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 2r5j_1_O DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVT RTNIYYHAGS SRLLAVGHPY YAIKKQDSNK IAVPKVSGLQ DATA SEQUENCE YRVFRVKLPD PNKFGFPDTS FYDPASQRLV WACTGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENSNKYVGNS GTDNRECISM DYKQTQLCLI GCRPPIGEHW DATA SEQUENCE GKGTPSNANQ VKAGECPPLE LLNTVLQDGD MVDTGFGAMD FTTLQANKSD DATA SEQUENCE VPLDICSSIC KYPDYLKMVS EPYGDMLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE TVPADLYIKG TTGTLPSTSY FPTPSGSMVT SDAQIFNKPY WLQRAQGHNN DATA SEQUENCE GICWSNQLFV TVVDTTRSTN MSVCSAVSSS DSTYKNDNFK EYLRHGEEYD DATA SEQUENCE LQFIFQLCKI TLTADVMTYI HSMNPSILED WNXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX PLKNYTFWEV DLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.614 177.584 0.051 0.000 1.274 20 A CA 0.000 52.050 52.037 0.022 0.000 0.836 20 A CB 0.000 19.003 19.000 0.006 0.000 0.831 21 V N 2.225 122.099 119.914 -0.066 0.000 2.617 21 V HA 0.301 4.421 4.120 -0.000 0.000 0.304 21 V C 0.504 176.506 176.094 -0.154 0.000 1.040 21 V CA 0.561 62.781 62.300 -0.133 0.000 1.149 21 V CB 0.709 32.194 31.823 -0.563 0.000 0.914 21 V HN 0.757 nan 8.190 nan 0.000 0.487 22 V N 3.539 123.495 119.914 0.070 0.000 3.155 22 V HA 0.509 4.628 4.120 -0.000 0.000 0.313 22 V C 0.100 176.397 176.094 0.339 0.000 1.162 22 V CA -0.713 61.647 62.300 0.101 0.000 1.048 22 V CB 2.308 34.127 31.823 -0.007 0.000 1.092 22 V HN 0.833 nan 8.190 nan 0.000 0.447 23 S N 0.416 116.316 115.700 0.333 0.000 2.523 23 S HA 0.121 4.591 4.470 -0.000 0.000 0.275 23 S C 1.505 176.151 174.600 0.076 0.000 1.281 23 S CA 0.293 58.667 58.200 0.290 0.000 1.050 23 S CB 1.110 64.418 63.200 0.181 0.000 0.937 23 S HN 1.197 nan 8.310 nan 0.000 0.492 24 T N 1.730 116.283 114.554 -0.001 0.000 2.869 24 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 24 T C 0.920 175.353 174.700 -0.444 0.000 1.082 24 T CA 1.731 63.551 62.100 -0.467 0.000 1.123 24 T CB -0.633 68.124 68.868 -0.185 0.000 0.856 24 T HN 0.725 nan 8.240 nan 0.000 0.499 25 D N 1.306 121.604 120.400 -0.169 0.000 2.263 25 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 25 D C 2.087 178.337 176.300 -0.084 0.000 0.971 25 D CA 0.794 54.732 54.000 -0.105 0.000 0.867 25 D CB -0.183 40.598 40.800 -0.032 0.000 0.929 25 D HN 0.518 nan 8.370 nan 0.000 0.492 26 E N 0.014 120.167 120.200 -0.078 0.000 2.285 26 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 26 E C 0.930 177.604 176.600 0.123 0.000 0.997 26 E CA 0.475 56.895 56.400 0.032 0.000 0.845 26 E CB 0.081 29.839 29.700 0.096 0.000 0.782 26 E HN 0.617 nan 8.360 nan 0.000 0.491 27 Y N -2.571 117.794 120.300 0.107 0.000 2.738 27 Y HA 0.490 5.040 4.550 -0.000 0.000 0.249 27 Y C -0.270 175.736 175.900 0.176 0.000 1.153 27 Y CA -0.671 57.510 58.100 0.135 0.000 1.165 27 Y CB 0.092 38.654 38.460 0.170 0.000 1.235 27 Y HN -0.342 nan 8.280 nan 0.000 0.559 28 V N 1.623 121.497 119.914 -0.066 0.000 2.380 28 V HA 0.323 4.442 4.120 -0.000 0.000 0.286 28 V C 0.095 176.179 176.094 -0.016 0.000 1.015 28 V CA -0.516 61.786 62.300 0.004 0.000 0.834 28 V CB 1.353 33.117 31.823 -0.099 0.000 1.009 28 V HN 0.417 nan 8.190 nan 0.000 0.428 29 T N 5.684 120.245 114.554 0.012 0.000 2.868 29 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 29 T C 0.326 174.998 174.700 -0.046 0.000 1.028 29 T CA -0.331 61.762 62.100 -0.011 0.000 1.059 29 T CB 0.643 69.514 68.868 0.005 0.000 0.991 29 T HN 0.482 nan 8.240 nan 0.000 0.531 30 R N 0.762 121.235 120.500 -0.045 0.000 2.875 30 R HA 0.743 5.083 4.340 -0.000 0.000 0.251 30 R C 0.014 176.279 176.300 -0.058 0.000 1.123 30 R CA -0.693 55.368 56.100 -0.066 0.000 1.064 30 R CB 1.516 31.796 30.300 -0.033 0.000 1.205 30 R HN 0.854 nan 8.270 nan 0.000 0.503 31 T N -3.225 111.278 114.554 -0.085 0.000 2.843 31 T HA 0.274 4.624 4.350 -0.000 0.000 0.302 31 T C -0.079 174.602 174.700 -0.030 0.000 1.232 31 T CA -0.870 61.206 62.100 -0.041 0.000 1.009 31 T CB 1.327 70.145 68.868 -0.083 0.000 1.254 31 T HN 0.539 nan 8.240 nan 0.000 0.504 32 N N 0.580 119.329 118.700 0.082 0.000 2.484 32 N HA 0.204 4.944 4.740 -0.000 0.000 0.245 32 N C -0.506 175.140 175.510 0.228 0.000 1.184 32 N CA -0.209 52.974 53.050 0.221 0.000 0.884 32 N CB -0.088 38.531 38.487 0.219 0.000 1.182 32 N HN 0.425 nan 8.380 nan 0.000 0.493 33 I N 1.845 122.400 120.570 -0.024 0.000 2.359 33 I HA 0.240 4.410 4.170 -0.000 0.000 0.284 33 I C -0.744 175.365 176.117 -0.014 0.000 1.018 33 I CA -0.649 60.704 61.300 0.088 0.000 1.173 33 I CB -0.355 37.704 38.000 0.097 0.000 1.326 33 I HN -0.014 nan 8.210 nan 0.000 0.462 34 Y N 5.650 126.073 120.300 0.205 0.000 2.468 34 Y HA 0.604 5.154 4.550 -0.000 0.000 0.342 34 Y C -0.631 175.310 175.900 0.069 0.000 1.021 34 Y CA -0.903 57.283 58.100 0.145 0.000 1.079 34 Y CB 1.819 40.203 38.460 -0.126 0.000 1.226 34 Y HN 0.308 nan 8.280 nan 0.000 0.460 35 Y N 1.237 121.581 120.300 0.074 0.000 2.442 35 Y HA 0.285 4.835 4.550 -0.000 0.000 0.344 35 Y C 0.065 175.799 175.900 -0.276 0.000 0.976 35 Y CA -1.151 56.920 58.100 -0.048 0.000 1.040 35 Y CB 1.299 39.715 38.460 -0.074 0.000 1.228 35 Y HN 0.635 nan 8.280 nan 0.000 0.451 36 H N 2.142 121.028 119.070 -0.306 0.000 2.509 36 H HA 0.839 5.395 4.556 -0.000 0.000 0.359 36 H C -1.291 173.666 175.328 -0.619 0.000 1.253 36 H CA -0.101 55.622 56.048 -0.541 0.000 1.373 36 H CB 1.565 30.790 29.762 -0.894 0.000 1.555 36 H HN 0.789 nan 8.280 nan 0.000 0.586 37 A N 1.555 124.035 122.820 -0.566 0.000 2.518 37 A HA 0.486 4.806 4.320 -0.000 0.000 0.295 37 A C -0.869 176.664 177.584 -0.086 0.000 1.052 37 A CA -0.030 51.839 52.037 -0.279 0.000 0.824 37 A CB 0.793 19.512 19.000 -0.468 0.000 1.325 37 A HN 0.851 nan 8.150 nan 0.000 0.394 38 G N 1.637 110.523 108.800 0.143 0.000 2.702 38 G HA2 0.604 4.564 3.960 -0.000 0.000 0.295 38 G HA3 0.604 4.564 3.960 -0.000 0.000 0.295 38 G C 0.038 175.029 174.900 0.151 0.000 1.446 38 G CA 0.231 45.435 45.100 0.173 0.000 0.983 38 G HN 1.559 nan 8.290 nan 0.000 0.520 39 S N 1.653 117.417 115.700 0.107 0.000 2.579 39 S HA 0.505 4.975 4.470 -0.000 0.000 0.275 39 S C 1.170 175.816 174.600 0.076 0.000 1.345 39 S CA 0.094 58.344 58.200 0.085 0.000 1.031 39 S CB 1.154 64.360 63.200 0.010 0.000 0.892 39 S HN 1.265 nan 8.310 nan 0.000 0.529 40 S N 1.655 117.412 115.700 0.095 0.000 2.602 40 S HA 0.248 4.717 4.470 -0.000 0.000 0.257 40 S C 0.306 174.953 174.600 0.077 0.000 1.250 40 S CA -0.935 57.319 58.200 0.090 0.000 0.986 40 S CB -0.025 63.234 63.200 0.099 0.000 1.040 40 S HN 1.004 nan 8.310 nan 0.000 0.562 41 R N -0.029 120.522 120.500 0.085 0.000 2.267 41 R HA 0.372 4.712 4.340 -0.000 0.000 0.319 41 R C -1.282 175.105 176.300 0.145 0.000 1.067 41 R CA -0.384 55.766 56.100 0.083 0.000 0.936 41 R CB -0.287 30.055 30.300 0.070 0.000 1.006 41 R HN 0.609 nan 8.270 nan 0.000 0.452 42 L N 6.363 127.688 121.223 0.170 0.000 2.260 42 L HA 0.321 4.661 4.340 -0.000 0.000 0.289 42 L C -0.199 176.915 176.870 0.407 0.000 1.057 42 L CA -0.269 54.781 54.840 0.350 0.000 0.811 42 L CB 1.015 43.231 42.059 0.261 0.000 1.184 42 L HN 0.578 nan 8.230 nan 0.000 0.429 43 L N 3.066 124.521 121.223 0.386 0.000 2.491 43 L HA 0.986 5.326 4.340 -0.000 0.000 0.264 43 L C -0.049 177.048 176.870 0.379 0.000 1.053 43 L CA -0.933 54.111 54.840 0.341 0.000 0.858 43 L CB 1.377 43.553 42.059 0.196 0.000 1.519 43 L HN 0.631 nan 8.230 nan 0.000 0.508 44 A N 0.232 123.200 122.820 0.246 0.000 2.458 44 A HA 0.589 4.909 4.320 -0.000 0.000 0.304 44 A C -1.515 176.125 177.584 0.093 0.000 1.026 44 A CA -0.365 51.769 52.037 0.161 0.000 1.021 44 A CB 0.513 19.699 19.000 0.311 0.000 1.479 44 A HN 0.242 nan 8.150 nan 0.000 0.385 45 V N 1.297 121.238 119.914 0.045 0.000 2.769 45 V HA 1.010 5.130 4.120 -0.000 0.000 0.312 45 V C 0.730 176.843 176.094 0.032 0.000 1.061 45 V CA 0.352 62.679 62.300 0.045 0.000 0.931 45 V CB 1.898 33.747 31.823 0.044 0.000 1.010 45 V HN 1.933 nan 8.190 nan 0.000 0.433 46 G N 0.743 109.568 108.800 0.042 0.000 2.340 46 G HA2 0.301 4.261 3.960 -0.000 0.000 0.299 46 G HA3 0.301 4.261 3.960 -0.000 0.000 0.299 46 G C -1.721 173.214 174.900 0.058 0.000 1.291 46 G CA -0.709 44.422 45.100 0.052 0.000 0.841 46 G HN 0.711 nan 8.290 nan 0.000 0.500 47 H N 1.484 120.540 119.070 -0.024 0.000 2.610 47 H HA 0.356 4.912 4.556 -0.000 0.000 0.336 47 H C -1.504 173.741 175.328 -0.139 0.000 1.087 47 H CA -1.174 54.804 56.048 -0.117 0.000 1.405 47 H CB 2.399 32.075 29.762 -0.143 0.000 1.460 47 H HN 0.198 nan 8.280 nan 0.000 0.538 48 P HA 0.002 nan 4.420 nan 0.000 0.255 48 P C 0.221 177.629 177.300 0.180 0.000 1.248 48 P CA 0.788 63.826 63.100 -0.103 0.000 0.807 48 P CB 0.180 31.696 31.700 -0.307 0.000 1.150 49 Y N -0.531 119.859 120.300 0.150 0.000 2.594 49 Y HA 0.167 4.717 4.550 -0.000 0.000 0.283 49 Y C 0.852 176.778 175.900 0.044 0.000 1.140 49 Y CA -0.670 57.445 58.100 0.025 0.000 1.261 49 Y CB 0.342 38.739 38.460 -0.105 0.000 1.358 49 Y HN -0.148 nan 8.280 nan 0.000 0.513 50 Y N -1.266 119.188 120.300 0.257 0.000 2.609 50 Y HA 0.813 5.363 4.550 -0.000 0.000 0.336 50 Y C -0.936 174.947 175.900 -0.028 0.000 1.129 50 Y CA -2.904 55.227 58.100 0.051 0.000 1.040 50 Y CB 0.522 38.964 38.460 -0.030 0.000 1.310 50 Y HN -0.089 nan 8.280 nan 0.000 0.460 51 A N 2.472 125.460 122.820 0.281 0.000 2.366 51 A HA 0.646 4.966 4.320 -0.000 0.000 0.272 51 A C -0.594 177.089 177.584 0.164 0.000 1.135 51 A CA -0.606 51.535 52.037 0.173 0.000 0.804 51 A CB -0.420 18.640 19.000 0.099 0.000 1.064 51 A HN 0.655 nan 8.150 nan 0.000 0.499 52 I N 3.099 123.755 120.570 0.143 0.000 2.322 52 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 52 I C 0.627 176.775 176.117 0.052 0.000 1.060 52 I CA -0.140 61.222 61.300 0.103 0.000 1.309 52 I CB 0.550 38.628 38.000 0.130 0.000 1.415 52 I HN 0.716 nan 8.210 nan 0.000 0.492 53 K N 4.853 125.265 120.400 0.021 0.000 2.123 53 K HA 0.529 4.849 4.320 -0.000 0.000 0.248 53 K C -0.189 176.413 176.600 0.004 0.000 0.969 53 K CA -1.245 55.047 56.287 0.007 0.000 0.882 53 K CB 1.170 33.666 32.500 -0.007 0.000 1.080 53 K HN 0.143 nan 8.250 nan 0.000 0.441 54 K N 1.227 121.628 120.400 0.001 0.000 2.606 54 K HA -0.188 4.132 4.320 -0.000 0.000 0.279 54 K C 0.933 177.531 176.600 -0.002 0.000 0.961 54 K CA 0.764 57.051 56.287 0.001 0.000 1.002 54 K CB 0.447 32.945 32.500 -0.004 0.000 0.871 54 K HN 0.773 nan 8.250 nan 0.000 0.508 55 Q N 1.734 121.535 119.800 0.001 0.000 2.112 55 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 55 Q C 0.532 176.526 176.000 -0.010 0.000 0.987 55 Q CA 2.441 58.243 55.803 -0.003 0.000 0.858 55 Q CB 0.071 28.810 28.738 0.003 0.000 0.905 55 Q HN 0.775 nan 8.270 nan 0.000 0.420 56 D N -1.313 119.081 120.400 -0.009 0.000 2.628 56 D HA 0.031 4.671 4.640 -0.000 0.000 0.258 56 D C 0.506 176.798 176.300 -0.013 0.000 1.165 56 D CA 0.319 54.312 54.000 -0.012 0.000 0.991 56 D CB -0.820 39.974 40.800 -0.009 0.000 1.104 56 D HN 0.103 nan 8.370 nan 0.000 0.438 57 S N 1.291 116.984 115.700 -0.011 0.000 2.527 57 S HA -0.108 4.362 4.470 -0.000 0.000 0.274 57 S C 0.798 175.390 174.600 -0.014 0.000 1.349 57 S CA 0.120 58.313 58.200 -0.012 0.000 1.011 57 S CB 0.115 63.308 63.200 -0.010 0.000 0.837 57 S HN 0.359 nan 8.310 nan 0.000 0.524 58 N N 1.862 120.553 118.700 -0.015 0.000 2.401 58 N HA 0.119 4.859 4.740 -0.000 0.000 0.264 58 N C -0.595 174.906 175.510 -0.014 0.000 1.238 58 N CA -0.395 52.645 53.050 -0.016 0.000 0.889 58 N CB 0.213 38.690 38.487 -0.017 0.000 1.196 58 N HN 0.466 nan 8.380 nan 0.000 0.511 59 K N 1.354 121.746 120.400 -0.013 0.000 2.206 59 K HA 0.252 4.572 4.320 -0.000 0.000 0.264 59 K C -0.274 176.321 176.600 -0.009 0.000 0.967 59 K CA -0.662 55.618 56.287 -0.013 0.000 0.844 59 K CB 1.122 33.613 32.500 -0.014 0.000 1.099 59 K HN -0.112 nan 8.250 nan 0.000 0.441 60 I N 4.395 124.960 120.570 -0.009 0.000 2.662 60 I HA -0.085 4.085 4.170 -0.000 0.000 0.285 60 I C 1.244 177.360 176.117 -0.002 0.000 1.161 60 I CA 0.530 61.829 61.300 -0.002 0.000 1.415 60 I CB 0.069 38.066 38.000 -0.005 0.000 1.385 60 I HN 0.845 nan 8.210 nan 0.000 0.552 61 A N 7.532 130.357 122.820 0.007 0.000 1.862 61 A HA 0.180 4.499 4.320 -0.000 0.000 0.211 61 A C 0.740 178.329 177.584 0.008 0.000 1.220 61 A CA 0.626 52.666 52.037 0.006 0.000 0.616 61 A CB 0.098 19.106 19.000 0.012 0.000 0.878 61 A HN 0.453 nan 8.150 nan 0.000 0.453 62 V N 1.660 121.590 119.914 0.026 0.000 2.487 62 V HA 0.386 4.506 4.120 -0.000 0.000 0.298 62 V C -2.516 173.608 176.094 0.050 0.000 1.028 62 V CA -1.954 60.368 62.300 0.036 0.000 0.860 62 V CB 1.629 33.490 31.823 0.063 0.000 0.991 62 V HN 0.325 nan 8.190 nan 0.000 0.427 63 P HA 0.195 nan 4.420 nan 0.000 0.286 63 P C -0.821 176.522 177.300 0.071 0.000 1.293 63 P CA -0.666 62.453 63.100 0.031 0.000 0.770 63 P CB 1.122 32.817 31.700 -0.008 0.000 1.206 64 K N 0.597 121.042 120.400 0.074 0.000 2.184 64 K HA 0.298 4.618 4.320 -0.000 0.000 0.259 64 K C -1.020 175.628 176.600 0.080 0.000 1.119 64 K CA -0.426 55.923 56.287 0.103 0.000 0.991 64 K CB -0.430 32.139 32.500 0.114 0.000 1.522 64 K HN 0.112 nan 8.250 nan 0.000 0.405 65 V N 3.194 123.146 119.914 0.064 0.000 2.270 65 V HA 0.115 4.235 4.120 -0.000 0.000 0.263 65 V C 0.118 176.215 176.094 0.005 0.000 1.066 65 V CA -0.489 61.824 62.300 0.023 0.000 0.857 65 V CB 0.599 32.420 31.823 -0.003 0.000 1.099 65 V HN 0.611 nan 8.190 nan 0.000 0.476 66 S N 3.267 119.003 115.700 0.060 0.000 2.638 66 S HA 0.641 5.111 4.470 -0.000 0.000 0.298 66 S C 1.267 175.932 174.600 0.107 0.000 1.111 66 S CA 0.147 58.450 58.200 0.173 0.000 1.027 66 S CB 1.801 65.130 63.200 0.215 0.000 1.064 66 S HN 0.770 nan 8.310 nan 0.000 0.525 67 G N 1.690 110.652 108.800 0.270 0.000 2.985 67 G HA2 0.174 4.134 3.960 -0.000 0.000 0.209 67 G HA3 0.174 4.134 3.960 -0.000 0.000 0.209 67 G C 0.403 175.412 174.900 0.182 0.000 1.165 67 G CA 0.026 45.271 45.100 0.242 0.000 0.776 67 G HN 0.606 nan 8.290 nan 0.000 0.541 68 L N 0.684 122.020 121.223 0.188 0.000 3.036 68 L HA 0.375 4.715 4.340 -0.000 0.000 0.237 68 L C 0.309 177.237 176.870 0.097 0.000 1.319 68 L CA 0.042 54.975 54.840 0.155 0.000 1.112 68 L CB 0.149 42.356 42.059 0.246 0.000 1.480 68 L HN 0.109 nan 8.230 nan 0.000 0.506 69 Q N -1.012 118.823 119.800 0.059 0.000 2.397 69 Q HA 0.403 4.743 4.340 -0.000 0.000 0.275 69 Q C -1.437 174.579 176.000 0.027 0.000 1.090 69 Q CA -0.859 54.996 55.803 0.087 0.000 0.809 69 Q CB 2.854 31.658 28.738 0.111 0.000 1.362 69 Q HN 0.036 nan 8.270 nan 0.000 0.431 70 Y N 0.833 121.154 120.300 0.034 0.000 2.299 70 Y HA 0.220 4.770 4.550 -0.000 0.000 0.326 70 Y C 0.392 176.242 175.900 -0.082 0.000 1.164 70 Y CA -0.161 57.940 58.100 0.002 