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_C 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 0.000 177.630 177.584 0.077 0.000 1.274 20 A CA 0.000 52.069 52.037 0.053 0.000 0.836 20 A CB 0.000 19.029 19.000 0.048 0.000 0.831 21 V N 2.038 121.921 119.914 -0.052 0.000 2.814 21 V HA 0.290 4.409 4.120 -0.002 0.000 0.307 21 V C 0.618 176.627 176.094 -0.141 0.000 1.089 21 V CA 0.501 62.711 62.300 -0.149 0.000 1.212 21 V CB 0.989 32.429 31.823 -0.638 0.000 0.912 21 V HN 0.800 nan 8.190 nan 0.000 0.497 22 V N 2.694 122.625 119.914 0.028 0.000 3.160 22 V HA 0.457 4.575 4.120 -0.002 0.000 0.310 22 V C -0.001 176.248 176.094 0.259 0.000 1.181 22 V CA -0.646 61.706 62.300 0.086 0.000 1.047 22 V CB 2.352 34.163 31.823 -0.021 0.000 1.068 22 V HN 0.890 nan 8.190 nan 0.000 0.441 23 S N 0.582 116.448 115.700 0.276 0.000 2.564 23 S HA 0.105 4.573 4.470 -0.002 0.000 0.278 23 S C 1.489 176.075 174.600 -0.024 0.000 1.333 23 S CA 0.386 58.720 58.200 0.223 0.000 1.048 23 S CB 1.162 64.444 63.200 0.137 0.000 0.900 23 S HN 1.212 nan 8.310 nan 0.000 0.505 24 T N 1.425 115.930 114.554 -0.082 0.000 2.977 24 T HA -0.097 4.252 4.350 -0.002 0.000 0.271 24 T C 0.883 175.328 174.700 -0.426 0.000 1.105 24 T CA 1.354 63.123 62.100 -0.551 0.000 1.116 24 T CB -0.543 68.258 68.868 -0.111 0.000 0.878 24 T HN 0.682 nan 8.240 nan 0.000 0.509 25 D N 1.657 121.959 120.400 -0.164 0.000 2.228 25 D HA -0.093 4.546 4.640 -0.002 0.000 0.203 25 D C 1.947 178.176 176.300 -0.119 0.000 0.988 25 D CA 0.875 54.814 54.000 -0.100 0.000 0.864 25 D CB -0.209 40.575 40.800 -0.028 0.000 0.928 25 D HN 0.511 nan 8.370 nan 0.000 0.469 26 E N -0.307 119.794 120.200 -0.165 0.000 2.502 26 E HA -0.053 4.296 4.350 -0.002 0.000 0.194 26 E C 0.500 177.121 176.600 0.035 0.000 1.062 26 E CA 0.221 56.590 56.400 -0.052 0.000 0.867 26 E CB 0.196 29.900 29.700 0.006 0.000 0.888 26 E HN 0.622 nan 8.360 nan 0.000 0.510 27 Y N -3.544 116.813 120.300 0.095 0.000 2.957 27 Y HA 0.328 4.877 4.550 -0.002 0.000 0.274 27 Y C -0.389 175.611 175.900 0.166 0.000 1.065 27 Y CA -0.685 57.487 58.100 0.121 0.000 1.273 27 Y CB -0.129 38.408 38.460 0.129 0.000 1.358 27 Y HN -0.269 nan 8.280 nan 0.000 0.585 28 V N 1.659 121.599 119.914 0.043 0.000 2.447 28 V HA 0.434 4.552 4.120 -0.002 0.000 0.292 28 V C 0.059 176.169 176.094 0.027 0.000 1.021 28 V CA -0.612 61.747 62.300 0.099 0.000 0.850 28 V CB 1.400 33.246 31.823 0.039 0.000 1.005 28 V HN 0.319 nan 8.190 nan 0.000 0.426 29 T N 5.652 120.229 114.554 0.040 0.000 2.913 29 T HA 0.439 4.788 4.350 -0.002 0.000 0.297 29 T C 0.207 174.894 174.700 -0.022 0.000 1.029 29 T CA -0.392 61.714 62.100 0.009 0.000 1.104 29 T CB 0.632 69.511 68.868 0.018 0.000 0.964 29 T HN 0.479 nan 8.240 nan 0.000 0.532 30 R N 1.313 121.801 120.500 -0.021 0.000 2.828 30 R HA 0.729 5.067 4.340 -0.002 0.000 0.264 30 R C 0.044 176.323 176.300 -0.035 0.000 1.022 30 R CA -0.697 55.381 56.100 -0.037 0.000 1.021 30 R CB 1.687 31.983 30.300 -0.006 0.000 1.163 30 R HN 0.850 nan 8.270 nan 0.000 0.494 31 T N -3.067 111.449 114.554 -0.063 0.000 2.900 31 T HA 0.240 4.589 4.350 -0.002 0.000 0.303 31 T C 0.221 174.895 174.700 -0.043 0.000 1.142 31 T CA -0.841 61.235 62.100 -0.040 0.000 1.007 31 T CB 1.353 70.170 68.868 -0.085 0.000 1.156 31 T HN 0.567 nan 8.240 nan 0.000 0.490 32 N N 0.900 119.632 118.700 0.053 0.000 2.601 32 N HA 0.071 4.809 4.740 -0.002 0.000 0.201 32 N C -0.145 175.448 175.510 0.137 0.000 1.355 32 N CA 0.024 53.165 53.050 0.151 0.000 0.880 32 N CB -0.189 38.398 38.487 0.167 0.000 1.071 32 N HN 0.480 nan 8.380 nan 0.000 0.454 33 I N 1.278 121.786 120.570 -0.103 0.000 2.355 33 I HA 0.237 4.405 4.170 -0.002 0.000 0.288 33 I C -0.674 175.339 176.117 -0.172 0.000 0.999 33 I CA -0.499 60.787 61.300 -0.024 0.000 1.163 33 I CB 0.167 38.156 38.000 -0.018 0.000 1.316 33 I HN -0.092 nan 8.210 nan 0.000 0.454 34 Y N 5.580 125.938 120.300 0.096 0.000 2.485 34 Y HA 0.610 5.159 4.550 -0.002 0.000 0.345 34 Y C -0.744 175.162 175.900 0.010 0.000 0.998 34 Y CA -0.817 57.299 58.100 0.027 0.000 1.059 34 Y CB 2.043 40.294 38.460 -0.347 0.000 1.234 34 Y HN 0.324 nan 8.280 nan 0.000 0.461 35 Y N 0.887 121.172 120.300 -0.026 0.000 2.457 35 Y HA 0.258 4.807 4.550 -0.002 0.000 0.343 35 Y C -0.045 175.654 175.900 -0.335 0.000 0.994 35 Y CA -1.246 56.791 58.100 -0.105 0.000 1.031 35 Y CB 1.347 39.763 38.460 -0.074 0.000 1.246 35 Y HN 0.615 nan 8.280 nan 0.000 0.449 36 H N 2.199 121.081 119.070 -0.313 0.000 2.607 36 H HA 0.791 5.345 4.556 -0.002 0.000 0.367 36 H C -1.233 173.776 175.328 -0.532 0.000 1.181 36 H CA 0.146 55.902 56.048 -0.486 0.000 1.402 36 H CB 1.341 30.630 29.762 -0.789 0.000 1.474 36 H HN 0.823 nan 8.280 nan 0.000 0.596 37 A N 2.336 124.519 122.820 -1.062 0.000 2.491 37 A HA 0.555 4.873 4.320 -0.002 0.000 0.293 37 A C -0.866 176.499 177.584 -0.364 0.000 1.047 37 A CA 0.024 51.762 52.037 -0.498 0.000 0.735 37 A CB 1.401 20.109 19.000 -0.487 0.000 1.281 37 A HN 0.857 nan 8.150 nan 0.000 0.398 38 G N 0.976 109.770 108.800 -0.011 0.000 2.740 38 G HA2 0.624 4.583 3.960 -0.002 0.000 0.296 38 G HA3 0.624 4.583 3.960 -0.002 0.000 0.296 38 G C -0.206 174.770 174.900 0.128 0.000 1.439 38 G CA 0.209 45.370 45.100 0.101 0.000 1.066 38 G HN 1.644 nan 8.290 nan 0.000 0.527 39 S N 1.364 117.121 115.700 0.096 0.000 2.562 39 S HA 0.507 4.976 4.470 -0.002 0.000 0.281 39 S C 1.200 175.843 174.600 0.072 0.000 1.333 39 S CA 0.219 58.455 58.200 0.060 0.000 1.052 39 S CB 1.018 64.212 63.200 -0.009 0.000 0.884 39 S HN 1.501 nan 8.310 nan 0.000 0.506 40 S N 2.629 118.381 115.700 0.087 0.000 2.618 40 S HA 0.167 4.636 4.470 -0.002 0.000 0.254 40 S C 0.405 175.052 174.600 0.079 0.000 1.284 40 S CA -0.833 57.421 58.200 0.091 0.000 0.975 40 S CB -0.063 63.194 63.200 0.096 0.000 1.022 40 S HN 0.999 nan 8.310 nan 0.000 0.571 41 R N -0.097 120.455 120.500 0.087 0.000 2.442 41 R HA 0.327 4.665 4.340 -0.002 0.000 0.291 41 R C -1.184 175.205 176.300 0.148 0.000 1.069 41 R CA -0.195 55.961 56.100 0.093 0.000 1.022 41 R CB -0.265 30.087 30.300 0.086 0.000 0.976 41 R HN 0.628 nan 8.270 nan 0.000 0.443 42 L N 6.440 127.770 121.223 0.178 0.000 2.298 42 L HA 0.417 4.755 4.340 -0.002 0.000 0.284 42 L C -0.482 176.644 176.870 0.427 0.000 1.013 42 L CA -0.564 54.488 54.840 0.352 0.000 0.824 42 L CB 1.383 43.559 42.059 0.195 0.000 1.221 42 L HN 0.577 nan 8.230 nan 0.000 0.418 43 L N 2.810 124.300 121.223 0.445 0.000 2.298 43 L HA 0.990 5.328 4.340 -0.002 0.000 0.268 43 L C -0.202 176.916 176.870 0.414 0.000 1.010 43 L CA -0.668 54.388 54.840 0.359 0.000 0.812 43 L CB 2.075 44.256 42.059 0.204 0.000 1.331 43 L HN 0.692 nan 8.230 nan 0.000 0.450 44 A N 0.690 123.674 122.820 0.273 0.000 2.512 44 A HA 0.714 5.032 4.320 -0.002 0.000 0.294 44 A C -1.710 175.922 177.584 0.080 0.000 1.054 44 A CA -0.402 51.731 52.037 0.160 0.000 0.756 44 A CB 1.355 20.538 19.000 0.304 0.000 1.293 44 A HN 0.293 nan 8.150 nan 0.000 0.395 45 V N 0.894 120.822 119.914 0.023 0.000 2.925 45 V HA 0.993 5.111 4.120 -0.002 0.000 0.311 45 V C 0.546 176.640 176.094 0.000 0.000 1.104 45 V CA 0.222 62.530 62.300 0.014 0.000 0.954 45 V CB 2.001 33.838 31.823 0.024 0.000 1.022 45 V HN 1.993 nan 8.190 nan 0.000 0.427 46 G N 0.539 109.338 108.800 -0.002 0.000 2.489 46 G HA2 0.378 4.336 3.960 -0.002 0.000 0.305 46 G HA3 0.378 4.336 3.960 -0.002 0.000 0.305 46 G C -1.832 173.076 174.900 0.012 0.000 1.311 46 G CA -0.654 44.455 45.100 0.015 0.000 0.813 46 G HN 0.736 nan 8.290 nan 0.000 0.480 47 H N 1.462 120.501 119.070 -0.052 0.000 2.548 47 H HA 0.358 4.913 4.556 -0.002 0.000 0.331 47 H C -1.422 173.808 175.328 -0.163 0.000 1.093 47 H CA -1.373 54.592 56.048 -0.138 0.000 1.367 47 H CB 2.624 32.282 29.762 -0.173 0.000 1.455 47 H HN 0.196 nan 8.280 nan 0.000 0.519 48 P HA -0.082 nan 4.420 nan 0.000 0.224 48 P C 0.676 177.982 177.300 0.010 0.000 1.157 48 P CA 1.091 64.032 63.100 -0.265 0.000 0.799 48 P CB 0.322 31.697 31.700 -0.543 0.000 0.809 49 Y N -0.199 120.176 120.300 0.126 0.000 2.230 49 Y HA 0.046 4.594 4.550 -0.003 0.000 0.294 49 Y C 1.305 177.287 175.900 0.136 0.000 1.120 49 Y CA -0.229 57.923 58.100 0.086 0.000 1.129 49 Y CB -0.140 38.306 38.460 -0.023 0.000 1.040 49 Y HN -0.059 nan 8.280 nan 0.000 0.519 50 Y N -1.968 118.534 120.300 0.337 0.000 2.655 50 Y HA 0.803 5.351 4.550 -0.002 0.000 0.336 50 Y C -0.883 175.029 175.900 0.021 0.000 1.154 50 Y CA -2.873 55.285 58.100 0.097 0.000 1.055 50 Y CB 0.506 38.972 38.460 0.010 0.000 1.295 50 Y HN -0.132 nan 8.280 nan 0.000 0.465 51 A N 1.657 124.654 122.820 0.296 0.000 2.363 51 A HA 0.628 4.946 4.320 -0.002 0.000 0.270 51 A C -0.621 177.070 177.584 0.179 0.000 1.121 51 A CA -0.584 51.559 52.037 0.176 0.000 0.800 51 A CB -0.382 18.685 19.000 0.111 0.000 1.052 51 A HN 0.675 nan 8.150 nan 0.000 0.493 52 I N 3.492 124.138 120.570 0.127 0.000 2.316 52 I HA 0.156 4.324 4.170 -0.002 0.000 0.286 52 I C 0.510 176.664 176.117 0.061 0.000 1.107 52 I CA -0.280 61.081 61.300 0.102 0.000 1.219 52 I CB 0.177 38.243 38.000 0.110 0.000 1.455 52 I HN 0.713 nan 8.210 nan 0.000 0.498 53 K N 4.117 124.539 120.400 0.038 0.000 2.090 53 K HA 0.444 4.763 4.320 -0.002 0.000 0.250 53 K C -0.002 176.609 176.600 0.017 0.000 1.004 53 K CA -1.120 55.179 56.287 0.021 0.000 0.919 53 K CB 0.984 33.488 32.500 0.007 0.000 1.045 53 K HN 0.028 nan 8.250 nan 0.000 0.471 54 K N 1.043 121.449 120.400 0.011 0.000 2.611 54 K HA -0.189 4.130 4.320 -0.002 0.000 0.280 54 K C 0.886 177.489 176.600 0.005 0.000 0.964 54 K CA 0.724 57.016 56.287 0.009 0.000 1.029 54 K CB 0.523 33.025 32.500 0.003 0.000 0.862 54 K HN 0.739 nan 8.250 nan 0.000 0.501 55 Q N 1.815 121.619 119.800 0.007 0.000 2.226 55 Q HA -0.139 4.199 4.340 -0.002 0.000 0.204 55 Q C 0.371 176.368 176.000 -0.005 0.000 0.975 55 Q CA 2.102 57.907 55.803 0.003 0.000 0.866 55 Q CB 0.220 28.962 28.738 0.007 0.000 0.915 55 Q HN 0.753 nan 8.270 nan 0.000 0.440 56 D N -1.618 118.780 120.400 -0.004 0.000 2.856 56 D HA 0.068 4.706 4.640 -0.002 0.000 0.283 56 D C 0.313 176.608 176.300 -0.008 0.000 1.051 56 D CA 0.314 54.310 54.000 -0.007 0.000 0.965 56 D CB -0.256 40.541 40.800 -0.005 0.000 1.201 56 D HN 0.102 nan 8.370 nan 0.000 0.474 57 S N 1.095 116.791 115.700 -0.006 0.000 2.596 57 S HA 0.041 4.510 4.470 -0.002 0.000 0.260 57 S C 0.755 175.350 174.600 -0.008 0.000 1.336 57 S CA -0.357 57.839 58.200 -0.007 0.000 0.993 57 S CB 0.366 63.563 63.200 -0.005 0.000 0.923 57 S HN 0.258 nan 8.310 nan 0.000 0.567 58 N N 1.589 120.284 118.700 -0.009 0.000 2.338 58 N HA 0.104 4.842 4.740 -0.002 0.000 0.251 58 N C -0.440 175.065 175.510 -0.007 0.000 1.199 58 N CA -0.409 52.635 53.050 -0.009 0.000 0.879 58 N CB 0.156 38.636 38.487 -0.011 0.000 1.159 58 N HN 0.442 nan 8.380 nan 0.000 0.514 59 K N 1.299 121.695 120.400 -0.006 0.000 2.174 59 K HA 0.216 4.535 4.320 -0.002 0.000 0.275 59 K C -0.086 176.512 176.600 -0.002 0.000 1.015 59 K CA -0.591 55.693 56.287 -0.006 0.000 0.933 59 K CB 0.922 33.417 32.500 -0.008 0.000 1.025 59 K HN -0.065 nan 8.250 nan 0.000 0.463 60 I N 3.972 124.540 120.570 -0.003 0.000 2.533 60 I HA -0.013 4.155 4.170 -0.002 0.000 0.284 60 I C 1.123 177.243 176.117 0.004 0.000 1.109 60 I CA 0.353 61.655 61.300 0.004 0.000 1.412 60 I CB 0.310 38.312 38.000 0.003 0.000 1.396 60 I HN 0.815 nan 8.210 nan 0.000 0.543 61 A N 6.991 129.819 122.820 0.013 0.000 1.901 61 A HA 0.228 4.546 4.320 -0.002 0.000 0.210 61 A C 0.688 178.279 177.584 0.012 0.000 1.208 61 A CA 0.538 52.581 52.037 0.011 0.000 0.644 61 A CB 0.200 19.210 19.000 0.018 0.000 0.863 61 A HN 0.469 nan 8.150 nan 0.000 0.454 62 V N 1.622 121.554 119.914 0.029 0.000 2.409 62 V HA 0.363 4.482 4.120 -0.002 0.000 0.290 62 V C -2.606 173.516 176.094 0.047 0.000 1.017 62 V CA -1.859 60.464 62.300 0.037 0.000 0.841 62 V CB 1.384 33.245 31.823 0.064 0.000 1.003 62 V HN 0.291 nan 8.190 nan 0.000 0.426 63 P HA 0.242 nan 4.420 nan 0.000 0.297 63 P C -0.819 176.518 177.300 0.061 0.000 1.303 63 P CA -0.599 62.520 63.100 0.031 0.000 0.753 63 P CB 1.177 32.872 31.700 -0.008 0.000 1.281 64 K N 0.342 120.780 120.400 0.064 0.000 2.347 64 K HA 0.390 4.709 4.320 -0.002 0.000 0.262 64 K C -1.507 175.127 176.600 0.057 0.000 1.052 64 K CA -0.533 55.806 56.287 0.087 0.000 0.946 64 K CB 0.205 32.775 32.500 0.117 0.000 1.220 64 K HN 0.111 nan 8.250 nan 0.000 0.450 65 V N 3.395 123.324 119.914 0.026 0.000 2.284 65 V HA 0.165 4.284 4.120 -0.002 0.000 0.274 65 V C -0.066 175.996 176.094 -0.053 0.000 1.023 65 V CA -0.637 61.652 62.300 -0.018 0.000 0.808 65 V CB 1.024 32.810 31.823 -0.062 0.000 1.035 65 V HN 0.748 nan 8.190 nan 0.000 0.445 66 S N 3.534 119.258 115.700 0.039 0.000 2.651 66 S HA 0.592 5.060 4.470 -0.002 0.000 0.291 66 S C 1.411 176.119 174.600 0.179 0.000 1.141 66 S CA 0.224 58.517 58.200 0.154 0.000 1.027 66 S CB 1.793 65.116 63.200 0.204 0.000 1.043 66 S HN 0.835 nan 8.310 nan 0.000 0.530 67 G N 1.649 110.679 108.800 0.382 0.000 2.534 67 G HA2 0.052 4.011 3.960 -0.002 0.000 0.217 67 G HA3 0.052 4.011 3.960 -0.002 0.000 0.217 67 G C 0.670 175.709 174.900 0.232 0.000 1.128 67 G CA 0.278 45.597 45.100 0.366 0.000 0.784 67 G HN 0.624 nan 8.290 nan 0.000 0.542 68 L N 0.486 121.846 121.223 0.228 0.000 2.737 68 L HA 0.312 4.650 4.340 -0.002 0.000 0.236 68 L C 0.700 177.652 176.870 0.137 0.000 1.219 68 L CA 0.125 55.078 54.840 0.188 0.000 1.021 68 L CB 0.130 42.344 42.059 0.258 0.000 1.291 68 L HN 0.140 nan 8.230 nan 0.000 0.470 69 Q N -1.241 118.632 119.800 0.122 0.000 2.345 69 Q HA 0.400 4.739 4.340 -0.002 0.000 0.268 69 Q C -1.127 174.918 176.000 0.074 0.000 1.054 69 Q CA -0.935 54.948 55.803 0.133 0.000 0.835 69 Q CB 2.099 30.918 28.738 0.136 0.000 1.339 69 Q HN 0.019 nan 8.270 nan 0.000 0.447 70 Y N 0.667 120.987 120.300 0.034 0.000 2.357 70 Y HA 0.146 4.695 4.550 -0.002 0.000 0.340 70 Y C 0.488 176.324 175.900 -0.107 0.000 1.260 70 Y CA 0.127 58.221 58.100 -0.010 0.000 1.425 70 Y CB 0.687 39.140 38.460 -0.011 0.000 1.326 70 Y HN 0.218 nan 8.280 nan 0.000 0.580 71 R N 1.941 122.390 120.500 -0.086 0.000 2.402 71 R HA 0.314 4.653 4.340 -0.002 0.000 0.290 71 R C -1.712 174.297 176.300 -0.484 0.000 1.321 71 R CA -0.607 55.199 56.100 -0.489 0.000 1.283 71 R CB 0.462 30.242 30.300 -0.867 0.000 1.111 71 R HN 0.383 nan 8.270 nan 0.000 0.578 72 V N 4.697 124.476 119.914 -0.224 0.000 2.389 72 V HA 0.351 4.469 4.120 -0.002 0.000 0.264 72 V C 0.172 176.153 176.094 -0.190 0.000 1.049 72 V CA -0.275 61.959 62.300 -0.110 0.000 0.932 72 V CB 0.016 