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_G 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 0.000 177.605 177.584 0.036 0.000 1.274 20 A CA 0.000 52.039 52.037 0.003 0.000 0.836 20 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 21 V N 1.817 121.689 119.914 -0.070 0.000 2.953 21 V HA 0.272 4.392 4.120 -0.000 0.000 0.304 21 V C 0.597 176.624 176.094 -0.112 0.000 1.138 21 V CA 0.586 62.818 62.300 -0.113 0.000 1.266 21 V CB 0.983 32.467 31.823 -0.565 0.000 0.923 21 V HN 0.850 nan 8.190 nan 0.000 0.505 22 V N 2.503 122.462 119.914 0.076 0.000 3.159 22 V HA 0.435 4.555 4.120 -0.000 0.000 0.308 22 V C 0.009 176.365 176.094 0.435 0.000 1.190 22 V CA -0.574 61.817 62.300 0.152 0.000 1.037 22 V CB 2.327 34.144 31.823 -0.009 0.000 1.060 22 V HN 0.942 nan 8.190 nan 0.000 0.437 23 S N 0.801 116.779 115.700 0.463 0.000 2.568 23 S HA 0.040 4.510 4.470 -0.000 0.000 0.282 23 S C 1.535 176.331 174.600 0.327 0.000 1.338 23 S CA 0.507 58.945 58.200 0.396 0.000 1.045 23 S CB 1.090 64.425 63.200 0.226 0.000 0.873 23 S HN 1.278 nan 8.310 nan 0.000 0.516 24 T N 0.913 115.596 114.554 0.215 0.000 2.977 24 T HA -0.085 4.265 4.350 -0.000 0.000 0.271 24 T C 0.836 175.365 174.700 -0.284 0.000 1.105 24 T CA 1.323 63.308 62.100 -0.191 0.000 1.116 24 T CB -0.553 68.239 68.868 -0.126 0.000 0.878 24 T HN 0.668 nan 8.240 nan 0.000 0.509 25 D N 1.369 121.739 120.400 -0.049 0.000 2.351 25 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 25 D C 1.985 178.279 176.300 -0.009 0.000 0.968 25 D CA 0.623 54.605 54.000 -0.029 0.000 0.899 25 D CB -0.114 40.700 40.800 0.022 0.000 0.907 25 D HN 0.512 nan 8.370 nan 0.000 0.514 26 E N -0.584 119.635 120.200 0.032 0.000 2.415 26 E HA -0.007 4.343 4.350 -0.000 0.000 0.197 26 E C 0.561 177.297 176.600 0.226 0.000 1.007 26 E CA 0.261 56.747 56.400 0.143 0.000 0.890 26 E CB 0.396 30.223 29.700 0.211 0.000 0.891 26 E HN 0.587 nan 8.360 nan 0.000 0.496 27 Y N -2.860 117.510 120.300 0.116 0.000 2.888 27 Y HA 0.447 4.996 4.550 -0.000 0.000 0.260 27 Y C -0.298 175.715 175.900 0.188 0.000 1.113 27 Y CA -0.604 57.581 58.100 0.142 0.000 1.237 27 Y CB 0.062 38.621 38.460 0.164 0.000 1.307 27 Y HN -0.329 nan 8.280 nan 0.000 0.580 28 V N 1.292 121.116 119.914 -0.151 0.000 2.638 28 V HA 0.476 4.596 4.120 -0.000 0.000 0.306 28 V C -0.128 175.943 176.094 -0.039 0.000 1.052 28 V CA -0.586 61.680 62.300 -0.058 0.000 0.885 28 V CB 2.001 33.729 31.823 -0.158 0.000 0.999 28 V HN 0.340 nan 8.190 nan 0.000 0.424 29 T N 5.112 119.664 114.554 -0.004 0.000 2.909 29 T HA 0.505 4.855 4.350 -0.000 0.000 0.286 29 T C 0.105 174.780 174.700 -0.041 0.000 1.002 29 T CA -0.606 61.487 62.100 -0.010 0.000 1.074 29 T CB 0.842 69.720 68.868 0.016 0.000 0.984 29 T HN 0.475 nan 8.240 nan 0.000 0.495 30 R N 1.334 121.815 120.500 -0.032 0.000 2.607 30 R HA 0.720 5.060 4.340 -0.000 0.000 0.261 30 R C 0.261 