0.000 1.234 70 Y CB 0.847 39.310 38.460 0.005 0.000 1.219 70 Y HN 0.210 nan 8.280 nan 0.000 0.497 71 R N 3.374 123.849 120.500 -0.040 0.000 2.937 71 R HA 0.257 4.597 4.340 -0.000 0.000 0.264 71 R C -1.469 174.530 176.300 -0.502 0.000 1.334 71 R CA -0.526 55.299 56.100 -0.460 0.000 1.516 71 R CB -0.086 29.688 30.300 -0.877 0.000 1.187 71 R HN 0.378 nan 8.270 nan 0.000 0.609 72 V N 3.965 123.728 119.914 -0.252 0.000 2.387 72 V HA 0.246 4.366 4.120 -0.000 0.000 0.260 72 V C 0.319 176.229 176.094 -0.307 0.000 1.054 72 V CA -0.284 61.923 62.300 -0.154 0.000 0.967 72 V CB -0.449 31.400 31.823 0.043 0.000 1.036 72 V HN 0.262 nan 8.190 nan 0.000 0.481 73 F N 3.746 123.643 119.950 -0.089 0.000 2.404 73 F HA 0.527 5.054 4.527 -0.000 0.000 0.345 73 F C 0.776 176.396 175.800 -0.300 0.000 1.110 73 F CA -0.510 57.409 58.000 -0.135 0.000 1.130 73 F CB 0.983 39.871 39.000 -0.187 0.000 1.129 73 F HN 0.339 nan 8.300 nan 0.000 0.500 74 R N 3.045 123.453 120.500 -0.153 0.000 2.215 74 R HA 0.565 4.905 4.340 -0.000 0.000 0.336 74 R C -1.596 174.537 176.300 -0.279 0.000 0.996 74 R CA -0.429 55.298 56.100 -0.622 0.000 0.847 74 R CB 0.786 30.844 30.300 -0.402 0.000 1.127 74 R HN 0.561 nan 8.270 nan 0.000 0.465 75 V N 5.311 125.038 119.914 -0.312 0.000 2.394 75 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 75 V C 0.097 176.082 176.094 -0.181 0.000 1.031 75 V CA -0.794 61.399 62.300 -0.178 0.000 0.881 75 V CB 1.440 33.124 31.823 -0.232 0.000 0.982 75 V HN 0.579 nan 8.190 nan 0.000 0.451 76 K N 4.941 125.273 120.400 -0.113 0.000 2.201 76 K HA 0.612 4.932 4.320 -0.000 0.000 0.278 76 K C -0.863 175.648 176.600 -0.149 0.000 1.027 76 K CA -0.218 56.010 56.287 -0.098 0.000 0.909 76 K CB 1.504 33.977 32.500 -0.046 0.000 1.062 76 K HN 0.544 nan 8.250 nan 0.000 0.465 77 L N 5.208 126.315 121.223 -0.194 0.000 2.346 77 L HA 0.455 4.795 4.340 -0.000 0.000 0.274 77 L C -2.065 174.583 176.870 -0.369 0.000 1.007 77 L CA -2.261 52.358 54.840 -0.369 0.000 0.818 77 L CB 2.061 43.865 42.059 -0.425 0.000 1.284 77 L HN 0.374 nan 8.230 nan 0.000 0.424 78 P HA -0.028 nan 4.420 nan 0.000 0.271 78 P C -1.033 176.130 177.300 -0.229 0.000 1.218 78 P CA -0.220 62.613 63.100 -0.444 0.000 0.780 78 P CB 0.755 31.954 31.700 -0.835 0.000 0.901 79 D N 4.483 124.842 120.400 -0.068 0.000 2.342 79 D HA 0.025 4.665 4.640 -0.000 0.000 0.260 79 D C -1.130 175.164 176.300 -0.011 0.000 1.278 79 D CA -1.874 52.133 54.000 0.012 0.000 0.910 79 D CB 0.611 41.450 40.800 0.066 0.000 1.079 79 D HN 0.194 nan 8.370 nan 0.000 0.496 80 P HA -0.143 nan 4.420 nan 0.000 0.226 80 P C 0.717 178.060 177.300 0.071 0.000 1.146 80 P CA 0.630 63.639 63.100 -0.153 0.000 0.773 80 P CB 0.495 31.663 31.700 -0.886 0.000 0.772 81 N N 0.792 119.505 118.700 0.022 0.000 2.173 81 N HA -0.057 4.683 4.740 -0.000 0.000 0.184 81 N C 1.663 177.237 175.510 0.107 0.000 1.025 81 N CA 1.064 54.149 53.050 0.058 0.000 0.852 81 N CB -0.255 38.253 38.487 0.035 0.000 0.998 81 N HN 0.309 nan 8.380 nan 0.000 0.427 82 K N 0.055 120.524 120.400 0.116 0.000 2.097 82 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 82 K C 0.766 177.443 176.600 0.128 0.000 1.049 82 K CA 0.526 56.880 56.287 0.113 0.000 0.933 82 K CB -0.186 32.386 32.500 0.119 0.000 0.717 82 K HN -0.016 nan 8.250 nan 0.000 0.442 83 F N 0.886 120.786 119.950 -0.083 0.000 2.532 83 F HA 0.187 4.714 4.527 -0.000 0.000 0.323 83 F C 1.109 176.677 175.800 -0.386 0.000 1.234 83 F CA 0.136 57.979 58.000 -0.261 0.000 1.323 83 F CB 0.542 39.366 39.000 -0.293 0.000 1.183 83 F HN -0.034 nan 8.300 nan 0.000 0.589 84 G N 1.952 110.409 108.800 -0.571 0.000 2.683 84 G HA2 0.555 4.515 3.960 -0.000 0.000 0.299 84 G HA3 0.555 4.515 3.960 -0.000 0.000 0.299 84 G C -1.865 172.670 174.900 -0.609 0.000 1.432 84 G CA -0.415 44.450 45.100 -0.391 0.000 0.978 84 G HN 0.314 nan 8.290 nan 0.000 0.513 85 F N 2.603 122.583 119.950 0.049 0.000 2.458 85 F HA 0.522 5.049 4.527 -0.000 0.000 0.330 85 F C -0.996 174.813 175.800 0.014 0.000 1.082 85 F CA -2.176 55.857 58.000 0.054 0.000 0.995 85 F CB 2.698 41.716 39.000 0.031 0.000 1.170 85 F HN 0.318 nan 8.300 nan 0.000 0.478 86 P HA -0.002 nan 4.420 nan 0.000 0.226 86 P C 0.613 177.920 177.300 0.011 0.000 1.160 86 P CA 0.825 63.973 63.100 0.080 0.000 0.837 86 P CB 0.325 32.075 31.700 0.084 0.000 0.860 87 D N 0.608 121.036 120.400 0.045 0.000 2.336 87 D HA -0.038 4.602 4.640 -0.000 0.000 0.229 87 D C 0.515 176.629 176.300 -0.310 0.000 1.061 87 D CA 0.660 54.610 54.000 -0.083 0.000 0.875 87 D CB -0.477 40.368 40.800 0.076 0.000 0.904 87 D HN 0.117 nan 8.370 nan 0.000 0.525 88 T N -2.415 112.027 114.554 -0.187 0.000 3.240 88 T HA 0.168 4.518 4.350 -0.000 0.000 0.248 88 T C 1.336 175.969 174.700 -0.113 0.000 0.929 88 T CA -0.053 61.958 62.100 -0.148 0.000 0.939 88 T CB 0.051 68.900 68.868 -0.033 0.000 1.114 88 T HN -0.044 nan 8.240 nan 0.000 0.558 89 S N 0.987 116.406 115.700 -0.469 0.000 2.458 89 S HA 0.083 4.553 4.470 -0.000 0.000 0.223 89 S C 0.949 175.457 174.600 -0.153 0.000 1.019 89 S CA -0.388 57.645 58.200 -0.278 0.000 0.937 89 S CB -0.753 62.295 63.200 -0.253 0.000 0.788 89 S HN 0.669 nan 8.310 nan 0.000 0.511 90 F N 0.672 120.686 119.950 0.106 0.000 2.819 90 F HA 0.596 5.123 4.527 -0.000 0.000 0.294 90 F C -0.214 175.662 175.800 0.126 0.000 1.166 90 F CA -2.576 55.472 58.000 0.081 0.000 1.374 90 F CB -1.082 37.954 39.000 0.061 0.000 0.956 90 F HN 0.168 nan 8.300 nan 0.000 0.509 91 Y N 1.488 121.852 120.300 0.107 0.000 2.376 91 Y HA 0.595 5.145 4.550 -0.000 0.000 0.340 91 Y C -1.488 174.424 175.900 0.019 0.000 0.965 91 Y CA -2.257 55.883 58.100 0.067 0.000 1.078 91 Y CB 1.398 39.861 38.460 0.005 0.000 1.193 91 Y HN 0.138 nan 8.280 nan 0.000 0.452 92 D N 8.333 128.397 120.400 -0.561 0.000 2.414 92 D HA 0.366 5.006 4.640 -0.000 0.000 0.232 92 D C -2.090 173.705 176.300 -0.841 0.000 1.070 92 D CA -2.746 50.912 54.000 -0.569 0.000 0.839 92 D CB 2.062 42.717 40.800 -0.241 0.000 1.079 92 D HN 0.387 nan 8.370 nan 0.000 0.521 93 P HA -0.113 nan 4.420 nan 0.000 0.225 93 P C 0.920 178.078 177.300 -0.237 0.000 1.148 93 P CA 0.565 63.386 63.100 -0.465 0.000 0.779 93 P CB 0.328 31.889 31.700 -0.232 0.000 0.780 94 A N 1.226 123.919 122.820 -0.211 0.000 1.873 94 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 94 A C 2.342 179.869 177.584 -0.094 0.000 1.186 94 A CA 2.367 54.334 52.037 -0.116 0.000 0.616 94 A CB -1.085 17.858 19.000 -0.094 0.000 0.823 94 A HN 0.403 nan 8.150 nan 0.000 0.442 95 S N -1.849 113.783 115.700 -0.112 0.000 2.520 95 S HA 0.232 4.702 4.470 -0.000 0.000 0.219 95 S C 0.621 175.185 174.600 -0.059 0.000 1.028 95 S CA -0.432 57.730 58.200 -0.064 0.000 0.921 95 S CB 0.001 63.175 63.200 -0.043 0.000 0.844 95 S HN 0.583 nan 8.310 nan 0.000 0.495 96 Q N 0.749 120.493 119.800 -0.093 0.000 2.257 96 Q HA 0.614 4.954 4.340 -0.000 0.000 0.262 96 Q C -0.503 175.497 176.000 -0.001 0.000 0.997 96 Q CA -0.963 54.841 55.803 0.001 0.000 0.873 96 Q CB 1.272 30.090 28.738 0.134 0.000 1.312 96 Q HN 0.101 nan 8.270 nan 0.000 0.450 97 R N 0.568 120.966 120.500 -0.170 0.000 3.084 97 R HA 0.670 5.010 4.340 -0.000 0.000 0.234 97 R C -0.861 175.186 176.300 -0.423 0.000 1.433 97 R CA -0.874 54.934 56.100 -0.487 0.000 1.053 97 R CB 0.840 30.283 30.300 -1.428 0.000 1.449 97 R HN 0.541 nan 8.270 nan 0.000 0.505 98 L N 0.435 121.366 121.223 -0.487 0.000 2.422 98 L HA 0.657 4.997 4.340 -0.000 0.000 0.264 98 L C -0.840 175.899 176.870 -0.217 0.000 0.984 98 L CA -1.022 53.575 54.840 -0.405 0.000 0.819 98 L CB 2.403 44.132 42.059 -0.550 0.000 1.330 98 L HN 0.149 nan 8.230 nan 0.000 0.410 99 V N -0.410 119.345 119.914 -0.264 0.000 3.007 99 V HA 0.436 4.556 4.120 -0.000 0.000 0.311 99 V C -1.349 174.529 176.094 -0.361 0.000 1.120 99 V CA -0.808 61.398 62.300 -0.157 0.000 0.980 99 V CB 2.282 34.068 31.823 -0.062 0.000 1.033 99 V HN 0.637 nan 8.190 nan 0.000 0.429 100 W N 1.470 122.681 121.300 -0.148 0.000 2.361 100 W HA 0.710 5.370 4.660 -0.000 0.000 0.309 100 W C 0.197 176.669 176.519 -0.078 0.000 1.122 100 W CA -0.363 56.881 57.345 -0.168 0.000 1.208 100 W CB 1.549 30.802 29.460 -0.345 0.000 1.246 100 W HN 0.714 nan 8.180 nan 0.000 0.490 101 A N 3.808 126.782 122.820 0.257 0.000 2.256 101 A HA 0.431 4.751 4.320 -0.000 0.000 0.317 101 A C -0.539 177.200 177.584 0.259 0.000 1.318 101 A CA -0.637 51.474 52.037 0.124 0.000 0.894 101 A CB 0.251 19.248 19.000 -0.005 0.000 1.165 101 A HN 0.785 nan 8.150 nan 0.000 0.525 102 C N 2.864 122.310 119.300 0.244 0.000 2.632 102 C HA 0.500 4.960 4.460 -0.000 0.000 0.415 102 C C 1.401 176.356 174.990 -0.059 0.000 1.332 102 C CA 0.845 59.910 59.018 0.078 0.000 1.874 102 C CB -0.478 27.304 27.740 0.071 0.000 2.596 102 C HN 0.893 nan 8.230 nan 0.000 0.590 103 T N 3.436 117.941 114.554 -0.082 0.000 3.174 103 T HA 0.367 4.717 4.350 -0.000 0.000 0.252 103 T C 0.560 175.357 174.700 0.161 0.000 0.984 103 T CA 0.706 62.844 62.100 0.064 0.000 1.113 103 T CB 0.272 69.215 68.868 0.124 0.000 1.088 103 T HN 0.930 nan 8.240 nan 0.000 0.442 104 G N 0.809 109.617 108.800 0.012 0.000 2.682 104 G HA2 0.602 4.562 3.960 -0.000 0.000 0.300 104 G HA3 0.602 4.562 3.960 -0.000 0.000 0.300 104 G C -1.761 172.894 174.900 -0.409 0.000 1.391 104 G CA -0.309 44.733 45.100 -0.096 0.000 0.990 104 G HN 0.190 nan 8.290 nan 0.000 0.501 105 V N 1.124 120.726 119.914 -0.520 0.000 2.735 105 V HA 0.677 4.797 4.120 -0.000 0.000 0.310 105 V C -0.753 174.891 176.094 -0.749 0.000 1.061 105 V CA -0.835 61.106 62.300 -0.598 0.000 0.913 105 V CB 2.115 33.746 31.823 -0.321 0.000 1.005 105 V HN 0.720 nan 8.190 nan 0.000 0.428 106 E N 2.274 121.978 120.200 -0.826 0.000 2.265 106 E HA 0.396 4.746 4.350 -0.000 0.000 0.262 106 E C -1.565 174.669 176.600 -0.609 0.000 0.889 106 E CA -0.305 55.648 56.400 -0.745 0.000 0.789 106 E CB 2.330 31.674 29.700 -0.592 0.000 1.221 106 E HN 0.404 nan 8.360 nan 0.000 0.414 107 V N 3.618 123.246 119.914 -0.477 0.000 2.219 107 V HA 0.235 4.355 4.120 -0.000 0.000 0.267 107 V C 0.783 176.718 176.094 -0.265 0.000 1.266 107 V CA -0.347 61.767 62.300 -0.311 0.000 1.270 107 V CB 0.590 32.344 31.823 -0.115 0.000 1.356 107 V HN 0.678 nan 8.190 nan 0.000 0.490 108 G N 3.368 112.009 108.800 -0.265 0.000 2.178 108 G HA2 0.082 4.042 3.960 -0.000 0.000 0.244 108 G HA3 0.082 4.042 3.960 -0.000 0.000 0.244 108 G C 0.179 174.914 174.900 -0.274 0.000 1.213 108 G CA -0.144 44.830 45.100 -0.210 0.000 0.912 108 G HN 0.408 nan 8.290 nan 0.000 0.474 109 R N 1.755 122.091 120.500 -0.273 0.000 2.407 109 R HA 0.609 4.949 4.340 -0.000 0.000 0.303 109 R C 0.528 176.696 176.300 -0.220 0.000 0.981 109 R CA -0.298 55.570 56.100 -0.387 0.000 0.905 109 R CB 1.820 31.895 30.300 -0.375 0.000 1.099 109 R HN 0.594 nan 8.270 nan 0.000 0.459 110 G N 0.448 109.123 108.800 -0.208 0.000 3.108 110 G HA2 0.479 4.439 3.960 -0.000 0.000 0.268 110 G HA3 0.479 4.439 3.960 -0.000 0.000 0.268 110 G C -1.178 173.684 174.900 -0.062 0.000 1.361 110 G CA -0.392 44.651 45.100 -0.095 0.000 1.047 110 G HN 0.379 nan 8.290 nan 0.000 0.540 111 Q N -1.328 118.462 119.800 -0.016 0.000 3.243 111 Q HA -0.124 4.216 4.340 -0.000 0.000 0.024 111 Q C -2.626 173.379 176.000 0.008 0.000 1.715 111 Q CA 0.327 56.136 55.803 0.011 0.000 0.236 111 Q CB -1.508 27.253 28.738 0.039 0.000 0.647 111 Q HN 0.639 nan 8.270 nan 0.000 0.322 112 P HA 0.293 nan 4.420 nan 0.000 0.278 112 P C -0.014 177.299 177.300 0.021 0.000 1.238 112 P CA -0.594 62.514 63.100 0.014 0.000 0.794 112 P CB 0.593 32.299 31.700 0.010 0.000 0.955 113 L N 1.704 122.941 121.223 0.024 0.000 2.492 113 L HA 0.457 4.797 4.340 -0.000 0.000 0.280 113 L C 1.337 178.223 176.870 0.027 0.000 1.240 113 L CA 1.983 56.844 54.840 0.035 0.000 0.831 113 L CB -0.387 41.693 42.059 0.035 0.000 1.100 113 L HN 0.869 nan 8.230 nan 0.000 0.505 114 G N 0.343 109.161 108.800 0.031 0.000 2.320 114 G HA2 0.488 4.448 3.960 -0.000 0.000 0.297 114 G HA3 0.488 4.448 3.960 -0.000 0.000 0.297 114 G C -1.701 173.211 174.900 0.020 0.000 1.344 114 G CA -0.153 44.955 45.100 0.014 0.000 0.851 114 G HN 0.886 nan 8.290 nan 0.000 0.567 115 V N -1.904 118.012 119.914 0.004 0.000 3.102 115 V HA 1.069 5.189 4.120 -0.000 0.000 0.312 115 V C 0.576 176.659 176.094 -0.019 0.000 1.135 115 V CA 0.293 62.600 62.300 0.012 0.000 1.022 115 V CB 1.517 33.355 31.823 0.024 0.000 1.056 115 V HN 2.041 nan 8.190 nan 0.000 0.436 116 G N 0.418 109.217 108.800 -0.002 0.000 2.938 116 G HA2 0.839 4.799 3.960 -0.000 0.000 0.258 116 G HA3 0.839 4.799 3.960 -0.000 0.000 0.258 116 G C -0.927 173.955 174.900 -0.030 0.000 1.356 116 G CA -0.346 44.739 45.100 -0.025 0.000 1.052 116 G HN 1.797 nan 8.290 nan 0.000 0.550 117 I N -1.136 119.420 120.570 -0.024 0.000 2.735 117 I HA 0.521 4.690 4.170 -0.000 0.000 0.287 117 I C -1.417 174.654 176.117 -0.077 0.000 1.452 117 I CA -0.444 60.806 61.300 -0.083 0.000 1.061 117 I CB 1.579 39.555 38.000 -0.040 0.000 1.383 117 I HN 0.460 nan 8.210 nan 0.000 0.425 118 S N 4.426 119.943 115.700 -0.305 0.000 2.568 118 S HA 1.006 5.476 4.470 -0.000 0.000 0.293 118 S C -0.165 174.215 174.600 -0.367 0.000 1.089 118 S CA -0.356 57.599 58.200 -0.408 0.000 0.945 118 S CB 1.894 64.798 63.200 -0.494 0.000 1.077 118 S HN 1.046 nan 8.310 nan 0.000 0.485 119 G N 0.287 108.845 108.800 -0.403 0.000 2.911 119 G HA2 0.638 4.598 3.960 -0.000 0.000 0.299 119 G HA3 0.638 4.598 3.960 -0.000 0.000 0.299 119 G C -1.885 172.946 174.900 -0.115 0.000 1.283 119 G CA -0.412 44.578 45.100 -0.182 0.000 0.805 119 G HN 0.690 nan 8.290 nan 0.000 0.548 120 H N 0.070 119.055 119.070 -0.141 0.000 3.289 120 H HA 0.274 4.830 4.556 -0.000 0.000 0.330 120 H C -2.326 172.966 175.328 -0.061 0.000 1.187 120 H CA -0.971 55.015 56.048 -0.104 0.000 1.601 120 H CB 2.566 32.262 29.762 -0.110 0.000 1.997 120 H HN 0.131 nan 8.280 nan 0.000 0.489 121 P HA -0.112 nan 4.420 nan 0.000 0.217 121 P C 0.344 177.713 177.300 0.115 0.000 1.148 121 P CA 1.291 64.395 63.100 0.006 0.000 0.834 121 P CB 0.293 31.953 31.700 -0.066 0.000 0.783 122 L N -1.959 119.474 121.223 0.350 0.000 2.678 122 L HA 0.273 4.613 4.340 -0.000 0.000 0.250 122 L C -0.170 176.817 176.870 0.196 0.000 1.455 122 L CA -0.823 54.175 54.840 0.264 0.000 0.823 122 L CB 0.524 42.689 42.059 0.177 0.000 1.107 122 L HN -0.124 nan 8.230 nan 0.000 0.514 123 L N 1.235 122.514 121.223 0.093 0.000 2.426 123 L HA 0.220 4.560 4.340 -0.000 0.000 0.271 123 L C 0.612 177.402 176.870 -0.133 0.000 1.169 123 L CA 0.330 55.052 54.840 -0.197 0.000 0.836 123 L CB 0.634 42.638 42.059 -0.091 0.000 1.112 123 L HN 0.278 nan 8.230 nan 0.000 0.465 124 N N 4.536 123.118 118.700 -0.196 0.000 2.448 124 N HA 0.168 4.908 4.740 -0.000 0.000 0.250 124 N C -1.179 174.328 175.510 -0.005 0.000 1.136 124 N CA 0.046 53.029 53.050 -0.113 0.000 0.953 124 N CB -0.001 38.390 38.487 -0.160 0.000 1.251 124 N HN 0.402 nan 8.380 nan 0.000 0.502 125 K N 5.146 125.566 120.400 0.034 0.000 2.637 125 K HA 0.126 4.446 4.320 -0.000 0.000 0.248 125 K C -0.391 176.255 176.600 0.076 0.000 0.971 125 K CA -0.570 55.769 56.287 0.086 0.000 0.858 125 K CB 0.919 33.316 32.500 -0.171 0.000 1.170 125 K HN 0.362 nan 8.250 nan 0.000 0.443 126 L N 3.593 124.908 121.223 0.152 0.000 1.890 126 L HA 0.105 4.445 4.340 -0.000 0.000 0.219 126 L C -0.108 176.850 176.870 0.147 0.000 1.104 126 L CA 1.966 56.882 54.840 0.126 0.000 0.792 126 L CB -0.129 42.007 42.059 0.127 0.000 0.887 126 L HN 0.852 nan 8.230 nan 0.000 0.432 127 D N -2.419 118.101 120.400 0.201 0.000 2.636 127 D HA 0.298 4.938 4.640 -0.000 0.000 0.275 127 D C -1.510 174.983 176.300 0.321 0.000 1.130 127 D CA -0.555 53.577 54.000 0.220 0.000 1.031 127 D CB 0.399 41.293 40.800 0.156 0.000 1.451 127 D HN 0.138 nan 8.370 nan 0.000 0.505 128 D N -0.480 120.082 120.400 0.271 0.000 2.479 128 D HA 0.194 4.834 4.640 -0.000 0.000 0.218 128 D C 0.294 176.601 176.300 0.012 0.000 1.131 128 D CA -0.518 53.567 54.000 0.141 0.000 0.916 128 D CB 0.211 41.088 40.800 0.129 0.000 1.022 128 D HN 0.370 nan 8.370 nan 0.000 0.515 129 T N 0.114 114.671 114.554 0.005 0.000 3.565 129 T HA 0.032 4.382 4.350 -0.000 0.000 0.248 129 T C 1.054 175.698 174.700 -0.094 0.000 1.033 129 T CA -0.167 61.940 62.100 0.011 0.000 0.952 129 T CB -0.007 68.949 68.868 0.147 0.000 1.072 129 T HN 0.494 nan 8.240 nan 0.000 0.609 130 E N 1.171 121.282 120.200 -0.148 0.000 2.307 130 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 130 E C 0.583 177.108 176.600 -0.124 0.000 0.975 130 E CA 0.120 56.411 56.400 -0.183 0.000 0.878 130 E CB 0.344 29.883 29.700 -0.268 0.000 0.845 130 E HN 0.478 nan 8.360 nan 0.000 0.488 131 N N 0.154 118.803 118.700 -0.086 0.000 3.054 131 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 131 N C -1.442 174.052 175.510 -0.026 0.000 1.267 131 N CA 0.098 53.114 53.050 -0.057 0.000 1.495 131 N CB 0.115 38.561 38.487 -0.068 0.000 1.612 131 N HN 0.032 nan 8.380 nan 0.000 0.625 132 S N 0.118 115.815 115.700 -0.005 0.000 2.563 132 S HA 0.100 4.570 4.470 -0.000 0.000 0.269 132 S C 1.203 175.819 174.600 0.026 0.000 1.364 132 S CA 0.469 58.686 58.200 0.027 0.000 1.010 132 S CB 0.450 63.686 63.200 0.059 0.000 0.877 132 S HN 0.511 nan 8.310 nan 0.000 0.549 133 N N 1.500 120.222 118.700 0.036 0.000 2.176 133 N HA 0.094 4.834 4.740 -0.000 0.000 0.187 133 N C 0.492 176.026 175.510 0.041 0.000 1.043 133 N CA 0.399 53.468 53.050 0.031 0.000 0.851 133 N CB 0.000 38.504 38.487 0.029 0.000 1.018 133 N HN 0.471 nan 8.380 nan 0.000 0.436 134 K N -0.504 119.930 120.400 0.057 0.000 1.790 134 K HA 0.227 4.547 4.320 -0.000 0.000 0.263 134 K C -1.539 175.147 176.600 0.145 0.000 0.838 134 K CA -0.521 55.815 56.287 0.082 0.000 0.662 134 K CB 0.264 32.795 32.500 0.052 0.000 2.216 134 K HN -0.011 nan 8.250 nan 0.000 0.769 135 Y N 1.721 122.031 120.300 0.017 0.000 2.317 135 Y HA 0.381 4.931 4.550 -0.000 0.000 0.325 135 Y C -1.327 174.583 175.900 0.017 0.000 1.066 135 Y CA -0.921 57.190 58.100 0.017 0.000 1.203 135 Y CB 0.720 39.189 38.460 0.014 0.000 1.127 135 Y HN 0.171 nan 8.280 nan 0.000 0.451 136 V N 5.512 125.153 119.914 -0.456 0.000 2.644 136 V HA 0.677 4.797 4.120 -0.000 0.000 0.295 136 V C 1.154 176.834 176.094 -0.690 0.000 1.053 136 V CA -0.168 61.851 62.300 -0.469 0.000 0.987 136 V CB 1.171 32.885 31.823 -0.181 0.000 1.006 136 V HN 0.964 nan 8.190 nan 0.000 0.472 137 G N 2.190 110.700 108.800 -0.484 0.000 2.590 137 G HA2 0.018 3.978 3.960 -0.000 0.000 0.276 137 G HA3 0.018 3.978 3.960 -0.000 0.000 0.276 137 G C 0.019 174.848 174.900 -0.119 0.000 1.337 137 G CA -0.563 44.345 45.100 -0.319 0.000 1.030 137 G HN 0.794 nan 8.290 nan 0.000 0.534 138 N N 0.417 119.112 118.700 -0.009 0.000 2.417 138 N HA 0.220 4.960 4.740 -0.000 0.000 0.272 138 N C 0.821 176.334 175.510 0.006 0.000 1.304 138 N CA 0.331 53.399 53.050 0.030 0.000 0.906 138 N CB 0.566 39.077 38.487 0.040 0.000 1.135 138 N HN 0.601 nan 8.380 nan 0.000 0.483 139 S N 0.646 116.354 115.700 0.013 0.000 2.592 139 S HA 0.285 4.755 4.470 -0.000 0.000 0.256 139 S C 1.223 175.827 174.600 0.008 0.000 1.369 139 S CA -0.387 57.817 58.200 0.007 0.000 0.984 139 S CB 0.443 63.655 63.200 0.019 0.000 0.919 139 S HN 0.521 nan 8.310 nan 0.000 0.576 140 G N -0.303 108.501 108.800 0.006 0.000 2.873 140 G HA2 0.478 4.438 3.960 -0.000 0.000 0.170 140 G HA3 0.478 4.438 3.960 -0.000 0.000 0.170 140 G C -0.511 174.393 174.900 0.008 0.000 1.608 140 G CA -0.340 44.764 45.100 0.006 0.000 1.084 140 G HN 0.758 nan 8.290 nan 0.000 0.563 141 T N 0.379 114.938 114.554 0.007 0.000 2.856 141 T HA 0.458 4.808 4.350 -0.000 0.000 0.283 141 T C -0.982 173.723 174.700 0.008 0.000 1.008 141 T CA 0.308 62.412 62.100 0.007 0.000 0.997 141 T CB 1.422 70.293 68.868 0.005 0.000 0.992 141 T HN 0.609 nan 8.240 nan 0.000 0.454 142 D N 2.271 122.676 120.400 0.008 0.000 3.620 142 D HA -0.147 4.493 4.640 -0.000 0.000 0.237 142 D C -0.233 176.074 176.300 0.011 0.000 1.111 142 D CA 0.398 54.404 54.000 0.009 0.000 1.070 142 D CB -0.941 39.865 40.800 0.009 0.000 0.891 142 D HN 0.601 nan 8.370 nan 0.000 0.412 143 N N 1.526 120.234 118.700 0.013 0.000 2.321 143 N HA 0.134 4.874 4.740 -0.000 0.000 0.242 143 N C 0.117 175.636 175.510 0.015 0.000 1.141 143 N CA -0.438 52.623 53.050 0.017 0.000 0.864 143 N CB 0.506 39.008 38.487 0.024 0.000 1.100 143 N HN 0.257 nan 8.380 nan 0.000 0.510 144 R N 1.451 121.958 120.500 0.011 0.000 2.694 144 R HA 0.178 4.518 4.340 -0.000 0.000 0.268 144 R C 0.210 176.517 176.300 0.012 0.000 1.061 144 R CA 0.268 56.372 56.100 0.006 0.000 1.133 144 R CB 0.370 30.678 30.300 0.013 0.000 1.020 144 R HN 0.409 nan 8.270 nan 0.000 0.475 145 E N 0.317 120.520 120.200 0.005 0.000 2.413 145 E HA 0.141 4.491 4.350 -0.000 0.000 0.277 145 E C -1.218 175.393 176.600 0.018 0.000 0.958 145 E CA -0.988 55.418 56.400 0.011 0.000 0.779 145 E CB 1.262 30.961 29.700 -0.001 0.000 1.278 145 E HN 0.464 nan 8.360 nan 0.000 0.456 146 C N 2.810 122.125 119.300 0.024 0.000 2.616 146 C HA 0.242 4.702 4.460 -0.000 0.000 0.402 146 C C -0.117 174.875 174.990 0.004 0.000 1.436 146 C CA 0.265 59.298 59.018 0.025 0.000 1.521 146 C CB -2.184 25.567 27.740 0.018 0.000 2.413 146 C HN 0.466 nan 8.230 nan 0.000 0.617 147 I N 6.564 127.135 120.570 0.001 0.000 2.607 147 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 147 I C 0.351 176.454 176.117 -0.024 0.000 1.129 147 I CA -0.095 61.190 61.300 -0.024 0.000 1.042 147 I CB 2.356 40.311 38.000 -0.074 0.000 1.242 147 I HN 0.683 nan 8.210 nan 0.000 0.421 148 S N 6.489 122.168 115.700 -0.035 0.000 2.690 148 S HA 0.907 5.377 4.470 -0.000 0.000 0.285 148 S C -0.363 174.201 174.600 -0.061 0.000 1.135 148 S CA -0.638 57.523 58.200 -0.065 0.000 1.020 148 S CB 1.906 65.071 63.200 -0.058 0.000 1.159 148 S HN 0.723 nan 8.310 nan 0.000 0.534 149 M N 0.072 119.604 119.600 -0.113 0.000 2.400 149 M HA 0.222 4.702 4.480 -0.000 0.000 0.241 149 M C -2.264 173.906 176.300 -0.216 0.000 0.946 149 M CA -0.717 54.519 55.300 -0.108 0.000 0.815 149 M CB 0.979 33.579 32.600 -0.001 0.000 2.182 149 M HN 0.767 nan 8.290 nan 0.000 0.487 150 D N 3.634 123.953 120.400 -0.135 0.000 2.425 150 D HA 0.235 4.875 4.640 -0.000 0.000 0.247 150 D C -1.090 175.197 176.300 -0.022 0.000 1.147 150 D CA 0.546 54.480 54.000 -0.110 0.000 0.879 150 D CB 0.918 41.687 40.800 -0.052 0.000 1.179 150 D HN 0.693 nan 8.370 nan 0.000 0.456 151 Y N 0.239 120.563 120.300 0.040 0.000 2.418 151 Y HA 0.139 4.689 4.550 -0.000 0.000 0.327 151 Y C 1.482 177.398 175.900 0.026 0.000 1.309 151 Y CA -1.316 56.822 58.100 0.063 0.000 1.423 151 Y CB 0.987 39.517 38.460 0.117 0.000 1.423 151 Y HN 0.289 nan 8.280 nan 0.000 0.532 152 K N 1.671 122.203 120.400 0.220 0.000 2.414 152 K HA -0.051 4.269 4.320 -0.000 0.000 0.272 152 K C -0.578 176.104 176.600 0.137 0.000 0.993 152 K CA -0.281 56.081 56.287 0.126 0.000 0.964 152 K CB 0.492 33.058 32.500 0.111 0.000 0.925 152 K HN 0.665 nan 8.250 nan 0.000 0.487 153 Q N 2.713 122.581 119.800 0.114 0.000 2.278 153 Q HA 0.248 4.588 4.340 -0.000 0.000 0.257 153 Q C -1.405 174.664 176.000 0.115 0.000 0.928 153 Q CA -0.504 55.369 55.803 0.117 0.000 0.932 153 Q CB 1.578 30.378 28.738 0.103 0.000 1.221 153 Q HN 0.605 nan 8.270 nan 0.000 0.434 154 T N 3.392 118.019 114.554 0.122 0.000 2.907 154 T HA 0.423 4.773 4.350 -0.000 0.000 0.292 154 T C -0.829 173.948 174.700 0.128 0.000 1.043 154 T CA -0.774 61.399 62.100 0.121 0.000 1.003 154 T CB 1.711 70.658 68.868 0.132 0.000 1.084 154 T HN 0.657 nan 8.240 nan 0.000 0.483 155 Q N 1.814 121.684 119.800 0.116 0.000 3.412 155 Q HA 0.379 4.719 4.340 -0.000 0.000 0.219 155 Q C -0.941 175.137 176.000 0.130 0.000 0.913 155 Q CA -0.416 55.463 55.803 0.127 0.000 0.722 155 Q CB 0.742 29.448 28.738 -0.053 0.000 1.385 155 Q HN 0.624 nan 8.270 nan 0.000 0.461 156 L N -2.020 119.340 121.223 0.228 0.000 2.492 156 L HA 0.951 5.291 4.340 -0.000 0.000 0.263 156 L C -0.397 176.702 176.870 0.382 0.000 1.062 156 L CA -0.771 54.218 54.840 0.248 0.000 0.817 156 L CB 1.966 44.177 42.059 0.253 0.000 1.441 156 L HN 0.403 nan 8.230 nan 0.000 0.493 157 C N 1.479 120.983 119.300 0.341 0.000 3.127 157 C HA 0.500 4.960 4.460 -0.000 0.000 0.378 157 C C -0.872 174.335 174.990 0.362 0.000 0.961 157 C CA -0.712 58.555 59.018 0.415 0.000 1.266 157 C CB -1.129 26.956 27.740 0.575 0.000 1.594 157 C HN 0.802 nan 8.230 nan 0.000 0.571 158 L N 4.780 126.188 121.223 0.310 0.000 2.357 158 L HA 0.773 5.113 4.340 -0.000 0.000 0.273 158 L C -0.246 176.810 176.870 0.311 0.000 1.080 158 L CA -0.649 54.364 54.840 0.289 0.000 0.803 158 L CB 0.780 42.926 42.059 0.146 0.000 1.174 158 L HN 0.264 nan 8.230 nan 0.000 0.443 159 I N 1.846 122.632 120.570 0.360 0.000 2.410 159 I HA 0.689 4.859 4.170 -0.000 0.000 0.286 159 I C 0.422 176.535 176.117 -0.006 0.000 1.009 159 I CA -0.329 61.176 61.300 0.343 0.000 1.111 159 I CB 0.958 39.301 38.000 0.573 0.000 1.262 159 I HN 0.758 nan 8.210 nan 0.000 0.443 160 G N 3.314 111.989 108.800 -0.209 0.000 2.733 160 G HA2 0.468 4.428 3.960 -0.000 0.000 0.288 160 G HA3 0.468 4.428 3.960 -0.000 0.000 0.288 160 G C -0.087 174.654 174.900 -0.266 0.000 1.373 160 G CA -0.421 44.244 45.100 -0.725 0.000 0.895 160 G HN 0.650 nan 8.290 nan 0.000 0.479 161 C N -0.285 118.878 119.300 -0.228 0.000 2.778 161 C HA 0.651 5.111 4.460 -0.000 0.000 0.294 161 C C 0.355 175.376 174.990 0.050 0.000 1.331 161 C CA -0.830 58.274 59.018 0.143 0.000 1.741 161 C CB -1.664 26.237 27.740 0.268 0.000 2.106 161 C HN 0.477 nan 8.230 nan 0.000 0.603 162 R N 1.378 121.741 120.500 -0.230 0.000 2.698 162 R HA 0.523 4.863 4.340 -0.000 0.000 0.275 162 R C -3.060 172.669 176.300 -0.951 0.000 1.001 162 R CA -1.453 54.318 56.100 -0.548 0.000 0.896 162 R CB 1.758 31.877 30.300 -0.301 0.000 1.218 162 R HN 0.136 nan 8.270 nan 0.000 0.462 163 P HA 0.115 nan 4.420 nan 0.000 0.271 163 P C -2.413 174.584 177.300 -0.505 0.000 1.216 163 P CA -1.096 61.385 63.100 -1.032 0.000 0.776 163 P CB 0.461 31.653 31.700 -0.847 0.000 0.881 164 P HA 0.203 nan 4.420 nan 0.000 0.274 164 P C -0.202 176.934 177.300 -0.273 0.000 1.260 164 P CA -0.118 62.814 63.100 -0.280 0.000 0.793 164 P CB 0.617 32.178 31.700 -0.231 0.000 1.048 165 I N -3.265 117.150 120.570 -0.257 0.000 2.509 165 I HA 0.722 4.891 4.170 -0.000 0.000 0.293 165 I C 0.156 176.120 176.117 -0.255 0.000 1.020 165 I CA -1.017 60.140 61.300 -0.237 0.000 1.088 165 I CB 1.976 39.863 38.000 -0.189 0.000 1.267 165 I HN 0.265 nan 8.210 nan 0.000 0.430 166 G N 3.932 112.589 108.800 -0.238 0.000 2.537 166 G HA2 0.562 4.522 3.960 -0.000 0.000 0.273 166 G HA3 0.562 4.522 3.960 -0.000 0.000 0.273 166 G C -0.899 173.934 174.900 -0.111 0.000 1.189 166 G CA -0.546 44.424 45.100 -0.217 0.000 0.881 166 G HN 0.899 nan 8.290 nan 0.000 0.535 167 E N -0.563 119.600 120.200 -0.062 0.000 2.288 167 E HA 0.657 5.007 4.350 -0.000 0.000 0.268 167 E C -0.880 175.727 176.600 0.012 0.000 0.885 167 E CA -1.043 55.320 56.400 -0.062 0.000 0.767 167 E CB 2.166 31.792 29.700 -0.124 0.000 1.220 167 E HN 0.758 nan 8.360 nan 0.000 0.427 168 H N 0.498 119.463 119.070 -0.176 0.000 3.068 168 H HA 0.218 4.774 4.556 -0.000 0.000 0.342 168 H C -1.909 173.345 175.328 -0.123 0.000 1.284 168 H CA -1.238 54.746 56.048 -0.107 0.000 1.181 168 H CB 0.259 30.030 29.762 0.015 0.000 1.898 168 H HN 0.723 nan 8.280 nan 0.000 0.540 169 W N 1.802 123.000 121.300 -0.170 0.000 2.335 169 W HA 0.560 5.219 4.660 -0.000 0.000 0.306 169 W C 0.588 176.998 176.519 -0.181 0.000 1.216 169 W CA 0.127 57.352 57.345 -0.199 0.000 1.237 169 W CB 1.664 31.069 29.460 -0.092 0.000 1.243 169 W HN 0.850 nan 8.180 nan 0.000 0.493 170 G N 2.133 110.976 108.800 0.072 0.000 2.816 170 G HA2 0.393 4.353 3.960 -0.000 0.000 0.288 170 G HA3 0.393 4.353 3.960 -0.000 0.000 0.288 170 G C -1.593 173.359 174.900 0.087 0.000 1.334 170 G CA -1.142 44.008 45.100 0.084 0.000 0.978 170 G HN 0.274 nan 8.290 nan 0.000 0.493 171 K N 0.310 120.754 120.400 0.073 0.000 2.338 171 K HA 0.437 4.757 4.320 -0.000 0.000 0.290 171 K C 0.610 177.236 176.600 0.044 0.000 1.069 171 K CA -0.182 56.134 56.287 0.048 0.000 0.941 171 K CB 0.045 32.570 32.500 0.042 0.000 1.023 171 K HN 0.515 nan 8.250 nan 0.000 0.477 172 G N 2.478 111.302 108.800 0.040 0.000 2.476 172 G HA2 0.126 4.086 3.960 -0.000 0.000 0.269 172 G HA3 0.126 4.086 3.960 -0.000 0.000 0.269 172 G C -0.581 174.332 174.900 0.022 0.000 1.195 172 G CA -0.516 44.605 45.100 0.034 0.000 0.843 172 G HN 0.586 nan 8.290 nan 0.000 0.545 173 T N 3.612 118.178 114.554 0.020 0.000 2.832 173 T HA 0.377 4.727 4.350 -0.000 0.000 0.296 173 T C -1.343 173.364 174.700 0.012 0.000 0.968 173 T CA -0.489 61.620 62.100 0.014 0.000 1.107 173 T CB 1.264 70.139 68.868 0.013 0.000 0.916 173 T HN 0.494 nan 8.240 nan 0.000 0.517 174 P HA 0.228 nan 4.420 nan 0.000 0.273 174 P C -0.223 177.081 177.300 0.006 0.000 1.250 174 P CA -0.589 62.514 63.100 0.006 0.000 0.793 174 P CB 0.481 32.183 31.700 0.003 0.000 1.011 175 S N -0.435 115.268 115.700 0.005 0.000 2.652 175 S HA 0.114 4.584 4.470 -0.000 0.000 0.270 175 S C 0.624 175.227 174.600 0.004 0.000 1.243 175 S CA -0.881 57.322 58.200 0.005 0.000 0.999 175 S CB 0.036 63.239 63.200 0.005 0.000 0.973 175 S HN 0.512 nan 8.310 nan 0.000 0.544 176 N N 1.461 120.163 118.700 0.004 0.000 2.253 176 N HA 0.026 4.766 4.740 -0.000 0.000 0.291 176 N C 0.187 175.698 175.510 0.002 0.000 1.309 