31.894 31.823 0.092 0.000 1.011 72 V HN 0.335 nan 8.190 nan 0.000 0.475 73 F N 3.814 123.703 119.950 -0.101 0.000 2.420 73 F HA 0.570 5.095 4.527 -0.003 0.000 0.342 73 F C 0.676 176.237 175.800 -0.397 0.000 1.113 73 F CA -0.644 57.250 58.000 -0.177 0.000 1.059 73 F CB 1.440 40.299 39.000 -0.234 0.000 1.128 73 F HN 0.312 nan 8.300 nan 0.000 0.475 74 R N 3.316 123.682 120.500 -0.222 0.000 2.239 74 R HA 0.526 4.865 4.340 -0.002 0.000 0.332 74 R C -1.586 174.514 176.300 -0.334 0.000 0.988 74 R CA -0.419 55.296 56.100 -0.640 0.000 0.859 74 R CB 0.821 30.871 30.300 -0.417 0.000 1.148 74 R HN 0.550 nan 8.270 nan 0.000 0.482 75 V N 5.238 124.923 119.914 -0.381 0.000 2.432 75 V HA 0.262 4.381 4.120 -0.002 0.000 0.275 75 V C 0.257 176.197 176.094 -0.256 0.000 1.043 75 V CA -0.425 61.702 62.300 -0.288 0.000 0.925 75 V CB 1.374 32.960 31.823 -0.395 0.000 0.985 75 V HN 0.571 nan 8.190 nan 0.000 0.466 76 K N 4.959 125.245 120.400 -0.190 0.000 2.206 76 K HA 0.636 4.954 4.320 -0.002 0.000 0.264 76 K C -1.012 175.459 176.600 -0.214 0.000 0.967 76 K CA -0.469 55.723 56.287 -0.158 0.000 0.844 76 K CB 1.968 34.410 32.500 -0.096 0.000 1.099 76 K HN 0.513 nan 8.250 nan 0.000 0.441 77 L N 4.758 125.840 121.223 -0.235 0.000 2.334 77 L HA 0.441 4.779 4.340 -0.002 0.000 0.276 77 L C -1.963 174.662 176.870 -0.407 0.000 1.014 77 L CA -2.256 52.349 54.840 -0.392 0.000 0.815 77 L CB 1.744 43.542 42.059 -0.435 0.000 1.268 77 L HN 0.408 nan 8.230 nan 0.000 0.428 78 P HA -0.112 nan 4.420 nan 0.000 0.266 78 P C -1.024 176.084 177.300 -0.321 0.000 1.193 78 P CA -0.017 62.724 63.100 -0.599 0.000 0.770 78 P CB 0.794 31.803 31.700 -1.151 0.000 0.836 79 D N 4.230 124.513 120.400 -0.195 0.000 2.352 79 D HA 0.059 4.697 4.640 -0.002 0.000 0.245 79 D C -1.062 175.166 176.300 -0.120 0.000 1.224 79 D CA -1.998 51.952 54.000 -0.084 0.000 0.879 79 D CB 0.779 41.573 40.800 -0.011 0.000 1.057 79 D HN 0.215 nan 8.370 nan 0.000 0.491 80 P HA -0.141 nan 4.420 nan 0.000 0.224 80 P C 0.653 177.977 177.300 0.040 0.000 1.142 80 P CA 0.689 63.695 63.100 -0.157 0.000 0.778 80 P CB 0.524 31.792 31.700 -0.719 0.000 0.764 81 N N 0.101 118.788 118.700 -0.021 0.000 2.395 81 N HA -0.002 4.737 4.740 -0.002 0.000 0.175 81 N C 1.618 177.147 175.510 0.032 0.000 1.029 81 N CA 0.691 53.747 53.050 0.011 0.000 0.897 81 N CB -0.005 38.471 38.487 -0.018 0.000 0.991 81 N HN 0.316 nan 8.380 nan 0.000 0.441 82 K N -0.027 120.394 120.400 0.035 0.000 2.062 82 K HA 0.007 4.326 4.320 -0.002 0.000 0.205 82 K C 0.563 177.195 176.600 0.053 0.000 1.051 82 K CA 0.326 56.637 56.287 0.040 0.000 0.941 82 K CB -0.089 32.439 32.500 0.047 0.000 0.719 82 K HN -0.053 nan 8.250 nan 0.000 0.440 83 F N 1.182 121.009 119.950 -0.205 0.000 2.586 83 F HA 0.119 4.644 4.527 -0.003 0.000 0.344 83 F C 1.136 176.573 175.800 -0.604 0.000 1.188 83 F CA 0.036 57.785 58.000 -0.417 0.000 1.359 83 F CB 0.374 39.076 39.000 -0.497 0.000 1.129 83 F HN -0.021 nan 8.300 nan 0.000 0.609 84 G N 2.169 110.518 108.800 -0.752 0.000 2.542 84 G HA2 0.607 4.565 3.960 -0.002 0.000 0.311 84 G HA3 0.607 4.565 3.960 -0.002 0.000 0.311 84 G C -1.933 172.484 174.900 -0.805 0.000 1.298 84 G CA -0.480 44.313 45.100 -0.511 0.000 0.973 84 G HN 0.367 nan 8.290 nan 0.000 0.487 85 F N 1.180 121.129 119.950 -0.002 0.000 2.593 85 F HA 0.525 5.051 4.527 -0.002 0.000 0.320 85 F C -1.247 174.546 175.800 -0.011 0.000 1.060 85 F CA -1.869 56.136 58.000 0.009 0.000 0.940 85 F CB 2.923 41.927 39.000 0.008 0.000 1.268 85 F HN 0.326 nan 8.300 nan 0.000 0.475 86 P HA -0.022 nan 4.420 nan 0.000 0.220 86 P C 0.563 177.876 177.300 0.022 0.000 1.154 86 P CA 1.084 64.239 63.100 0.091 0.000 0.837 86 P CB 0.331 32.089 31.700 0.096 0.000 0.815 87 D N 0.288 120.714 120.400 0.042 0.000 2.340 87 D HA -0.037 4.601 4.640 -0.002 0.000 0.220 87 D C 0.303 176.425 176.300 -0.297 0.000 1.039 87 D CA 0.389 54.352 54.000 -0.062 0.000 0.866 87 D CB -0.494 40.350 40.800 0.074 0.000 0.913 87 D HN 0.053 nan 8.370 nan 0.000 0.523 88 T N -1.651 112.811 114.554 -0.154 0.000 4.058 88 T HA 0.219 4.568 4.350 -0.002 0.000 0.252 88 T C 1.117 175.729 174.700 -0.147 0.000 1.264 88 T CA -0.000 62.015 62.100 -0.140 0.000 1.094 88 T CB 0.164 69.079 68.868 0.079 0.000 1.316 88 T HN -0.009 nan 8.240 nan 0.000 0.872 89 S N 1.148 116.553 115.700 -0.492 0.000 2.510 89 S HA 0.142 4.611 4.470 -0.002 0.000 0.230 89 S C 0.930 175.382 174.600 -0.248 0.000 1.066 89 S CA -0.513 57.486 58.200 -0.336 0.000 0.941 89 S CB -0.637 62.402 63.200 -0.268 0.000 0.829 89 S HN 0.637 nan 8.310 nan 0.000 0.530 90 F N 1.729 121.742 119.950 0.104 0.000 2.913 90 F HA 0.622 5.147 4.527 -0.002 0.000 0.293 90 F C -0.141 175.751 175.800 0.153 0.000 1.223 90 F CA -2.000 56.056 58.000 0.093 0.000 1.393 90 F CB -1.126 37.914 39.000 0.067 0.000 1.102 90 F HN 0.220 nan 8.300 nan 0.000 0.524 91 Y N 1.278 121.595 120.300 0.028 0.000 2.462 91 Y HA 0.578 5.127 4.550 -0.002 0.000 0.346 91 Y C -1.669 174.228 175.900 -0.004 0.000 0.976 91 Y CA -2.399 55.717 58.100 0.026 0.000 1.044 91 Y CB 1.657 40.099 38.460 -0.031 0.000 1.230 91 Y HN 0.152 nan 8.280 nan 0.000 0.455 92 D N 7.944 128.033 120.400 -0.518 0.000 2.462 92 D HA 0.373 5.011 4.640 -0.002 0.000 0.245 92 D C -2.230 173.552 176.300 -0.863 0.000 1.122 92 D CA -2.643 51.025 54.000 -0.553 0.000 0.864 92 D CB 2.202 42.879 40.800 -0.206 0.000 1.098 92 D HN 0.371 nan 8.370 nan 0.000 0.541 93 P HA -0.128 nan 4.420 nan 0.000 0.222 93 P C 1.113 178.250 177.300 -0.272 0.000 1.147 93 P CA 0.668 63.402 63.100 -0.611 0.000 0.790 93 P CB 0.327 31.781 31.700 -0.410 0.000 0.780 94 A N 1.222 123.904 122.820 -0.230 0.000 1.877 94 A HA -0.153 4.165 4.320 -0.002 0.000 0.216 94 A C 2.325 179.860 177.584 -0.082 0.000 1.186 94 A CA 2.650 54.612 52.037 -0.124 0.000 0.620 94 A CB -1.195 17.745 19.000 -0.101 0.000 0.822 94 A HN 0.431 nan 8.150 nan 0.000 0.443 95 S N -1.825 113.823 115.700 -0.086 0.000 2.524 95 S HA 0.229 4.697 4.470 -0.002 0.000 0.222 95 S C 0.681 175.276 174.600 -0.008 0.000 1.040 95 S CA -0.398 57.785 58.200 -0.028 0.000 0.915 95 S CB 0.015 63.208 63.200 -0.012 0.000 0.831 95 S HN 0.614 nan 8.310 nan 0.000 0.492 96 Q N 0.736 120.521 119.800 -0.024 0.000 2.205 96 Q HA 0.652 4.990 4.340 -0.002 0.000 0.249 96 Q C -0.489 175.540 176.000 0.050 0.000 0.948 96 Q CA -0.845 55.011 55.803 0.088 0.000 0.895 96 Q CB 1.012 29.950 28.738 0.334 0.000 1.249 96 Q HN 0.049 nan 8.270 nan 0.000 0.458 97 R N 0.386 120.816 120.500 -0.118 0.000 2.922 97 R HA 0.620 4.959 4.340 -0.002 0.000 0.256 97 R C -1.171 174.904 176.300 -0.374 0.000 1.138 97 R CA -0.879 54.975 56.100 -0.410 0.000 0.995 97 R CB 0.959 30.500 30.300 -1.265 0.000 1.226 97 R HN 0.565 nan 8.270 nan 0.000 0.481 98 L N 1.010 121.973 121.223 -0.434 0.000 2.341 98 L HA 0.643 4.981 4.340 -0.002 0.000 0.278 98 L C -0.377 176.349 176.870 -0.239 0.000 1.005 98 L CA -1.125 53.486 54.840 -0.382 0.000 0.818 98 L CB 2.003 43.797 42.059 -0.443 0.000 1.259 98 L HN 0.135 nan 8.230 nan 0.000 0.418 99 V N -0.138 119.649 119.914 -0.211 0.000 2.919 99 V HA 0.429 4.548 4.120 -0.002 0.000 0.316 99 V C -1.043 174.903 176.094 -0.246 0.000 1.077 99 V CA -0.789 61.437 62.300 -0.122 0.000 0.977 99 V CB 2.092 33.851 31.823 -0.107 0.000 1.039 99 V HN 0.650 nan 8.190 nan 0.000 0.441 100 W N 1.341 122.585 121.300 -0.092 0.000 2.349 100 W HA 0.720 5.379 4.660 -0.003 0.000 0.309 100 W C 0.114 176.634 176.519 0.002 0.000 1.083 100 W CA -0.425 56.877 57.345 -0.072 0.000 1.224 100 W CB 1.641 30.996 29.460 -0.175 0.000 1.256 100 W HN 0.744 nan 8.180 nan 0.000 0.461 101 A N 3.366 126.389 122.820 0.340 0.000 2.305 101 A HA 0.530 4.848 4.320 -0.002 0.000 0.322 101 A C -0.769 176.978 177.584 0.271 0.000 1.187 101 A CA -0.556 51.580 52.037 0.164 0.000 0.825 101 A CB 0.752 19.773 19.000 0.036 0.000 1.164 101 A HN 0.740 nan 8.150 nan 0.000 0.498 102 C N 1.855 121.236 119.300 0.135 0.000 2.527 102 C HA 0.577 5.036 4.460 -0.002 0.000 0.396 102 C C 1.486 176.430 174.990 -0.076 0.000 1.289 102 C CA 0.511 59.505 59.018 -0.040 0.000 2.047 102 C CB -0.032 27.666 27.740 -0.070 0.000 2.568 102 C HN 0.927 nan 8.230 nan 0.000 0.573 103 T N 2.645 117.138 114.554 -0.102 0.000 3.058 103 T HA 0.353 4.702 4.350 -0.002 0.000 0.247 103 T C 0.468 175.296 174.700 0.213 0.000 0.987 103 T CA 0.656 62.821 62.100 0.108 0.000 1.062 103 T CB 0.420 69.428 68.868 0.234 0.000 1.048 103 T HN 0.908 nan 8.240 nan 0.000 0.468 104 G N 0.854 109.671 108.800 0.029 0.000 2.753 104 G HA2 0.568 4.526 3.960 -0.002 0.000 0.295 104 G HA3 0.568 4.526 3.960 -0.002 0.000 0.295 104 G C -1.721 172.898 174.900 -0.468 0.000 1.437 104 G CA -0.279 44.736 45.100 -0.142 0.000 1.094 104 G HN 0.162 nan 8.290 nan 0.000 0.540 105 V N 1.681 121.258 119.914 -0.562 0.000 2.581 105 V HA 0.703 4.822 4.120 -0.002 0.000 0.303 105 V C -0.557 175.045 176.094 -0.820 0.000 1.041 105 V CA -0.782 61.095 62.300 -0.705 0.000 0.907 105 V CB 1.947 33.544 31.823 -0.377 0.000 0.994 105 V HN 0.719 nan 8.190 nan 0.000 0.442 106 E N 2.734 122.409 120.200 -0.876 0.000 2.260 106 E HA 0.431 4.779 4.350 -0.002 0.000 0.266 106 E C -1.816 174.425 176.600 -0.599 0.000 0.887 106 E CA -0.382 55.559 56.400 -0.766 0.000 0.777 106 E CB 2.254 31.596 29.700 -0.596 0.000 1.205 106 E HN 0.395 nan 8.360 nan 0.000 0.414 107 V N 3.868 123.499 119.914 -0.472 0.000 2.239 107 V HA 0.353 4.472 4.120 -0.002 0.000 0.267 107 V C 0.744 176.702 176.094 -0.227 0.000 1.056 107 V CA -0.571 61.556 62.300 -0.289 0.000 0.830 107 V CB 1.054 32.776 31.823 -0.168 0.000 1.090 107 V HN 0.662 nan 8.190 nan 0.000 0.459 108 G N 4.793 113.463 108.800 -0.216 0.000 2.380 108 G HA2 0.408 4.366 3.960 -0.002 0.000 0.242 108 G HA3 0.408 4.366 3.960 -0.002 0.000 0.242 108 G C -0.055 174.721 174.900 -0.207 0.000 1.298 108 G CA -0.256 44.746 45.100 -0.162 0.000 0.878 108 G HN 0.470 nan 8.290 nan 0.000 0.542 109 R N 0.612 120.999 120.500 -0.187 0.000 2.888 109 R HA 0.790 5.129 4.340 -0.002 0.000 0.266 109 R C 0.155 176.362 176.300 -0.155 0.000 1.020 109 R CA -0.445 55.476 56.100 -0.297 0.000 0.963 109 R CB 1.896 32.018 30.300 -0.296 0.000 1.197 109 R HN 0.744 nan 8.270 nan 0.000 0.481 110 G N -0.457 108.258 108.800 -0.141 0.000 2.827 110 G HA2 0.498 4.456 3.960 -0.002 0.000 0.296 110 G HA3 0.498 4.456 3.960 -0.002 0.000 0.296 110 G C -1.523 173.356 174.900 -0.036 0.000 1.362 110 G CA -0.441 44.626 45.100 -0.056 0.000 0.809 110 G HN 0.310 nan 8.290 nan 0.000 0.522 111 Q N -1.018 118.781 119.800 -0.002 0.000 3.234 111 Q HA -0.107 4.232 4.340 -0.002 0.000 0.026 111 Q C -2.653 173.356 176.000 0.015 0.000 1.709 111 Q CA 0.289 56.103 55.803 0.019 0.000 0.241 111 Q CB -1.331 27.435 28.738 0.046 0.000 0.585 111 Q HN 0.654 nan 8.270 nan 0.000 0.322 112 P HA 0.247 nan 4.420 nan 0.000 0.275 112 P C 0.053 177.363 177.300 0.017 0.000 1.228 112 P CA -0.487 62.620 63.100 0.013 0.000 0.786 112 P CB 0.590 32.296 31.700 0.009 0.000 0.927 113 L N 1.691 122.924 121.223 0.017 0.000 2.461 113 L HA 0.496 4.835 4.340 -0.002 0.000 0.272 113 L C 1.247 178.124 176.870 0.013 0.000 1.197 113 L CA 1.649 56.503 54.840 0.023 0.000 0.836 113 L CB 0.012 42.085 42.059 0.022 0.000 1.105 113 L HN 0.803 nan 8.230 nan 0.000 0.477 114 G N 1.391 110.198 108.800 0.011 0.000 2.340 114 G HA2 0.525 4.483 3.960 -0.002 0.000 0.299 114 G HA3 0.525 4.483 3.960 -0.002 0.000 0.299 114 G C -1.771 173.123 174.900 -0.009 0.000 1.291 114 G CA 0.013 45.109 45.100 -0.007 0.000 0.841 114 G HN 0.838 nan 8.290 nan 0.000 0.500 115 V N -2.297 117.600 119.914 -0.028 0.000 3.049 115 V HA 1.025 5.144 4.120 -0.002 0.000 0.309 115 V C 0.325 176.391 176.094 -0.047 0.000 1.148 115 V CA 0.258 62.549 62.300 -0.014 0.000 0.990 115 V CB 1.513 33.342 31.823 0.009 0.000 1.039 115 V HN 1.966 nan 8.190 nan 0.000 0.430 116 G N 1.316 110.095 108.800 -0.034 0.000 2.705 116 G HA2 0.837 4.796 3.960 -0.002 0.000 0.299 116 G HA3 0.837 4.796 3.960 -0.002 0.000 0.299 116 G C -1.175 173.696 174.900 -0.048 0.000 1.315 116 G CA -0.828 44.239 45.100 -0.055 0.000 1.045 116 G HN 1.302 nan 8.290 nan 0.000 0.517 117 I N -0.333 120.215 120.570 -0.037 0.000 2.685 117 I HA 0.417 4.586 4.170 -0.002 0.000 0.289 117 I C -1.155 174.934 176.117 -0.046 0.000 1.292 117 I CA -0.494 60.761 61.300 -0.074 0.000 1.050 117 I CB 1.943 39.929 38.000 -0.023 0.000 1.301 117 I HN 0.469 nan 8.210 nan 0.000 0.425 118 S N 4.775 120.312 115.700 -0.272 0.000 2.500 118 S HA 0.934 5.403 4.470 -0.002 0.000 0.301 118 S C -0.154 174.272 174.600 -0.291 0.000 1.092 118 S CA -0.581 57.406 58.200 -0.356 0.000 1.030 118 S CB 1.961 64.809 63.200 -0.587 0.000 1.031 118 S HN 0.888 nan 8.310 nan 0.000 0.483 119 G N 0.670 109.253 108.800 -0.361 0.000 2.921 119 G HA2 0.678 4.637 3.960 -0.002 0.000 0.291 119 G HA3 0.678 4.637 3.960 -0.002 0.000 0.291 119 G C -1.917 172.903 174.900 -0.134 0.000 1.370 119 G CA -0.443 44.548 45.100 -0.182 0.000 0.847 119 G HN 0.663 nan 8.290 nan 0.000 0.532 120 H N -0.302 118.685 119.070 -0.138 0.000 3.099 120 H HA 0.310 4.865 4.556 -0.002 0.000 0.342 120 H C -2.367 172.920 175.328 -0.069 0.000 1.054 120 H CA -1.098 54.888 56.048 -0.105 0.000 1.328 120 H CB 3.043 32.743 29.762 -0.103 0.000 1.876 120 H HN 0.165 nan 8.280 nan 0.000 0.495 121 P HA 0.069 nan 4.420 nan 0.000 0.229 121 P C 0.210 177.596 177.300 0.144 0.000 1.160 121 P CA 0.797 63.911 63.100 0.025 0.000 0.777 121 P CB 0.473 32.145 31.700 -0.045 0.000 0.814 122 L N -1.196 120.301 121.223 0.457 0.000 2.669 122 L HA 0.270 4.609 4.340 -0.002 0.000 0.273 122 L C -0.396 176.482 176.870 0.013 0.000 1.441 122 L CA -0.776 54.213 54.840 0.248 0.000 0.745 122 L CB 0.727 42.896 42.059 0.184 0.000 1.044 122 L HN -0.142 nan 8.230 nan 0.000 0.523 123 L N 1.688 122.878 121.223 -0.055 0.000 2.455 123 L HA 0.167 4.506 4.340 -0.002 0.000 0.272 123 L C 0.661 177.413 176.870 -0.196 0.000 1.174 123 L CA 0.418 55.097 54.840 -0.268 0.000 0.869 123 L CB 0.477 42.469 42.059 -0.113 0.000 1.130 123 L HN 0.330 nan 8.230 nan 0.000 0.474 124 N N 5.218 123.772 118.700 -0.244 0.000 2.402 124 N HA 0.123 4.862 4.740 -0.002 0.000 0.259 124 N C -1.036 174.430 175.510 -0.074 0.000 1.167 124 N CA 0.102 53.060 53.050 -0.153 0.000 0.949 124 N CB 0.087 38.467 38.487 -0.178 0.000 1.212 124 N HN 0.479 nan 8.380 nan 0.000 0.493 125 K N 5.292 125.671 120.400 -0.035 0.000 2.640 125 K HA 0.121 4.439 4.320 -0.002 0.000 0.245 125 K C -0.066 176.536 176.600 0.004 0.000 0.962 125 K CA -0.603 55.678 56.287 -0.010 0.000 0.896 125 K CB 1.029 33.376 32.500 -0.255 0.000 1.147 125 K HN 