176.539 176.300 -0.037 0.000 1.051 30 R CA -0.615 55.455 56.100 -0.050 0.000 1.110 30 R CB 1.204 31.492 30.300 -0.021 0.000 1.158 30 R HN 0.860 nan 8.270 nan 0.000 0.543 31 T N -3.281 111.234 114.554 -0.065 0.000 2.841 31 T HA 0.263 4.613 4.350 -0.000 0.000 0.296 31 T C 0.133 174.828 174.700 -0.009 0.000 1.166 31 T CA -0.869 61.219 62.100 -0.020 0.000 1.007 31 T CB 1.431 70.265 68.868 -0.056 0.000 1.253 31 T HN 0.545 nan 8.240 nan 0.000 0.511 32 N N 0.313 119.072 118.700 0.099 0.000 2.410 32 N HA 0.182 4.922 4.740 -0.000 0.000 0.231 32 N C -0.417 175.252 175.510 0.266 0.000 1.172 32 N CA -0.217 52.975 53.050 0.237 0.000 0.849 32 N CB -0.061 38.564 38.487 0.230 0.000 1.116 32 N HN 0.435 nan 8.380 nan 0.000 0.485 33 I N 1.820 122.420 120.570 0.050 0.000 2.330 33 I HA 0.242 4.412 4.170 -0.000 0.000 0.286 33 I C -0.676 175.486 176.117 0.076 0.000 1.025 33 I CA -0.626 60.759 61.300 0.142 0.000 1.197 33 I CB -0.671 37.386 38.000 0.095 0.000 1.358 33 I HN -0.046 nan 8.210 nan 0.000 0.467 34 Y N 5.812 126.286 120.300 0.291 0.000 2.524 34 Y HA 0.667 5.217 4.550 -0.000 0.000 0.344 34 Y C -0.572 175.484 175.900 0.260 0.000 1.012 34 Y CA -0.967 57.257 58.100 0.206 0.000 1.068 34 Y CB 1.808 40.208 38.460 -0.100 0.000 1.249 34 Y HN 0.316 nan 8.280 nan 0.000 0.468 35 Y N 0.318 120.626 120.300 0.014 0.000 2.534 35 Y HA 0.303 4.853 4.550 -0.000 0.000 0.345 35 Y C -0.298 175.364 175.900 -0.396 0.000 1.031 35 Y CA -1.425 56.599 58.100 -0.128 0.000 1.022 35 Y CB 1.636 39.984 38.460 -0.187 0.000 1.292 35 Y HN 0.635 nan 8.280 nan 0.000 0.459 36 H N 1.716 120.555 119.070 -0.385 0.000 2.496 36 H HA 0.885 5.440 4.556 -0.000 0.000 0.342 36 H C -1.501 173.383 175.328 -0.740 0.000 1.170 36 H CA -0.290 55.385 56.048 -0.621 0.000 1.274 36 H CB 1.675 30.922 29.762 -0.858 0.000 1.538 36 H HN 0.816 nan 8.280 nan 0.000 0.542 37 A N 2.125 124.185 122.820 -1.266 0.000 2.517 37 A HA 0.600 4.920 4.320 -0.000 0.000 0.297 37 A C -0.969 176.238 177.584 -0.628 0.000 1.050 37 A CA 0.000 51.623 52.037 -0.690 0.000 0.694 37 A CB 1.598 20.302 19.000 -0.494 0.000 1.277 37 A HN 0.893 nan 8.150 nan 0.000 0.400 38 G N 0.546 109.239 108.800 -0.177 0.000 2.733 38 G HA2 0.657 4.617 3.960 -0.000 0.000 0.297 38 G HA3 0.657 4.617 3.960 -0.000 0.000 0.297 38 G C -0.257 174.653 174.900 0.016 0.000 1.422 38 G CA 0.199 45.230 45.100 -0.115 0.000 0.942 38 G HN 1.536 nan 8.290 nan 0.000 0.510 39 S N 0.115 115.802 115.700 -0.021 0.000 2.600 39 S HA 0.654 5.124 4.470 -0.000 0.000 0.265 39 S C 1.012 175.622 174.600 0.016 0.000 1.325 39 S CA 0.157 58.367 58.200 0.016 0.000 1.002 39 S CB 1.306 64.479 63.200 -0.044 0.000 0.921 39 S HN 1.623 nan 8.310 nan 0.000 0.554 40 S N 0.342 116.074 115.700 0.054 0.000 2.686 40 S HA 0.363 4.833 4.470 -0.000 0.000 0.270 40 S C 0.178 174.806 174.600 0.046 0.000 1.194 40 S CA -1.030 57.206 58.200 0.060 0.000 0.990 40 S CB 