176 N CA 0.755 53.807 53.050 0.003 0.000 1.097 176 N CB -0.932 37.556 38.487 0.003 0.000 1.499 176 N HN 0.772 nan 8.380 nan 0.000 0.484 177 A N 3.271 126.092 122.820 0.002 0.000 2.434 177 A HA 0.252 4.572 4.320 -0.000 0.000 0.143 177 A C -0.703 176.881 177.584 0.001 0.000 1.465 177 A CA -0.434 51.604 52.037 0.001 0.000 2.728 177 A CB 0.236 19.237 19.000 0.001 0.000 3.027 177 A HN 0.487 nan 8.150 nan 0.000 1.274 178 N N 1.101 119.801 118.700 0.000 0.000 2.495 178 N HA 0.443 5.183 4.740 -0.000 0.000 0.280 178 N C -0.429 175.081 175.510 0.000 0.000 1.168 178 N CA -0.301 52.749 53.050 0.000 0.000 0.978 178 N CB 0.860 39.346 38.487 -0.000 0.000 1.191 178 N HN 0.541 nan 8.380 nan 0.000 0.497 179 Q N 1.627 121.427 119.800 0.000 0.000 2.389 179 Q HA 0.139 4.479 4.340 -0.000 0.000 0.244 179 Q C -0.757 175.243 176.000 -0.000 0.000 1.056 179 Q CA -0.457 55.346 55.803 0.000 0.000 0.908 179 Q CB 0.281 29.019 28.738 0.000 0.000 1.273 179 Q HN 0.477 nan 8.270 nan 0.000 0.471 180 V N 6.394 126.308 119.914 -0.000 0.000 2.359 180 V HA -0.151 3.969 4.120 -0.000 0.000 0.228 180 V C 0.950 177.043 176.094 -0.002 0.000 1.331 180 V CA 0.254 62.553 62.300 -0.002 0.000 1.419 180 V CB -1.888 29.933 31.823 -0.002 0.000 1.427 180 V HN 0.612 nan 8.190 nan 0.000 0.488 181 K N 2.496 122.895 120.400 -0.002 0.000 2.274 181 K HA 0.271 4.591 4.320 -0.000 0.000 0.255 181 K C 0.418 177.017 176.600 -0.002 0.000 1.005 181 K CA 0.477 56.763 56.287 -0.001 0.000 0.864 181 K CB 0.134 32.633 32.500 -0.001 0.000 1.013 181 K HN 0.440 nan 8.250 nan 0.000 0.519 182 A N -0.543 122.276 122.820 -0.001 0.000 2.466 182 A HA 0.436 4.756 4.320 -0.000 0.000 0.238 182 A C 1.320 178.902 177.584 -0.003 0.000 1.074 182 A CA 0.873 52.908 52.037 -0.002 0.000 0.774 182 A CB -0.818 18.182 19.000 -0.001 0.000 1.015 182 A HN 1.279 nan 8.150 nan 0.000 0.498 183 G N 0.408 109.205 108.800 -0.005 0.000 3.211 183 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.206 183 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.206 183 G C 0.272 175.167 174.900 -0.009 0.000 1.418 183 G CA 0.191 45.287 45.100 -0.007 0.000 0.958 183 G HN 0.902 nan 8.290 nan 0.000 0.567 184 E N 0.313 120.508 120.200 -0.008 0.000 2.599 184 E HA 0.119 4.469 4.350 -0.000 0.000 0.277 184 E C 0.550 177.140 176.600 -0.015 0.000 1.168 184 E CA 0.334 56.727 56.400 -0.011 0.000 1.074 184 E CB 0.047 29.741 29.700 -0.009 0.000 1.062 184 E HN 0.753 nan 8.360 nan 0.000 0.472 185 C N 4.261 123.549 119.300 -0.020 0.000 2.225 185 C HA 0.318 4.778 4.460 -0.000 0.000 0.328 185 C C -1.927 173.047 174.990 -0.027 0.000 1.187 185 C CA -1.752 57.249 59.018 -0.028 0.000 1.665 185 C CB -0.662 27.056 27.740 -0.036 0.000 2.253 185 C HN 0.388 nan 8.230 nan 0.000 0.497 186 P HA 0.181 nan 4.420 nan 0.000 0.264 186 P C -2.516 174.769 177.300 -0.025 0.000 1.193 186 P CA -0.638 62.452 63.100 -0.017 0.000 0.763 186 P CB 0.215 31.910 31.700 -0.010 0.000 0.810 187 P HA 0.018 nan 4.420 nan 0.000 0.260 187 P C 0.028 177.323 177.300 -0.008 0.000 1.185 187 P CA 0.181 63.270 63.100 -0.019 0.000 0.763 187 P CB 0.329 32.028 31.700 -0.002 0.000 0.776 188 L N 2.706 123.906 121.223 -0.038 0.000 2.436 188 L HA 0.349 4.689 4.340 -0.000 0.000 0.265 188 L C 0.947 177.897 176.870 0.133 0.000 1.168 188 L CA 0.207 55.053 54.840 0.010 0.000 0.815 188 L CB -0.345 41.626 42.059 -0.147 0.000 1.109 188 L HN 0.538 nan 8.230 nan 0.000 0.462 189 E N 1.411 121.756 120.200 0.241 0.000 2.263 189 E HA 0.290 4.640 4.350 -0.000 0.000 0.268 189 E C -1.471 175.217 176.600 0.146 0.000 0.884 189 E CA -0.862 55.667 56.400 0.215 0.000 0.766 189 E CB 2.099 31.848 29.700 0.083 0.000 1.196 189 E HN 0.401 nan 8.360 nan 0.000 0.416 190 L N 6.079 127.288 121.223 -0.023 0.000 2.385 190 L HA 0.308 4.648 4.340 -0.000 0.000 0.281 190 L C -1.410 175.263 176.870 -0.328 0.000 1.106 190 L CA 0.346 54.882 54.840 -0.506 0.000 0.856 190 L CB 0.128 41.788 42.059 -0.665 0.000 1.186 190 L HN 0.531 nan 8.230 nan 0.000 0.453 191 L N 5.253 126.229 121.223 -0.411 0.000 2.329 191 L HA 0.527 4.867 4.340 -0.000 0.000 0.279 191 L C -0.108 176.668 176.870 -0.155 0.000 1.014 191 L CA -0.714 53.973 54.840 -0.255 0.000 0.814 191 L CB 1.414 43.334 42.059 -0.231 0.000 1.257 191 L HN 0.553 nan 8.230 nan 0.000 0.424 192 N N 0.905 119.561 118.700 -0.074 0.000 2.487 192 N HA 0.573 5.313 4.740 -0.000 0.000 0.292 192 N C -0.464 175.046 175.510 0.000 0.000 1.108 192 N CA -0.173 52.848 53.050 -0.048 0.000 0.956 192 N CB 2.136 40.584 38.487 -0.066 0.000 1.176 192 N HN 0.633 nan 8.380 nan 0.000 0.484 193 T N -1.236 113.304 114.554 -0.023 0.000 2.830 193 T HA 0.369 4.719 4.350 -0.000 0.000 0.322 193 T C -1.355 173.269 174.700 -0.127 0.000 1.501 193 T CA -0.613 61.466 62.100 -0.035 0.000 1.036 193 T CB 0.539 69.407 68.868 0.001 0.000 1.379 193 T HN 0.020 nan 8.240 nan 0.000 0.493 194 V N 3.563 123.376 119.914 -0.168 0.000 2.607 194 V HA 0.471 4.591 4.120 -0.000 0.000 0.289 194 V C 0.154 176.118 176.094 -0.216 0.000 1.053 194 V CA -0.620 61.516 62.300 -0.274 0.000 0.996 194 V CB 1.149 32.610 31.823 -0.603 0.000 0.995 194 V HN 0.736 nan 8.190 nan 0.000 0.476 195 L N 5.347 126.439 121.223 -0.218 0.000 2.257 195 L HA 0.462 4.802 4.340 -0.000 0.000 0.290 195 L C -0.002 176.862 176.870 -0.010 0.000 1.044 195 L CA 0.017 54.703 54.840 -0.256 0.000 0.810 195 L CB 0.883 42.704 42.059 -0.396 0.000 1.193 195 L HN 0.693 nan 8.230 nan 0.000 0.425 196 Q N 1.624 121.451 119.800 0.045 0.000 2.342 196 Q HA 0.289 4.629 4.340 -0.000 0.000 0.267 196 Q C -0.980 175.119 176.000 0.164 0.000 1.038 196 Q CA -1.015 54.931 55.803 0.238 0.000 0.832 196 Q CB 2.513 31.300 28.738 0.082 0.000 1.323 196 Q HN 0.473 nan 8.270 nan 0.000 0.448 197 D N 0.105 120.648 120.400 0.239 0.000 2.548 197 D HA 0.157 4.797 4.640 -0.000 0.000 0.231 197 D C 0.932 177.303 176.300 0.119 0.000 1.142 197 D CA 2.202 56.291 54.000 0.148 0.000 0.866 197 D CB 0.261 41.151 40.800 0.149 0.000 1.190 197 D HN 0.701 nan 8.370 nan 0.000 0.469 198 G N 2.687 111.563 108.800 0.127 0.000 2.194 198 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.236 198 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.236 198 G C 0.050 175.027 174.900 0.127 0.000 0.987 198 G CA 0.089 45.256 45.100 0.111 0.000 0.635 198 G HN 0.643 nan 8.290 nan 0.000 0.520 199 D N 0.920 121.413 120.400 0.156 0.000 2.357 199 D HA 0.430 5.070 4.640 -0.000 0.000 0.242 199 D C 1.025 177.528 176.300 0.338 0.000 1.153 199 D CA 0.126 54.227 54.000 0.168 0.000 0.918 199 D CB 0.417 41.211 40.800 -0.011 0.000 1.181 199 D HN -0.005 nan 8.370 nan 0.000 0.435 200 M N 1.408 121.165 119.600 0.262 0.000 2.146 200 M HA 0.137 4.617 4.480 -0.000 0.000 0.357 200 M C 0.036 176.585 176.300 0.415 0.000 1.261 200 M CA -0.771 54.692 55.300 0.272 0.000 1.106 200 M CB 0.755 33.441 32.600 0.143 0.000 1.612 200 M HN 0.117 nan 8.290 nan 0.000 0.470 201 V N 1.035 121.088 119.914 0.231 0.000 3.264 201 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 201 V C 0.429 176.658 176.094 0.226 0.000 1.086 201 V CA -1.116 61.317 62.300 0.221 0.000 1.090 201 V CB 0.410 32.193 31.823 -0.067 0.000 1.112 201 V HN 0.877 nan 8.190 nan 0.000 0.472 202 D N 0.660 121.230 120.400 0.284 0.000 2.362 202 D HA 0.088 4.728 4.640 -0.000 0.000 0.242 202 D C 0.684 177.063 176.300 0.130 0.000 1.132 202 D CA 0.422 54.576 54.000 0.257 0.000 0.907 202 D CB 1.620 42.606 40.800 0.310 0.000 1.195 202 D HN 0.914 nan 8.370 nan 0.000 0.429 203 T N -2.806 111.783 114.554 0.059 0.000 3.132 203 T HA 0.451 4.801 4.350 -0.000 0.000 0.274 203 T C 1.249 175.973 174.700 0.040 0.000 1.011 203 T CA 0.141 62.153 62.100 -0.148 0.000 0.899 203 T CB -0.143 68.125 68.868 -1.001 0.000 1.089 203 T HN 0.871 nan 8.240 nan 0.000 0.543 204 G N 0.973 109.839 108.800 0.111 0.000 2.179 204 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 204 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 204 G C 0.017 174.906 174.900 -0.019 0.000 0.990 204 G CA -0.242 44.882 45.100 0.039 0.000 0.646 204 G HN 0.507 nan 8.290 nan 0.000 0.517 205 F N 1.795 121.837 119.950 0.154 0.000 2.850 205 F HA 0.520 5.047 4.527 -0.000 0.000 0.329 205 F C 1.376 177.299 175.800 0.205 0.000 1.182 205 F CA 0.461 58.594 58.000 0.222 0.000 1.270 205 F CB 0.927 40.132 39.000 0.342 0.000 0.979 205 F HN 0.810 nan 8.300 nan 0.000 0.506 206 G N 1.024 109.992 108.800 0.280 0.000 2.846 206 G HA2 0.062 4.022 3.960 -0.000 0.000 0.660 206 G HA3 0.062 4.022 3.960 -0.000 0.000 0.660 206 G C -0.271 174.794 174.900 0.274 0.000 1.464 206 G CA -0.525 44.708 45.100 0.222 0.000 0.891 206 G HN 0.738 nan 8.290 nan 0.000 0.552 207 A N 1.182 124.170 122.820 0.280 0.000 2.969 207 A HA 0.674 4.994 4.320 -0.000 0.000 0.328 207 A C 0.764 178.525 177.584 0.295 0.000 1.355 207 A CA 0.697 52.922 52.037 0.313 0.000 1.018 207 A CB -0.588 18.605 19.000 0.321 0.000 1.159 207 A HN 1.574 nan 8.150 nan 0.000 0.505 208 M N -0.963 118.718 119.600 0.135 0.000 2.653 208 M HA 0.653 5.133 4.480 -0.000 0.000 0.262 208 M C -0.925 175.473 176.300 0.163 0.000 1.002 208 M CA -0.751 54.606 55.300 0.094 0.000 1.084 208 M CB 0.696 33.217 32.600 -0.132 0.000 1.511 208 M HN 0.150 nan 8.290 nan 0.000 0.612 209 D N 0.220 120.697 120.400 0.127 0.000 2.477 209 D HA 0.332 4.972 4.640 -0.000 0.000 0.239 209 D C -0.012 176.347 176.300 0.100 0.000 1.102 209 D CA -0.425 53.685 54.000 0.184 0.000 0.901 209 D CB 0.304 41.241 40.800 0.228 0.000 1.026 209 D HN 0.509 nan 8.370 nan 0.000 0.515 210 F N 0.986 120.975 119.950 0.065 0.000 2.216 210 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 210 F C 2.495 178.303 175.800 0.013 0.000 1.085 210 F CA 1.134 59.148 58.000 0.023 0.000 1.326 210 F CB -0.722 38.273 39.000 -0.009 0.000 1.027 210 F HN 0.302 nan 8.300 nan 0.000 0.497 211 T N -1.881 112.798 114.554 0.208 0.000 2.737 211 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 211 T C 2.107 176.858 174.700 0.086 0.000 1.038 211 T CA 1.816 63.986 62.100 0.116 0.000 1.144 211 T CB -1.053 67.869 68.868 0.089 0.000 0.866 211 T HN 0.429 nan 8.240 nan 0.000 0.434 212 T N -0.175 114.431 114.554 0.087 0.000 3.023 212 T HA 0.132 4.482 4.350 -0.000 0.000 0.266 212 T C 1.659 176.383 174.700 0.040 0.000 1.093 212 T CA 0.309 62.445 62.100 0.060 0.000 1.129 212 T CB -0.289 68.620 68.868 0.068 0.000 0.899 212 T HN 0.100 nan 8.240 nan 0.000 0.491 213 L N 0.469 121.710 121.223 0.031 0.000 2.556 213 L HA 0.441 4.781 4.340 -0.000 0.000 0.226 213 L C 0.706 177.568 176.870 -0.012 0.000 1.089 213 L CA 0.693 55.527 54.840 -0.009 0.000 0.864 213 L CB -0.062 41.966 42.059 -0.052 0.000 1.067 213 L HN 0.388 nan 8.230 nan 0.000 0.477 214 Q N -1.038 118.773 119.800 0.018 0.000 2.454 214 Q HA 0.451 4.791 4.340 -0.000 0.000 0.255 214 Q C 0.821 176.832 176.000 0.017 0.000 1.034 214 Q CA 0.082 55.893 55.803 0.013 0.000 0.736 214 Q CB 1.728 30.493 28.738 0.045 0.000 1.210 214 Q HN 0.146 nan 8.270 nan 0.000 0.500 215 A N 3.494 126.316 122.820 0.003 0.000 1.851 215 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 215 A C 1.746 179.330 177.584 0.001 0.000 1.195 215 A CA 1.974 54.014 52.037 0.004 0.000 0.622 215 A CB -0.474 18.525 19.000 -0.001 0.000 0.831 215 A HN 0.845 nan 8.150 nan 0.000 0.444 216 N N 1.085 119.777 118.700 -0.013 0.000 2.585 216 N HA -0.226 4.514 4.740 -0.000 0.000 0.188 216 N C 0.442 175.943 175.510 -0.014 0.000 1.102 216 N CA 1.452 54.491 53.050 -0.018 0.000 0.920 216 N CB -0.747 37.717 38.487 -0.039 0.000 0.963 216 N HN 0.735 nan 8.380 nan 0.000 0.447 217 K N -1.147 119.249 120.400 -0.006 0.000 3.100 217 K HA -0.200 4.120 4.320 -0.000 0.000 0.261 217 K C -0.469 176.130 176.600 -0.002 0.000 0.920 217 K CA 1.124 57.419 56.287 0.014 0.000 0.683 217 K CB -2.276 30.251 32.500 0.046 0.000 1.349 217 K HN 0.237 nan 8.250 nan 0.000 0.473 218 S N -0.129 115.475 115.700 -0.160 0.000 2.684 218 S HA -0.007 4.463 4.470 -0.000 0.000 0.268 218 S C -0.093 174.117 174.600 -0.651 0.000 1.075 218 S CA 0.184 58.113 58.200 -0.451 0.000 1.184 218 S CB 0.402 63.485 63.200 -0.194 0.000 1.129 218 S HN 0.653 nan 8.310 nan 0.000 0.630 219 D N 2.323 122.490 120.400 -0.388 0.000 2.881 219 D HA 0.353 4.993 4.640 -0.000 0.000 0.240 219 D C -0.077 175.956 176.300 -0.446 0.000 1.249 219 D CA -0.318 53.434 54.000 -0.413 0.000 0.839 219 D CB -0.023 40.538 40.800 -0.399 0.000 1.042 219 D HN 0.165 nan 8.370 nan 0.000 0.475 220 V N -4.961 114.674 119.914 -0.464 0.000 3.022 220 V HA 0.376 4.496 4.120 -0.000 0.000 0.272 220 V C -3.023 172.885 176.094 -0.310 0.000 1.584 220 V CA -2.055 59.911 62.300 -0.557 0.000 0.974 220 V CB 1.316 32.736 31.823 -0.670 0.000 1.219 220 V HN -0.201 nan 8.190 nan 0.000 0.450 221 P HA 0.176 nan 4.420 nan 0.000 0.267 221 P C 0.994 178.267 177.300 -0.044 0.000 1.201 221 P CA -0.158 62.911 63.100 -0.052 0.000 0.775 221 P CB 0.464 32.111 31.700 -0.087 0.000 0.854 222 L N 2.388 123.584 121.223 -0.045 0.000 2.043 222 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 222 L C 1.877 178.759 176.870 0.020 0.000 1.075 222 L CA 2.318 57.151 54.840 -0.013 0.000 0.752 222 L CB -2.131 39.922 42.059 -0.011 0.000 0.891 222 L HN 0.504 nan 8.230 nan 0.000 0.432 223 D N -0.071 120.336 120.400 0.012 0.000 2.362 223 D HA -0.239 4.401 4.640 -0.000 0.000 0.215 223 D C 1.590 177.906 176.300 0.026 0.000 0.978 223 D CA 1.774 55.844 54.000 0.116 0.000 0.921 223 D CB -0.439 40.499 40.800 0.230 0.000 0.895 223 D HN 0.663 nan 8.370 nan 0.000 0.494 224 I N -3.356 117.146 120.570 -0.113 0.000 4.730 224 I HA 0.204 4.374 4.170 -0.000 0.000 0.332 224 I C 2.043 177.866 176.117 -0.490 0.000 1.299 224 I CA -0.184 60.914 61.300 -0.336 0.000 1.294 224 I CB -0.115 37.532 38.000 -0.589 0.000 1.317 224 I HN 0.106 nan 8.210 nan 0.000 0.457 225 C N 1.616 120.732 119.300 -0.306 0.000 2.403 225 C HA -0.040 4.420 4.460 -0.000 0.000 0.279 225 C C 2.182 177.147 174.990 -0.042 0.000 1.269 225 C CA 0.903 59.805 59.018 -0.194 0.000 1.774 225 C CB -1.828 25.893 27.740 -0.032 0.000 1.993 225 C HN 0.715 nan 8.230 nan 0.000 0.496 226 S N -0.029 115.659 115.700 -0.020 0.000 2.624 226 S HA 0.534 5.004 4.470 -0.000 0.000 0.246 226 S C 0.054 174.680 174.600 0.043 0.000 1.072 226 S CA -0.074 58.148 58.200 0.036 0.000 1.045 226 S CB -0.144 63.076 63.200 0.034 0.000 0.851 226 S HN 0.704 nan 8.310 nan 0.000 0.480 227 S N 0.782 116.500 115.700 0.031 0.000 2.900 227 S HA 0.663 5.133 4.470 -0.000 0.000 0.320 227 S C -0.814 173.875 174.600 0.149 0.000 1.130 227 S CA -0.980 57.256 58.200 0.060 0.000 0.863 227 S CB 0.599 63.819 63.200 0.033 0.000 1.295 227 S HN 0.387 nan 8.310 nan 0.000 0.596 228 I N 1.044 121.680 120.570 0.111 0.000 2.389 228 I HA 0.358 4.528 4.170 -0.000 0.000 