0.379 nan 8.250 nan 0.000 0.445 126 L N 3.571 124.848 121.223 0.091 0.000 1.938 126 L HA 0.048 4.387 4.340 -0.002 0.000 0.212 126 L C -0.217 176.706 176.870 0.087 0.000 1.085 126 L CA 2.124 57.011 54.840 0.080 0.000 0.760 126 L CB -0.275 41.840 42.059 0.094 0.000 0.888 126 L HN 0.872 nan 8.230 nan 0.000 0.433 127 D N -2.384 118.107 120.400 0.152 0.000 2.599 127 D HA 0.274 4.912 4.640 -0.002 0.000 0.252 127 D C -1.623 174.851 176.300 0.290 0.000 1.232 127 D CA -0.617 53.491 54.000 0.181 0.000 0.819 127 D CB 0.405 41.286 40.800 0.135 0.000 1.401 127 D HN 0.087 nan 8.370 nan 0.000 0.429 128 D N -0.672 119.897 120.400 0.281 0.000 2.359 128 D HA 0.312 4.951 4.640 -0.002 0.000 0.230 128 D C 0.544 176.915 176.300 0.117 0.000 1.118 128 D CA -0.450 53.714 54.000 0.273 0.000 0.844 128 D CB 0.965 41.916 40.800 0.252 0.000 1.059 128 D HN 0.359 nan 8.370 nan 0.000 0.493 129 T N 0.347 114.951 114.554 0.083 0.000 3.188 129 T HA 0.024 4.372 4.350 -0.002 0.000 0.250 129 T C 1.276 175.956 174.700 -0.034 0.000 1.077 129 T CA -0.133 62.005 62.100 0.062 0.000 0.967 129 T CB 0.024 68.987 68.868 0.158 0.000 1.006 129 T HN 0.565 nan 8.240 nan 0.000 0.552 130 E N 1.941 122.086 120.200 -0.093 0.000 2.107 130 E HA -0.095 4.253 4.350 -0.002 0.000 0.191 130 E C 0.839 177.386 176.600 -0.088 0.000 0.982 130 E CA 0.692 57.013 56.400 -0.132 0.000 0.809 130 E CB 0.167 29.741 29.700 -0.210 0.000 0.756 130 E HN 0.408 nan 8.360 nan 0.000 0.459 131 N N 0.186 118.853 118.700 -0.055 0.000 2.635 131 N HA 0.026 4.765 4.740 -0.002 0.000 0.252 131 N C -1.633 173.878 175.510 0.001 0.000 1.589 131 N CA -0.030 53.001 53.050 -0.032 0.000 0.828 131 N CB 0.569 39.030 38.487 -0.044 0.000 1.403 131 N HN 0.039 nan 8.380 nan 0.000 0.518 132 S N 0.054 115.767 115.700 0.021 0.000 2.536 132 S HA -0.018 4.450 4.470 -0.002 0.000 0.290 132 S C 1.368 175.994 174.600 0.042 0.000 1.302 132 S CA 0.451 58.681 58.200 0.050 0.000 1.037 132 S CB 0.331 63.576 63.200 0.074 0.000 0.804 132 S HN 0.549 nan 8.310 nan 0.000 0.506 133 N N 2.165 120.895 118.700 0.050 0.000 2.124 133 N HA 0.039 4.778 4.740 -0.002 0.000 0.188 133 N C 0.683 176.223 175.510 0.050 0.000 1.045 133 N CA 0.546 53.621 53.050 0.042 0.000 0.846 133 N CB 0.005 38.515 38.487 0.039 0.000 1.020 133 N HN 0.456 nan 8.380 nan 0.000 0.432 134 K N -0.661 119.780 120.400 0.068 0.000 1.725 134 K HA 0.225 4.544 4.320 -0.002 0.000 0.292 134 K C -1.477 175.225 176.600 0.169 0.000 0.876 134 K CA -0.483 55.860 56.287 0.094 0.000 0.564 134 K CB 0.175 32.713 32.500 0.064 0.000 3.053 134 K HN -0.015 nan 8.250 nan 0.000 1.082 135 Y N 1.594 121.908 120.300 0.023 0.000 2.301 135 Y HA 0.406 4.954 4.550 -0.002 0.000 0.325 135 Y C -1.523 174.389 175.900 0.021 0.000 1.103 135 Y CA -0.877 57.237 58.100 0.023 0.000 1.182 135 Y CB 0.795 39.268 38.460 0.021 0.000 1.139 135 Y HN 0.138 nan 8.280 nan 0.000 0.443 136 V N 5.075 124.744 119.914 -0.409 0.000 2.630 136 V HA 0.712 4.830 4.120 -0.002 0.000 0.305 136 V C 1.002 176.716 176.094 -0.633 0.000 1.046 136 V CA -0.426 61.600 62.300 -0.456 0.000 0.934 136 V CB 1.556 33.264 31.823 -0.191 0.000 1.003 136 V HN 0.999 nan 8.190 nan 0.000 0.451 137 G N 2.003 110.504 108.800 -0.498 0.000 2.720 137 G HA2 0.012 3.971 3.960 -0.002 0.000 0.237 137 G HA3 0.012 3.971 3.960 -0.002 0.000 0.237 137 G C 0.051 174.855 174.900 -0.160 0.000 1.239 137 G CA -0.351 44.543 45.100 -0.343 0.000 0.847 137 G HN 0.855 nan 8.290 nan 0.000 0.593 138 N N 0.322 118.998 118.700 -0.040 0.000 2.030 138 N HA 0.006 4.745 4.740 -0.002 0.000 0.292 138 N C 1.133 176.636 175.510 -0.013 0.000 1.315 138 N CA 0.822 53.877 53.050 0.009 0.000 0.810 138 N CB 0.381 38.884 38.487 0.027 0.000 1.048 138 N HN 0.663 nan 8.380 nan 0.000 0.492 139 S N 1.026 116.725 115.700 -0.002 0.000 2.502 139 S HA 0.547 5.016 4.470 -0.002 0.000 0.251 139 S C 1.036 175.634 174.600 -0.003 0.000 1.254 139 S CA -0.179 58.018 58.200 -0.006 0.000 0.989 139 S CB 0.215 63.417 63.200 0.003 0.000 1.015 139 S HN 0.578 nan 8.310 nan 0.000 0.529 140 G N -0.807 107.991 108.800 -0.003 0.000 3.414 140 G HA2 0.554 4.512 3.960 -0.002 0.000 0.189 140 G HA3 0.554 4.512 3.960 -0.002 0.000 0.189 140 G C -0.921 173.978 174.900 -0.001 0.000 1.329 140 G CA -0.434 44.665 45.100 -0.002 0.000 0.851 140 G HN 0.710 nan 8.290 nan 0.000 0.671 141 T N 0.897 115.450 114.554 -0.002 0.000 2.855 141 T HA 0.469 4.818 4.350 -0.002 0.000 0.281 141 T C -0.857 173.841 174.700 -0.004 0.000 1.007 141 T CA 0.422 62.520 62.100 -0.003 0.000 1.009 141 T CB 1.397 70.263 68.868 -0.003 0.000 0.983 141 T HN 0.633 nan 8.240 nan 0.000 0.455 142 D N 2.279 122.675 120.400 -0.006 0.000 3.357 142 D HA -0.153 4.486 4.640 -0.002 0.000 0.238 142 D C -0.243 176.054 176.300 -0.006 0.000 1.126 142 D CA 0.349 54.345 54.000 -0.007 0.000 0.984 142 D CB -1.112 39.685 40.800 -0.005 0.000 0.925 142 D HN 0.598 nan 8.370 nan 0.000 0.414 143 N N 1.469 120.165 118.700 -0.007 0.000 2.320 143 N HA 0.148 4.887 4.740 -0.002 0.000 0.237 143 N C 0.469 175.973 175.510 -0.011 0.000 1.129 143 N CA -0.444 52.604 53.050 -0.004 0.000 0.854 143 N CB 0.465 38.954 38.487 0.003 0.000 1.083 143 N HN 0.297 nan 8.380 nan 0.000 0.504 144 R N 1.382 121.872 120.500 -0.017 0.000 2.893 144 R HA 0.155 4.493 4.340 -0.002 0.000 0.279 144 R C 0.202 176.490 176.300 -0.020 0.000 1.076 144 R CA 0.334 56.416 56.100 -0.030 0.000 1.203 144 R CB 0.251 30.534 30.300 -0.029 0.000 1.137 144 R HN 0.422 nan 8.270 nan 0.000 0.541 145 E N -0.953 119.231 120.200 -0.026 0.000 2.388 145 E HA 0.129 4.477 4.350 -0.002 0.000 0.280 145 E C -1.511 175.088 176.600 -0.003 0.000 1.019 145 E CA -0.936 55.456 56.400 -0.014 0.000 0.806 145 E CB 0.897 30.582 29.700 -0.025 0.000 1.246 145 E HN 0.490 nan 8.360 nan 0.000 0.443 146 C N 2.640 121.945 119.300 0.009 0.000 2.627 146 C HA 0.524 4.983 4.460 -0.002 0.000 0.404 146 C C -0.230 174.758 174.990 -0.002 0.000 1.340 146 C CA 0.127 59.155 59.018 0.017 0.000 1.758 146 C CB -1.733 26.015 27.740 0.013 0.000 2.501 146 C HN 0.560 nan 8.230 nan 0.000 0.588 147 I N 6.628 127.198 120.570 0.000 0.000 2.599 147 I HA 0.254 4.423 4.170 -0.002 0.000 0.285 147 I C 0.234 176.348 176.117 -0.005 0.000 1.168 147 I CA 0.159 61.450 61.300 -0.015 0.000 1.060 147 I CB 1.953 39.915 38.000 -0.063 0.000 1.249 147 I HN 0.764 nan 8.210 nan 0.000 0.442 148 S N 6.678 122.368 115.700 -0.016 0.000 2.738 148 S HA 0.945 5.413 4.470 -0.002 0.000 0.284 148 S C -0.341 174.243 174.600 -0.027 0.000 1.146 148 S CA -0.680 57.498 58.200 -0.038 0.000 0.997 148 S CB 2.076 65.249 63.200 -0.046 0.000 1.081 148 S HN 0.716 nan 8.310 nan 0.000 0.553 149 M N 0.254 119.812 119.600 -0.071 0.000 2.635 149 M HA 0.276 4.755 4.480 -0.002 0.000 0.283 149 M C -2.657 173.554 176.300 -0.147 0.000 1.014 149 M CA -0.672 54.596 55.300 -0.055 0.000 0.850 149 M CB 1.716 34.355 32.600 0.065 0.000 1.798 149 M HN 0.790 nan 8.290 nan 0.000 0.552 150 D N 3.358 123.701 120.400 -0.096 0.000 2.249 150 D HA 0.353 4.991 4.640 -0.002 0.000 0.246 150 D C -1.018 175.290 176.300 0.014 0.000 1.114 150 D CA -0.069 53.874 54.000 -0.096 0.000 0.854 150 D CB 1.094 41.870 40.800 -0.039 0.000 1.132 150 D HN 0.698 nan 8.370 nan 0.000 0.461 151 Y N 0.543 120.880 120.300 0.063 0.000 2.281 151 Y HA 0.036 4.584 4.550 -0.003 0.000 0.337 151 Y C 1.607 177.536 175.900 0.049 0.000 1.304 151 Y CA -1.064 57.087 58.100 0.085 0.000 1.465 151 Y CB 0.997 39.530 38.460 0.122 0.000 1.350 151 Y HN 0.301 nan 8.280 nan 0.000 0.575 152 K N 1.995 122.535 120.400 0.235 0.000 2.586 152 K HA -0.175 4.144 4.320 -0.002 0.000 0.280 152 K C -0.454 176.232 176.600 0.144 0.000 0.972 152 K CA 0.017 56.387 56.287 0.138 0.000 1.040 152 K CB 0.306 32.883 32.500 0.128 0.000 0.870 152 K HN 0.680 nan 8.250 nan 0.000 0.497 153 Q N 3.235 123.104 119.800 0.114 0.000 2.331 153 Q HA 0.226 4.564 4.340 -0.002 0.000 0.257 153 Q C -1.380 174.681 176.000 0.102 0.000 0.957 153 Q CA -0.530 55.339 55.803 0.110 0.000 0.923 153 Q CB 1.424 30.218 28.738 0.095 0.000 1.212 153 Q HN 0.627 nan 8.270 nan 0.000 0.443 154 T N 3.009 117.626 114.554 0.105 0.000 2.916 154 T HA 0.507 4.855 4.350 -0.002 0.000 0.292 154 T C -0.843 173.911 174.700 0.090 0.000 1.055 154 T CA -0.840 61.315 62.100 0.093 0.000 1.009 154 T CB 1.767 70.692 68.868 0.094 0.000 1.118 154 T HN 0.648 nan 8.240 nan 0.000 0.497 155 Q N 1.397 121.244 119.800 0.077 0.000 2.444 155 Q HA 0.478 4.817 4.340 -0.002 0.000 0.239 155 Q C -1.452 174.613 176.000 0.109 0.000 0.853 155 Q CA -0.613 55.243 55.803 0.088 0.000 0.856 155 Q CB 1.423 30.118 28.738 -0.073 0.000 1.413 155 Q HN 0.620 nan 8.270 nan 0.000 0.437 156 L N -1.117 120.239 121.223 0.223 0.000 2.230 156 L HA 1.015 5.353 4.340 -0.002 0.000 0.255 156 L C -0.767 176.331 176.870 0.378 0.000 1.039 156 L CA -1.061 53.917 54.840 0.230 0.000 0.846 156 L CB 2.071 44.228 42.059 0.165 0.000 1.419 156 L HN 0.585 nan 8.230 nan 0.000 0.435 157 C N 1.260 120.753 119.300 0.321 0.000 3.087 157 C HA 0.541 5.000 4.460 -0.002 0.000 0.386 157 C C -1.248 173.938 174.990 0.327 0.000 1.013 157 C CA -0.600 58.653 59.018 0.391 0.000 1.287 157 C CB -1.120 27.004 27.740 0.640 0.000 1.615 157 C HN 0.844 nan 8.230 nan 0.000 0.536 158 L N 5.224 126.611 121.223 0.274 0.000 2.360 158 L HA 0.813 5.152 4.340 -0.002 0.000 0.271 158 L C -0.185 176.857 176.870 0.286 0.000 1.057 158 L CA -0.768 54.217 54.840 0.241 0.000 0.803 158 L CB 1.304 43.420 42.059 0.096 0.000 1.207 158 L HN 0.389 nan 8.230 nan 0.000 0.445 159 I N 1.374 122.130 120.570 0.309 0.000 2.512 159 I HA 0.697 4.866 4.170 -0.002 0.000 0.287 159 I C 0.107 176.253 176.117 0.048 0.000 1.069 159 I CA -0.165 61.335 61.300 0.334 0.000 1.056 159 I CB 1.373 39.693 38.000 0.533 0.000 1.229 159 I HN 0.756 nan 8.210 nan 0.000 0.429 160 G N 3.161 111.909 108.800 -0.088 0.000 2.660 160 G HA2 0.461 4.419 3.960 -0.002 0.000 0.290 160 G HA3 0.461 4.419 3.960 -0.002 0.000 0.290 160 G C -0.230 174.598 174.900 -0.120 0.000 1.432 160 G CA -0.432 44.302 45.100 -0.611 0.000 0.807 160 G HN 0.694 nan 8.290 nan 0.000 0.485 161 C N -0.670 118.569 119.300 -0.102 0.000 2.668 161 C HA 0.698 5.157 4.460 -0.002 0.000 0.301 161 C C 0.471 175.555 174.990 0.156 0.000 1.351 161 C CA -0.965 58.206 59.018 0.256 0.000 1.757 161 C CB -1.666 26.299 27.740 0.375 0.000 2.179 161 C HN 0.481 nan 8.230 nan 0.000 0.586 162 R N 1.392 121.827 120.500 -0.107 0.000 2.698 162 R HA 0.513 4.852 4.340 -0.002 0.000 0.275 162 R C -3.047 172.739 176.300 -0.857 0.000 1.001 162 R CA -1.420 54.434 56.100 -0.410 0.000 0.896 162 R CB 1.888 32.056 30.300 -0.220 0.000 1.218 162 R HN 0.087 nan 8.270 nan 0.000 0.462 163 P HA 0.067 nan 4.420 nan 0.000 0.268 163 P C -2.439 174.565 177.300 -0.493 0.000 1.204 163 P CA -0.881 61.590 63.100 -1.048 0.000 0.768 163 P CB 0.332 31.547 31.700 -0.808 0.000 0.842 164 P HA 0.213 nan 4.420 nan 0.000 0.274 164 P C 0.155 177.303 177.300 -0.254 0.000 1.237 164 P CA -0.225 62.717 63.100 -0.263 0.000 0.793 164 P CB 0.759 32.333 31.700 -0.209 0.000 0.977 165 I N -1.864 118.570 120.570 -0.228 0.000 2.783 165 I HA 0.856 5.024 4.170 -0.002 0.000 0.312 165 I C -0.100 175.893 176.117 -0.207 0.000 0.988 165 I CA -0.875 60.303 61.300 -0.204 0.000 1.182 165 I CB 1.793 39.698 38.000 -0.158 0.000 1.368 165 I HN 0.358 nan 8.210 nan 0.000 0.511 166 G N 2.730 111.431 108.800 -0.166 0.000 2.612 166 G HA2 0.618 4.576 3.960 -0.002 0.000 0.298 166 G HA3 0.618 4.576 3.960 -0.002 0.000 0.298 166 G C -1.712 173.162 174.900 -0.043 0.000 1.336 166 G CA -0.746 44.277 45.100 -0.129 0.000 0.953 166 G HN 0.846 nan 8.290 nan 0.000 0.482 167 E N 0.373 120.583 120.200 0.015 0.000 2.212 167 E HA 0.699 5.048 4.350 -0.002 0.000 0.268 167 E C -0.841 175.759 176.600 0.001 0.000 0.902 167 E CA -1.038 55.326 56.400 -0.060 0.000 0.779 167 E CB 2.203 31.823 29.700 -0.133 0.000 1.172 167 E HN 0.732 nan 8.360 nan 0.000 0.409 168 H N 0.525 119.480 119.070 -0.192 0.000 3.042 168 H HA 0.252 4.807 4.556 -0.002 0.000 0.346 168 H C -1.841 173.405 175.328 -0.136 0.000 1.294 168 H CA -1.271 54.706 56.048 -0.118 0.000 1.141 168 H CB 0.519 30.283 29.762 0.004 0.000 1.872 168 H HN 0.700 nan 8.280 nan 0.000 0.541 169 W N 1.698 122.999 121.300 0.002 0.000 2.335 169 W HA 0.554 5.213 4.660 -0.003 0.000 0.307 169 W C 0.513 176.989 176.519 -0.071 0.000 1.117 169 W CA -0.292 57.000 57.345 -0.089 0.000 1.228 169 W CB 1.798 31.226 29.460 -0.054 0.000 1.240 169 W HN 0.833 nan 8.180 nan 0.000 0.468 170 G N 2.279 111.145 108.800 0.110 0.000 2.667 170 G HA2 0.400 4.358 3.960 -0.002 0.000 0.310 170 G HA3 0.400 4.358 3.960 -0.002 0.000 0.310 170 G C -1.407 173.545 174.900 0.086 0.000 1.259 170 G CA -1.067 44.086 45.100 0.088 0.000 1.019 170 G HN 0.322 nan 8.290 nan 0.000 0.496 171 K N -0.034 120.402 120.400 0.060 0.000 2.349 171 K HA 0.476 4.795 4.320 -0.002 0.000 0.288 171 K C 0.362 176.982 176.600 0.033 0.000 1.058 171 K CA -0.228 56.082 56.287 0.037 0.000 0.953 171 K CB 0.348 32.865 32.500 0.027 0.000 0.997 171 K HN 0.494 nan 8.250 nan 0.000 0.477 172 G N 2.028 110.846 108.800 0.030 0.000 2.441 172 G HA2 0.247 4.205 3.960 -0.002 0.000 0.334 172 G HA3 0.247 4.205 3.960 -0.002 0.000 0.334 172 G C -0.866 174.044 174.900 0.017 0.000 1.161 172 G CA -0.668 44.448 45.100 0.028 0.000 0.935 172 G HN 0.590 nan 8.290 nan 0.000 0.488 173 T N 3.276 117.838 114.554 0.014 0.000 2.779 173 T HA 0.346 4.695 4.350 -0.002 0.000 0.296 173 T C -1.414 173.291 174.700 0.008 0.000 0.938 173 T CA -0.480 61.625 62.100 0.010 0.000 1.119 173 T CB 0.955 69.828 68.868 0.008 0.000 0.891 173 T HN 0.458 nan 8.240 nan 0.000 0.526 174 P HA 0.173 nan 4.420 nan 0.000 0.271 174 P C -0.022 177.280 177.300 0.004 0.000 1.233 174 P CA -0.524 62.578 63.100 0.003 0.000 0.789 174 P CB 0.434 32.135 31.700 0.001 0.000 0.951 175 S N -0.066 115.636 115.700 0.003 0.000 2.645 175 S HA 0.105 4.574 4.470 -0.002 0.000 0.266 175 S C 0.565 175.166 174.600 0.002 0.000 1.258 175 S CA -0.903 57.299 58.200 0.003 0.000 0.990 175 S CB 0.113 63.316 63.200 0.004 0.000 0.967 175 S HN 0.529 nan 8.310 nan 0.000 0.556 176 N N 1.397 120.099 118.700 0.002 0.000 2.360 176 N HA 0.191 4.929 4.740 -0.002 0.000 0.292 176 N C 0.066 175.577 175.510 0.001 0.000 1.330 176 N CA 0.625 53.676 53.050 0.001 0.000 1.009 176 N CB -0.662 37.825 38.487 0.001 0.000 1.419 176 N HN 0.765 nan 8.380 nan 0.000 0.487 177 A N 3.673 126.493 122.820 0.001 0.000 3.229 177 A HA 0.260 4.578 4.320 -0.002 0.000 0.131 177 A C -0.692 176.892 177.584 -0.000 0.000 1.366 177 A CA -0.462 51.575 52.037 0.000 0.000 2.531 