 S C 1.810 176.327 174.600 -0.137 0.000 1.007 566 S CA 0.754 58.835 58.200 -0.199 0.000 0.965 566 S CB -0.595 62.378 63.200 -0.378 0.000 0.773 566 S HN 0.549 nan 8.310 nan 0.000 0.504 567 Y N -0.024 120.382 120.300 0.178 0.000 2.490 567 Y HA 0.260 4.810 4.550 0.001 0.000 0.281 567 Y C 1.074 177.145 175.900 0.286 0.000 1.174 567 Y CA -1.046 57.181 58.100 0.211 0.000 1.295 567 Y CB -0.051 38.520 38.460 0.185 0.000 1.062 567 Y HN 0.349 nan 8.280 nan 0.000 0.522 568 W N 2.068 123.491 121.300 0.204 0.000 2.343 568 W HA 0.151 4.808 4.660 -0.004 0.000 0.337 568 W C 0.917 177.378 176.519 -0.097 0.000 1.320 568 W CA 1.964 59.324 57.345 0.024 0.000 1.290 568 W CB 0.390 29.854 29.460 0.006 0.000 1.206 568 W HN 0.484 nan 8.180 nan 0.000 0.565 569 G N 3.614 111.824 108.800 -0.983 0.000 2.258 569 G HA2 -0.355 3.607 3.960 0.003 0.000 0.233 569 G HA3 -0.355 3.607 3.960 0.003 0.000 0.233 569 G C 0.833 175.483 174.900 -0.416 0.000 1.006 569 G CA 0.462 45.148 45.100 -0.689 0.000 0.620 569 G HN 0.600 nan 8.290 nan 0.000 0.511 570 E N -0.411 119.649 120.200 -0.234 0.000 2.299 570 E HA 0.123 4.475 4.350 0.003 0.000 0.193 570 E C 1.273 177.862 176.600 -0.019 0.000 0.998 570 E CA 0.709 57.080 56.400 -0.049 0.000 0.851 570 E CB 0.085 29.851 29.700 0.109 0.000 0.795 570 E HN 0.754 nan 8.360 nan 0.000 0.492 571 W N 0.488 121.673 121.300 -0.191 0.000 2.736 571 W HA 0.674 5.332 4.660 -0.003 0.000 0.355 571 W C -0.861 175.522 176.519 -0.227 0.000 1.102 571 W CA -0.943 56.294 57.345 -0.179 0.000 1.164 571 W CB 0.812 30.170 29.460 -0.171 0.000 1.422 571 W HN -0.279 nan 8.180 nan 0.000 0.572 572 Q N 1.415 121.280 119.800 0.109 0.000 2.353 572 Q HA 0.508 4.850 4.340 0.003 0.000 0.275 572 Q C -1.963 174.162 176.000 0.209 0.000 1.029 572 Q CA -0.696 55.068 55.803 -0.065 0.000 0.848 572 Q CB 3.072 31.732 28.738 -0.130 0.000 1.390 572 Q HN 0.634 nan 8.270 nan 0.000 0.401 573 I N 2.639 123.327 120.570 0.197 0.000 2.378 573 I HA 0.473 4.645 4.170 0.003 0.000 0.291 573 I C -0.189 176.016 176.117 0.145 0.000 0.992 573 I CA -0.255 61.197 61.300 0.253 0.000 1.154 573 I CB 1.839 40.066 38.000 0.379 0.000 1.315 573 I HN 0.710 nan 8.210 nan 0.000 0.448 574 S N 0.000 115.782 115.700 0.136 0.000 2.498 574 S HA 0.000 4.472 4.470 0.003 0.000 0.327 574 S CA 0.000 58.256 58.200 0.094 0.000 1.107 574 S CB 0.000 63.234 63.200 0.056 0.000 0.593 574 S HN 0.000 nan 8.310 nan 0.000 0.517