0.288 228 I C -0.974 175.235 176.117 0.153 0.000 0.999 228 I CA -0.414 60.963 61.300 0.129 0.000 1.129 228 I CB 1.284 39.215 38.000 -0.114 0.000 1.288 228 I HN 0.478 nan 8.210 nan 0.000 0.444 229 C N 6.040 125.534 119.300 0.323 0.000 2.350 229 C HA 0.433 4.893 4.460 -0.000 0.000 0.348 229 C C 0.187 175.340 174.990 0.272 0.000 1.260 229 C CA -0.614 58.593 59.018 0.315 0.000 1.966 229 C CB 0.517 28.510 27.740 0.422 0.000 2.380 229 C HN 0.662 nan 8.230 nan 0.000 0.535 230 K N 2.220 122.774 120.400 0.257 0.000 2.324 230 K HA 0.438 4.758 4.320 -0.000 0.000 0.253 230 K C -1.380 175.388 176.600 0.280 0.000 0.932 230 K CA -0.513 55.872 56.287 0.163 0.000 0.799 230 K CB 2.005 34.437 32.500 -0.114 0.000 1.154 230 K HN 0.622 nan 8.250 nan 0.000 0.425 231 Y N 3.145 123.525 120.300 0.133 0.000 2.331 231 Y HA 0.282 4.832 4.550 -0.000 0.000 0.338 231 Y C -2.457 173.453 175.900 0.017 0.000 0.992 231 Y CA -2.559 55.630 58.100 0.149 0.000 1.121 231 Y CB 1.232 39.776 38.460 0.139 0.000 1.184 231 Y HN 0.435 nan 8.280 nan 0.000 0.469 232 P HA -0.116 nan 4.420 nan 0.000 0.255 232 P C -0.506 176.380 177.300 -0.689 0.000 1.161 232 P CA 0.556 63.174 63.100 -0.804 0.000 0.768 232 P CB 0.327 31.314 31.700 -1.189 0.000 0.746 233 D N 3.208 123.377 120.400 -0.385 0.000 2.600 233 D HA -0.036 4.604 4.640 -0.000 0.000 0.226 233 D C 0.534 176.734 176.300 -0.168 0.000 1.119 233 D CA -0.003 53.885 54.000 -0.187 0.000 1.051 233 D CB -0.406 40.310 40.800 -0.141 0.000 1.106 233 D HN 0.320 nan 8.370 nan 0.000 0.491 234 Y N 1.036 121.265 120.300 -0.118 0.000 2.181 234 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 234 Y C 2.347 178.170 175.900 -0.128 0.000 1.146 234 Y CA 0.681 58.671 58.100 -0.184 0.000 1.164 234 Y CB -0.088 38.278 38.460 -0.157 0.000 0.982 234 Y HN 0.269 nan 8.280 nan 0.000 0.515 235 L N 0.037 121.338 121.223 0.130 0.000 2.081 235 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 235 L C 2.530 179.408 176.870 0.014 0.000 1.080 235 L CA 1.689 56.565 54.840 0.061 0.000 0.754 235 L CB -0.353 41.743 42.059 0.062 0.000 0.893 235 L HN 0.200 nan 8.230 nan 0.000 0.433 236 K N -0.380 120.012 120.400 -0.013 0.000 2.021 236 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 236 K C 2.178 178.752 176.600 -0.043 0.000 1.047 236 K CA 1.018 57.284 56.287 -0.034 0.000 0.943 236 K CB -0.032 32.434 32.500 -0.056 0.000 0.725 236 K HN 0.132 nan 8.250 nan 0.000 0.439 237 M N 0.531 120.083 119.600 -0.081 0.000 2.346 237 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 237 M C 1.909 178.174 176.300 -0.058 0.000 1.064 237 M CA 1.029 56.271 55.300 -0.096 0.000 1.083 237 M CB 0.103 32.601 32.600 -0.170 0.000 1.399 237 M HN 0.031 nan 8.290 nan 0.000 0.435 238 V N -1.580 118.306 119.914 -0.047 0.000 2.500 238 V HA -0.101 4.019 4.120 -0.000 0.000 0.243 238 V C 1.886 177.996 176.094 0.026 0.000 1.039 238 V CA 1.424 63.714 62.300 -0.016 0.000 1.053 238 V CB 0.058 31.864 31.823 -0.027 0.000 0.695 238 V HN 0.299 nan 8.190 nan 0.000 0.463 239 S N -0.284 115.428 115.700 0.020 0.000 2.720 239 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 239 S C 0.779 175.401 174.600 0.036 0.000 0.958 239 S CA 0.054 58.273 58.200 0.032 0.000 0.943 239 S CB -0.511 62.702 63.200 0.022 0.000 0.779 239 S HN 0.651 nan 8.310 nan 0.000 0.526 240 E N 2.637 122.862 120.200 0.040 0.000 2.290 240 E HA 0.066 4.416 4.350 -0.000 0.000 0.277 240 E C -1.391 175.256 176.600 0.078 0.000 1.035 240 E CA -1.873 54.556 56.400 0.049 0.000 0.873 240 E CB 0.878 30.605 29.700 0.046 0.000 1.029 240 E HN 0.084 nan 8.360 nan 0.000 0.419 241 P HA -0.224 nan 4.420 nan 0.000 0.213 241 P C 0.833 178.099 177.300 -0.057 0.000 1.170 241 P CA 1.557 64.608 63.100 -0.083 0.000 0.902 241 P CB -0.144 31.402 31.700 -0.257 0.000 0.789 242 Y N -0.068 120.295 120.300 0.105 0.000 2.242 242 Y HA 0.096 4.646 4.550 -0.000 0.000 0.291 242 Y C 1.842 177.902 175.900 0.266 0.000 1.137 242 Y CA 1.314 59.520 58.100 0.175 0.000 1.181 242 Y CB -1.003 37.532 38.460 0.125 0.000 0.989 242 Y HN 0.111 nan 8.280 nan 0.000 0.527 243 G N 0.726 109.725 108.800 0.332 0.000 2.368 243 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.290 243 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.290 243 G C 0.072 175.131 174.900 0.265 0.000 1.098 243 G CA 0.400 45.656 45.100 0.260 0.000 1.073 243 G HN 0.401 nan 8.290 nan 0.000 0.511 244 D N -0.408 120.109 120.400 0.195 0.000 2.324 244 D HA 0.030 4.670 4.640 -0.000 0.000 0.212 244 D C 2.375 178.583 176.300 -0.153 0.000 0.984 244 D CA 0.694 54.757 54.000 0.106 0.000 0.885 244 D CB -0.031 40.868 40.800 0.165 0.000 0.996 244 D HN 0.512 nan 8.370 nan 0.000 0.505 245 M N 0.562 120.093 119.600 -0.115 0.000 2.089 245 M HA -0.179 4.301 4.480 -0.000 0.000 0.257 245 M C 0.077 176.222 176.300 -0.258 0.000 1.071 245 M CA 1.639 56.823 55.300 -0.194 0.000 1.096 245 M CB 0.096 32.610 32.600 -0.144 0.000 1.330 245 M HN 0.044 nan 8.290 nan 0.000 0.403 246 L N -4.758 116.339 121.223 -0.209 0.000 2.491 246 L HA 0.580 4.920 4.340 -0.000 0.000 0.254 246 L C -0.828 176.009 176.870 -0.055 0.000 1.048 246 L CA -1.045 53.671 54.840 -0.207 0.000 0.855 246 L CB 1.227 43.247 42.059 -0.065 0.000 1.466 246 L HN 0.198 nan 8.230 nan 0.000 0.409 247 F N -1.513 118.579 119.950 0.237 0.000 3.033 247 F HA 0.646 5.173 4.527 -0.000 0.000 0.332 247 F C -0.744 175.285 175.800 0.383 0.000 1.266 247 F CA -1.229 56.923 58.000 0.254 0.000 0.998 247 F CB -0.494 38.633 39.000 0.211 0.000 1.438 247 F HN 0.464 nan 8.300 nan 0.000 0.501 248 F N 2.472 122.719 119.950 0.495 0.000 2.669 248 F HA 0.591 5.118 4.527 -0.000 0.000 0.315 248 F C -1.748 174.283 175.800 0.385 0.000 1.109 248 F CA -1.528 56.691 58.000 0.365 0.000 1.028 248 F CB 1.173 40.354 39.000 0.302 0.000 1.287 248 F HN 0.144 nan 8.300 nan 0.000 0.452 249 Y N 3.638 123.571 120.300 -0.612 0.000 2.670 249 Y HA 0.887 5.437 4.550 -0.000 0.000 0.334 249 Y C -2.300 173.267 175.900 -0.555 0.000 1.185 249 Y CA -1.703 56.190 58.100 -0.346 0.000 1.053 249 Y CB 1.947 40.404 38.460 -0.005 0.000 1.298 249 Y HN 0.598 nan 8.280 nan 0.000 0.459 250 L N 2.908 123.989 121.223 -0.237 0.000 2.639 250 L HA 0.523 4.862 4.340 -0.000 0.000 0.264 250 L C -1.328 175.506 176.870 -0.061 0.000 0.948 250 L CA -0.736 53.905 54.840 -0.332 0.000 0.912 250 L CB 2.249 44.099 42.059 -0.349 0.000 1.294 250 L HN 0.853 nan 8.230 nan 0.000 0.412 251 R N 2.051 122.500 120.500 -0.085 0.000 2.711 251 R HA 0.887 5.227 4.340 -0.000 0.000 0.284 251 R C -0.592 175.693 176.300 -0.026 0.000 0.968 251 R CA -1.046 55.071 56.100 0.029 0.000 0.924 251 R CB 2.199 32.525 30.300 0.043 0.000 1.162 251 R HN 0.427 nan 8.270 nan 0.000 0.465 252 R N 1.505 122.015 120.500 0.018 0.000 2.850 252 R HA 0.124 4.464 4.340 -0.000 0.000 0.266 252 R C -1.258 175.072 176.300 0.052 0.000 1.782 252 R CA -0.230 55.870 56.100 -0.000 0.000 1.310 252 R CB 0.869 31.138 30.300 -0.052 0.000 1.337 252 R HN 0.938 nan 8.270 nan 0.000 0.546 253 E N 2.751 122.996 120.200 0.075 0.000 2.249 253 E HA 0.475 4.825 4.350 -0.000 0.000 0.263 253 E C -1.118 175.530 176.600 0.079 0.000 0.950 253 E CA -1.084 55.376 56.400 0.101 0.000 0.827 253 E CB 2.256 32.044 29.700 0.147 0.000 1.220 253 E HN 0.482 nan 8.360 nan 0.000 0.411 254 Q N 1.187 121.040 119.800 0.089 0.000 2.805 254 Q HA 0.432 4.772 4.340 -0.000 0.000 0.257 254 Q C -1.562 174.501 176.000 0.105 0.000 0.977 254 Q CA -0.851 55.006 55.803 0.090 0.000 0.901 254 Q CB 1.589 30.377 28.738 0.084 0.000 1.778 254 Q HN 0.717 nan 8.270 nan 0.000 0.441 255 M N 2.232 121.908 119.600 0.126 0.000 3.015 255 M HA 0.686 5.166 4.480 -0.000 0.000 0.272 255 M C -2.171 174.257 176.300 0.214 0.000 1.085 255 M CA -0.563 54.801 55.300 0.107 0.000 0.795 255 M CB 1.909 34.542 32.600 0.054 0.000 1.632 255 M HN 1.046 nan 8.290 nan 0.000 0.535 256 F N 0.282 120.256 119.950 0.039 0.000 2.686 256 F HA 0.754 5.281 4.527 -0.000 0.000 0.311 256 F C -1.617 174.196 175.800 0.020 0.000 1.128 256 F CA -1.040 56.973 58.000 0.022 0.000 0.946 256 F CB 0.707 39.719 39.000 0.019 0.000 1.336 256 F HN 0.292 nan 8.300 nan 0.000 0.457 257 V N 3.084 123.282 119.914 0.472 0.000 2.326 257 V HA 0.279 4.399 4.120 -0.000 0.000 0.249 257 V C 1.324 177.621 176.094 0.338 0.000 1.114 257 V CA -0.249 62.191 62.300 0.233 0.000 1.028 257 V CB -0.091 31.800 31.823 0.113 0.000 1.170 257 V HN 0.943 nan 8.190 nan 0.000 0.494 258 R N 3.134 123.702 120.500 0.113 0.000 2.082 258 R HA -0.077 4.262 4.340 -0.000 0.000 0.234 258 R C 0.566 177.143 176.300 0.462 0.000 1.136 258 R CA 1.834 58.087 56.100 0.255 0.000 0.935 258 R CB -0.152 30.147 30.300 -0.000 0.000 0.842 258 R HN 0.803 nan 8.270 nan 0.000 0.430 259 H N -2.687 116.336 119.070 -0.079 0.000 2.941 259 H HA 0.519 5.075 4.556 -0.000 0.000 0.344 259 H C -1.233 173.837 175.328 -0.431 0.000 1.235 259 H CA -0.724 55.144 56.048 -0.300 0.000 1.149 259 H CB 1.329 30.812 29.762 -0.464 0.000 1.885 259 H HN 0.035 nan 8.280 nan 0.000 0.558 260 L N 1.850 122.725 121.223 -0.580 0.000 2.388 260 L HA 0.469 4.809 4.340 -0.000 0.000 0.267 260 L C -1.147 175.362 176.870 -0.601 0.000 0.995 260 L CA -0.216 54.336 54.840 -0.480 0.000 0.864 260 L CB 0.432 42.313 42.059 -0.296 0.000 1.216 260 L HN 0.260 nan 8.230 nan 0.000 0.430 261 F N 0.457 120.214 119.950 -0.321 0.000 2.594 261 F HA 0.453 4.980 4.527 -0.000 0.000 0.335 261 F C 0.427 176.177 175.800 -0.085 0.000 1.058 261 F CA -0.680 57.112 58.000 -0.347 0.000 0.981 261 F CB 1.782 40.331 39.000 -0.751 0.000 1.289 261 F HN 0.364 nan 8.300 nan 0.000 0.490 262 N N 0.795 119.718 118.700 0.372 0.000 2.400 262 N HA 0.338 5.078 4.740 -0.000 0.000 0.288 262 N C -0.882 174.875 175.510 0.412 0.000 1.024 262 N CA -0.781 52.468 53.050 0.330 0.000 0.894 262 N CB 0.935 39.560 38.487 0.230 0.000 1.173 262 N HN 0.332 nan 8.380 nan 0.000 0.487 263 R N 1.165 121.860 120.500 0.325 0.000 2.532 263 R HA 0.547 4.887 4.340 -0.000 0.000 0.272 263 R C -0.411 175.947 176.300 0.096 0.000 1.032 263 R CA -0.384 55.848 56.100 0.220 0.000 1.089 263 R CB 1.355 31.721 30.300 0.109 0.000 1.098 263 R HN 0.550 nan 8.270 nan 0.000 0.526 264 A N -0.139 122.714 122.820 0.054 0.000 2.282 264 A HA 0.782 5.102 4.320 -0.000 0.000 0.324 264 A C -0.035 177.552 177.584 0.005 0.000 1.119 264 A CA -0.073 51.981 52.037 0.029 0.000 0.880 264 A CB 1.010 20.028 19.000 0.029 0.000 1.294 264 A HN 0.799 nan 8.150 nan 0.000 0.493 265 G N -0.777 108.025 108.800 0.003 0.000 2.758 265 G HA2 0.273 4.233 3.960 -0.000 0.000 0.686 265 G HA3 0.273 4.233 3.960 -0.000 0.000 0.686 265 G C 0.137 175.032 174.900 -0.008 0.000 1.389 265 G CA 0.182 45.280 45.100 -0.004 0.000 0.845 265 G HN 2.419 nan 8.290 nan 0.000 0.572 266 T N -1.980 112.569 114.554 -0.008 0.000 2.946 266 T HA 0.408 4.758 4.350 -0.000 0.000 0.312 266 T C 0.655 175.344 174.700 -0.018 0.000 1.066 266 T CA 0.185 62.278 62.100 -0.011 0.000 1.138 266 T CB 1.021 69.885 68.868 -0.007 0.000 1.014 266 T HN 1.655 nan 8.240 nan 0.000 0.544 267 V N 4.762 124.663 119.914 -0.023 0.000 2.406 267 V HA 0.467 4.587 4.120 -0.000 0.000 0.272 267 V C 1.655 177.736 176.094 -0.021 0.000 1.043 267 V CA 0.104 62.386 62.300 -0.030 0.000 0.915 267 V CB 0.616 32.413 31.823 -0.042 0.000 0.988 267 V HN 1.187 nan 8.190 nan 0.000 0.466 268 G N 3.962 112.749 108.800 -0.022 0.000 2.424 268 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.214 268 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.214 268 G C 0.485 175.378 174.900 -0.012 0.000 1.202 268 G CA -0.002 45.088 45.100 -0.016 0.000 0.793 268 G HN 0.711 nan 8.290 nan 0.000 0.534 269 E N 1.760 121.952 120.200 -0.014 0.000 1.996 269 E HA 0.329 4.679 4.350 -0.000 0.000 0.280 269 E C -0.123 176.475 176.600 -0.003 0.000 1.092 269 E CA -0.344 56.052 56.400 -0.007 0.000 0.862 269 E CB 0.708 30.402 29.700 -0.010 0.000 1.066 269 E HN 0.278 nan 8.360 nan 0.000 0.396 270 T N -0.386 114.172 114.554 0.006 0.000 2.813 270 T HA 0.158 4.508 4.350 -0.000 0.000 0.297 270 T C 0.620 175.342 174.700 0.036 0.000 1.036 270 T CA -0.899 61.210 62.100 0.015 0.000 1.044 270 T CB 0.932 69.816 68.868 0.026 0.000 0.993 270 T HN 0.050 nan 8.240 nan 0.000 0.535 271 V N 3.226 123.173 119.914 0.054 0.000 2.614 271 V HA 0.224 4.344 4.120 -0.000 0.000 0.291 271 V C -1.927 174.277 176.094 0.184 0.000 1.049 271 V CA -1.537 60.829 62.300 0.109 0.000 1.038 271 V CB 0.284 32.172 31.823 0.109 0.000 0.980 271 V HN 0.793 nan 8.190 nan 0.000 0.481 272 P HA 0.173 nan 4.420 nan 0.000 0.269 272 P C 0.560 177.906 177.300 0.077 0.000 1.252 272 P CA -0.049 63.106 63.100 0.092 0.000 0.780 272 P CB 0.789 32.522 31.700 0.056 0.000 0.829 273 A N 3.990 126.803 122.820 -0.013 0.000 2.139 273 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 273 A C 1.422 178.757 177.584 -0.414 0.000 1.159 273 A CA 1.607 53.468 52.037 -0.293 0.000 0.662 273 A CB -0.664 18.238 19.000 -0.165 0.000 0.796 273 A HN 0.604 nan 8.150 nan 0.000 0.463 274 D N -0.959 119.329 120.400 -0.187 0.000 2.342 274 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 274 D C 1.218 177.461 176.300 -0.096 0.000 1.101 274 D CA -0.031 53.883 54.000 -0.144 0.000 0.837 274 D CB -0.066 40.687 40.800 -0.078 0.000 0.938 274 D HN 0.485 nan 8.370 nan 0.000 0.508 275 L N -0.462 120.718 121.223 -0.071 0.000 2.513 275 L HA 0.130 4.470 4.340 -0.000 0.000 0.222 275 L C 0.118 177.052 176.870 0.107 0.000 1.096 275 L CA 0.149 55.019 54.840 0.049 0.000 0.857 275 L CB 0.054 42.200 42.059 0.146 0.000 1.026 275 L HN 0.110 nan 8.230 nan 0.000 0.469 276 Y N -3.161 117.137 120.300 -0.004 0.000 2.655 276 Y HA 0.636 5.186 4.550 -0.000 0.000 0.336 276 Y C -0.875 175.019 175.900 -0.010 0.000 1.154 276 Y CA -1.773 56.323 58.100 -0.007 0.000 1.055 276 Y CB 0.789 39.243 38.460 -0.009 0.000 1.295 276 Y HN -0.270 nan 8.280 nan 0.000 0.465 277 I N 3.034 123.644 120.570 0.066 0.000 2.321 277 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 277 I C -0.395 175.774 176.117 0.087 0.000 0.998 277 I CA -1.062 60.227 61.300 -0.017 0.000 1.227 277 I CB 1.174 39.178 38.000 0.008 0.000 1.368 277 I HN 0.431 nan 8.210 nan 0.000 0.466 278 K N 5.264 125.666 120.400 0.003 0.000 2.323 278 K HA -0.070 4.250 4.320 -0.000 0.000 0.262 278 K C 0.315 176.968 176.600 0.088 0.000 1.238 278 K CA 0.044 56.382 56.287 0.086 0.000 1.249 278 K CB -0.412 32.099 32.500 0.019 0.000 0.805 278 K HN 0.846 nan 8.250 nan 0.000 0.489 279 G N 2.541 111.410 108.800 0.114 0.000 2.333 279 G HA2 0.087 4.047 3.960 -0.000 0.000 0.290 279 G HA3 0.087 4.047 3.960 -0.000 0.000 0.290 279 G C 0.124 175.043 174.900 0.032 0.000 1.150 279 G CA -0.411 44.717 45.100 0.046 0.000 0.895 279 G HN 0.486 nan 8.290 nan 0.000 0.444 280 T N 1.712 