177 A CB 0.175 19.175 19.000 0.000 0.000 2.936 177 A HN 0.509 nan 8.150 nan 0.000 1.241 178 N N 1.307 120.007 118.700 -0.000 0.000 2.513 178 N HA 0.409 5.147 4.740 -0.002 0.000 0.274 178 N C -0.266 175.243 175.510 -0.001 0.000 1.189 178 N CA -0.217 52.833 53.050 -0.001 0.000 0.975 178 N CB 0.643 39.129 38.487 -0.001 0.000 1.157 178 N HN 0.560 nan 8.380 nan 0.000 0.465 179 Q N 1.324 121.123 119.800 -0.001 0.000 2.293 179 Q HA 0.124 4.463 4.340 -0.002 0.000 0.263 179 Q C -0.877 175.121 176.000 -0.002 0.000 1.002 179 Q CA -0.341 55.461 55.803 -0.001 0.000 0.910 179 Q CB 0.506 29.244 28.738 -0.001 0.000 1.185 179 Q HN 0.408 nan 8.270 nan 0.000 0.401 180 V N 7.134 127.046 119.914 -0.002 0.000 2.157 180 V HA -0.027 4.092 4.120 -0.002 0.000 0.241 180 V C 0.743 176.835 176.094 -0.004 0.000 1.349 180 V CA -0.254 62.044 62.300 -0.004 0.000 1.319 180 V CB -1.105 30.716 31.823 -0.004 0.000 1.421 180 V HN 0.666 nan 8.190 nan 0.000 0.501 181 K N 2.631 123.029 120.400 -0.004 0.000 2.185 181 K HA 0.282 4.600 4.320 -0.002 0.000 0.245 181 K C 0.287 176.885 176.600 -0.004 0.000 1.035 181 K CA 0.188 56.473 56.287 -0.003 0.000 0.847 181 K CB 0.351 32.849 32.500 -0.003 0.000 1.056 181 K HN 0.387 nan 8.250 nan 0.000 0.518 182 A N -0.666 122.151 122.820 -0.004 0.000 2.401 182 A HA 0.490 4.808 4.320 -0.002 0.000 0.259 182 A C 1.150 178.730 177.584 -0.007 0.000 1.103 182 A CA 0.527 52.561 52.037 -0.005 0.000 0.789 182 A CB -0.452 18.545 19.000 -0.005 0.000 1.035 182 A HN 1.143 nan 8.150 nan 0.000 0.491 183 G N 1.122 109.917 108.800 -0.009 0.000 2.561 183 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.203 183 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.203 183 G C 0.298 175.190 174.900 -0.013 0.000 1.101 183 G CA 0.098 45.192 45.100 -0.010 0.000 0.711 183 G HN 0.745 nan 8.290 nan 0.000 0.511 184 E N 0.175 120.368 120.200 -0.011 0.000 2.478 184 E HA 0.252 4.600 4.350 -0.002 0.000 0.262 184 E C 0.409 176.999 176.600 -0.017 0.000 1.243 184 E CA 0.363 56.755 56.400 -0.013 0.000 1.039 184 E CB 0.524 30.217 29.700 -0.011 0.000 0.983 184 E HN 0.659 nan 8.360 nan 0.000 0.479 185 C N 3.613 122.901 119.300 -0.021 0.000 2.239 185 C HA 0.381 4.840 4.460 -0.002 0.000 0.323 185 C C -2.116 172.857 174.990 -0.027 0.000 1.205 185 C CA -1.852 57.149 59.018 -0.028 0.000 1.584 185 C CB -0.454 27.265 27.740 -0.035 0.000 2.201 185 C HN 0.382 nan 8.230 nan 0.000 0.475 186 P HA 0.229 nan 4.420 nan 0.000 0.268 186 P C -2.533 174.751 177.300 -0.026 0.000 1.205 186 P CA -0.589 62.499 63.100 -0.019 0.000 0.771 186 P CB 0.262 31.954 31.700 -0.014 0.000 0.858 187 P HA 0.101 nan 4.420 nan 0.000 0.271 187 P C -0.287 177.007 177.300 -0.008 0.000 1.218 187 P CA -0.050 63.038 63.100 -0.021 0.000 0.780 187 P CB 0.622 32.318 31.700 -0.007 0.000 0.901 188 L N 1.745 122.953 121.223 -0.025 0.000 2.416 188 L HA 0.493 4.831 4.340 -0.002 0.000 0.262 188 L C 0.792 177.753 176.870 0.152 0.000 1.093 188 L CA -0.133 54.722 54.840 0.026 0.000 0.801 188 L CB 0.135 42.104 42.059 -0.149 0.000 1.191 188 L HN 0.576 nan 8.230 nan 0.000 0.459 189 E N 0.573 120.934 120.200 0.269 0.000 2.356 189 E HA 0.373 4.722 4.350 -0.002 0.000 0.275 189 E C -1.781 174.931 176.600 0.187 0.000 0.904 189 E CA -0.803 55.744 56.400 0.245 0.000 0.757 189 E CB 2.956 32.706 29.700 0.082 0.000 1.232 189 E HN 0.352 nan 8.360 nan 0.000 0.442 190 L N 4.828 126.023 121.223 -0.046 0.000 2.264 190 L HA 0.459 4.797 4.340 -0.002 0.000 0.289 190 L C -1.581 175.080 176.870 -0.349 0.000 1.044 190 L CA -0.138 54.390 54.840 -0.519 0.000 0.807 190 L CB 0.655 42.215 42.059 -0.833 0.000 1.192 190 L HN 0.444 nan 8.230 nan 0.000 0.425 191 L N 5.133 126.097 121.223 -0.433 0.000 2.346 191 L HA 0.534 4.872 4.340 -0.002 0.000 0.276 191 L C -0.108 176.604 176.870 -0.263 0.000 1.006 191 L CA -0.688 53.955 54.840 -0.330 0.000 0.817 191 L CB 1.460 43.304 42.059 -0.359 0.000 1.272 191 L HN 0.555 nan 8.230 nan 0.000 0.421 192 N N 1.104 119.714 118.700 -0.151 0.000 2.529 192 N HA 0.380 5.119 4.740 -0.002 0.000 0.278 192 N C -0.422 175.057 175.510 -0.052 0.000 1.146 192 N CA 0.077 53.068 53.050 -0.100 0.000 0.980 192 N CB 1.838 40.271 38.487 -0.089 0.000 1.124 192 N HN 0.618 nan 8.380 nan 0.000 0.458 193 T N -0.554 113.971 114.554 -0.049 0.000 2.932 193 T HA 0.245 4.593 4.350 -0.002 0.000 0.318 193 T C -1.108 173.505 174.700 -0.143 0.000 1.265 193 T CA -0.611 61.460 62.100 -0.049 0.000 1.036 193 T CB 0.846 69.739 68.868 0.042 0.000 1.209 193 T HN 0.028 nan 8.240 nan 0.000 0.484 194 V N 5.885 125.668 119.914 -0.217 0.000 2.397 194 V HA 0.250 4.369 4.120 -0.002 0.000 0.262 194 V C 0.725 176.647 176.094 -0.287 0.000 1.047 194 V CA -0.264 61.828 62.300 -0.347 0.000 1.003 194 V CB -0.147 31.248 31.823 -0.713 0.000 1.037 194 V HN 0.762 nan 8.190 nan 0.000 0.480 195 L N 6.665 127.723 121.223 -0.276 0.000 2.667 195 L HA 0.006 4.345 4.340 -0.002 0.000 0.278 195 L C 0.455 177.274 176.870 -0.084 0.000 1.217 195 L CA 0.888 55.541 54.840 -0.312 0.000 0.935 195 L CB -0.212 41.614 42.059 -0.388 0.000 1.193 195 L HN 0.666 nan 8.230 nan 0.000 0.493 196 Q N 2.540 122.312 119.800 -0.047 0.000 2.372 196 Q HA 0.208 4.547 4.340 -0.002 0.000 0.273 196 Q C -0.739 175.347 176.000 0.144 0.000 1.078 196 Q CA -0.928 54.981 55.803 0.177 0.000 0.806 196 Q CB 2.451 31.212 28.738 0.038 0.000 1.332 196 Q HN 0.489 nan 8.270 nan 0.000 0.435 197 D N 0.937 121.485 120.400 0.247 0.000 2.658 197 D HA -0.076 4.563 4.640 -0.002 0.000 0.230 197 D C 0.588 176.958 176.300 0.117 0.000 1.118 197 D CA 2.211 56.304 54.000 0.155 0.000 0.848 197 D CB 0.400 41.310 40.800 0.182 0.000 1.160 197 D HN 0.851 nan 8.370 nan 0.000 0.497 198 G N 3.492 112.368 108.800 0.127 0.000 2.159 198 G HA2 -0.205 3.753 3.960 -0.002 0.000 0.227 198 G HA3 -0.205 3.753 3.960 -0.002 0.000 0.227 198 G C 0.140 175.115 174.900 0.124 0.000 0.986 198 G CA 0.116 45.286 45.100 0.118 0.000 0.651 198 G HN 0.621 nan 8.290 nan 0.000 0.523 199 D N 0.465 120.942 120.400 0.129 0.000 2.354 199 D HA 0.418 5.057 4.640 -0.002 0.000 0.238 199 D C 1.143 177.622 176.300 0.300 0.000 1.250 199 D CA 0.320 54.395 54.000 0.125 0.000 0.911 199 D CB 0.304 41.049 40.800 -0.091 0.000 1.163 199 D HN 0.064 nan 8.370 nan 0.000 0.456 200 M N 0.917 120.662 119.600 0.242 0.000 2.238 200 M HA 0.226 4.704 4.480 -0.002 0.000 0.350 200 M C -0.186 176.352 176.300 0.396 0.000 1.138 200 M CA -1.024 54.437 55.300 0.268 0.000 1.040 200 M CB 1.258 33.946 32.600 0.147 0.000 1.639 200 M HN 0.085 nan 8.290 nan 0.000 0.451 201 V N 0.486 120.575 119.914 0.292 0.000 3.185 201 V HA 0.189 4.307 4.120 -0.002 0.000 0.305 201 V C 0.151 176.377 176.094 0.220 0.000 1.090 201 V CA -1.055 61.393 62.300 0.246 0.000 1.107 201 V CB -0.164 31.674 31.823 0.025 0.000 1.061 201 V HN 0.947 nan 8.190 nan 0.000 0.480 202 D N 0.567 121.135 120.400 0.281 0.000 2.458 202 D HA 0.158 4.796 4.640 -0.002 0.000 0.243 202 D C 0.936 177.317 176.300 0.135 0.000 1.146 202 D CA 0.385 54.542 54.000 0.261 0.000 0.877 202 D CB 1.047 42.045 40.800 0.329 0.000 1.176 202 D HN 0.874 nan 8.370 nan 0.000 0.461 203 T N -0.532 114.043 114.554 0.035 0.000 3.069 203 T HA 0.422 4.770 4.350 -0.002 0.000 0.252 203 T C 1.439 176.186 174.700 0.079 0.000 1.053 203 T CA -0.007 61.993 62.100 -0.167 0.000 0.964 203 T CB 0.209 68.458 68.868 -1.032 0.000 1.005 203 T HN 0.981 nan 8.240 nan 0.000 0.532 204 G N 0.776 109.685 108.800 0.182 0.000 2.273 204 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.162 204 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.162 204 G C 0.133 175.084 174.900 0.086 0.000 1.006 204 G CA -0.339 44.825 45.100 0.107 0.000 0.704 204 G HN 0.441 nan 8.290 nan 0.000 0.487 205 F N 1.973 122.012 119.950 0.149 0.000 2.684 205 F HA 0.537 5.063 4.527 -0.002 0.000 0.298 205 F C 1.477 177.429 175.800 0.253 0.000 1.120 205 F CA 0.395 58.536 58.000 0.236 0.000 1.332 205 F CB 0.849 40.035 39.000 0.310 0.000 0.986 205 F HN 0.776 nan 8.300 nan 0.000 0.524 206 G N 0.869 109.881 108.800 0.354 0.000 2.746 206 G HA2 0.140 4.098 3.960 -0.002 0.000 0.685 206 G HA3 0.140 4.098 3.960 -0.002 0.000 0.685 206 G C -0.500 174.591 174.900 0.319 0.000 1.350 206 G CA -0.683 44.585 45.100 0.280 0.000 0.837 206 G HN 0.645 nan 8.290 nan 0.000 0.564 207 A N 1.085 124.082 122.820 0.295 0.000 2.880 207 A HA 0.735 5.053 4.320 -0.002 0.000 0.328 207 A C 0.637 178.388 177.584 0.278 0.000 1.440 207 A CA 0.776 52.994 52.037 0.300 0.000 1.068 207 A CB -0.598 18.564 19.000 0.268 0.000 1.163 207 A HN 1.775 nan 8.150 nan 0.000 0.510 208 M N -0.626 119.039 119.600 0.108 0.000 2.828 208 M HA 0.689 5.168 4.480 -0.002 0.000 0.284 208 M C -1.321 174.943 176.300 -0.060 0.000 1.166 208 M CA -0.830 54.480 55.300 0.016 0.000 0.770 208 M CB 1.069 33.547 32.600 -0.204 0.000 1.741 208 M HN 0.167 nan 8.290 nan 0.000 0.443 209 D N 0.180 120.542 120.400 -0.065 0.000 2.461 209 D HA 0.375 5.014 4.640 -0.002 0.000 0.240 209 D C -0.464 175.783 176.300 -0.088 0.000 1.094 209 D CA -0.420 53.588 54.000 0.012 0.000 0.868 209 D CB 0.584 41.464 40.800 0.134 0.000 1.062 209 D HN 0.552 nan 8.370 nan 0.000 0.530 210 F N 1.094 121.063 119.950 0.031 0.000 2.325 210 F HA -0.109 4.416 4.527 -0.002 0.000 0.299 210 F C 2.488 178.286 175.800 -0.004 0.000 1.090 210 F CA 1.133 59.133 58.000 0.001 0.000 1.392 210 F CB -0.044 38.939 39.000 -0.028 0.000 1.053 210 F HN 0.342 nan 8.300 nan 0.000 0.521 211 T N -2.532 112.116 114.554 0.157 0.000 2.770 211 T HA -0.159 4.190 4.350 -0.002 0.000 0.263 211 T C 2.082 176.815 174.700 0.055 0.000 1.039 211 T CA 1.683 63.839 62.100 0.093 0.000 1.142 211 T CB -1.051 67.864 68.868 0.078 0.000 0.868 211 T HN 0.360 nan 8.240 nan 0.000 0.435 212 T N 0.214 114.796 114.554 0.048 0.000 3.014 212 T HA 0.150 4.498 4.350 -0.002 0.000 0.263 212 T C 1.748 176.454 174.700 0.010 0.000 1.078 212 T CA 0.243 62.362 62.100 0.030 0.000 1.135 212 T CB -0.448 68.444 68.868 0.040 0.000 0.895 212 T HN 0.111 nan 8.240 nan 0.000 0.480 213 L N 0.738 121.956 121.223 -0.009 0.000 2.446 213 L HA 0.349 4.687 4.340 -0.002 0.000 0.219 213 L C 1.349 178.197 176.870 -0.037 0.000 1.116 213 L CA 1.043 55.859 54.840 -0.040 0.000 0.844 213 L CB -0.393 41.614 42.059 -0.088 0.000 0.970 213 L HN 0.385 nan 8.230 nan 0.000 0.457 214 Q N -0.858 118.936 119.800 -0.010 0.000 2.849 214 Q HA 0.410 4.749 4.340 -0.002 0.000 0.289 214 Q C 1.159 177.162 176.000 0.004 0.000 1.012 214 Q CA 0.143 55.945 55.803 -0.001 0.000 0.899 214 Q CB 1.101 29.864 28.738 0.043 0.000 1.235 214 Q HN 0.238 nan 8.270 nan 0.000 0.457 215 A N 3.148 125.965 122.820 -0.006 0.000 2.223 215 A HA -0.382 3.937 4.320 -0.002 0.000 0.247 215 A C 1.785 179.363 177.584 -0.011 0.000 2.041 215 A CA 2.608 54.641 52.037 -0.007 0.000 0.965 215 A CB -1.107 17.885 19.000 -0.014 0.000 0.749 215 A HN 0.883 nan 8.150 nan 0.000 0.510 216 N N 1.520 120.205 118.700 -0.024 0.000 2.484 216 N HA -0.286 4.453 4.740 -0.002 0.000 0.193 216 N C 0.659 176.150 175.510 -0.032 0.000 1.033 216 N CA 2.083 55.113 53.050 -0.033 0.000 0.906 216 N CB -0.875 37.578 38.487 -0.057 0.000 0.947 216 N HN 0.966 nan 8.380 nan 0.000 0.448 217 K N -1.433 118.955 120.400 -0.020 0.000 3.177 217 K HA -0.198 4.120 4.320 -0.002 0.000 0.266 217 K C -0.527 176.054 176.600 -0.031 0.000 0.937 217 K CA 1.089 57.377 56.287 0.002 0.000 0.702 217 K CB -2.054 30.466 32.500 0.034 0.000 1.365 217 K HN 0.225 nan 8.250 nan 0.000 0.466 218 S N -0.032 115.563 115.700 -0.176 0.000 2.700 218 S HA 0.012 4.480 4.470 -0.002 0.000 0.272 218 S C -0.347 173.932 174.600 -0.535 0.000 1.052 218 S CA 0.152 58.090 58.200 -0.436 0.000 1.317 218 S CB 0.425 63.467 63.200 -0.263 0.000 1.212 218 S HN 0.682 nan 8.310 nan 0.000 0.675 219 D N 1.948 122.135 120.400 -0.355 0.000 2.738 219 D HA 0.373 5.011 4.640 -0.002 0.000 0.246 219 D C -0.104 175.944 176.300 -0.420 0.000 1.270 219 D CA -0.431 53.332 54.000 -0.395 0.000 0.833 219 D CB 0.156 40.733 40.800 -0.371 0.000 1.040 219 D HN 0.168 nan 8.370 nan 0.000 0.487 220 V N -4.763 114.912 119.914 -0.398 0.000 3.108 220 V HA 0.497 4.615 4.120 -0.002 0.000 0.287 220 V C -3.003 172.947 176.094 -0.240 0.000 1.436 220 V CA -2.115 59.901 62.300 -0.473 0.000 1.001 220 V CB 1.528 32.956 31.823 -0.658 0.000 1.141 220 V HN -0.232 nan 8.190 nan 0.000 0.443 221 P HA 0.188 nan 4.420 nan 0.000 0.270 221 P C 0.892 178.174 177.300 -0.030 0.000 1.227 221 P CA -0.221 62.865 63.100 -0.024 0.000 0.788 221 P CB 0.456 32.149 31.700 -0.012 0.000 0.926 222 L N 1.725 122.917 121.223 -0.051 0.000 2.079 222 L HA -0.184 4.154 4.340 -0.002 0.000 0.210 222 L C 1.715 178.621 176.870 0.059 0.000 1.081 222 L CA 2.162 57.005 54.840 0.005 0.000 0.752 222 L CB -2.037 40.033 42.059 0.019 0.000 0.896 222 L HN 0.492 nan 8.230 nan 0.000 0.433 223 D N -0.315 120.121 120.400 0.060 0.000 2.351 223 D HA -0.186 4.452 4.640 -0.002 0.000 0.216 223 D C 1.549 177.874 176.300 0.042 0.000 0.968 223 D CA 1.131 55.221 54.000 0.150 0.000 0.899 223 D CB -0.323 40.647 40.800 0.282 0.000 0.907 223 D HN 0.619 nan 8.370 nan 0.000 0.514 224 I N -3.330 117.173 120.570 -0.111 0.000 4.670 224 I HA 0.228 4.397 4.170 -0.002 0.000 0.339 224 I C 1.532 177.420 176.117 -0.381 0.000 1.310 224 I CA -0.444 60.677 61.300 -0.298 0.000 1.288 224 I CB -0.051 37.558 38.000 -0.651 0.000 1.427 224 I HN 0.084 nan 8.210 nan 0.000 0.494 225 C N 0.879 120.047 119.300 -0.221 0.000 2.437 225 C HA 0.155 4.614 4.460 -0.002 0.000 0.283 225 C C 1.804 176.814 174.990 0.034 0.000 1.424 225 C CA 0.483 59.432 59.018 -0.116 0.000 1.782 225 C CB -1.928 25.804 27.740 -0.012 0.000 1.833 225 C HN 0.673 nan 8.230 nan 0.000 0.532 226 S N -0.350 115.374 115.700 0.040 0.000 2.668 226 S HA 0.560 5.029 4.470 -0.002 0.000 0.244 226 S C -0.122 174.528 174.600 0.084 0.000 1.140 226 S CA -0.252 57.992 58.200 0.073 0.000 1.134 226 S CB -0.094 63.135 63.200 0.047 0.000 0.954 226 S HN 0.558 nan 8.310 nan 0.000 0.490 227 S N 0.634 116.406 115.700 0.119 0.000 2.880 227 S HA 0.647 5.116 4.470 -0.002 0.000 0.308 227 S C -1.100 173.615 174.600 0.193 0.000 1.195 227 S CA -0.939 57.328 58.200 0.112 0.000 0.866 227 S CB 0.737 63.980 63.200 0.072 0.000 1.254 227 S HN 0.424 nan 8.310 nan 0.000 0.571 228 I N 1.064 121.694 120.570 0.100 0.000 2.406 228 I HA 0.368 4.537 4.170 -0.002 0.000 0.290 228 I C -0.909 175.277 176.117 0.115 0.000 0.999 228 I CA -0.415 60.922 61.300 0.060 0.000 1.124 228 I CB 1.268 39.134 38.000 -0.223 0.000 1.289 228 I HN 0.453 nan 8.210 nan 0.000 0.441 229 C N 6.433 125.902 119.300 0.282 0.000 2.347 229 C HA 0.391 4.849 4.460 -0.002 0.000 0.353 229 C C 0.456 175.586 174.990 0.232 0.000 1.273 229 C CA -0.555 58.637 59.018 0.290 0.000 1.861 229 C CB -0.076 27.926 27.740 0.437 0.000 2.420 229 C HN 0.692 nan 8.230 nan 0.000 0.542 230 K N 2.024 122.561 120.400 0.229 0.000 2.238 230 K HA 0.595 4.914 4.320 -0.002 0.000 0.239 230 K C -1.389 175.421 176.600 0.350 0.000 0.987 230 K CA -0.597 55.797 56.287 0.178 0.000 0.857 230 K CB 2.146 34.596 32.500 -0.083 0.000 1.154 230 K HN 0.677 nan 8.250 nan 0.000 0.439 231 Y N 0.939 121.331 120.300 0.153 0.000 2.401 231 Y HA 0.259 4.808 4.550 -0.002 0.000 0.330 231 Y C -2.747 173.213 175.900 0.100 0.000 1.071 231 Y CA -2.210 56.011 58.100 0.201 0.000 1.049 231 Y CB 1.875 40.440 38.460 0.174 0.000 1.239 231 Y HN 0.386 nan 8.280 nan 0.000 0.437 232 P HA -0.088 nan 4.420 nan 0.000 0.260 232 P C -0.633 176.474 177.300 -0.321 0.000 1.172 232 P CA 0.699 63.460 63.100 -0.564 0.000 0.760 232 P CB 0.470 31.485 31.700 -1.143 0.000 0.773 233 D N 3.296 123.569 120.400 -0.211 0.000 2.563 233 D HA 0.021 4.659 4.640 -0.002 0.000 0.222 233 D C 0.399 176.658 176.300 -0.069 0.000 1.145 233 D CA -0.276 53.704 54.000 -0.033 0.000 1.001 233 D CB -0.176 40.592 40.800 -0.053 0.000 1.049 233 D HN 0.301 nan 8.370 nan 0.000 0.515 234 Y N 1.056 121.326 120.300 -0.050 0.000 2.352 234 Y HA -0.102 4.447 4.550 -0.002 0.000 0.292 234 Y C 2.237 178.078 175.900 -0.098 0.000 1.136 234 Y CA 0.573 58.582 58.100 -0.152 0.000 1.227 234 Y CB 0.085 38.460 38.460 -0.141 0.000 0.991 234 Y HN 0.335 nan 8.280 nan 0.000 0.545 235 L N -0.205 121.095 121.223 0.129 0.000 2.056 235 L HA -0.223 4.115 4.340 -0.002 0.000 0.207 235 L C 2.496 179.380 176.870 0.023 0.000 1.078 235 L CA 1.483 56.364 54.840 0.068 0.000 0.749 235 L CB -0.274 41.822 42.059 0.062 0.000 0.901 235 L HN 0.142 nan 8.230 nan 0.000 0.433 236 K N 0.109 120.508 120.400 -0.002 0.000 1.980 236 K HA -0.156 4.162 4.320 -0.002 0.000 0.208 236 K C 2.182 178.763 176.600 -0.031 0.000 1.043 236 K CA 1.378 57.651 56.287 -0.022 0.000 0.938 236 K CB -0.091 32.383 32.500 -0.044 0.000 0.724 236 K HN 0.081 nan 8.250 nan 0.000 0.438 237 M N 0.458 120.016 119.600 -0.069 0.000 2.195 237 M HA -0.243 4.236 4.480 -0.002 0.000 0.254 237 M C 2.021 178.296 176.300 -0.042 0.000 1.083 237 M CA 1.495 56.745 55.300 -0.085 0.000 1.069 237 M CB -0.648 31.853 32.600 -0.165 0.000 1.364 237 M HN 0.047 nan 8.290 nan 0.000 0.403 238 V N -0.948 118.951 119.914 -0.025 0.000 2.535 238 V HA -0.106 4.012 4.120 -0.002 0.000 0.246 238 V C 2.311 178.429 176.094 0.040 0.000 1.045 238 V CA 1.689 63.997 62.300 0.013 0.000 1.058 238 V CB -0.012 31.824 31.823 0.023 0.000 0.689 238 V HN 0.404 nan 8.190 nan 0.000 0.461 239 S N -1.010 114.707 115.700 0.028 0.000 2.461 239 S HA -0.039 4.430 4.470 -0.002 0.000 0.228 239 S C 0.999 175.624 174.600 0.042 0.000 1.005 239 S CA 0.100 58.322 58.200 0.036 0.000 0.942 239 S CB -0.233 62.982 63.200 0.025 0.000 0.776 239 S HN 0.717 nan 8.310 nan 0.000 0.514 240 E N 2.709 122.932 120.200 0.038 0.000 2.502 240 E HA -0.057 4.291 4.350 -0.002 0.000 0.261 240 E C -1.360 175.282 176.600 0.069 0.000 0.974 240 E CA -1.122 55.305 56.400 0.046 0.000 0.936 240 E CB 0.733 30.461 29.700 0.046 0.000 0.926 240 E HN 0.112 nan 8.360 nan 0.000 0.459 241 P HA -0.199 nan 4.420 nan 0.000 0.215 241 P C 0.772 178.008 177.300 -0.108 0.000 1.157 241 P CA 1.562 64.611 63.100 -0.085 0.000 0.868 241 P CB -0.102 31.441 31.700 -0.262 0.000 0.788 242 Y N -0.005 120.355 120.300 0.100 0.000 2.420 242 Y HA 0.248 4.796 4.550 -0.002 0.000 0.292 242 Y C 1.598 177.650 175.900 0.253 0.000 1.119 242 Y CA 0.740 58.928 58.100 0.146 0.000 1.229 242 Y CB -0.813 37.700 38.460 0.088 0.000 1.026 242 Y HN 0.014 nan 8.280 nan 0.000 0.554 243 G N 1.635 110.623 108.800 0.314 0.000 2.331 243 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.254 243 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.254 243 G C -0.095 174.970 174.900 0.276 0.000 0.879 243 G CA 0.590 45.843 45.100 0.255 0.000 1.287 243 G HN 0.481 nan 8.290 nan 0.000 0.383 244 D N 1.243 121.746 120.400 0.172 0.000 2.473 244 D HA 0.034 4.673 4.640 -0.002 0.000 0.230 244 D C 2.278 178.508 176.300 -0.118 0.000 1.097 244 D CA 0.322 54.399 54.000 0.128 0.000 0.861 244 D CB 0.103 41.025 40.800 0.202 0.000 1.114 244 D HN 0.532 nan 8.370 nan 0.000 0.500 245 M N 0.933 120.480 119.600 -0.089 0.000 2.229 245 M HA -0.075 4.404 4.480 -0.002 0.000 0.264 245 M C -0.437 175.716 176.300 -0.245 0.000 1.063 245 M CA 1.356 56.557 55.300 -0.165 0.000 1.114 245 M CB 0.220 32.752 32.600 -0.113 0.000 1.387 245 M HN 0.024 nan 8.290 nan 0.000 0.420 246 L N -2.691 118.391 121.223 -0.236 0.000 2.611 246 L HA 0.414 4.752 4.340 -0.002 0.000 0.260 246 L C -1.368 175.459 176.870 -0.071 0.000 0.924 246 L CA -0.922 53.774 54.840 -0.239 0.000 0.901 246 L CB 0.428 42.424 42.059 -0.105 0.000 1.369 246 L HN 0.140 nan 8.230 nan 0.000 0.415 247 F N 1.500 121.597 119.950 0.244 0.000 2.791 247 F HA 0.779 5.305 4.527 -0.002 0.000 0.316 247 F C -0.480 175.551 175.800 0.384 0.000 1.134 247 F CA -1.392 56.770 58.000 0.271 0.000 1.222 247 F CB -0.058 39.086 39.000 0.239 0.000 1.034 247 F HN 0.424 nan 8.300 nan 0.000 0.516 248 F N 1.659 121.868 119.950 0.431 0.000 2.708 248 F HA 0.562 5.088 4.527 -0.002 0.000 0.309 248 F C -1.774 174.236 175.800 0.350 0.000 1.120 248 F CA -1.685 56.504 58.000 0.315 0.000 0.978 248 F CB 1.186 40.347 39.000 0.268 0.000 1.283 248 F HN 0.096 nan 8.300 nan 0.000 0.439 249 Y N 3.054 123.000 120.300 -0.589 0.000 2.677 249 Y HA 0.826 5.375 4.550 -0.002 0.000 0.334 249 Y C -2.404 173.212 175.900 -0.473 0.000 1.196 249 Y CA -1.767 56.153 58.100 -0.300 0.000 1.059 249 Y CB 1.623 40.079 38.460 -0.006 0.000 1.315 249 Y HN 0.588 nan 8.280 nan 0.000 0.455 250 L N 3.232 124.343 121.223 -0.186 0.000 2.680 250 L HA 0.502 4.840 4.340 -0.002 0.000 0.260 250 L C -1.212 175.643 176.870 -0.026 0.000 0.975 250 L CA -0.737 53.945 54.840 -0.264 0.000 0.920 250 L CB 1.964 43.841 42.059 -0.303 0.000 1.234 250 L HN 0.809 nan 8.230 nan 0.000 0.429 251 R N 1.618 122.105 120.500 -0.023 0.000 2.668 251 R HA 0.879 5.217 4.340 -0.002 0.000 0.279 251 R C -0.375 175.910 176.300 -0.025 0.000 0.976 251 R CA -0.998 55.122 56.100 0.034 0.000 0.978 251 R CB 1.828 32.155 30.300 0.045 0.000 1.133 251 R HN 0.387 nan 8.270 nan 0.000 0.484 252 R N 1.190 121.691 120.500 0.002 0.000 2.984 252 R HA 0.110 4.449 4.340 -0.002 0.000 0.252 252 R C -1.330 174.989 176.300 0.031 0.000 1.842 252 R CA -0.192 55.901 56.100 -0.011 0.000 1.389 252 R CB 0.743 31.009 30.300 -0.057 0.000 1.454 252 R HN 0.940 nan 8.270 nan 0.000 0.578 253 E N 2.053 122.288 120.200 0.057 0.000 2.264 253 E HA 0.493 4.842 4.350 -0.002 0.000 0.260 253 E C -1.186 175.459 176.600 0.076 0.000 0.961 253 E CA -1.164 55.287 56.400 0.086 0.000 0.834 253 E CB 2.045 31.829 29.700 0.139 0.000 1.230 253 E HN 0.363 nan 8.360 nan 0.000 0.412 254 Q N 1.175 121.029 119.800 0.090 0.000 2.887 254 Q HA 0.313 4.651 4.340 -0.002 0.000 0.211 254 Q C -1.457 174.609 176.000 0.109 0.000 0.879 254 Q CA -0.505 55.353 55.803 0.091 0.000 1.210 254 Q CB 0.946 29.731 28.738 0.079 0.000 1.663 254 Q HN 0.680 nan 8.270 nan 0.000 0.582 255 M N 3.261 122.931 119.600 0.116 0.000 2.843 255 M HA 0.852 5.330 4.480 -0.002 0.000 0.273 255 M C -1.927 174.490 176.300 0.194 0.000 1.286 255 M CA -0.746 54.621 55.300 0.113 0.000 0.807 255 M CB 2.326 34.957 32.600 0.052 0.000 1.684 255 M HN 0.942 nan 8.290 nan 0.000 0.458 256 F N -0.203 119.765 119.950 0.030 0.000 2.711 256 F HA 0.740 5.265 4.527 -0.002 0.000 0.313 256 F C -1.857 173.945 175.800 0.003 0.000 1.141 256 F CA -1.047 56.959 58.000 0.011 0.000 0.941 256 F CB 0.728 39.732 39.000 0.006 0.000 1.349 256 F HN 0.256 nan 8.300 nan 0.000 0.464 257 V N 3.117 123.211 119.914 0.301 0.000 2.339 257 V HA 0.340 4.458 4.120 -0.002 0.000 0.261 257 V C 1.073 177.268 176.094 0.169 0.000 1.058 257 V CA -0.296 62.065 62.300 0.101 0.000 0.897 257 V CB 0.205 32.065 31.823 0.062 0.000 1.052 257 V HN 0.948 nan 8.190 nan 0.000 0.480 258 R N 3.464 123.939 120.500 -0.041 0.000 2.061 258 R HA -0.016 4.322 4.340 -0.002 0.000 0.230 258 R C 0.584 177.011 176.300 0.212 0.000 1.140 258 R CA 1.711 57.886 56.100 0.126 0.000 0.940 258 R CB -0.056 30.255 30.300 0.018 0.000 0.839 258 R HN 0.795 nan 8.270 nan 0.000 0.429 259 H N -2.375 116.566 119.070 -0.214 0.000 2.949 259 H HA 0.580 5.135 4.556 -0.002 0.000 0.310 259 H C -1.216 173.763 175.328 -0.582 0.000 1.405 259 H CA -0.684 55.087 56.048 -0.461 0.000 1.253 259 H CB 1.350 30.634 29.762 -0.797 0.000 1.932 259 H HN 0.032 nan 8.280 nan 0.000 0.602 260 L N 1.539 122.347 121.223 -0.692 0.000 2.491 260 L HA 0.406 4.745 4.340 -0.002 0.000 0.267 260 L C -1.284 175.206 176.870 -0.633 0.000 0.971 260 L CA -0.201 54.328 54.840 -0.518 0.000 0.857 260 L CB 0.939 42.817 42.059 -0.302 0.000 1.226 260 L HN 0.310 nan 8.230 nan 0.000 0.408 261 F N 0.645 120.345 119.950 -0.417 0.000 2.541 261 F HA 0.433 4.959 4.527 -0.002 0.000 0.331 261 F C 0.576 176.295 175.800 -0.135 0.000 1.057 261 F CA -0.673 57.086 58.000 -0.403 0.000 0.975 261 F CB 1.803 40.326 39.000 -0.794 0.000 1.246 261 F HN 0.407 nan 8.300 nan 0.000 0.484 262 N N 0.801 119.689 118.700 0.314 0.000 2.473 262 N HA 0.288 5.026 4.740 -0.002 0.000 0.291 262 N C -0.585 175.136 175.510 0.352 0.000 1.083 262 N CA -0.816 52.384 53.050 0.251 0.000 0.951 262 N CB 0.772 39.367 38.487 0.179 0.000 1.164 262 N HN 0.316 nan 8.380 nan 0.000 0.480 263 R N 1.021 121.692 120.500 0.284 0.000 2.543 263 R HA 0.517 4.856 4.340 -0.002 0.000 0.268 263 R C -0.540 175.811 176.300 0.085 0.000 1.067 263 R CA -0.419 55.803 56.100 0.204 0.000 1.142 263 R CB 1.061 31.416 30.300 0.092 0.000 1.110 263 R HN 0.561 nan 8.270 nan 0.000 0.549 264 A N -0.310 122.533 122.820 0.038 0.000 2.330 264 A HA 0.762 5.081 4.320 -0.002 0.000 0.329 264 A C -0.082 177.499 177.584 -0.006 0.000 1.135 264 A CA 0.019 52.065 52.037 0.015 0.000 0.817 264 A CB 1.358 20.363 19.000 0.009 0.000 1.269 264 A HN 0.799 nan 8.150 nan 0.000 0.469 265 G N -0.197 108.599 108.800 -0.007 0.000 2.662 265 G HA2 0.339 4.298 3.960 -0.002 0.000 0.686 265 G HA3 0.339 4.298 3.960 -0.002 0.000 0.686 265 G C -0.057 174.834 174.900 -0.014 0.000 1.271 265 G CA -0.130 44.962 45.100 -0.013 0.000 0.816 265 G HN 2.220 nan 8.290 nan 0.000 0.608 266 T N -1.954 112.592 114.554 -0.013 0.000 2.940 266 T HA 0.442 4.791 4.350 -0.002 0.000 0.309 266 T C 0.670 175.358 174.700 -0.020 0.000 1.056 266 T CA -0.030 62.062 62.100 -0.013 0.000 1.137 266 T CB 1.510 70.372 68.868 -0.010 0.000 0.976 266 T HN 1.498 nan 8.240 nan 0.000 0.547 267 V N 4.633 124.533 119.914 -0.023 0.000 2.387 267 V HA 0.328 4.447 4.120 -0.002 0.000 0.260 267 V C 1.789 177.871 176.094 -0.021 0.000 1.054 267 V CA 0.367 62.650 62.300 -0.029 0.000 0.967 267 V CB 0.020 31.819 31.823 -0.039 0.000 1.036 267 V HN 1.208 nan 8.190 nan 0.000 0.481 268 G N 4.955 113.743 108.800 -0.021 0.000 2.639 268 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.216 268 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.216 268 G C 0.507 175.400 174.900 -0.012 0.000 1.267 268 G CA 0.201 45.291 45.100 -0.016 0.000 0.801 268 G HN 0.721 nan 8.290 nan 0.000 0.592 269 E N 1.721 121.913 120.200 -0.014 0.000 2.003 269 E HA 0.344 4.693 4.350 -0.002 0.000 0.279 269 E C 0.222 176.819 176.600 -0.004 0.000 1.132 269 E CA -0.246 56.149 56.400 -0.008 0.000 0.888 269 E CB 0.467 30.161 29.700 -0.009 0.000 1.056 269 E HN 0.392 nan 8.360 nan 0.000 0.399 270 T N -0.745 113.810 114.554 0.002 0.000 2.903 270 T HA 0.095 4.444 4.350 -0.002 0.000 0.314 270 T C 0.683 175.398 174.700 0.025 0.000 1.078 270 T CA -0.943 61.162 62.100 0.008 0.000 1.114 270 T CB 0.728 69.608 68.868 0.020 0.000 0.987 270 T HN 0.057 nan 8.240 nan 0.000 0.548 271 V N 4.196 124.125 119.914 0.025 0.000 2.740 271 V HA 0.201 4.319 4.120 -0.002 0.000 0.303 271 V C -1.786 174.399 176.094 0.151 0.000 1.054 271 V CA -1.358 60.980 62.300 0.063 0.000 1.106 271 V CB -0.111 31.712 31.823 -0.001 0.000 0.957 271 V HN 0.842 nan 8.190 nan 0.000 0.486 272 P HA 0.227 nan 4.420 nan 0.000 0.276 272 P C 0.415 177.822 177.300 0.179 0.000 1.264 272 P CA -0.157 63.019 63.100 0.127 0.000 0.769 272 P CB 0.844 32.592 31.700 0.079 0.000 0.840 273 A N 3.687 126.577 122.820 0.117 0.000 2.234 273 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 273 A C 1.232 178.638 177.584 -0.298 0.000 1.167 273 A CA 1.283 53.257 52.037 -0.104 0.000 0.698 273 A CB -0.726 18.216 19.000 -0.095 0.000 0.779 273 A HN 0.590 nan 8.150 nan 0.000 0.475 274 D N -0.803 119.531 120.400 -0.111 0.000 2.336 274 D HA 0.107 4.746 4.640 -0.002 0.000 0.228 274 D C 0.923 177.181 176.300 -0.071 0.000 1.120 274 D CA -0.022 53.910 54.000 -0.113 0.000 0.839 274 D CB -0.021 40.746 40.800 -0.056 0.000 0.932 274 D HN 0.488 nan 8.370 nan 0.000 0.509 275 L N -0.383 120.826 121.223 -0.024 0.000 2.766 275 L HA 0.187 4.526 4.340 -0.002 0.000 0.242 275 L C -0.522 176.434 176.870 0.144 0.000 1.136 275 L CA -0.254 54.635 54.840 0.083 0.000 0.933 275 L CB 0.180 42.334 42.059 0.159 0.000 1.241 275 L HN 0.088 nan 8.230 nan 0.000 0.522 276 Y N -2.629 117.670 120.300 -0.003 0.000 2.558 276 Y HA 0.549 5.098 4.550 -0.002 0.000 0.333 276 Y C -0.963 174.931 175.900 -0.010 0.000 1.125 276 Y CA -1.549 56.547 58.100 -0.006 0.000 1.039 276 Y CB 0.582 39.039 38.460 -0.006 0.000 1.331 276 Y HN -0.178 nan 8.280 nan 0.000 0.456 277 I N 4.280 124.849 120.570 -0.002 0.000 2.371 277 I HA 0.164 4.333 4.170 -0.002 0.000 0.290 277 I C 0.037 176.142 176.117 -0.020 0.000 1.028 277 I CA -0.825 60.425 61.300 -0.084 0.000 1.345 277 I CB 0.824 38.811 38.000 -0.021 0.000 1.407 277 I HN 0.490 nan 8.210 nan 0.000 0.501 278 K N 5.634 125.968 120.400 -0.110 0.000 2.272 278 K HA -0.083 4.236 4.320 -0.002 0.000 0.259 278 K C 0.343 176.977 176.600 0.057 0.000 1.280 278 K CA 0.019 56.317 56.287 0.018 0.000 1.275 278 K CB -0.474 32.015 32.500 -0.019 0.000 0.800 278 K HN 0.840 nan 8.250 nan 0.000 0.484 279 G N 2.708 111.572 108.800 0.106 0.000 2.351 279 G HA2 0.040 3.999 3.960 -0.002 0.000 0.287 279 G HA3 0.040 3.999 3.960 -0.002 0.000 0.287 279 G C 0.270 175.191 174.900 0.035 0.000 1.159 279 G CA -0.354 44.774 45.100 0.047 0.000 0.929 279 G HN 0.481 nan 8.290 nan 0.000 0.435 280 T N 1.920 116.492 114.554 0.030 0.000 2.939 280 T HA 0.254 4.602 4.350 -0.002 0.000 0.319 280 T C 0.794 175.523 174.700 0.048 0.000 1.082 280 T CA 1.247 63.369 62.100 0.037 0.000 