116.284 114.554 0.030 0.000 2.939 280 T HA 0.217 4.567 4.350 -0.000 0.000 0.312 280 T C 0.771 175.495 174.700 0.040 0.000 1.064 280 T CA 1.414 63.534 62.100 0.034 0.000 1.136 280 T CB -0.295 68.592 68.868 0.033 0.000 1.035 280 T HN 1.240 nan 8.240 nan 0.000 0.538 281 T N 2.099 116.687 114.554 0.056 0.000 2.779 281 T HA 0.239 4.589 4.350 -0.000 0.000 0.479 281 T C -0.039 174.725 174.700 0.106 0.000 0.792 281 T CA 0.613 62.770 62.100 0.095 0.000 2.536 281 T CB -1.791 67.155 68.868 0.130 0.000 1.697 281 T HN 1.757 nan 8.240 nan 0.000 0.590 282 G N 1.013 109.870 108.800 0.096 0.000 2.343 282 G HA2 0.420 4.380 3.960 -0.000 0.000 0.298 282 G HA3 0.420 4.380 3.960 -0.000 0.000 0.298 282 G C -0.296 174.629 174.900 0.042 0.000 1.644 282 G CA -0.065 45.078 45.100 0.071 0.000 0.958 282 G HN 0.574 nan 8.290 nan 0.000 0.702 283 T N 1.844 116.427 114.554 0.049 0.000 3.269 283 T HA 0.434 4.784 4.350 -0.000 0.000 0.269 283 T C 0.362 175.053 174.700 -0.015 0.000 0.993 283 T CA 0.089 62.206 62.100 0.028 0.000 0.909 283 T CB -0.238 68.655 68.868 0.041 0.000 1.115 283 T HN 1.779 nan 8.240 nan 0.000 0.543 284 L N 2.981 124.160 121.223 -0.073 0.000 3.089 284 L HA -0.106 4.234 4.340 -0.000 0.000 0.511 284 L C -1.864 174.933 176.870 -0.122 0.000 1.002 284 L CA -0.492 54.246 54.840 -0.170 0.000 1.246 284 L CB -0.513 41.400 42.059 -0.244 0.000 1.087 284 L HN 0.201 nan 8.230 nan 0.000 0.591 285 P HA 0.049 nan 4.420 nan 0.000 0.269 285 P C -0.095 177.155 177.300 -0.082 0.000 1.211 285 P CA 0.131 63.204 63.100 -0.045 0.000 0.781 285 P CB 0.548 32.233 31.700 -0.025 0.000 0.877 286 S N 0.512 116.175 115.700 -0.061 0.000 2.554 286 S HA 0.005 4.475 4.470 -0.000 0.000 0.290 286 S C 0.665 175.091 174.600 -0.291 0.000 1.309 286 S CA 0.565 58.687 58.200 -0.128 0.000 1.047 286 S CB -0.584 62.569 63.200 -0.078 0.000 0.828 286 S HN 0.547 nan 8.310 nan 0.000 0.509 287 T N 2.371 116.694 114.554 -0.385 0.000 3.170 287 T HA 0.139 4.489 4.350 -0.000 0.000 0.288 287 T C 0.163 174.361 174.700 -0.837 0.000 0.992 287 T CA 0.033 61.699 62.100 -0.723 0.000 0.909 287 T CB 0.030 68.726 68.868 -0.287 0.000 1.133 287 T HN 0.721 nan 8.240 nan 0.000 0.530 288 S N 2.158 117.567 115.700 -0.484 0.000 3.530 288 S HA 0.371 4.841 4.470 -0.000 0.000 0.279 288 S C -0.309 174.226 174.600 -0.107 0.000 1.280 288 S CA -0.763 57.317 58.200 -0.201 0.000 0.946 288 S CB -0.899 62.260 63.200 -0.069 0.000 1.501 288 S HN 0.360 nan 8.310 nan 0.000 0.498 289 Y N 2.268 122.661 120.300 0.154 0.000 2.316 289 Y HA 0.617 5.167 4.550 -0.000 0.000 0.324 289 Y C 0.150 176.236 175.900 0.310 0.000 1.267 289 Y CA -1.258 56.954 58.100 0.186 0.000 1.311 289 Y CB 0.797 39.306 38.460 0.082 0.000 1.267 289 Y HN 0.715 nan 8.280 nan 0.000 0.516 290 F N 0.798 120.926 119.950 0.296 0.000 2.650 290 F HA 0.711 5.238 4.527 -0.000 0.000 0.310 290 F C -3.558 172.366 175.800 0.206 0.000 1.112 290 F CA -2.625 55.502 58.000 0.213 0.000 0.986 290 F CB 1.684 40.833 39.000 0.248 0.000 1.285 290 F HN 0.107 nan 8.300 nan 0.000 0.440 291 P HA 0.389 nan 4.420 nan 0.000 0.287 291 P C -1.172 176.123 177.300 -0.009 0.000 1.279 291 P CA -0.388 62.687 63.100 -0.043 0.000 0.867 291 P CB 2.217 33.895 31.700 -0.036 0.000 1.127 292 T N 3.375 117.952 114.554 0.037 0.000 2.767 292 T HA 0.420 4.770 4.350 -0.000 0.000 0.284 292 T C -2.119 172.566 174.700 -0.025 0.000 0.973 292 T CA -1.289 60.868 62.100 0.096 0.000 0.996 292 T CB 0.871 69.862 68.868 0.206 0.000 0.927 292 T HN 0.392 nan 8.240 nan 0.000 0.456 293 P HA 0.490 nan 4.420 nan 0.000 0.282 293 P C -0.740 176.400 177.300 -0.266 0.000 1.287 293 P CA -0.615 62.407 63.100 -0.130 0.000 0.792 293 P CB 1.097 32.782 31.700 -0.025 0.000 1.163 294 S N -2.072 113.314 115.700 -0.523 0.000 2.542 294 S HA 0.562 5.032 4.470 -0.000 0.000 0.276 294 S C 0.132 174.411 174.600 -0.534 0.000 1.148 294 S CA -0.279 57.517 58.200 -0.673 0.000 0.886 294 S CB 0.545 63.045 63.200 -1.167 0.000 1.109 294 S HN 0.553 nan 8.310 nan 0.000 0.458 295 G N 1.334 110.028 108.800 -0.177 0.000 3.453 295 G HA2 0.437 4.397 3.960 -0.000 0.000 0.263 295 G HA3 0.437 4.397 3.960 -0.000 0.000 0.263 295 G C 0.658 175.616 174.900 0.096 0.000 1.060 295 G CA 0.776 45.882 45.100 0.010 0.000 0.793 295 G HN 1.481 nan 8.290 nan 0.000 0.532 296 S N -0.833 114.945 115.700 0.130 0.000 4.140 296 S HA -0.309 4.161 4.470 -0.000 0.000 0.618 296 S C 0.446 175.148 174.600 0.169 0.000 1.896 296 S CA 1.437 59.826 58.200 0.314 0.000 4.240 296 S CB -1.173 62.281 63.200 0.423 0.000 0.208 296 S HN 0.584 nan 8.310 nan 0.000 0.487 297 M N 2.066 121.750 119.600 0.140 0.000 2.311 297 M HA 0.595 5.075 4.480 -0.000 0.000 0.325 297 M C -0.800 175.543 176.300 0.073 0.000 1.061 297 M CA -0.685 54.671 55.300 0.093 0.000 0.957 297 M CB 1.557 34.204 32.600 0.078 0.000 1.646 297 M HN 0.589 nan 8.290 nan 0.000 0.434 298 V N 1.682 121.633 119.914 0.062 0.000 2.567 298 V HA 0.902 5.022 4.120 -0.000 0.000 0.289 298 V C -0.134 175.985 176.094 0.041 0.000 1.049 298 V CA -0.415 61.917 62.300 0.054 0.000 0.969 298 V CB 0.921 32.777 31.823 0.056 0.000 0.995 298 V HN 0.932 nan 8.190 nan 0.000 0.471 299 T N -0.556 114.018 114.554 0.033 0.000 2.894 299 T HA 0.383 4.733 4.350 -0.000 0.000 0.309 299 T C 0.608 175.319 174.700 0.019 0.000 1.208 299 T CA 0.051 62.166 62.100 0.024 0.000 1.016 299 T CB 1.575 70.455 68.868 0.019 0.000 1.192 299 T HN 0.522 nan 8.240 nan 0.000 0.491 300 S N 0.686 116.395 115.700 0.015 0.000 2.442 300 S HA -0.092 4.378 4.470 -0.000 0.000 0.236 300 S C 1.314 175.917 174.600 0.005 0.000 1.007 300 S CA 1.263 59.471 58.200 0.012 0.000 0.965 300 S CB -0.363 62.843 63.200 0.009 0.000 0.773 300 S HN 0.785 nan 8.310 nan 0.000 0.504 301 D N 1.604 122.006 120.400 0.003 0.000 2.213 301 D HA 0.101 4.740 4.640 -0.000 0.000 0.205 301 D C 2.115 178.409 176.300 -0.011 0.000 0.961 301 D CA 0.902 54.900 54.000 -0.003 0.000 0.853 301 D CB -0.118 40.682 40.800 -0.001 0.000 0.967 301 D HN 0.443 nan 8.370 nan 0.000 0.496 302 A N 1.127 123.942 122.820 -0.009 0.000 1.897 302 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 302 A C 1.157 178.712 177.584 -0.049 0.000 1.181 302 A CA 0.485 52.510 52.037 -0.020 0.000 0.620 302 A CB -0.313 18.685 19.000 -0.004 0.000 0.821 302 A HN 0.030 nan 8.150 nan 0.000 0.443 303 Q N -0.344 119.431 119.800 -0.042 0.000 3.744 303 Q HA -0.161 4.178 4.340 -0.000 0.000 0.396 303 Q C 0.649 176.564 176.000 -0.142 0.000 1.057 303 Q CA 0.776 56.537 55.803 -0.070 0.000 1.174 303 Q CB -0.034 28.696 28.738 -0.014 0.000 1.205 303 Q HN 0.740 nan 8.270 nan 0.000 0.535 304 I N 2.335 122.700 120.570 -0.341 0.000 3.265 304 I HA 0.025 4.195 4.170 -0.000 0.000 0.282 304 I C 0.219 176.114 176.117 -0.371 0.000 1.207 304 I CA 0.184 61.215 61.300 -0.449 0.000 1.449 304 I CB 0.398 37.945 38.000 -0.755 0.000 1.121 304 I HN 0.364 nan 8.210 nan 0.000 0.442 305 F N 1.149 121.147 119.950 0.079 0.000 2.294 305 F HA 0.294 4.821 4.527 -0.000 0.000 0.319 305 F C 1.195 176.951 175.800 -0.075 0.000 1.107 305 F CA -0.447 57.562 58.000 0.016 0.000 1.094 305 F CB -0.001 38.984 39.000 -0.025 0.000 1.508 305 F HN -0.028 nan 8.300 nan 0.000 0.506 306 N N -0.380 118.372 118.700 0.087 0.000 2.741 306 N HA -0.214 4.526 4.740 -0.000 0.000 0.250 306 N C -1.386 174.055 175.510 -0.115 0.000 1.115 306 N CA 0.608 53.625 53.050 -0.055 0.000 0.724 306 N CB -0.941 37.534 38.487 -0.020 0.000 1.090 306 N HN 0.401 nan 8.380 nan 0.000 0.558 307 K N -0.292 119.978 120.400 -0.216 0.000 2.469 307 K HA 0.469 4.789 4.320 -0.000 0.000 0.254 307 K C -2.729 173.583 176.600 -0.479 0.000 0.939 307 K CA -1.865 54.289 56.287 -0.221 0.000 0.812 307 K CB 2.453 34.921 32.500 -0.054 0.000 1.301 307 K HN -0.191 nan 8.250 nan 0.000 0.433 308 P HA 0.068 nan 4.420 nan 0.000 0.276 308 P C -1.273 175.582 177.300 -0.742 0.000 1.230 308 P CA 0.057 62.706 63.100 -0.752 0.000 0.776 308 P CB 0.336 31.590 31.700 -0.742 0.000 0.888 309 Y N 1.192 120.982 120.300 -0.850 0.000 2.328 309 Y HA 0.291 4.841 4.550 -0.000 0.000 0.337 309 Y C -0.067 175.302 175.900 -0.885 0.000 0.966 309 Y CA -0.970 56.679 58.100 -0.752 0.000 1.136 309 Y CB 1.290 39.294 38.460 -0.760 0.000 1.170 309 Y HN 0.341 nan 8.280 nan 0.000 0.470 310 W N 5.688 126.969 121.300 -0.032 0.000 2.278 310 W HA 0.474 5.134 4.660 -0.000 0.000 0.317 310 W C -0.698 175.772 176.519 -0.082 0.000 1.030 310 W CA -1.004 56.304 57.345 -0.061 0.000 1.334 310 W CB 0.827 30.291 29.460 0.008 0.000 1.215 310 W HN 0.395 nan 8.180 nan 0.000 0.405 311 L N 2.351 123.591 121.223 0.030 0.000 2.466 311 L HA 0.309 4.649 4.340 -0.000 0.000 0.248 311 L C 1.439 178.352 176.870 0.070 0.000 1.240 311 L CA -0.462 54.391 54.840 0.020 0.000 1.180 311 L CB -0.095 41.918 42.059 -0.077 0.000 1.413 311 L HN 0.582 nan 8.230 nan 0.000 0.406 312 Q N 0.655 120.534 119.800 0.132 0.000 2.046 312 Q HA -0.007 4.333 4.340 -0.000 0.000 0.200 312 Q C 0.107 176.147 176.000 0.067 0.000 0.975 312 Q CA 0.887 56.752 55.803 0.104 0.000 0.836 312 Q CB -0.122 28.680 28.738 0.105 0.000 0.896 312 Q HN 0.532 nan 8.270 nan 0.000 0.428 313 R N 0.382 120.931 120.500 0.081 0.000 2.513 313 R HA 0.583 4.923 4.340 -0.000 0.000 0.301 313 R C -1.278 175.080 176.300 0.097 0.000 0.968 313 R CA -0.004 56.136 56.100 0.066 0.000 0.872 313 R CB 1.909 32.245 30.300 0.060 0.000 1.177 313 R HN 0.357 nan 8.270 nan 0.000 0.444 314 A N 2.010 124.876 122.820 0.076 0.000 2.407 314 A HA 0.133 4.453 4.320 -0.000 0.000 0.248 314 A C 0.920 178.596 177.584 0.153 0.000 1.082 314 A CA -0.250 51.867 52.037 0.133 0.000 0.785 314 A CB 0.510 19.573 19.000 0.105 0.000 1.020 314 A HN 0.870 nan 8.150 nan 0.000 0.489 315 Q N 2.297 122.232 119.800 0.225 0.000 2.079 315 Q HA 0.166 4.506 4.340 -0.000 0.000 0.200 315 Q C 0.885 176.963 176.000 0.130 0.000 0.974 315 Q CA 1.496 57.408 55.803 0.182 0.000 0.840 315 Q CB -0.639 28.246 28.738 0.245 0.000 0.898 315 Q HN 0.757 nan 8.270 nan 0.000 0.430 316 G N -1.304 107.604 108.800 0.181 0.000 2.613 316 G HA2 0.307 4.267 3.960 -0.000 0.000 0.303 316 G HA3 0.307 4.267 3.960 -0.000 0.000 0.303 316 G C -0.553 174.426 174.900 0.132 0.000 1.312 316 G CA -0.366 44.828 45.100 0.157 0.000 1.036 316 G HN 0.346 nan 8.290 nan 0.000 0.513 317 H N -0.855 118.330 119.070 0.193 0.000 2.457 317 H HA -0.059 4.496 4.556 -0.000 0.000 0.297 317 H C 1.191 176.665 175.328 0.244 0.000 1.092 317 H CA 1.191 57.362 56.048 0.206 0.000 1.309 317 H CB 0.262 30.164 29.762 0.234 0.000 1.382 317 H HN 0.314 nan 8.280 nan 0.000 0.535 318 N N 1.327 120.282 118.700 0.425 0.000 2.408 318 N HA -0.065 4.675 4.740 -0.000 0.000 0.257 318 N C -0.866 174.781 175.510 0.228 0.000 1.064 318 N CA -0.074 53.212 53.050 0.395 0.000 0.952 318 N CB 0.333 39.136 38.487 0.526 0.000 1.093 318 N HN 0.158 nan 8.380 nan 0.000 0.490 319 N N 2.799 121.529 118.700 0.050 0.000 3.034 319 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 319 N C 0.197 175.520 175.510 -0.312 0.000 1.166 319 N CA 0.073 53.065 53.050 -0.097 0.000 1.081 319 N CB -0.308 38.136 38.487 -0.072 0.000 1.378 319 N HN 0.817 nan 8.380 nan 0.000 0.520 320 G N 2.855 111.184 108.800 -0.785 0.000 2.396 320 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.288 320 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.288 320 G C 0.200 174.875 174.900 -0.375 0.000 0.926 320 G CA -0.051 44.305 45.100 -1.241 0.000 1.211 320 G HN 0.489 nan 8.290 nan 0.000 0.496 321 I N 0.508 120.938 120.570 -0.234 0.000 2.301 321 I HA 0.126 4.296 4.170 -0.000 0.000 0.292 321 I C 0.886 176.826 176.117 -0.295 0.000 1.046 321 I CA -0.875 60.194 61.300 -0.385 0.000 1.282 321 I CB 0.853 38.400 38.000 -0.756 0.000 1.409 321 I HN 0.212 nan 8.210 nan 0.000 0.484 322 C N 6.480 125.722 119.300 -0.096 0.000 2.400 322 C HA 0.154 4.613 4.460 -0.000 0.000 0.457 322 C C 0.485 175.510 174.990 0.057 0.000 1.020 322 C CA -1.147 57.915 59.018 0.073 0.000 1.258 322 C CB -2.173 25.666 27.740 0.164 0.000 1.532 322 C HN 0.603 nan 8.230 nan 0.000 0.537 323 W N 1.863 123.266 121.300 0.172 0.000 2.343 323 W HA 0.156 4.816 4.660 -0.000 0.000 0.337 323 W C 1.195 177.738 176.519 0.040 0.000 1.320 323 W CA 0.536 57.925 57.345 0.075 0.000 1.290 323 W CB 0.074 29.545 29.460 0.018 0.000 1.206 323 W HN 0.759 nan 8.180 nan 0.000 0.565 324 S N 2.435 118.291 115.700 0.261 0.000 3.909 324 S HA -0.264 4.206 4.470 -0.000 0.000 0.326 324 S C 0.075 174.752 174.600 0.129 0.000 1.083 324 S CA 0.408 58.680 58.200 0.120 0.000 0.939 324 S CB -1.973 61.280 63.200 0.088 0.000 0.886 324 S HN 0.789 nan 8.310 nan 0.000 0.496 325 N N 0.003 118.793 118.700 0.150 0.000 2.696 325 N HA -0.247 4.493 4.740 -0.000 0.000 0.254 325 N C -0.157 175.367 175.510 0.023 0.000 0.988 325 N CA 1.424 54.531 53.050 0.095 0.000 0.775 325 N CB -0.536 37.994 38.487 0.072 0.000 0.933 325 N HN 0.824 nan 8.380 nan 0.000 0.539 326 Q N -0.311 119.533 119.800 0.073 0.000 2.389 326 Q HA 0.725 5.065 4.340 -0.000 0.000 0.277 326 Q C -1.152 174.920 176.000 0.120 0.000 1.082 326 Q CA -0.614 55.229 55.803 0.067 0.000 0.810 326 Q CB 2.258 31.095 28.738 0.165 0.000 1.374 326 Q HN 0.236 nan 8.270 nan 0.000 0.422 327 L N 2.206 123.447 121.223 0.029 0.000 2.472 327 L HA 0.550 4.890 4.340 -0.000 0.000 0.260 327 L C -1.680 175.177 176.870 -0.023 0.000 0.963 327 L CA -0.618 54.281 54.840 0.099 0.000 0.829 327 L CB 1.924 44.006 42.059 0.037 0.000 1.348 327 L HN 0.621 nan 8.230 nan 0.000 0.408 328 F N 2.536 122.492 119.950 0.009 0.000 2.496 328 F HA 0.392 4.919 4.527 -0.000 0.000 0.341 328 F C -0.086 175.753 175.800 0.066 0.000 1.134 328 F CA -0.620 57.358 58.000 -0.036 0.000 0.968 328 F CB 1.928 40.824 39.000 -0.175 0.000 1.205 328 F HN -0.085 nan 8.300 nan 0.000 0.436 329 V N 3.595 123.683 119.914 0.289 0.000 2.277 329 V HA 0.274 4.394 4.120 -0.000 0.000 0.269 329 V C -0.081 176.215 176.094 0.336 0.000 1.036 329 V CA -0.435 62.075 62.300 0.350 0.000 0.821 329 V CB 0.928 32.979 31.823 0.379 0.000 1.052 329 V HN 0.748 nan 8.190 nan 0.000 0.462 330 T N 4.082 118.787 114.554 0.251 0.000 2.889 330 T HA 0.672 5.022 4.350 -0.000 0.000 0.291 330 T C -0.273 174.574 174.700 0.244 0.000 0.995 330 T CA -0.433 61.784 62.100 0.194 0.000 1.092 330 T CB 1.812 70.774 68.868 0.158 0.000 0.954 330 T HN 0.313 nan 8.240 nan 0.000 0.506 331 V N 2.710 122.740 119.914 0.195 0.000 2.924 331 V HA 0.491 4.611 4.120 -0.000 0.000 0.300 331 V C -0.863 175.308 176.094 0.128 0.000 1.227 331 V CA -0.791 61.644 62.300 0.225 0.000 0.954 331 V CB 2.402 34.373 31.823 0.247 0.000 1.055 331 V HN 0.779 nan 8.190 nan 0.000 0.429 332 V N 2.732 122.751 119.914 0.175 0.000 2.876 332 V HA 0.803 4.923 4.120 -0.000 0.000 0.312 332 V C -1.368 174.873 176.094 0.245 0.000 1.085 332 V CA -0.460 61.878 62.300 0.063 0.000 0.945 332 V CB 2.290 34.017 31.823 -0.160 0.000 1.017 332 V HN 0.985 nan 8.190 nan 0.000 0.428 333 D N 1.384 121.901 120.400 0.196 0.000 2.300 333 D HA 0.198 4.838 4.640 -0.000 0.000 0.218 333 D C 0.350 176.769 176.300 0.198 0.000 1.326 333 D CA 0.110 54.280 54.000 0.282 0.000 0.942 333 D CB 1.514 42.508 40.800 0.322 0.000 1.495 333 D HN 0.604 nan 8.370 nan 0.000 0.545 334 T N -0.687 113.976 114.554 0.182 0.000 3.163 334 T HA 0.064 4.414 4.350 -0.000 0.000 0.252 334 T C 1.555 176.344 174.700 0.149 0.000 1.056 334 T CA 0.623 62.824 62.100 0.169 0.000 0.947 334 T CB -0.058 68.907 68.868 0.161 0.000 1.016 334 T HN 0.351 nan 8.240 nan 0.000 0.554 335 T N 0.075 114.720 114.554 0.151 0.000 3.055 335 T HA 0.119 4.469 4.350 -0.000 0.000 0.265 335 T C 1.678 176.436 174.700 0.097 0.000 1.111 335 T CA 0.014 62.184 62.100 0.116 0.000 1.118 335 T CB -0.192 68.747 68.868 0.117 0.000 0.909 335 T HN 0.426 nan 8.240 nan 0.000 0.501 336 R N 0.962 121.532 120.500 0.116 0.000 2.509 336 R HA 0.231 4.571 4.340 -0.000 0.000 0.297 336 R C 1.947 178.340 176.300 0.154 0.000 0.951 336 R CA 0.518 56.683 56.100 0.107 0.000 1.103 336 R CB 0.253 30.607 30.300 0.091 0.000 1.283 336 R HN 0.508 nan 8.270 nan 0.000 0.534 337 S N 0.937 116.740 115.700 0.171 0.000 2.592 337 S HA -0.139 4.331 4.470 -0.000 0.000 0.256 337 S C 0.818 175.296 174.600 -0.204 0.000 0.974 337 S CA 0.713 59.010 58.200 0.163 0.000 0.963 337 S CB -1.125 62.167 63.200 0.154 0.000 0.750 337 S HN 0.271 nan 8.310 nan 0.000 0.538 338 T N 2.566 116.996 114.554 -0.207 0.000 2.704 338 T HA 0.054 4.404 4.350 -0.000 0.000 0.271 338 T C -0.208 174.201 174.700 -0.484 0.000 1.000 338 T CA -0.232 61.703 62.100 -0.274 0.000 1.216 338 T CB -0.811 67.972 68.868 -0.141 0.000 0.961 338 T HN 0.578 nan 8.240 nan 0.000 0.515 339 N N 4.088 122.570 118.700 -0.363 0.000 2.527 339 N HA 0.343 5.083 4.740 -0.000 0.000 0.236 339 N C 0.408 175.797 175.510 -0.202 0.000 0.999 339 N CA -0.740 52.106 53.050 -0.340 0.000 0.935 339 N CB 0.793 39.074 38.487 -0.343 0.000 1.132 339 N HN 0.717 nan 8.380 nan 0.000 0.511 340 M N 0.242 119.753 119.600 -0.149 0.000 2.246 340 M HA 0.213 4.692 4.480 -0.000 0.000 0.350 340 M C -0.323 175.930 176.300 -0.078 0.000 1.406 340 M CA -0.192 55.057 55.300 -0.084 0.000 1.089 340 M CB 0.325 32.898 32.600 -0.045 0.000 1.782 340 M HN 0.322 nan 8.290 nan 0.000 0.457 341 S N 3.802 119.470 115.700 -0.054 0.000 2.452 341 S HA 0.609 5.079 4.470 -0.000 0.000 0.284 341 S C -0.016 174.597 174.600 0.022 0.000 1.171 341 S CA -0.923 57.262 58.200 -0.025 0.000 1.064 341 S CB 1.102 64.287 63.200 -0.026 0.000 0.967 341 S HN 0.790 nan 8.310 nan 0.000 0.484 342 V N 0.410 120.368 119.914 0.073 0.000 2.630 342 V HA 0.758 4.878 4.120 -0.000 0.000 0.305 342 V C -0.046 176.150 176.094 0.170 0.000 1.046 342 V CA -1.041 61.320 62.300 0.103 0.000 0.934 342 V CB 0.797 32.676 31.823 0.094 0.000 1.003 342 V HN 1.106 nan 8.190 nan 0.000 0.451 343 C N 4.384 123.777 119.300 0.156 0.000 2.301 343 C HA 0.804 5.264 4.460 -0.000 0.000 0.323 343 C C 0.158 175.295 174.990 0.245 0.000 1.265 343 C CA 0.242 59.374 59.018 0.191 0.000 1.503 343 C CB 0.190 28.009 27.740 0.132 0.000 2.195 343 C HN 1.240 nan 8.230 nan 0.000 0.477 344 S N 4.156 120.034 115.700 0.296 0.000 2.503 344 S HA 0.820 5.290 4.470 -0.000 0.000 0.301 344 S C -0.152 174.557 174.600 0.180 0.000 1.087 344 S CA -0.186 58.156 58.200 0.236 0.000 1.042 344 S CB 1.435 64.768 63.200 0.221 0.000 1.043 344 S HN 1.368 nan 8.310 nan 0.000 0.489 345 A N 3.534 126.391 122.820 0.063 0.000 2.327 345 A HA 0.517 4.837 4.320 -0.000 0.000 0.283 345 A C 1.157 178.645 177.584 -0.160 0.000 1.127 345 A CA -0.589 51.331 52.037 -0.195 0.000 0.810 345 A CB 0.427 19.253 19.000 -0.291 0.000 1.066 345 A HN 0.900 nan 8.150 nan 0.000 0.492 346 V N 1.658 121.431 119.914 -0.234 0.000 2.427 346 V HA -0.031 4.089 4.120 -0.000 0.000 0.248 346 V C 1.071 177.079 176.094 -0.143 0.000 1.051 346 V CA 2.046 64.258 62.300 -0.147 0.000 1.048 346 V CB -0.921 30.810 31.823 -0.153 0.000 0.666 346 V HN 1.141 nan 8.190 nan 0.000 0.456 347 S N -1.176 114.400 115.700 -0.207 0.000 2.616 347 S HA 0.215 4.685 4.470 -0.000 0.000 0.276 347 S C 0.190 174.689 174.600 -0.169 0.000 1.159 347 S CA 0.060 58.170 58.200 -0.150 0.000 1.000 347 S CB 1.424 64.554 63.200 -0.118 0.000 1.117 347 S HN 0.362 nan 8.310 nan 0.000 0.464 348 S N 1.816 117.451 115.700 -0.109 0.000 2.786 348 S HA 0.011 4.481 4.470 -0.000 0.000 0.223 348 S C 1.519 176.092 174.600 -0.045 0.000 0.956 348 S CA 0.291 58.447 58.200 -0.073 0.000 0.961 348 S CB -0.767 62.417 63.200 -0.027 0.000 0.784 348 S HN 1.238 nan 8.310 nan 0.000 0.519 349 S N 0.582 116.248 115.700 -0.057 0.000 2.489 349 S HA 0.028 4.498 4.470 -0.000 0.000 0.228 349 S C 0.244 174.827 174.600 -0.030 0.000 0.995 349 S CA -0.104 58.074 58.200 -0.037 0.000 0.934 349 S CB -0.297 62.879 63.200 -0.039 0.000 0.771 349 S HN 0.476 nan 8.310 nan 0.000 0.522 350 D N 1.803 122.177 120.400 -0.042 0.000 2.340 350 D HA 0.401 5.041 4.640 -0.000 0.000 0.251 350 D C 0.634 176.940 176.300 0.009 0.000 1.080 350 D CA 0.013 53.998 54.000 -0.024 0.000 0.971 350 D CB 1.628 42.401 40.800 -0.045 0.000 1.137 350 D HN 0.377 nan 8.370 nan 0.000 0.475 351 S N -1.780 113.936 115.700 0.027 0.000 2.666 351 S HA 0.174 4.644 4.470 -0.000 0.000 0.239 351 S C 0.319 174.966 174.600 0.077 0.000 1.031 351 S CA -0.353 57.877 58.200 0.050 0.000 1.015 351 S CB 0.310 63.532 63.200 0.037 0.000 0.981 351 S HN 0.310 nan 8.310 nan 0.000 0.547 352 T N 1.752 116.355 114.554 0.082 0.000 2.887 352 T HA 0.439 4.788 4.350 -0.000 0.000 0.288 352 T C -1.541 173.251 174.700 0.153 0.000 1.021 352 T CA -0.492 61.674 62.100 0.111 0.000 1.000 352 T CB 1.335 70.250 68.868 0.078 0.000 1.034 352 T HN 0.303 nan 8.240 nan 0.000 0.467 353 Y N 2.837 123.201 120.300 0.107 0.000 2.393 353 Y HA 0.407 4.957 4.550 -0.000 0.000 0.338 353 Y C 0.020 176.019 175.900 0.164 0.000 1.029 353 Y CA 0.088 58.284 58.100 0.161 0.000 1.239 353 Y CB 0.230 38.732 38.460 0.069 0.000 1.170 353 Y HN 0.420 nan 8.280 nan 0.000 0.515 354 K N 5.430 125.710 120.400 -0.199 0.000 2.578 354 K HA 0.213 4.533 4.320 -0.000 0.000 0.250 354 K C 0.203 176.745 176.600 -0.097 0.000 0.955 354 K CA -0.665 55.566 56.287 -0.092 0.000 0.825 354 K CB 1.492 33.972 32.500 -0.034 0.000 1.151 354 K HN 0.718 nan 8.250 nan 0.000 0.432 355 N N 1.556 120.253 118.700 -0.005 0.000 2.069 355 N HA -0.258 4.482 4.740 -0.000 0.000 0.196 355 N C 0.749 176.315 175.510 0.093 0.000 1.024 355 N CA 1.874 54.980 53.050 0.094 0.000 0.869 355 N CB 0.015 38.570 38.487 0.115 0.000 1.035 355 N HN 0.568 nan 8.380 nan 0.000 0.434 356 D N -0.112 120.307 120.400 0.032 0.000 2.182 356 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 356 D C 1.208 177.470 176.300 -0.063 0.000 0.986 356 D CA 0.908 54.905 54.000 -0.005 0.000 0.847 356 D CB -0.468 40.319 40.800 -0.021 0.000 0.942 356 D HN 0.340 nan 8.370 nan 0.000 0.467 357 N N -0.897 117.713 118.700 -0.151 0.000 2.521 357 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 357 N C -0.703 174.409 175.510 -0.663 0.000 1.146 357 N CA 0.205 53.012 53.050 -0.404 0.000 0.893 357 N CB 0.126 38.276 38.487 -0.561 0.000 0.975 357 N HN -0.075 nan 8.380 nan 0.000 0.451 358 F N -0.388 119.495 119.950 -0.111 0.000 2.577 358 F HA 0.518 5.045 4.527 -0.000 0.000 0.318 358 F C 0.024 175.795 175.800 -0.049 0.000 1.065 358 F CA -0.983 56.978 58.000 -0.065 0.000 0.929 358 F CB 1.768 40.727 39.000 -0.068 0.000 1.237 358 F HN -0.395 nan 8.300 nan 0.000 0.468 359 K N 1.637 122.151 120.400 0.190 0.000 2.443 359 K HA 0.419 4.739 4.320 -0.000 0.000 0.252 359 K C -1.211 175.369 176.600 -0.033 0.000 0.933 359 K CA -0.931 55.353 56.287 -0.004 0.000 0.792 359 K CB 2.481 34.949 32.500 -0.053 0.000 1.185 359 K HN 0.539 nan 8.250 nan 0.000 0.425 360 E N 2.503 122.582 120.200 -0.201 0.000 2.199 360 E HA 0.326 4.676 4.350 -0.000 0.000 0.269 360 E C -1.110 175.311 176.600 -0.298 0.000 0.899 360 E CA -0.584 55.756 56.400 -0.101 0.000 0.772 360 E CB 1.704 31.387 29.700 -0.028 0.000 1.155 360 E HN 0.408 nan 8.360 nan 0.000 0.408 361 Y N 0.560 120.882 120.300 0.036 0.000 2.545 361 Y HA 0.444 4.994 4.550 -0.000 0.000 0.348 361 Y C -0.071 175.787 175.900 -0.071 0.000 1.002 361 Y CA -0.900 57.215 58.100 0.024 0.000 1.039 361 Y CB 1.729 40.211 38.460 0.037 0.000 1.271 361 Y HN 0.274 nan 8.280 nan 0.000 0.467 362 L N 3.690 124.891 121.223 -0.036 0.000 2.307 362 L HA 0.666 5.006 4.340 -0.000 0.000 0.284 362 L C -0.591 176.082 176.870 -0.329 0.000 1.023 362 L CA -0.798 53.861 54.840 -0.301 0.000 0.810 362 L CB 1.034 42.711 42.059 -0.637 0.000 1.231 362 L HN 0.486 nan 8.230 nan 0.000 0.423 363 R N 1.736 122.113 120.500 -0.205 0.000 2.574 363 R HA 0.405 4.745 4.340 -0.000 0.000 0.288 363 R C -1.422 174.851 176.300 -0.046 0.000 1.004 363 R CA -0.804 55.226 56.100 -0.117 0.000 0.895 363 R CB 2.016 32.294 30.300 -0.035 0.000 1.191 363 R HN 0.657 nan 8.270 nan 0.000 0.444 364 H N -0.062 118.943 119.070 -0.109 0.000 2.547 364 H HA 0.585 5.141 4.556 -0.000 0.000 0.342 364 H C -0.558 174.776 175.328 0.010 0.000 1.048 364 H CA -0.737 55.282 56.048 -0.049 0.000 1.204 364 H CB 1.863 31.596 29.762 -0.049 0.000 1.493 364 H HN 0.774 nan 8.280 nan 0.000 0.511 365 G N 3.954 112.951 108.800 0.329 0.000 2.533 365 G HA2 0.183 4.143 3.960 -0.000 0.000 0.310 365 G HA3 0.183 4.143 3.960 -0.000 0.000 0.310 365 G C -0.773 174.192 174.900 0.109 0.000 1.266 365 G CA -0.511 44.674 45.100 0.141 0.000 0.967 365 G HN 0.532 nan 8.290 nan 0.000 0.493 366 E N 0.626 120.853 120.200 0.045 0.000 2.373 366 E HA 0.388 4.738 4.350 -0.000 0.000 0.263 366 E C -0.119 176.627 176.600 0.243 0.000 1.073 366 E CA -0.159 56.329 56.400 0.147 0.000 0.894 366 E CB 1.268 31.126 29.700 0.264 0.000 1.008 366 E HN 0.611 nan 8.360 nan 0.000 0.420 367 E N 2.311 122.618 120.200 0.178 0.000 2.281 367 E HA 0.241 4.591 4.350 -0.000 0.000 0.266 367 E C -1.458 175.133 176.600 -0.016 0.000 0.893 367 E CA -0.441 56.037 56.400 0.130 0.000 0.798 367 E CB 0.542 30.263 29.700 0.034 0.000 1.245 367 E HN 0.392 nan 8.360 nan 0.000 0.410 368 Y N 1.700 121.955 120.300 -0.074 0.000 2.650 368 Y HA 0.548 5.098 4.550 -0.000 0.000 0.331 368 Y C -0.490 175.288 175.900 -0.203 0.000 1.082 368 Y CA -0.730 57.251 58.100 -0.199 0.000 1.171 368 Y CB 2.127 40.389 38.460 -0.329 0.000 1.326 368 Y HN 0.584 nan 8.280 nan 0.000 0.513 369 D N 0.413 120.745 120.400 -0.112 0.000 2.804 369 D HA 0.414 5.054 4.640 -0.000 0.000 0.209 369 D C -2.096 174.042 176.300 -0.271 0.000 1.314 369 D CA -0.270 53.638 54.000 -0.154 0.000 0.894 369 D CB 0.915 41.638 40.800 -0.128 0.000 1.615 369 D HN 0.438 nan 8.370 nan 0.000 0.571 370 L N 3.983 125.021 121.223 -0.308 0.000 2.345 370 L HA 0.434 4.774 4.340 -0.000 0.000 0.274 370 L C -0.177 176.347 176.870 -0.577 0.000 0.999 370 L CA -0.650 53.890 54.840 -0.499 0.000 0.849 370 L CB 1.510 43.331 42.059 -0.396 0.000 1.220 370 L HN 0.415 nan 8.230 nan 0.000 0.422 371 Q N 2.774 122.112 119.800 -0.771 0.000 2.215 371 Q HA 0.734 5.074 4.340 -0.000 0.000 0.256 371 Q C -1.331 173.905 176.000 -1.274 0.000 0.972 371 Q CA -0.561 54.787 55.803 -0.758 0.000 0.889 371 Q CB 2.541 30.964 28.738 -0.525 0.000 1.281 371 Q HN 0.322 nan 8.270 nan 0.000 0.456 372 F N -0.285 119.234 119.950 -0.718 0.000 2.789 372 F HA 0.621 5.148 4.527 -0.000 0.000 0.319 372 F C -0.763 174.458 175.800 -0.964 0.000 1.168 372 F CA -0.868 56.643 58.000 -0.815 0.000 0.934 372 F CB 1.550 39.973 39.000 -0.960 0.000 1.375 372 F HN 0.293 nan 8.300 nan 0.000 0.480 373 I N 1.299 121.401 120.570 -0.780 0.000 2.651 373 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 373 I C -1.571 174.168 176.117 -0.631 0.000 1.244 373 I CA -0.084 60.834 61.300 -0.636 0.000 1.061 373 I CB 1.562 39.285 38.000 -0.460 0.000 1.286 373 I HN 0.352 nan 8.210 nan 0.000 0.434 374 F N 3.484 123.302 119.950 -0.219 0.000 2.671 374 F HA 0.633 5.160 4.527 -0.000 0.000 0.373 374 F C 0.105 175.924 175.800 0.031 0.000 1.122 374 F CA -0.646 57.312 58.000 -0.070 0.000 1.082 374 F CB 1.060 39.996 39.000 -0.107 0.000 1.399 374 F HN 0.261 nan 8.300 nan 0.000 0.509 375 Q N 0.853 120.856 119.800 0.339 0.000 2.359 375 Q HA 0.491 4.831 4.340 -0.000 0.000 0.274 375 Q C -1.821 174.224 176.000 0.074 0.000 1.074 375 Q CA -1.146 54.623 55.803 -0.056 0.000 0.810 375 Q CB 2.993 31.567 28.738 -0.273 0.000 1.342 375 Q HN 0.644 nan 8.270 nan 0.000 0.427 376 L N 2.823 123.953 121.223 -0.154 0.000 2.290 376 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 376 L C -1.446 175.187 176.870 -0.395 0.000 1.078 376 L CA 0.219 54.783 54.840 -0.460 0.000 0.815 376 L CB 0.632 42.260 42.059 -0.717 0.000 1.162 376 L HN 0.700 nan 8.230 nan 0.000 0.435 377 C N 4.021 123.071 119.300 -0.417 0.000 2.707 377 C HA 0.712 5.172 4.460 -0.000 0.000 0.313 377 C C -0.479 174.348 174.990 -0.272 0.000 1.209 377 C CA -1.094 57.760 59.018 -0.273 0.000 1.635 377 C CB 1.873 29.510 27.740 -0.171 0.000 2.206 377 C HN 0.890 nan 8.230 nan 0.000 0.485 378 K N 1.164 121.462 120.400 -0.169 0.000 2.259 378 K HA 0.891 5.211 4.320 -0.000 0.000 0.252 378 K C -1.596 174.993 176.600 -0.019 0.000 0.936 378 K CA -0.379 55.820 56.287 -0.146 0.000 0.810 378 K CB 1.309 33.738 32.500 -0.119 0.000 1.143 378 K HN 0.702 nan 8.250 nan 0.000 0.427 379 I N 2.102 122.675 120.570 0.004 0.000 2.498 379 I HA 0.187 4.357 4.170 -0.000 0.000 0.290 379 I C -0.711 175.453 176.117 0.078 0.000 1.032 379 I CA -0.986 60.384 61.300 0.117 0.000 1.073 379 I CB 2.533 40.676 38.000 0.238 0.000 1.251 379 I HN 0.681 nan 8.210 nan 0.000 0.426 380 T N 6.885 121.504 114.554 0.110 0.000 2.743 380 T HA 0.450 4.800 4.350 -0.000 0.000 0.293 380 T C 0.004 174.754 174.700 0.084 0.000 0.945 380 T CA -0.441 61.705 62.100 0.077 0.000 1.030 380 T CB 0.519 69.431 68.868 0.073 0.000 0.912 380 T HN 0.261 nan 8.240 nan 0.000 0.483 381 L N 4.944 126.199 121.223 0.054 0.000 2.342 381 L HA 0.323 4.663 4.340 -0.000 0.000 0.285 381 L C 1.286 178.194 176.870 0.063 0.000 1.095 381 L CA -0.398 54.487 54.840 0.076 0.000 0.843 381 L CB -0.273 41.832 42.059 0.076 0.000 1.201 381 L HN 0.766 nan 8.230 nan 0.000 0.445 382 T N -0.772 113.825 114.554 0.071 0.000 2.870 382 T HA 0.645 4.995 4.350 -0.000 0.000 0.277 382 T C 1.110 175.840 174.700 0.050 0.000 1.000 382 T CA -0.176 61.956 62.100 0.054 0.000 0.982 382 T CB 1.662 70.562 68.868 0.052 0.000 1.249 382 T HN 0.361 nan 8.240 nan 0.000 0.589 383 A N 0.818 123.660 122.820 0.038 0.000 1.845 383 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 383 A C 1.987 179.593 177.584 0.036 0.000 1.195 383 A CA 1.903 53.959 52.037 0.031 0.000 0.616 383 A CB -1.335 17.679 19.000 0.023 0.000 0.832 383 A HN 0.932 nan 8.150 nan 0.000 0.443 384 D N -0.084 120.339 120.400 0.038 0.000 2.182 384 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 384 D C 2.175 178.509 176.300 0.057 0.000 0.999 384 D CA 2.076 56.101 54.000 0.041 0.000 0.850 384 D CB -0.895 39.925 40.800 0.034 0.000 0.994 384 D HN 0.172 nan 8.370 nan 0.000 0.450 385 V N 1.455 121.402 119.914 0.055 0.000 2.250 385 V HA -0.330 3.790 4.120 -0.000 0.000 0.253 385 V C 2.702 178.832 176.094 0.059 0.000 1.065 385 V CA 2.003 64.334 62.300 0.051 0.000 1.039 385 V CB -0.573 31.303 31.823 0.088 0.000 0.647 385 V HN 0.243 nan 8.190 nan 0.000 0.446 386 M N -0.309 119.333 119.600 0.071 0.000 2.106 386 M HA -0.217 4.263 4.480 -0.000 0.000 0.259 386 M C 2.181 178.515 176.300 0.058 0.000 1.068 386 M CA 2.444 57.785 55.300 0.069 0.000 1.100 386 M CB -0.782 31.865 32.600 0.077 0.000 1.351 386 M HN 0.464 nan 8.290 nan 0.000 0.404 387 T N -1.146 113.443 114.554 0.059 0.000 2.951 387 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 387 T C 1.411 176.153 174.700 0.069 0.000 1.073 387 T CA 0.962 63.091 62.100 0.048 0.000 1.134 387 T CB -0.342 68.543 68.868 0.029 0.000 0.884 387 T HN 0.427 nan 8.240 nan 0.000 0.479 388 Y N 1.515 121.774 120.300 -0.069 0.000 2.286 388 Y HA 0.148 4.697 4.550 -0.000 0.000 0.293 388 Y C 1.803 177.600 175.900 -0.172 0.000 1.124 388 Y CA 0.572 58.614 58.100 -0.097 0.000 1.178 388 Y CB -0.339 38.032 38.460 -0.148 0.000 1.010 388 Y HN 0.146 nan 8.280 nan 0.000 0.536 389 I N -0.517 119.893 120.570 -0.266 0.000 2.546 389 I HA -0.249 3.921 4.170 -0.000 0.000 0.255 389 I C 2.529 178.398 176.117 -0.413 0.000 1.163 389 I CA 1.050 62.071 61.300 -0.465 0.000 1.457 389 I CB -0.625 37.158 38.000 -0.361 0.000 1.092 389 I HN 0.328 nan 8.210 nan 0.000 0.434 390 H N 1.622 120.516 119.070 -0.293 0.000 2.267 390 H HA -0.162 4.394 4.556 -0.000 0.000 0.297 390 H C 2.325 177.483 175.328 -0.283 0.000 1.080 390 H CA 2.349 58.250 56.048 -0.245 0.000 1.278 390 H CB 0.088 29.764 29.762 -0.143 0.000 1.365 390 H HN 0.252 nan 8.280 nan 0.000 0.489 391 S N 0.904 116.570 115.700 -0.057 0.000 2.382 391 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 391 S C 2.398 176.840 174.600 -0.263 0.000 1.027 391 S CA 1.338 59.495 58.200 -0.072 0.000 0.991 391 S CB -0.346 62.841 63.200 -0.021 0.000 0.823 391 S HN 0.444 nan 8.310 nan 0.000 0.469 392 M N 1.363 120.628 119.600 -0.559 0.000 2.065 392 M HA -0.070 4.410 4.480 -0.000 0.000 0.259 392 M C 0.381 176.234 176.300 -0.746 0.000 1.071 392 M CA 1.592 56.284 55.300 -1.015 0.000 1.109 392 M CB 0.026 31.834 32.600 -1.320 0.000 1.313 392 M HN 0.339 nan 8.290 nan 0.000 0.408 393 N N -1.068 117.240 118.700 -0.655 0.000 2.905 393 N HA 0.144 4.884 4.740 -0.000 0.000 0.255 393 N C -2.538 172.634 175.510 -0.564 0.000 1.199 393 N CA -0.973 51.747 53.050 -0.549 0.000 0.911 393 N CB 1.479 39.624 38.487 -0.570 0.000 1.550 393 N HN -0.051 nan 8.380 nan 0.000 0.599 394 P HA -0.123 nan 4.420 nan 0.000 0.217 394 P C 1.183 178.224 177.300 -0.433 0.000 1.150 394 P CA 1.024 63.760 63.100 -0.606 0.000 0.832 394 P CB 0.370 31.693 31.700 -0.629 0.000 0.787 395 S N 1.189 116.674 115.700 -0.359 0.000 2.414 395 S HA -0.240 4.230 4.470 -0.000 0.000 0.238 395 S C 2.014 176.365 174.600 -0.414 0.000 1.055 395 S CA 2.089 60.104 58.200 -0.308 0.000 1.174 395 S CB -1.514 61.537 63.200 -0.250 0.000 1.087 395 S HN 0.151 nan 8.310 nan 0.000 0.428 396 I N 0.974 121.212 120.570 -0.553 0.000 2.231 396 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 396 I C 2.167 177.644 176.117 -1.066 0.000 1.076 396 I CA 1.506 62.266 61.300 -0.901 0.000 1.347 396 I CB -0.480 36.905 38.000 -1.026 0.000 1.038 396 I HN 0.222 nan 8.210 nan 0.000 0.429 397 L N -0.559 120.325 121.223 -0.565 0.000 2.200 397 L HA -0.053 4.287 4.340 -0.000 0.000 0.200 397 L C 2.549 179.377 176.870 -0.070 0.000 1.072 397 L CA 0.864 55.588 54.840 -0.194 0.000 0.787 397 L CB -0.372 41.632 42.059 -0.091 0.000 0.957 397 L HN 0.132 nan 8.230 nan 0.000 0.459 398 E N 0.389 120.505 120.200 -0.139 0.000 2.033 398 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 398 E C 1.380 177.953 176.600 -0.045 0.000 1.011 398 E CA 1.629 57.984 56.400 -0.075 0.000 0.815 398 E CB -0.320 29.316 29.700 -0.107 0.000 0.755 398 E HN 0.476 nan 8.360 nan 0.000 0.451 399 D N -0.165 120.165 120.400 -0.117 0.000 2.393 399 D HA -0.171 4.469 4.640 -0.000 0.000 0.220 399 D C 0.578 176.924 176.300 0.078 0.000 0.974 399 D CA 0.640 54.600 54.000 -0.067 0.000 0.931 399 D CB -0.184 40.525 40.800 -0.152 0.000 0.889 399 D HN 0.342 nan 8.370 nan 0.000 0.512 400 W N 2.155 123.457 121.300 0.004 0.000 3.213 400 W HA 0.144 4.803 4.660 -0.000 0.000 0.430 400 W C 0.375 176.905 176.519 0.019 0.000 0.975 400 W CA -0.357 57.000 57.345 0.020 0.000 2.015 400 W CB -1.147 28.330 29.460 0.028 0.000 1.047 400 W HN 0.094 nan 8.180 nan 0.000 0.797 441 L N 1.248 122.537 121.223 0.111 0.000 2.965 441 L HA 0.365 4.705 4.340 -0.000 0.000 0.254 441 L C 2.001 178.867 176.870 -0.005 0.000 1.220 441 L CA -0.166 54.784 54.840 0.183 0.000 1.023 441 L CB 0.577 42.862 42.059 0.377 0.000 1.355 441 L HN 0.121 nan 8.230 nan 0.000 0.545 442 K N 0.960 121.321 120.400 -0.065 0.000 2.228 442 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 442 K C 1.184 177.664 176.600 -0.200 0.000 1.045 442 K CA 1.505 57.730 56.287 -0.104 0.000 0.931 442 K CB 0.209 32.658 32.500 -0.085 0.000 0.727 442 K HN 0.436 nan 8.250 nan 0.000 0.458 443 N N -0.489 117.988 118.700 -0.372 0.000 2.353 443 N HA -0.026 4.714 4.740 -0.000 0.000 0.185 443 N C -0.510 174.680 175.510 -0.534 0.000 1.098 443 N CA 0.400 53.165 53.050 -0.475 0.000 0.872 443 N CB 0.309 38.420 38.487 -0.627 0.000 0.970 443 N HN 0.189 nan 8.380 nan 0.000 0.467 444 Y N 1.145 121.305 120.300 -0.234 0.000 2.328 444 Y HA 0.211 4.761 4.550 -0.000 0.000 0.337 444 Y C 0.678 176.192 175.900 -0.644 0.000 1.008 444 Y CA -1.106 56.722 58.100 -0.454 0.000 1.129 444 Y CB 0.950 39.074 38.460 -0.560 0.000 1.185 444 Y HN -0.167 nan 8.280 nan 0.000 0.476 445 T N 1.755 116.100 114.554 -0.350 0.000 2.728 445 T HA 0.588 4.938 4.350 -0.000 0.000 0.296 445 T C -0.699 173.841 174.700 -0.266 0.000 0.940 445 T CA -0.504 61.427 62.100 -0.281 0.000 1.013 445 T CB -0.065 68.736 68.868 -0.112 0.000 0.912 445 T HN 0.412 nan 8.240 nan 0.000 0.484 446 F N 0.756 120.768 119.950 0.103 0.000 2.611 446 F HA 0.485 5.012 4.527 -0.000 0.000 0.324 446 F C -0.081 175.799 175.800 0.134 0.000 1.061 446 F CA -1.761 56.303 58.000 0.106 0.000 0.954 446 F CB 1.588 40.660 39.000 0.121 0.000 1.301 446 F HN 0.547 nan 8.300 nan 0.000 0.482 447 W N 3.992 125.345 121.300 0.089 0.000 2.433 447 W HA 0.208 4.868 4.660 -0.000 0.000 0.331 447 W C -0.426 176.177 176.519 0.140 0.000 1.110 447 W CA -0.681 56.694 57.345 0.050 0.000 1.450 447 W CB 0.153 29.558 29.460 -0.092 0.000 1.348 447 W HN 0.485 nan 8.180 nan 0.000 0.415 448 E N 4.074 124.522 120.200 0.413 0.000 2.493 448 E HA 0.052 4.402 4.350 -0.000 0.000 0.255 448 E C -0.476 176.337 176.600 0.354 0.000 0.999 448 E CA 0.253 56.825 56.400 0.288 0.000 0.934 448 E CB 1.241 31.036 29.700 0.158 0.000 0.940 448 E HN 0.166 nan 8.360 nan 0.000 0.473 449 V N 3.946 124.001 119.914 0.235 0.000 2.409 449 V HA 0.110 4.230 4.120 -0.000 0.000 0.290 449 V C -0.062 176.085 176.094 0.088 0.000 1.017 449 V CA -0.822 61.590 62.300 0.187 0.000 0.841 449 V CB 1.839 33.752 31.823 0.149 0.000 1.003 449 V HN 0.491 nan 8.190 nan 0.000 0.426 450 D N 4.787 125.244 120.400 0.094 0.000 2.412 450 D HA 0.363 5.002 4.640 -0.000 0.000 0.224 450 D C 0.294 176.632 176.300 0.064 0.000 1.093 450 D CA -0.204 53.829 54.000 0.055 0.000 0.850 450 D CB 1.710 42.544 40.800 0.057 0.000 1.046 450 D HN 0.471 nan 8.370 nan 0.000 0.507 451 L N 3.811 125.059 121.223 0.041 0.000 2.791 451 L HA 0.159 4.499 4.340 -0.000 0.000 0.239 451 L C 2.080 179.006 176.870 0.093 0.000 1.203 451 L CA -0.180 54.728 54.840 0.113 0.000 1.002 451 L CB 0.288 42.445 42.059 0.162 0.000 1.295 451 L HN 0.165 nan 8.230 nan 0.000 0.504 452 K N 0.641 121.036 120.400 -0.009 0.000 2.032 452 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 452 K C 1.375 178.000 176.600 0.042 0.000 1.048 452 K CA 1.415 57.652 56.287 -0.083 0.000 0.927 452 K CB 0.177 32.655 32.500 -0.036 0.000 0.712 452 K HN 0.045 nan 8.250 nan 0.000 0.441 453 E N 0.288 120.556 120.200 0.113 0.000 2.444 453 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 453 E C -0.070 176.660 176.600 0.217 0.000 1.041 453 E CA 0.210 56.710 56.400 0.167 0.000 0.883 453 E CB 0.450 30.224 29.700 0.123 0.000 1.024 453 E HN 0.002 nan 8.360 nan 0.000 0.470 454 K N 0.196 120.753 120.400 0.262 0.000 2.498 454 K HA 0.150 4.470 4.320 -0.000 0.000 0.207 454 K C -0.551 176.280 176.600 0.385 0.000 1.033 454 K CA -0.210 56.252 56.287 0.290 0.000 1.138 454 K CB 0.324 32.967 32.500 0.237 0.000 0.860 454 K HN 0.021 nan 8.250 nan 0.000 0.490 455 F N 0.718 120.760 119.950 0.154 0.000 2.385 455 F HA 0.305 4.832 4.527 -0.000 0.000 0.336 455 F C 0.832 176.838 175.800 0.344 0.000 1.100 455 F CA -0.548 57.563 58.000 0.185 0.000 1.116 455 F CB 1.624 40.656 39.000 0.054 0.000 1.166 455 F HN -0.196 nan 8.300 nan 0.000 0.511 456 S N 0.804 116.779 115.700 0.459 0.000 2.618 456 S HA 0.784 5.254 4.470 -0.000 0.000 0.277 456 S C -0.213 174.494 174.600 0.178 0.000 1.138 456 S CA -0.016 58.416 58.200 0.385 0.000 0.844 456 S CB 1.616 65.015 63.200 0.331 0.000 1.127 456 S HN 0.709 nan 8.310 nan 0.000 0.474 457 A N 1.167 123.950 122.820 -0.062 0.000 2.508 457 A HA 0.369 4.689 4.320 -0.000 0.000 0.257 457 A C -0.498 177.028 177.584 -0.097 0.000 1.226 457 A CA -0.212 51.537 52.037 -0.479 0.000 0.947 457 A CB 0.089 18.673 19.000 -0.693 0.000 1.079 457 A HN 0.709 nan 8.150 nan 0.000 0.531 458 D N 1.194 121.650 120.400 0.093 0.000 2.485 458 D HA 0.295 4.935 4.640 -0.000 0.000 0.229 458 D C 1.012 177.449 176.300 0.229 0.000 1.101 458 D CA -0.269 53.805 54.000 0.123 0.000 0.906 458 D CB 1.246 42.107 40.800 0.102 0.000 1.019 458 D HN 0.205 nan 8.370 nan 0.000 0.516 459 L N 0.692 122.017 121.223 0.170 0.000 2.012 459 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 459 L C 2.183 179.224 176.870 0.285 0.000 1.073 459 L CA 1.158 56.136 54.840 0.231 0.000 0.748 459 L CB -0.285 41.884 42.059 0.183 0.000 0.891 459 L HN 0.289 nan 8.230 nan 0.000 0.431 460 D N 0.140 120.637 120.400 0.162 0.000 2.263 460 D HA -0.256 4.384 4.640 -0.000 0.000 0.193 460 D C 1.874 178.194 176.300 0.034 0.000 1.013 460 D CA 1.430 55.485 54.000 0.092 0.000 0.892 460 D CB 0.015 40.841 40.800 0.044 0.000 0.909 460 D HN 0.273 nan 8.370 nan 0.000 0.449 461 Q N -0.893 118.882 119.800 -0.042 0.000 2.431 461 Q HA 0.086 4.426 4.340 -0.000 0.000 0.210 461 Q C -0.442 175.079 176.000 -0.799 0.000 0.958 461 Q CA 0.343 55.856 55.803 -0.482 0.000 0.957 461 Q CB -0.150 28.195 28.738 -0.654 0.000 1.007 461 Q HN 0.346 nan 8.270 nan 0.000 0.511 462 F N -0.410 119.480 119.950 -0.101 0.000 2.601 462 F HA 0.288 4.815 4.527 -0.000 0.000 0.309 462 F C -1.703 174.102 175.800 0.010 0.000 1.089 462 F CA -2.480 55.454 58.000 -0.110 0.000 0.940 462 F CB 1.427 40.240 39.000 -0.311 0.000 1.273 462 F HN -0.278 nan 8.300 nan 0.000 0.450 463 P HA -0.196 nan 4.420 nan 0.000 0.213 463 P C 2.067 179.473 177.300 0.176 0.000 1.170 463 P CA 1.463 64.641 63.100 0.130 0.000 0.902 463 P CB 0.565 32.311 31.700 0.076 0.000 0.789 464 L N -0.602 120.735 121.223 0.189 0.000 2.051 464 L HA -0.184 4.156 4.340 -0.000 0.000 0.214 464 L C 2.472 179.532 176.870 0.316 0.000 1.076 464 L CA 2.416 57.363 54.840 0.180 0.000 0.758 464 L CB -1.263 40.815 42.059 0.032 0.000 0.890 464 L HN 0.082 nan 8.230 nan 0.000 0.433 465 G N -1.295 107.726 108.800 0.368 0.000 2.430 465 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 465 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 465 G C 1.694 176.773 174.900 0.299 0.000 1.146 465 G CA 0.383 45.693 45.100 0.349 0.000 0.793 465 G HN 0.290 nan 8.290 nan 0.000 0.537 466 R N 0.117 120.757 120.500 0.234 0.000 2.092 466 R HA 0.053 4.392 4.340 -0.000 0.000 0.231 466 R C 2.465 178.839 176.300 0.124 0.000 1.119 466 R CA 1.218 57.406 56.100 0.146 0.000 0.970 466 R CB -0.091 30.273 30.300 0.107 0.000 0.864 466 R HN 0.219 nan 8.270 nan 0.000 0.440 467 K N -0.670 119.842 120.400 0.185 0.000 2.155 467 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 467 K C 1.686 178.350 176.600 0.107 0.000 1.052 467 K CA 1.171 57.569 56.287 0.184 0.000 0.948 467 K CB -0.167 32.519 32.500 0.308 0.000 0.728 467 K HN 0.098 nan 8.250 nan 0.000 0.448 468 F N 1.550 121.535 119.950 0.058 0.000 2.102 468 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 468 F C 1.516 177.120 175.800 -0.326 0.000 1.105 468 F CA 1.384 59.219 58.000 -0.274 0.000 1.239 468 F CB -0.246 38.689 39.000 -0.108 0.000 0.991 468 F HN -0.130 nan 8.300 nan 0.000 0.474 469 L N -0.392 120.667 121.223 -0.272 0.000 2.042 469 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 469 L C 2.387 179.025 176.870 -0.387 0.000 1.076 469 L CA 0.892 55.529 54.840 -0.339 0.000 0.749 469 L CB -1.028 40.984 42.059 -0.078 0.000 0.893 469 L HN 0.288 nan 8.230 nan 0.000 0.432 470 L N -0.308 120.760 121.223 -0.259 0.000 1.932 470 L HA -0.265 4.075 4.340 -0.000 0.000 0.217 470 L C 2.673 179.373 176.870 -0.283 0.000 1.077 470 L CA 1.917 56.633 54.840 -0.206 0.000 0.765 470 L CB -1.116 40.878 42.059 -0.109 0.000 0.888 470 L HN 0.339 nan 8.230 nan 0.000 0.433 471 Q N -0.143 119.461 119.800 -0.327 0.000 2.118 471 Q HA -0.273 4.067 4.340 -0.000 0.000 0.211 471 Q C 1.897 177.573 176.000 -0.539 0.000 0.998 471 Q CA 2.649 58.205 55.803 -0.410 0.000 0.872 471 Q CB -0.505 27.923 28.738 -0.517 0.000 0.925 471 Q HN 0.659 nan 8.270 nan 0.000 0.414 472 A N -0.652 121.696 122.820 -0.786 0.000 2.172 472 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 472 A C 1.470 178.771 177.584 -0.473 0.000 1.154 472 A CA 1.800 53.383 52.037 -0.756 0.000 0.701 472 A CB -0.560 17.712 19.000 -1.213 0.000 0.789 472 A HN 0.752 nan 8.150 nan 0.000 0.465 473 G N -0.602 107.961 108.800 -0.395 0.000 2.972 473 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.265 473 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.265 473 G C 0.352 175.113 174.900 -0.232 0.000 1.506 473 G CA 0.055 45.000 45.100 -0.259 0.000 1.016 473 G HN 1.248 nan 8.290 nan 0.000 0.563 474 L N 0.000 121.107 121.223 -0.193 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.756 54.840 -0.141 0.000 0.813 474 L CB 0.000 42.004 42.059 -0.092 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502