1.133 280 T CB -0.218 68.671 68.868 0.035 0.000 1.019 280 T HN 1.239 nan 8.240 nan 0.000 0.548 281 T N 1.802 116.394 114.554 0.065 0.000 2.702 281 T HA 0.232 4.581 4.350 -0.002 0.000 0.487 281 T C 0.000 174.774 174.700 0.124 0.000 0.797 281 T CA 0.517 62.680 62.100 0.105 0.000 2.578 281 T CB -1.857 67.096 68.868 0.142 0.000 1.695 281 T HN 1.695 nan 8.240 nan 0.000 0.564 282 G N 0.965 109.835 108.800 0.117 0.000 2.352 282 G HA2 0.435 4.393 3.960 -0.002 0.000 0.303 282 G HA3 0.435 4.393 3.960 -0.002 0.000 0.303 282 G C -0.158 174.790 174.900 0.080 0.000 1.593 282 G CA -0.037 45.139 45.100 0.127 0.000 0.963 282 G HN 0.580 nan 8.290 nan 0.000 0.685 283 T N 1.242 115.851 114.554 0.091 0.000 3.176 283 T HA 0.450 4.798 4.350 -0.002 0.000 0.263 283 T C 0.203 174.910 174.700 0.011 0.000 1.021 283 T CA 0.237 62.368 62.100 0.052 0.000 0.905 283 T CB -0.156 68.745 68.868 0.055 0.000 1.057 283 T HN 1.804 nan 8.240 nan 0.000 0.558 284 L N 2.649 123.852 121.223 -0.033 0.000 2.456 284 L HA -0.066 4.273 4.340 -0.002 0.000 0.574 284 L C -2.168 174.658 176.870 -0.073 0.000 1.000 284 L CA -0.657 54.112 54.840 -0.120 0.000 1.269 284 L CB -0.762 41.200 42.059 -0.161 0.000 1.865 284 L HN 0.132 nan 8.230 nan 0.000 0.941 285 P HA 0.145 nan 4.420 nan 0.000 0.271 285 P C -0.242 177.030 177.300 -0.047 0.000 1.244 285 P CA -0.216 62.886 63.100 0.003 0.000 0.793 285 P CB 0.658 32.378 31.700 0.034 0.000 0.984 286 S N -0.372 115.306 115.700 -0.037 0.000 2.537 286 S HA 0.084 4.553 4.470 -0.002 0.000 0.286 286 S C 0.637 175.081 174.600 -0.260 0.000 1.299 286 S CA 0.060 58.196 58.200 -0.106 0.000 1.067 286 S CB -0.786 62.380 63.200 -0.056 0.000 0.864 286 S HN 0.464 nan 8.310 nan 0.000 0.494 287 T N 2.902 117.252 114.554 -0.340 0.000 3.182 287 T HA 0.149 4.498 4.350 -0.002 0.000 0.277 287 T C 0.162 174.423 174.700 -0.732 0.000 1.013 287 T CA -0.273 61.461 62.100 -0.609 0.000 0.900 287 T CB -0.056 68.694 68.868 -0.198 0.000 1.098 287 T HN 0.668 nan 8.240 nan 0.000 0.543 288 S N 1.852 117.264 115.700 -0.480 0.000 2.835 288 S HA 0.511 4.979 4.470 -0.002 0.000 0.286 288 S C -0.583 173.936 174.600 -0.135 0.000 1.194 288 S CA -0.878 57.197 58.200 -0.208 0.000 1.031 288 S CB -0.475 62.687 63.200 -0.063 0.000 1.216 288 S HN 0.330 nan 8.310 nan 0.000 0.502 289 Y N 2.195 122.593 120.300 0.164 0.000 2.432 289 Y HA 0.724 5.272 4.550 -0.002 0.000 0.322 289 Y C 0.029 176.102 175.900 0.287 0.000 1.246 289 Y CA -1.349 56.856 58.100 0.174 0.000 1.268 289 Y CB 0.942 39.439 38.460 0.062 0.000 1.276 289 Y HN 0.730 nan 8.280 nan 0.000 0.499 290 F N 0.168 120.281 119.950 0.271 0.000 2.703 290 F HA 0.795 5.321 4.527 -0.002 0.000 0.308 290 F C -3.601 172.302 175.800 0.172 0.000 1.126 290 F CA -2.417 55.704 58.000 0.202 0.000 0.959 290 F CB 1.678 40.829 39.000 0.251 0.000 1.297 290 F HN 0.148 nan 8.300 nan 0.000 0.441 291 P HA 0.409 nan 4.420 nan 0.000 0.289 291 P C -1.390 175.848 177.300 -0.104 0.000 1.302 291 P CA -0.515 62.499 63.100 -0.143 0.000 0.923 291 P CB 2.497 34.133 31.700 -0.106 0.000 1.238 292 T N 3.053 117.567 114.554 -0.067 0.000 2.743 292 T HA 0.361 4.710 4.350 -0.002 0.000 0.292 292 T C -1.941 172.713 174.700 -0.077 0.000 0.972 292 T CA -1.270 60.855 62.100 0.042 0.000 0.967 292 T CB 0.774 69.700 68.868 0.097 0.000 0.926 292 T HN 0.378 nan 8.240 nan 0.000 0.459 293 P HA 0.360 nan 4.420 nan 0.000 0.293 293 P C -0.488 176.667 177.300 -0.243 0.000 1.298 293 P CA -0.461 62.553 63.100 -0.143 0.000 0.757 293 P CB 0.806 32.484 31.700 -0.037 0.000 1.262 294 S N -2.782 112.689 115.700 -0.382 0.000 2.596 294 S HA 0.421 4.889 4.470 -0.002 0.000 0.305 294 S C 0.396 174.768 174.600 -0.381 0.000 1.086 294 S CA -0.162 57.721 58.200 -0.528 0.000 0.909 294 S CB -0.161 62.298 63.200 -1.234 0.000 1.106 294 S HN 0.584 nan 8.310 nan 0.000 0.450 295 G N 1.955 110.693 108.800 -0.103 0.000 3.042 295 G HA2 0.338 4.296 3.960 -0.002 0.000 0.212 295 G HA3 0.338 4.296 3.960 -0.002 0.000 0.212 295 G C 0.980 175.947 174.900 0.112 0.000 1.166 295 G CA 1.024 46.147 45.100 0.038 0.000 0.767 295 G HN 1.839 nan 8.290 nan 0.000 0.546 296 S N -0.663 115.118 115.700 0.135 0.000 4.155 296 S HA -0.353 4.115 4.470 -0.002 0.000 0.542 296 S C 0.533 175.228 174.600 0.158 0.000 1.863 296 S CA 1.899 60.274 58.200 0.292 0.000 4.239 296 S CB -1.220 62.230 63.200 0.417 0.000 0.331 296 S HN 1.166 nan 8.310 nan 0.000 0.461 297 M N 2.122 121.798 119.600 0.127 0.000 2.457 297 M HA 0.670 5.148 4.480 -0.002 0.000 0.300 297 M C -1.009 175.328 176.300 0.062 0.000 1.141 297 M CA -0.553 54.798 55.300 0.085 0.000 0.901 297 M CB 2.118 34.762 32.600 0.073 0.000 1.687 297 M HN 0.781 nan 8.290 nan 0.000 0.449 298 V N 1.059 121.002 119.914 0.048 0.000 2.630 298 V HA 0.978 5.097 4.120 -0.002 0.000 0.305 298 V C -0.343 175.766 176.094 0.026 0.000 1.046 298 V CA -0.278 62.044 62.300 0.037 0.000 0.934 298 V CB 1.150 32.996 31.823 0.038 0.000 1.003 298 V HN 0.971 nan 8.190 nan 0.000 0.451 299 T N -0.977 113.587 114.554 0.016 0.000 2.982 299 T HA 0.356 4.704 4.350 -0.002 0.000 0.321 299 T C 0.616 175.317 174.700 0.002 0.000 1.229 299 T CA 0.123 62.229 62.100 0.009 0.000 1.044 299 T CB 1.521 70.393 68.868 0.007 0.000 1.184 299 T HN 0.626 nan 8.240 nan 0.000 0.477 300 S N 1.442 117.143 115.700 0.002 0.000 2.420 300 S HA -0.136 4.332 4.470 -0.002 0.000 0.237 300 S C 1.362 175.956 174.600 -0.010 0.000 1.023 300 S CA 1.519 59.718 58.200 -0.002 0.000 0.991 300 S CB -0.392 62.807 63.200 -0.001 0.000 0.792 300 S HN 0.825 nan 8.310 nan 0.000 0.488 301 D N 1.429 121.824 120.400 -0.009 0.000 2.317 301 D HA 0.116 4.754 4.640 -0.002 0.000 0.211 301 D C 1.859 178.146 176.300 -0.021 0.000 0.966 301 D CA 0.847 54.839 54.000 -0.013 0.000 0.876 301 D CB -0.157 40.638 40.800 -0.009 0.000 0.927 301 D HN 0.485 nan 8.370 nan 0.000 0.519 302 A N 0.493 123.299 122.820 -0.024 0.000 2.072 302 A HA -0.050 4.269 4.320 -0.002 0.000 0.216 302 A C 1.204 178.747 177.584 -0.068 0.000 1.156 302 A CA 0.106 52.122 52.037 -0.036 0.000 0.701 302 A CB -0.029 18.957 19.000 -0.023 0.000 0.816 302 A HN -0.010 nan 8.150 nan 0.000 0.458 303 Q N -0.131 119.630 119.800 -0.066 0.000 2.398 303 Q HA -0.063 4.275 4.340 -0.002 0.000 0.329 303 Q C 0.716 176.625 176.000 -0.150 0.000 1.079 303 Q CA 0.578 56.318 55.803 -0.106 0.000 1.041 303 Q CB 0.655 29.362 28.738 -0.052 0.000 1.084 303 Q HN 0.694 nan 8.270 nan 0.000 0.386 304 I N 1.849 122.213 120.570 -0.342 0.000 3.708 304 I HA 0.068 4.237 4.170 -0.002 0.000 0.302 304 I C -0.017 175.924 176.117 -0.293 0.000 1.255 304 I CA 0.162 61.229 61.300 -0.388 0.000 1.362 304 I CB 0.458 38.103 38.000 -0.592 0.000 1.100 304 I HN 0.359 nan 8.210 nan 0.000 0.434 305 F N 1.071 121.078 119.950 0.095 0.000 2.362 305 F HA 0.323 4.849 4.527 -0.002 0.000 0.340 305 F C 1.194 176.959 175.800 -0.059 0.000 1.088 305 F CA -0.634 57.394 58.000 0.047 0.000 1.096 305 F CB 0.045 39.049 39.000 0.008 0.000 1.486 305 F HN -0.059 nan 8.300 nan 0.000 0.500 306 N N -0.609 118.146 118.700 0.093 0.000 2.708 306 N HA -0.229 4.510 4.740 -0.002 0.000 0.251 306 N C -1.270 174.166 175.510 -0.123 0.000 1.123 306 N CA 0.830 53.847 53.050 -0.055 0.000 0.739 306 N CB -1.108 37.368 38.487 -0.019 0.000 1.113 306 N HN 0.403 nan 8.380 nan 0.000 0.561 307 K N -0.081 120.194 120.400 -0.207 0.000 2.328 307 K HA 0.492 4.810 4.320 -0.002 0.000 0.246 307 K C -2.618 173.665 176.600 -0.527 0.000 0.955 307 K CA -1.992 54.159 56.287 -0.226 0.000 0.817 307 K CB 2.003 34.473 32.500 -0.050 0.000 1.208 307 K HN -0.158 nan 8.250 nan 0.000 0.432 308 P HA 0.061 nan 4.420 nan 0.000 0.280 308 P C -1.348 175.468 177.300 -0.806 0.000 1.244 308 P CA 0.032 62.655 63.100 -0.795 0.000 0.784 308 P CB 0.271 31.517 31.700 -0.755 0.000 0.913 309 Y N 1.205 121.034 120.300 -0.786 0.000 2.331 309 Y HA 0.291 4.840 4.550 -0.002 0.000 0.338 309 Y C 0.088 175.460 175.900 -0.880 0.000 0.976 309 Y CA -1.057 56.593 58.100 -0.750 0.000 1.137 309 Y CB 1.061 39.077 38.460 -0.741 0.000 1.172 309 Y HN 0.344 nan 8.280 nan 0.000 0.478 310 W N 5.789 127.072 121.300 -0.028 0.000 2.316 310 W HA 0.426 5.084 4.660 -0.002 0.000 0.339 310 W C -0.525 175.946 176.519 -0.081 0.000 1.002 310 W CA -1.033 56.273 57.345 -0.066 0.000 1.465 310 W CB 0.419 29.864 29.460 -0.026 0.000 1.300 310 W HN 0.414 nan 8.180 nan 0.000 0.378 311 L N 2.308 123.545 121.223 0.024 0.000 2.448 311 L HA 0.197 4.536 4.340 -0.002 0.000 0.278 311 L C 1.414 178.344 176.870 0.100 0.000 1.201 311 L CA -0.211 54.651 54.840 0.036 0.000 1.036 311 L CB -0.101 41.924 42.059 -0.056 0.000 1.325 311 L HN 0.565 nan 8.230 nan 0.000 0.441 312 Q N 1.672 121.559 119.800 0.144 0.000 2.061 312 Q HA 0.095 4.433 4.340 -0.002 0.000 0.195 312 Q C 0.190 176.241 176.000 0.084 0.000 0.967 312 Q CA 0.410 56.279 55.803 0.110 0.000 0.829 312 Q CB 0.020 28.819 28.738 0.101 0.000 0.900 312 Q HN 0.564 nan 8.270 nan 0.000 0.450 313 R N 0.699 121.258 120.500 0.098 0.000 2.437 313 R HA 0.602 4.941 4.340 -0.002 0.000 0.310 313 R C -1.066 175.305 176.300 0.119 0.000 0.955 313 R CA 0.056 56.207 56.100 0.085 0.000 0.851 313 R CB 1.904 32.246 30.300 0.070 0.000 1.161 313 R HN 0.367 nan 8.270 nan 0.000 0.446 314 A N 1.794 124.681 122.820 0.111 0.000 2.313 314 A HA 0.151 4.470 4.320 -0.002 0.000 0.261 314 A C 0.848 178.536 177.584 0.174 0.000 1.090 314 A CA -0.334 51.807 52.037 0.174 0.000 0.807 314 A CB 0.544 19.645 19.000 0.169 0.000 1.055 314 A HN 0.863 nan 8.150 nan 0.000 0.492 315 Q N 1.028 120.962 119.800 0.223 0.000 2.123 315 Q HA 0.207 4.545 4.340 -0.002 0.000 0.199 315 Q C 0.903 176.978 176.000 0.126 0.000 0.966 315 Q CA 1.445 57.349 55.803 0.168 0.000 0.845 315 Q CB -0.757 28.107 28.738 0.211 0.000 0.907 315 Q HN 0.769 nan 8.270 nan 0.000 0.439 316 G N -1.134 107.777 108.800 0.185 0.000 2.568 316 G HA2 0.305 4.264 3.960 -0.002 0.000 0.293 316 G HA3 0.305 4.264 3.960 -0.002 0.000 0.293 316 G C -0.463 174.544 174.900 0.178 0.000 1.347 316 G CA -0.250 44.956 45.100 0.176 0.000 1.039 316 G HN 0.359 nan 8.290 nan 0.000 0.523 317 H N -0.957 118.237 119.070 0.207 0.000 2.448 317 H HA 0.061 4.615 4.556 -0.002 0.000 0.292 317 H C 1.188 176.675 175.328 0.265 0.000 1.035 317 H CA 0.388 56.563 56.048 0.211 0.000 1.349 317 H CB 0.222 30.118 29.762 0.223 0.000 1.425 317 H HN 0.283 nan 8.280 nan 0.000 0.539 318 N N 1.941 120.937 118.700 0.493 0.000 2.438 318 N HA -0.109 4.629 4.740 -0.002 0.000 0.267 318 N C -0.675 175.004 175.510 0.281 0.000 1.222 318 N CA 0.151 53.474 53.050 0.454 0.000 0.930 318 N CB 0.028 38.864 38.487 0.582 0.000 1.083 318 N HN 0.229 nan 8.380 nan 0.000 0.476 319 N N 2.749 121.522 118.700 0.122 0.000 2.968 319 N HA 0.118 4.857 4.740 -0.002 0.000 0.271 319 N C 0.296 175.698 175.510 -0.181 0.000 1.174 319 N CA 0.161 53.204 53.050 -0.012 0.000 1.096 319 N CB -0.385 38.100 38.487 -0.004 0.000 1.403 319 N HN 0.746 nan 8.380 nan 0.000 0.522 320 G N 2.475 110.974 108.800 -0.501 0.000 2.421 320 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.300 320 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.300 320 G C 0.133 174.824 174.900 -0.348 0.000 0.974 320 G CA -0.084 44.436 45.100 -0.967 0.000 1.062 320 G HN 0.476 nan 8.290 nan 0.000 0.514 321 I N 0.285 120.738 120.570 -0.196 0.000 2.304 321 I HA 0.152 4.320 4.170 -0.002 0.000 0.291 321 I C 0.940 176.894 176.117 -0.273 0.000 1.018 321 I CA -0.780 60.321 61.300 -0.332 0.000 1.260 321 I CB 1.106 38.737 38.000 -0.614 0.000 1.390 321 I HN 0.198 nan 8.210 nan 0.000 0.475 322 C N 6.076 125.319 119.300 -0.095 0.000 2.861 322 C HA 0.156 4.614 4.460 -0.002 0.000 0.542 322 C C 0.532 175.558 174.990 0.060 0.000 1.074 322 C CA -1.191 57.880 59.018 0.089 0.000 1.232 322 C CB -2.337 25.519 27.740 0.192 0.000 1.433 322 C HN 0.604 nan 8.230 nan 0.000 0.606 323 W N 1.311 122.737 121.300 0.210 0.000 2.377 323 W HA 0.141 4.800 4.660 -0.003 0.000 0.341 323 W C 1.241 177.815 176.519 0.093 0.000 1.240 323 W CA 0.761 58.182 57.345 0.127 0.000 1.311 323 W CB 0.120 29.617 29.460 0.062 0.000 1.175 323 W HN 0.722 nan 8.180 nan 0.000 0.571 324 S N 2.353 118.243 115.700 0.318 0.000 3.749 324 S HA -0.287 4.182 4.470 -0.002 0.000 0.348 324 S C 0.047 174.742 174.600 0.159 0.000 1.045 324 S CA 0.562 58.865 58.200 0.171 0.000 1.051 324 S CB -1.979 61.295 63.200 0.123 0.000 0.898 324 S HN 0.748 nan 8.310 nan 0.000 0.472 325 N N -0.051 118.755 118.700 0.177 0.000 2.696 325 N HA -0.235 4.504 4.740 -0.002 0.000 0.254 325 N C 0.002 175.536 175.510 0.040 0.000 0.988 325 N CA 1.602 54.722 53.050 0.116 0.000 0.775 325 N CB -0.532 38.005 38.487 0.084 0.000 0.933 325 N HN 0.827 nan 8.380 nan 0.000 0.539 326 Q N -0.714 119.136 119.800 0.082 0.000 2.552 326 Q HA 0.808 5.146 4.340 -0.002 0.000 0.289 326 Q C -0.726 175.331 176.000 0.094 0.000 1.097 326 Q CA -0.749 55.082 55.803 0.047 0.000 0.812 326 Q CB 2.179 31.005 28.738 0.147 0.000 1.460 326 Q HN 0.214 nan 8.270 nan 0.000 0.452 327 L N 1.075 122.308 121.223 0.017 0.000 2.591 327 L HA 0.459 4.798 4.340 -0.002 0.000 0.257 327 L C -1.794 175.062 176.870 -0.023 0.000 0.935 327 L CA -0.531 54.387 54.840 0.131 0.000 0.873 327 L CB 1.847 43.947 42.059 0.068 0.000 1.397 327 L HN 0.595 nan 8.230 nan 0.000 0.414 328 F N 2.194 122.160 119.950 0.027 0.000 2.445 328 F HA 0.392 4.918 4.527 -0.003 0.000 0.348 328 F C 0.121 175.966 175.800 0.076 0.000 1.125 328 F CA -0.716 57.270 58.000 -0.023 0.000 0.983 328 F CB 1.879 40.786 39.000 -0.155 0.000 1.198 328 F HN -0.082 nan 8.300 nan 0.000 0.436 329 V N 3.354 123.422 119.914 0.256 0.000 2.299 329 V HA 0.203 4.322 4.120 -0.002 0.000 0.255 329 V C 0.145 176.401 176.094 0.270 0.000 1.100 329 V CA -0.560 61.931 62.300 0.318 0.000 0.938 329 V CB -0.154 31.900 31.823 0.385 0.000 1.139 329 V HN 0.758 nan 8.190 nan 0.000 0.490 330 T N 3.431 118.108 114.554 0.205 0.000 2.897 330 T HA 0.610 4.959 4.350 -0.002 0.000 0.294 330 T C -0.174 174.628 174.700 0.170 0.000 1.004 330 T CA -0.449 61.738 62.100 0.145 0.000 1.106 330 T CB 1.761 70.710 68.868 0.136 0.000 0.949 330 T HN 0.344 nan 8.240 nan 0.000 0.520 331 V N 2.858 122.833 119.914 0.102 0.000 2.697 331 V HA 0.332 4.451 4.120 -0.002 0.000 0.296 331 V C -0.760 175.356 176.094 0.037 0.000 1.140 331 V CA -0.855 61.510 62.300 0.108 0.000 0.921 331 V CB 2.070 33.957 31.823 0.107 0.000 1.036 331 V HN 0.786 nan 8.190 nan 0.000 0.438 332 V N 3.428 123.389 119.914 0.079 0.000 2.555 332 V HA 0.726 4.844 4.120 -0.002 0.000 0.302 332 V C -1.042 175.177 176.094 0.209 0.000 1.038 332 V CA -0.325 61.977 62.300 0.004 0.000 0.887 332 V CB 2.165 33.873 31.823 -0.193 0.000 0.991 332 V HN 0.939 nan 8.190 nan 0.000 0.434 333 D N 2.271 122.800 120.400 0.215 0.000 2.365 333 D HA 0.252 4.890 4.640 -0.002 0.000 0.235 333 D C 0.555 176.987 176.300 0.220 0.000 1.368 333 D CA -0.116 54.068 54.000 0.307 0.000 1.001 333 D CB 1.763 42.797 40.800 0.390 0.000 1.364 333 D HN 0.585 nan 8.370 nan 0.000 0.577 334 T N -0.814 113.847 114.554 0.178 0.000 3.122 334 T HA 0.039 4.388 4.350 -0.002 0.000 0.250 334 T C 1.597 176.374 174.700 0.128 0.000 1.067 334 T CA 0.591 62.786 62.100 0.158 0.000 0.966 334 T CB -0.004 68.956 68.868 0.153 0.000 1.002 334 T HN 0.344 nan 8.240 nan 0.000 0.542 335 T N 0.398 115.027 114.554 0.125 0.000 2.985 335 T HA 0.073 4.422 4.350 -0.002 0.000 0.266 335 T C 1.891 176.634 174.700 0.071 0.000 1.076 335 T CA 0.025 62.177 62.100 0.086 0.000 1.135 335 T CB -0.181 68.733 68.868 0.077 0.000 0.890 335 T HN 0.338 nan 8.240 nan 0.000 0.480 336 R N 1.597 122.154 120.500 0.095 0.000 2.290 336 R HA 0.178 4.517 4.340 -0.002 0.000 0.197 336 R C 2.151 178.492 176.300 0.068 0.000 0.913 336 R CA 0.705 56.855 56.100 0.084 0.000 1.040 336 R CB -0.232 30.123 30.300 0.091 0.000 0.992 336 R HN 0.608 nan 8.270 nan 0.000 0.500 337 S N 1.464 117.207 115.700 0.071 0.000 2.776 337 S HA -0.117 4.351 4.470 -0.002 0.000 0.259 337 S C 0.561 174.952 174.600 -0.348 0.000 0.992 337 S CA 0.518 58.674 58.200 -0.072 0.000 1.005 337 S CB -1.335 61.899 63.200 0.058 0.000 0.779 337 S HN 0.226 nan 8.310 nan 0.000 0.548 338 T N 1.075 115.432 114.554 -0.329 0.000 2.884 338 T HA 0.281 4.629 4.350 -0.002 0.000 0.298 338 T C -0.186 174.211 174.700 -0.505 0.000 0.998 338 T CA -0.806 61.103 62.100 -0.318 0.000 1.124 338 T CB 0.301 69.076 68.868 -0.154 0.000 0.931 338 T HN 0.467 nan 8.240 nan 0.000 0.531 339 N N 3.289 121.791 118.700 -0.331 0.000 2.816 339 N HA 0.252 4.991 4.740 -0.002 0.000 0.236 339 N C 0.395 175.815 175.510 -0.150 0.000 1.076 339 N CA -0.595 52.300 53.050 -0.259 0.000 0.902 339 N CB 0.621 38.949 38.487 -0.265 0.000 1.149 339 N HN 0.687 nan 8.380 nan 0.000 0.506 340 M N 0.111 119.654 119.600 -0.095 0.000 2.252 340 M HA 0.173 4.651 4.480 -0.002 0.000 0.333 340 M C -0.022 176.251 176.300 -0.045 0.000 1.111 340 M CA 0.098 55.367 55.300 -0.052 0.000 1.140 340 M CB 0.289 32.878 32.600 -0.019 0.000 1.538 340 M HN 0.170 nan 8.290 nan 0.000 0.448 341 S N 2.612 118.301 115.700 -0.019 0.000 2.422 341 S HA 0.581 5.049 4.470 -0.002 0.000 0.308 341 S C -0.109 174.520 174.600 0.048 0.000 1.097 341 S CA -0.994 57.213 58.200 0.012 0.000 1.099 341 S CB 0.839 64.047 63.200 0.014 0.000 0.976 341 S HN 0.738 nan 8.310 nan 0.000 0.471 342 V N 0.971 120.938 119.914 0.087 0.000 2.509 342 V HA 0.700 4.818 4.120 -0.002 0.000 0.284 342 V C 0.217 176.423 176.094 0.187 0.000 1.047 342 V CA -0.991 61.375 62.300 0.109 0.000 0.952 342 V CB 0.295 32.163 31.823 0.075 0.000 0.988 342 V HN 1.088 nan 8.190 nan 0.000 0.469 343 C N 4.613 124.014 119.300 0.169 0.000 2.369 343 C HA 0.795 5.254 4.460 -0.002 0.000 0.322 343 C C 0.147 175.285 174.990 0.247 0.000 1.258 343 C CA 0.124 59.282 59.018 0.232 0.000 1.487 343 C CB 0.710 28.566 27.740 0.193 0.000 2.165 343 C HN 1.141 nan 8.230 nan 0.000 0.483 344 S N 3.283 119.155 115.700 0.286 0.000 2.503 344 S HA 0.842 5.310 4.470 -0.002 0.000 0.301 344 S C -0.175 174.525 174.600 0.166 0.000 1.087 344 S CA -0.216 58.106 58.200 0.205 0.000 1.042 344 S CB 1.395 64.689 63.200 0.156 0.000 1.043 344 S HN 1.329 nan 8.310 nan 0.000 0.489 345 A N 3.350 126.195 122.820 0.042 0.000 2.306 345 A HA 0.592 4.910 4.320 -0.002 0.000 0.314 345 A C 0.988 178.470 177.584 -0.171 0.000 1.164 345 A CA -0.598 51.303 52.037 -0.226 0.000 0.822 345 A CB 0.729 19.540 19.000 -0.314 0.000 1.130 345 A HN 0.729 nan 8.150 nan 0.000 0.496 346 V N 1.492 121.257 119.914 -0.248 0.000 2.323 346 V HA -0.030 4.088 4.120 -0.002 0.000 0.244 346 V C 0.936 176.944 176.094 -0.143 0.000 1.041 346 V CA 2.177 64.383 62.300 -0.157 0.000 1.025 346 V CB -0.398 31.327 31.823 -0.163 0.000 0.656 346 V HN 1.027 nan 8.190 nan 0.000 0.451 347 S N -1.270 114.311 115.700 -0.199 0.000 2.689 347 S HA 0.257 4.726 4.470 -0.002 0.000 0.274 347 S C 0.129 174.640 174.600 -0.149 0.000 1.176 347 S CA 0.031 58.148 58.200 -0.138 0.000 1.014 347 S CB 1.532 64.669 63.200 -0.104 0.000 1.071 347 S HN 0.355 nan 8.310 nan 0.000 0.478 348 S N 1.187 116.831 115.700 -0.094 0.000 2.851 348 S HA 0.009 4.478 4.470 -0.002 0.000 0.227 348 S C 1.356 175.942 174.600 -0.024 0.000 0.958 348 S CA 0.128 58.298 58.200 -0.051 0.000 0.990 348 S CB -0.880 62.314 63.200 -0.009 0.000 0.790 348 S HN 0.989 nan 8.310 nan 0.000 0.509 349 S N 0.162 115.838 115.700 -0.040 0.000 2.527 349 S HA 0.068 4.536 4.470 -0.002 0.000 0.222 349 S C 0.252 174.846 174.600 -0.011 0.000 0.985 349 S CA -0.241 57.946 58.200 -0.021 0.000 0.921 349 S CB -0.220 62.964 63.200 -0.028 0.000 0.772 349 S HN 0.452 nan 8.310 nan 0.000 0.529 350 D N 1.976 122.366 120.400 -0.017 0.000 2.283 350 D HA 0.361 4.999 4.640 -0.002 0.000 0.248 350 D C 0.781 177.108 176.300 0.044 0.000 1.072 350 D CA 0.184 54.187 54.000 0.004 0.000 0.929 350 D CB 1.767 42.557 40.800 -0.016 0.000 1.182 350 D HN 0.393 nan 8.370 nan 0.000 0.433 351 S N -1.143 114.589 115.700 0.053 0.000 2.559 351 S HA 0.107 4.576 4.470 -0.002 0.000 0.226 351 S C 0.660 175.317 174.600 0.095 0.000 1.030 351 S CA -0.219 58.023 58.200 0.070 0.000 0.956 351 S CB 0.466 63.695 63.200 0.048 0.000 0.900 351 S HN 0.315 nan 8.310 nan 0.000 0.510 352 T N 1.914 116.528 114.554 0.100 0.000 2.888 352 T HA 0.434 4.782 4.350 -0.002 0.000 0.284 352 T C -1.268 173.548 174.700 0.193 0.000 1.017 352 T CA -0.463 61.716 62.100 0.133 0.000 1.022 352 T CB 1.035 69.962 68.868 0.098 0.000 1.013 352 T HN 0.290 nan 8.240 nan 0.000 0.465 353 Y N 2.894 123.262 120.300 0.114 0.000 2.605 353 Y HA 0.260 4.808 4.550 -0.002 0.000 0.336 353 Y C 0.291 176.295 175.900 0.174 0.000 1.111 353 Y CA 0.486 58.679 58.100 0.156 0.000 1.422 353 Y CB 0.067 38.550 38.460 0.038 0.000 1.193 353 Y HN 0.398 nan 8.280 nan 0.000 0.526 354 K N 5.066 125.316 120.400 -0.251 0.000 2.507 354 K HA 0.210 4.528 4.320 -0.002 0.000 0.251 354 K C 0.133 176.614 176.600 -0.198 0.000 0.943 354 K CA -0.714 55.493 56.287 -0.133 0.000 0.794 354 K CB 1.633 34.107 32.500 -0.044 0.000 1.188 354 K HN 0.675 nan 8.250 nan 0.000 0.428 355 N N 1.147 119.793 118.700 -0.090 0.000 2.166 355 N HA -0.179 4.560 4.740 -0.002 0.000 0.186 355 N C 0.697 176.233 175.510 0.043 0.000 1.019 355 N CA 1.119 54.181 53.050 0.020 0.000 0.856 355 N CB 0.106 38.649 38.487 0.094 0.000 0.993 355 N HN 0.519 nan 8.380 nan 0.000 0.426 356 D N 0.351 120.745 120.400 -0.009 0.000 2.221 356 D HA -0.148 4.491 4.640 -0.002 0.000 0.204 356 D C 0.976 177.218 176.300 -0.096 0.000 0.982 356 D CA 0.912 54.891 54.000 -0.035 0.000 0.857 356 D CB -0.387 40.390 40.800 -0.039 0.000 0.934 356 D HN 0.318 nan 8.370 nan 0.000 0.475 357 N N -1.101 117.483 118.700 -0.193 0.000 2.434 357 N HA -0.003 4.736 4.740 -0.002 0.000 0.196 357 N C -0.982 174.056 175.510 -0.787 0.000 1.183 357 N CA 0.053 52.837 53.050 -0.444 0.000 0.849 357 N CB 0.070 38.220 38.487 -0.562 0.000 0.992 357 N HN -0.106 nan 8.380 nan 0.000 0.460 358 F N -0.432 119.463 119.950 -0.091 0.000 2.591 358 F HA 0.443 4.969 4.527 -0.002 0.000 0.309 358 F C -0.333 175.461 175.800 -0.010 0.000 1.098 358 F CA -1.051 56.925 58.000 -0.039 0.000 0.937 358 F CB 1.858 40.825 39.000 -0.055 0.000 1.250 358 F HN -0.340 nan 8.300 nan 0.000 0.447 359 K N 2.201 122.717 120.400 0.194 0.000 2.292 359 K HA 0.435 4.754 4.320 -0.002 0.000 0.257 359 K C -0.997 175.654 176.600 0.085 0.000 0.940 359 K CA -1.006 55.324 56.287 0.071 0.000 0.811 359 K CB 2.039 34.553 32.500 0.024 0.000 1.120 359 K HN 0.401 nan 8.250 nan 0.000 0.428 360 E N 2.310 122.479 120.200 -0.051 0.000 2.175 360 E HA 0.295 4.643 4.350 -0.002 0.000 0.278 360 E C -1.058 175.465 176.600 -0.129 0.000 0.969 360 E CA -0.440 55.973 56.400 0.021 0.000 0.796 360 E CB 1.164 30.885 29.700 0.034 0.000 1.104 360 E HN 0.361 nan 8.360 nan 0.000 0.395 361 Y N 0.749 121.085 120.300 0.060 0.000 2.499 361 Y HA 0.448 4.996 4.550 -0.003 0.000 0.347 361 Y C 0.063 175.951 175.900 -0.018 0.000 0.987 361 Y CA -0.792 57.340 58.100 0.054 0.000 1.044 361 Y CB 1.499 39.995 38.460 0.060 0.000 1.245 361 Y HN 0.260 nan 8.280 nan 0.000 0.461 362 L N 3.749 124.986 121.223 0.024 0.000 2.317 362 L HA 0.686 5.025 4.340 -0.002 0.000 0.281 362 L C -0.517 176.188 176.870 -0.276 0.000 1.024 362 L CA -0.895 53.826 54.840 -0.199 0.000 0.810 362 L CB 1.273 43.074 42.059 -0.430 0.000 1.240 362 L HN 0.519 nan 8.230 nan 0.000 0.427 363 R N 1.804 122.198 120.500 -0.176 0.000 2.564 363 R HA 0.373 4.711 4.340 -0.002 0.000 0.284 363 R C -1.444 174.841 176.300 -0.025 0.000 1.031 363 R CA -0.748 55.286 56.100 -0.110 0.000 0.904 363 R CB 2.014 32.297 30.300 -0.029 0.000 1.199 363 R HN 0.680 nan 8.270 nan 0.000 0.443 364 H N 0.450 119.442 119.070 -0.130 0.000 2.658 364 H HA 0.569 5.124 4.556 -0.002 0.000 0.337 364 H C -0.702 174.625 175.328 -0.002 0.000 1.009 364 H CA -0.694 55.312 56.048 -0.069 0.000 1.231 364 H CB 1.712 31.421 29.762 -0.088 0.000 1.508 364 H HN 0.769 nan 8.280 nan 0.000 0.517 365 G N 3.625 112.537 108.800 0.187 0.000 2.379 365 G HA2 0.243 4.202 3.960 -0.002 0.000 0.327 365 G HA3 0.243 4.202 3.960 -0.002 0.000 0.327 365 G C -0.826 174.099 174.900 0.042 0.000 1.145 365 G CA -0.523 44.605 45.100 0.046 0.000 0.905 365 G HN 0.552 nan 8.290 nan 0.000 0.466 366 E N 0.001 120.222 120.200 0.035 0.000 2.277 366 E HA 0.395 4.744 4.350 -0.002 0.000 0.274 366 E C -0.383 176.367 176.600 0.250 0.000 1.022 366 E CA -0.423 56.080 56.400 0.173 0.000 0.853 366 E CB 1.567 31.452 29.700 0.308 0.000 1.086 366 E HN 0.583 nan 8.360 nan 0.000 0.397 367 E N 3.062 123.362 120.200 0.167 0.000 2.279 367 E HA 0.242 4.591 4.350 -0.002 0.000 0.252 367 E C -1.302 175.283 176.600 -0.024 0.000 0.894 367 E CA -0.465 56.017 56.400 0.135 0.000 0.785 367 E CB 0.420 30.157 29.700 0.060 0.000 1.237 367 E HN 0.379 nan 8.360 nan 0.000 0.418 368 Y N 1.783 122.063 120.300 -0.032 0.000 2.631 368 Y HA 0.535 5.084 4.550 -0.002 0.000 0.328 368 Y C -0.279 175.530 175.900 -0.152 0.000 1.118 368 Y CA -0.962 57.057 58.100 -0.134 0.000 1.206 368 Y CB 1.789 40.104 38.460 -0.241 0.000 1.337 368 Y HN 0.540 nan 8.280 nan 0.000 0.515 369 D N 0.354 120.743 120.400 -0.018 0.000 2.891 369 D HA 0.427 5.066 4.640 -0.002 0.000 0.224 369 D C -2.002 174.197 176.300 -0.168 0.000 1.321 369 D CA -0.281 53.668 54.000 -0.084 0.000 0.929 369 D CB 0.879 41.642 40.800 -0.061 0.000 1.551 369 D HN 0.438 nan 8.370 nan 0.000 0.574 370 L N 3.824 124.943 121.223 -0.172 0.000 2.298 370 L HA 0.488 4.826 4.340 -0.002 0.000 0.284 370 L C 0.047 176.790 176.870 -0.211 0.000 1.013 370 L CA -0.679 54.038 54.840 -0.207 0.000 0.824 370 L CB 1.420 43.470 42.059 -0.014 0.000 1.221 370 L HN 0.363 nan 8.230 nan 0.000 0.418 371 Q N 2.818 122.253 119.800 -0.608 0.000 2.241 371 Q HA 0.787 5.126 4.340 -0.002 0.000 0.262 371 Q C -1.411 173.796 176.000 -1.322 0.000 1.014 371 Q CA -0.740 54.709 55.803 -0.590 0.000 0.885 371 Q CB 2.533 31.085 28.738 -0.310 0.000 1.311 371 Q HN 0.312 nan 8.270 nan 0.000 0.461 372 F N -0.353 119.231 119.950 -0.610 0.000 2.711 372 F HA 0.604 5.130 4.527 -0.002 0.000 0.313 372 F C -0.826 174.448 175.800 -0.877 0.000 1.141 372 F CA -0.894 56.662 58.000 -0.739 0.000 0.941 372 F CB 1.481 39.977 39.000 -0.839 0.000 1.349 372 F HN 0.307 nan 8.300 nan 0.000 0.464 373 I N 1.801 121.901 120.570 -0.783 0.000 2.571 373 I HA 0.374 4.542 4.170 -0.002 0.000 0.286 373 I C -1.590 174.080 176.117 -0.746 0.000 1.134 373 I CA -0.275 60.643 61.300 -0.637 0.000 1.052 373 I CB 1.783 39.597 38.000 -0.311 0.000 1.237 373 I HN 0.350 nan 8.210 nan 0.000 0.435 374 F N 3.757 123.544 119.950 -0.272 0.000 2.556 374 F HA 0.556 5.081 4.527 -0.002 0.000 0.327 374 F C 0.177 175.947 175.800 -0.050 0.000 1.059 374 F CA -0.612 57.280 58.000 -0.179 0.000 0.953 374 F CB 1.657 40.382 39.000 -0.458 0.000 1.227 374 F HN 0.324 nan 8.300 nan 0.000 0.478 375 Q N 1.708 121.670 119.800 0.269 0.000 2.353 375 Q HA 0.470 4.809 4.340 -0.002 0.000 0.268 375 Q C -1.507 174.578 176.000 0.141 0.000 1.045 375 Q CA -1.239 54.550 55.803 -0.023 0.000 0.811 375 Q CB 2.411 31.033 28.738 -0.193 0.000 1.305 375 Q HN 0.665 nan 8.270 nan 0.000 0.447 376 L N 3.510 124.713 121.223 -0.034 0.000 2.360 376 L HA 0.327 4.666 4.340 -0.002 0.000 0.276 376 L C -1.386 175.310 176.870 -0.289 0.000 1.121 376 L CA 0.343 54.989 54.840 -0.323 0.000 0.845 376 L CB 0.481 42.186 42.059 -0.590 0.000 1.143 376 L HN 0.720 nan 8.230 nan 0.000 0.452 377 C N 4.391 123.508 119.300 -0.305 0.000 2.634 377 C HA 0.657 5.115 4.460 -0.002 0.000 0.313 377 C C -0.413 174.441 174.990 -0.226 0.000 1.198 377 C CA -1.147 57.748 59.018 -0.204 0.000 1.605 377 C CB 1.717 29.389 27.740 -0.113 0.000 2.196 377 C HN 0.881 nan 8.230 nan 0.000 0.486 378 K N 1.833 122.144 120.400 -0.148 0.000 2.244 378 K HA 0.855 5.174 4.320 -0.002 0.000 0.260 378 K C -1.587 175.019 176.600 0.010 0.000 0.951 378 K CA -0.251 55.958 56.287 -0.130 0.000 0.826 378 K CB 0.975 33.382 32.500 -0.155 0.000 1.108 378 K HN 0.744 nan 8.250 nan 0.000 0.433 379 I N 2.653 123.242 120.570 0.032 0.000 2.545 379 I HA 0.216 4.384 4.170 -0.002 0.000 0.292 379 I C -0.718 175.460 176.117 0.101 0.000 1.040 379 I CA -0.924 60.471 61.300 0.158 0.000 1.068 379 I CB 2.655 40.841 38.000 0.310 0.000 1.251 379 I HN 0.690 nan 8.210 nan 0.000 0.424 380 T N 6.831 121.465 114.554 0.134 0.000 2.758 380 T HA 0.458 4.806 4.350 -0.002 0.000 0.285 380 T C -0.075 174.693 174.700 0.113 0.000 0.981 380 T CA -0.442 61.724 62.100 0.110 0.000 0.965 380 T CB 0.720 69.650 68.868 0.104 0.000 0.927 380 T HN 0.268 nan 8.240 nan 0.000 0.448 381 L N 5.001 126.278 121.223 0.090 0.000 2.401 381 L HA 0.295 4.634 4.340 -0.002 0.000 0.283 381 L C 1.262 178.181 176.870 0.081 0.000 1.151 381 L CA -0.315 54.587 54.840 0.103 0.000 0.942 381 L CB -0.447 41.671 42.059 0.100 0.000 1.283 381 L HN 0.751 nan 8.230 nan 0.000 0.442 382 T N -1.184 113.419 114.554 0.081 0.000 2.938 382 T HA 0.649 4.998 4.350 -0.002 0.000 0.285 382 T C 1.205 175.938 174.700 0.055 0.000 1.028 382 T CA -0.158 61.979 62.100 0.062 0.000 1.005 382 T CB 1.777 70.683 68.868 0.062 0.000 1.157 382 T HN 0.310 nan 8.240 nan 0.000 0.550 383 A N 1.212 124.058 122.820 0.043 0.000 1.852 383 A HA -0.164 4.154 4.320 -0.002 0.000 0.217 383 A C 1.975 179.583 177.584 0.040 0.000 1.215 383 A CA 2.289 54.347 52.037 0.036 0.000 0.641 383 A CB -1.485 17.532 19.000 0.028 0.000 0.838 383 A HN 0.980 nan 8.150 nan 0.000 0.450 384 D N -0.259 120.167 120.400 0.044 0.000 2.108 384 D HA -0.153 4.485 4.640 -0.002 0.000 0.190 384 D C 2.144 178.482 176.300 0.063 0.000 0.995 384 D CA 1.965 55.996 54.000 0.052 0.000 0.834 384 D CB -0.795 40.032 40.800 0.046 0.000 0.967 384 D HN 0.226 nan 8.370 nan 0.000 0.446 385 V N 1.884 121.831 119.914 0.056 0.000 2.233 385 V HA -0.334 3.785 4.120 -0.002 0.000 0.252 385 V C 2.738 178.862 176.094 0.049 0.000 1.063 385 V CA 1.898 64.222 62.300 0.041 0.000 1.032 385 V CB -0.617 31.245 31.823 0.065 0.000 0.645 385 V HN 0.230 nan 8.190 nan 0.000 0.446 386 M N -0.390 119.248 119.600 0.064 0.000 2.089 386 M HA -0.251 4.228 4.480 -0.002 0.000 0.257 386 M C 2.237 178.569 176.300 0.054 0.000 1.071 386 M CA 2.589 57.927 55.300 0.064 0.000 1.096 386 M CB -0.830 31.812 32.600 0.071 0.000 1.330 386 M HN 0.514 nan 8.290 nan 0.000 0.403 387 T N -0.931 113.657 114.554 0.056 0.000 2.746 387 T HA -0.205 4.144 4.350 -0.002 0.000 0.267 387 T C 1.473 176.214 174.700 0.068 0.000 1.039 387 T CA 1.347 63.478 62.100 0.052 0.000 1.142 387 T CB -0.504 68.389 68.868 0.042 0.000 0.866 387 T HN 0.427 nan 8.240 nan 0.000 0.444 388 Y N 1.485 121.757 120.300 -0.048 0.000 2.242 388 Y HA -0.003 4.546 4.550 -0.002 0.000 0.291 388 Y C 1.961 177.761 175.900 -0.166 0.000 1.137 388 Y CA 0.851 58.904 58.100 -0.078 0.000 1.181 388 Y CB -0.392 38.001 38.460 -0.111 0.000 0.989 388 Y HN 0.166 nan 8.280 nan 0.000 0.527 389 I N -0.764 119.708 120.570 -0.163 0.000 2.546 389 I HA -0.292 3.877 4.170 -0.002 0.000 0.255 389 I C 2.516 178.383 176.117 -0.416 0.000 1.163 389 I CA 1.191 62.257 61.300 -0.390 0.000 1.457 389 I CB -0.605 37.193 38.000 -0.338 0.000 1.092 389 I HN 0.372 nan 8.210 nan 0.000 0.434 390 H N 1.262 120.162 119.070 -0.283 0.000 2.267 390 H HA -0.151 4.404 4.556 -0.002 0.000 0.297 390 H C 2.375 177.544 175.328 -0.266 0.000 1.080 390 H CA 2.226 58.130 56.048 -0.239 0.000 1.278 390 H CB 0.163 29.840 29.762 -0.142 0.000 1.365 390 H HN 0.200 nan 8.280 nan 0.000 0.489 391 S N 1.038 116.669 115.700 -0.114 0.000 2.370 391 S HA -0.191 4.277 4.470 -0.002 0.000 0.226 391 S C 2.353 176.761 174.600 -0.320 0.000 1.033 391 S CA 1.366 59.485 58.200 -0.136 0.000 1.011 391 S CB -0.348 62.813 63.200 -0.066 0.000 0.852 391 S HN 0.434 nan 8.310 nan 0.000 0.457 392 M N 1.226 120.481 119.600 -0.575 0.000 2.180 392 M HA -0.125 4.353 4.480 -0.002 0.000 0.260 392 M C 0.479 176.328 176.300 -0.752 0.000 1.071 392 M CA 1.659 56.375 55.300 -0.973 0.000 1.096 392 M CB -0.046 31.819 32.600 -1.224 0.000 1.276 392 M HN 0.323 nan 8.290 nan 0.000 0.426 393 N N -1.024 117.271 118.700 -0.674 0.000 2.752 393 N HA 0.179 4.917 4.740 -0.002 0.000 0.268 393 N C -2.470 172.704 175.510 -0.560 0.000 1.190 393 N CA -1.108 51.611 53.050 -0.551 0.000 0.897 393 N CB 1.669 39.827 38.487 -0.548 0.000 1.515 393 N HN -0.010 nan 8.380 nan 0.000 0.567 394 P HA -0.161 nan 4.420 nan 0.000 0.215 394 P C 1.032 178.092 177.300 -0.401 0.000 1.153 394 P CA 1.288 64.040 63.100 -0.580 0.000 0.853 394 P CB 0.327 31.719 31.700 -0.513 0.000 0.788 395 S N 0.558 116.059 115.700 -0.332 0.000 2.402 395 S HA -0.159 4.309 4.470 -0.002 0.000 0.233 395 S C 2.120 176.497 174.600 -0.371 0.000 1.030 395 S CA 1.305 59.342 58.200 -0.273 0.000 1.003 395 S CB -1.129 61.948 63.200 -0.205 0.000 0.813 395 S HN 0.187 nan 8.310 nan 0.000 0.477 396 I N 0.891 121.157 120.570 -0.508 0.000 2.226 396 I HA -0.175 3.994 4.170 -0.002 0.000 0.245 396 I C 2.197 177.707 176.117 -1.011 0.000 1.100 396 I CA 1.179 62.012 61.300 -0.779 0.000 1.374 396 I CB -0.325 37.147 38.000 -0.881 0.000 1.057 396 I HN 0.218 nan 8.210 nan 0.000 0.413 397 L N 0.178 121.039 121.223 -0.604 0.000 2.109 397 L HA -0.146 4.192 4.340 -0.002 0.000 0.207 397 L C 2.567 179.376 176.870 -0.100 0.000 1.086 397 L CA 1.243 55.920 54.840 -0.272 0.000 0.760 397 L CB -0.346 41.648 42.059 -0.109 0.000 0.910 397 L HN 0.219 nan 8.230 nan 0.000 0.437 398 E N 0.010 120.123 120.200 -0.145 0.000 2.017 398 E HA -0.221 4.128 4.350 -0.002 0.000 0.193 398 E C 1.211 177.792 176.600 -0.033 0.000 0.997 398 E CA 1.357 57.718 56.400 -0.064 0.000 0.804 398 E CB -0.173 29.471 29.700 -0.093 0.000 0.757 398 E HN 0.485 nan 8.360 nan 0.000 0.448 399 D N -0.311 120.028 120.400 -0.101 0.000 2.390 399 D HA -0.122 4.516 4.640 -0.002 0.000 0.235 399 D C 0.374 176.751 176.300 0.128 0.000 1.040 399 D CA 0.471 54.456 54.000 -0.025 0.000 0.923 399 D CB -0.122 40.642 40.800 -0.060 0.000 0.886 399 D HN 0.296 nan 8.370 nan 0.000 0.532 400 W N 2.321 123.632 121.300 0.018 0.000 3.086 400 W HA 0.137 4.796 4.660 -0.002 0.000 0.436 400 W C 0.211 176.744 176.519 0.024 0.000 0.939 400 W CA -0.527 56.836 57.345 0.029 0.000 2.108 400 W CB -0.927 28.558 29.460 0.042 0.000 1.093 400 W HN 0.019 nan 8.180 nan 0.000 0.783 441 L N 1.017 122.245 121.223 0.009 0.000 3.165 441 L HA 0.375 4.713 4.340 -0.002 0.000 0.327 441 L C 1.463 178.255 176.870 -0.131 0.000 1.294 441 L CA -0.274 54.567 54.840 0.002 0.000 0.838 441 L CB 1.286 43.533 42.059 0.313 0.000 1.274 441 L HN -0.052 nan 8.230 nan 0.000 0.590 442 K N 0.395 120.689 120.400 -0.176 0.000 2.209 442 K HA -0.058 4.260 4.320 -0.002 0.000 0.204 442 K C 1.079 177.540 176.600 -0.233 0.000 1.048 442 K CA 1.116 57.309 56.287 -0.156 0.000 0.940 442 K CB 0.353 32.781 32.500 -0.119 0.000 0.729 442 K HN 0.415 nan 8.250 nan 0.000 0.451 443 N N -0.509 117.942 118.700 -0.416 0.000 2.280 443 N HA 0.004 4.742 4.740 -0.002 0.000 0.192 443 N C -0.656 174.636 175.510 -0.363 0.000 1.109 443 N CA 0.261 53.076 53.050 -0.393 0.000 0.855 443 N CB 0.447 38.650 38.487 -0.473 0.000 0.974 443 N HN 0.156 nan 8.380 nan 0.000 0.482 444 Y N 0.731 120.885 120.300 -0.245 0.000 2.360 444 Y HA 0.258 4.807 4.550 -0.002 0.000 0.337 444 Y C 0.557 176.039 175.900 -0.696 0.000 1.039 444 Y CA -1.155 56.660 58.100 -0.475 0.000 1.109 444 Y CB 1.244 39.342 38.460 -0.603 0.000 1.201 444 Y HN -0.170 nan 8.280 nan 0.000 0.458 445 T N 1.564 115.871 114.554 -0.412 0.000 2.832 445 T HA 0.531 4.879 4.350 -0.002 0.000 0.313 445 T C -0.667 173.899 174.700 -0.223 0.000 1.035 445 T CA -0.539 61.375 62.100 -0.310 0.000 0.950 445 T CB -0.514 68.290 68.868 -0.106 0.000 0.984 445 T HN 0.363 nan 8.240 nan 0.000 0.486 446 F N 0.774 120.807 119.950 0.138 0.000 2.572 446 F HA 0.607 5.132 4.527 -0.002 0.000 0.342 446 F C 0.166 176.072 175.800 0.177 0.000 1.064 446 F CA -1.796 56.291 58.000 0.144 0.000 1.008 446 F CB 1.292 40.391 39.000 0.165 0.000 1.303 446 F HN 0.474 nan 8.300 nan 0.000 0.492 447 W N 3.198 124.619 121.300 0.203 0.000 2.308 447 W HA 0.286 4.946 4.660 -0.001 0.000 0.311 447 W C -0.797 175.834 176.519 0.187 0.000 1.088 447 W CA -0.983 56.447 57.345 0.141 0.000 1.309 447 W CB 0.534 30.041 29.460 0.077 0.000 1.229 447 W HN 0.490 nan 8.180 nan 0.000 0.427 448 E N 4.453 124.924 120.200 0.452 0.000 2.324 448 E HA 0.202 4.550 4.350 -0.002 0.000 0.271 448 E C -0.681 176.110 176.600 0.318 0.000 1.028 448 E CA -0.207 56.367 56.400 0.292 0.000 0.890 448 E CB 1.969 31.767 29.700 0.162 0.000 1.004 448 E HN 0.203 nan 8.360 nan 0.000 0.431 449 V N 3.517 123.528 119.914 0.162 0.000 2.419 449 V HA 0.063 4.181 4.120 -0.002 0.000 0.287 449 V C -0.398 175.694 176.094 -0.003 0.000 1.017 449 V CA -0.883 61.467 62.300 0.083 0.000 0.844 449 V CB 1.699 33.503 31.823 -0.032 0.000 1.011 449 V HN 0.494 nan 8.190 nan 0.000 0.429 450 D N 5.009 125.420 120.400 0.018 0.000 2.428 450 D HA 0.289 4.928 4.640 -0.002 0.000 0.221 450 D C 0.482 176.767 176.300 -0.025 0.000 1.123 450 D CA -0.214 53.775 54.000 -0.017 0.000 0.869 450 D CB 1.303 42.105 40.800 0.002 0.000 1.032 450 D HN 0.460 nan 8.370 nan 0.000 0.506 451 L N 3.718 124.900 121.223 -0.069 0.000 2.737 451 L HA 0.149 4.488 4.340 -0.002 0.000 0.236 451 L C 1.909 178.743 176.870 -0.061 0.000 1.219 451 L CA -0.103 54.727 54.840 -0.017 0.000 1.021 451 L CB 0.105 42.169 42.059 0.009 0.000 1.291 451 L HN 0.210 nan 8.230 nan 0.000 0.470 452 K N 0.470 120.790 120.400 -0.133 0.000 2.001 452 K HA -0.161 4.157 4.320 -0.002 0.000 0.208 452 K C 1.507 178.018 176.600 -0.149 0.000 1.048 452 K CA 1.134 57.270 56.287 -0.253 0.000 0.932 452 K CB 0.196 32.600 32.500 -0.160 0.000 0.715 452 K HN 0.007 nan 8.250 nan 0.000 0.437 453 E N 0.589 120.787 120.200 -0.004 0.000 2.494 453 E HA -0.026 4.322 4.350 -0.002 0.000 0.193 453 E C 0.509 177.206 176.600 0.161 0.000 1.074 453 E CA 0.575 57.028 56.400 0.089 0.000 0.867 453 E CB 0.309 30.058 29.700 0.081 0.000 0.924 453 E HN 0.030 nan 8.360 nan 0.000 0.502 454 K N -0.342 120.172 120.400 0.190 0.000 2.358 454 K HA 0.111 4.429 4.320 -0.002 0.000 0.197 454 K C -0.366 176.465 176.600 0.384 0.000 1.025 454 K CA -0.170 56.271 56.287 0.257 0.000 1.104 454 K CB 0.269 32.883 32.500 0.189 0.000 0.855 454 K HN 0.038 nan 8.250 nan 0.000 0.531 455 F N 1.405 121.395 119.950 0.066 0.000 2.467 455 F HA 0.114 4.639 4.527 -0.002 0.000 0.362 455 F C 1.177 177.171 175.800 0.323 0.000 1.090 455 F CA -0.238 57.843 58.000 0.134 0.000 1.202 455 F CB 0.827 39.872 39.000 0.075 0.000 1.113 455 F HN -0.218 nan 8.300 nan 0.000 0.541 456 S N 1.743 117.683 115.700 0.400 0.000 2.726 456 S HA 0.851 5.319 4.470 -0.002 0.000 0.308 456 S C 0.207 174.867 174.600 0.100 0.000 1.115 456 S CA 0.025 58.413 58.200 0.314 0.000 0.965 456 S CB 1.658 65.004 63.200 0.244 0.000 1.145 456 S HN 0.677 nan 8.310 nan 0.000 0.532 457 A N 0.853 123.647 122.820 -0.043 0.000 2.628 457 A HA 0.357 4.675 4.320 -0.002 0.000 0.267 457 A C -0.498 177.023 177.584 -0.106 0.000 1.159 457 A CA -0.289 51.505 52.037 -0.405 0.000 0.972 457 A CB 0.233 18.793 19.000 -0.732 0.000 1.211 457 A HN 0.737 nan 8.150 nan 0.000 0.576 458 D N 1.637 122.079 120.400 0.069 0.000 2.500 458 D HA 0.291 4.930 4.640 -0.002 0.000 0.219 458 D C 0.978 177.403 176.300 0.208 0.000 1.137 458 D CA -0.198 53.873 54.000 0.118 0.000 0.946 458 D CB 0.978 41.857 40.800 0.131 0.000 1.022 458 D HN 0.326 nan 8.370 nan 0.000 0.518 459 L N 0.521 121.822 121.223 0.131 0.000 2.131 459 L HA -0.172 4.166 4.340 -0.002 0.000 0.210 459 L C 2.137 179.156 176.870 0.249 0.000 1.092 459 L CA 0.814 55.761 54.840 0.178 0.000 0.759 459 L CB -0.411 41.703 42.059 0.091 0.000 0.903 459 L HN 0.214 nan 8.230 nan 0.000 0.435 460 D N 0.418 120.902 120.400 0.140 0.000 2.332 460 D HA -0.234 4.405 4.640 -0.002 0.000 0.209 460 D C 1.894 178.195 176.300 0.001 0.000 0.988 460 D CA 1.234 55.276 54.000 0.071 0.000 0.912 460 D CB 0.072 40.892 40.800 0.034 0.000 0.899 460 D HN 0.343 nan 8.370 nan 0.000 0.477 461 Q N -0.923 118.857 119.800 -0.034 0.000 2.320 461 Q HA 0.117 4.455 4.340 -0.002 0.000 0.201 461 Q C -0.481 174.888 176.000 -1.052 0.000 0.910 461 Q CA 0.213 55.667 55.803 -0.581 0.000 0.946 461 Q CB 0.289 28.541 28.738 -0.809 0.000 1.062 461 Q HN 0.308 nan 8.270 nan 0.000 0.503 462 F N -0.104 119.734 119.950 -0.187 0.000 2.591 462 F HA 0.315 4.841 4.527 -0.003 0.000 0.309 462 F C -1.728 174.017 175.800 -0.093 0.000 1.098 462 F CA -2.647 55.216 58.000 -0.228 0.000 0.937 462 F CB 1.165 39.806 39.000 -0.600 0.000 1.250 462 F HN -0.287 nan 8.300 nan 0.000 0.447 463 P HA -0.191 nan 4.420 nan 0.000 0.215 463 P C 1.851 179.230 177.300 0.131 0.000 1.157 463 P CA 1.458 64.607 63.100 0.081 0.000 0.874 463 P CB 0.837 32.564 31.700 0.045 0.000 0.790 464 L N -0.285 121.036 121.223 0.162 0.000 1.961 464 L HA -0.113 4.226 4.340 -0.002 0.000 0.210 464 L C 2.702 179.751 176.870 0.298 0.000 1.072 464 L CA 2.485 57.433 54.840 0.180 0.000 0.749 464 L CB -1.582 40.538 42.059 0.102 0.000 0.889 464 L HN 0.046 nan 8.230 nan 0.000 0.432 465 G N -0.630 108.358 108.800 0.313 0.000 2.505 465 G HA2 -0.339 3.619 3.960 -0.002 0.000 0.220 465 G HA3 -0.339 3.619 3.960 -0.002 0.000 0.220 465 G C 1.674 176.730 174.900 0.259 0.000 1.145 465 G CA 0.950 46.221 45.100 0.285 0.000 0.761 465 G HN 0.349 nan 8.290 nan 0.000 0.571 466 R N 0.261 120.880 120.500 0.199 0.000 2.083 466 R HA -0.072 4.267 4.340 -0.002 0.000 0.237 466 R C 2.758 179.128 176.300 0.117 0.000 1.137 466 R CA 1.782 57.958 56.100 0.127 0.000 0.951 466 R CB -0.208 30.136 30.300 0.073 0.000 0.851 466 R HN 0.348 nan 8.270 nan 0.000 0.434 467 K N -0.315 120.185 120.400 0.167 0.000 2.002 467 K HA -0.192 4.127 4.320 -0.002 0.000 0.209 467 K C 1.889 178.538 176.600 0.082 0.000 1.048 467 K CA 1.720 58.112 56.287 0.174 0.000 0.930 467 K CB -0.422 32.255 32.500 0.295 0.000 0.714 467 K HN 0.098 nan 8.250 nan 0.000 0.438 468 F N 2.042 122.025 119.950 0.055 0.000 2.087 468 F HA -0.271 4.255 4.527 -0.002 0.000 0.299 468 F C 1.734 177.315 175.800 -0.366 0.000 1.100 468 F CA 1.564 59.357 58.000 -0.345 0.000 1.226 468 F CB -0.296 38.615 39.000 -0.148 0.000 0.983 468 F HN -0.079 nan 8.300 nan 0.000 0.479 469 L N -0.748 120.397 121.223 -0.131 0.000 2.056 469 L HA -0.177 4.162 4.340 -0.002 0.000 0.207 469 L C 2.362 179.061 176.870 -0.284 0.000 1.078 469 L CA 0.809 55.560 54.840 -0.148 0.000 0.749 469 L CB -0.739 41.349 42.059 0.049 0.000 0.901 469 L HN 0.312 nan 8.230 nan 0.000 0.433 470 L N -0.448 120.650 121.223 -0.209 0.000 1.950 470 L HA -0.222 4.117 4.340 -0.002 0.000 0.210 470 L C 2.628 179.327 176.870 -0.285 0.000 1.079 470 L CA 1.753 56.478 54.840 -0.191 0.000 0.754 470 L CB -1.001 40.998 42.059 -0.099 0.000 0.889 470 L HN 0.250 nan 8.230 nan 0.000 0.433 471 Q N 0.300 119.903 119.800 -0.327 0.000 2.065 471 Q HA -0.306 4.032 4.340 -0.002 0.000 0.213 471 Q C 1.916 177.556 176.000 -0.600 0.000 1.012 471 Q CA 2.716 58.259 55.803 -0.434 0.000 0.876 471 Q CB -0.766 27.642 28.738 -0.549 0.000 0.954 471 Q HN 0.648 nan 8.270 nan 0.000 0.413 472 A N -0.021 122.246 122.820 -0.922 0.000 2.285 472 A HA 0.040 4.359 4.320 -0.002 0.000 0.214 472 A C 1.476 178.767 177.584 -0.487 0.000 1.188 472 A CA 1.952 53.457 52.037 -0.887 0.000 0.707 472 A CB -1.112 17.022 19.000 -1.443 0.000 0.771 472 A HN 0.837 nan 8.150 nan 0.000 0.488 473 G N -0.512 108.066 108.800 -0.370 0.000 2.595 473 G HA2 -0.341 3.617 3.960 -0.002 0.000 0.297 473 G HA3 -0.341 3.617 3.960 -0.002 0.000 0.297 473 G C 0.449 175.226 174.900 -0.204 0.000 1.181 473 G CA 0.695 45.655 45.100 -0.234 0.000 0.963 473 G HN 1.454 nan 8.290 nan 0.000 0.541 474 L N 0.000 121.126 121.223 -0.161 0.000 2.949 474 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 474 L CA 0.000 54.776 54.840 -0.106 0.000 0.813 474 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502