0.290 63.540 63.200 0.083 0.000 1.029 40 S HN 0.941 nan 8.310 nan 0.000 0.560 41 R N 0.019 120.549 120.500 0.051 0.000 2.570 41 R HA 0.202 4.542 4.340 -0.000 0.000 0.277 41 R C -1.041 175.329 176.300 0.115 0.000 1.039 41 R CA -0.028 56.102 56.100 0.051 0.000 1.065 41 R CB -0.267 30.060 30.300 0.046 0.000 0.964 41 R HN 0.686 nan 8.270 nan 0.000 0.428 42 L N 6.648 127.955 121.223 0.139 0.000 2.277 42 L HA 0.360 4.700 4.340 -0.000 0.000 0.284 42 L C -0.447 176.681 176.870 0.430 0.000 1.028 42 L CA -0.480 54.562 54.840 0.336 0.000 0.835 42 L CB 1.108 43.255 42.059 0.147 0.000 1.215 42 L HN 0.541 nan 8.230 nan 0.000 0.425 43 L N 3.147 124.616 121.223 0.409 0.000 2.344 43 L HA 0.892 5.232 4.340 -0.000 0.000 0.272 43 L C 0.028 177.107 176.870 0.349 0.000 1.035 43 L CA -0.533 54.496 54.840 0.315 0.000 0.807 43 L CB 1.933 44.097 42.059 0.175 0.000 1.237 43 L HN 0.667 nan 8.230 nan 0.000 0.442 44 A N 2.485 125.476 122.820 0.284 0.000 2.465 44 A HA 0.731 5.051 4.320 -0.000 0.000 0.292 44 A C -1.431 176.224 177.584 0.118 0.000 1.041 44 A CA -0.404 51.737 52.037 0.173 0.000 0.718 44 A CB 1.680 20.835 19.000 0.258 0.000 1.266 44 A HN 0.336 nan 8.150 nan 0.000 0.403 45 V N 1.889 121.843 119.914 0.067 0.000 2.588 45 V HA 0.911 5.031 4.120 -0.000 0.000 0.304 45 V C 0.637 176.761 176.094 0.049 0.000 1.042 45 V CA 0.503 62.842 62.300 0.064 0.000 0.877 45 V CB 1.596 33.450 31.823 0.053 0.000 0.996 45 V HN 1.592 nan 8.190 nan 0.000 0.425 46 G N 2.119 110.953 108.800 0.058 0.000 2.677 46 G HA2 0.346 4.306 3.960 -0.000 0.000 0.283 46 G HA3 0.346 4.306 3.960 -0.000 0.000 0.283 46 G C -1.488 173.448 174.900 0.060 0.000 1.221 46 G CA -0.472 44.667 45.100 0.066 0.000 0.851 46 G HN 0.617 nan 8.290 nan 0.000 0.504 47 H N 1.655 120.713 119.070 -0.019 0.000 2.473 47 H HA 0.392 4.948 4.556 -0.000 0.000 0.327 47 H C -1.533 173.721 175.328 -0.122 0.000 1.105 47 H CA -1.654 54.325 56.048 -0.116 0.000 1.280 47 H CB 2.724 32.396 29.762 -0.150 0.000 1.450 47 H HN 0.121 nan 8.280 nan 0.000 0.492 48 P HA -0.052 nan 4.420 nan 0.000 0.231 48 P C 0.488 177.887 177.300 0.165 0.000 1.168 48 P CA 1.114 64.159 63.100 -0.093 0.000 0.779 48 P CB 0.290 31.781 31.700 -0.348 0.000 0.844 49 Y N -0.825 119.598 120.300 0.205 0.000 2.539 49 Y HA 0.148 4.698 4.550 -0.000 0.000 0.284 49 Y C 0.923 176.868 175.900 0.075 0.000 1.134 49 Y CA -0.675 57.461 58.100 0.059 0.000 1.251 49 Y CB 0.213 38.640 38.460 -0.054 0.000 1.260 49 Y HN -0.118 nan 8.280 nan 0.000 0.528 50 Y N -1.401 119.009 120.300 0.183 0.000 2.581 50 Y HA 0.816 5.366 4.550 -0.000 0.000 0.337 50 Y C -0.653 175.210 175.900 -0.063 0.000 1.108 50 Y CA -2.804 55.302 58.100 0.010 0.000 1.033 50 Y CB 0.300 38.721 38.460 -0.064 0.000 1.318 50 Y HN -0.074 nan 8.280 nan 0.000 0.459 51 A N 2.129 125.109 122.820 0.266 0.000 2.346 51 A HA 0.682 5.002 4.320 -0.000 0.000 0.252 51 A C -0.662 177.033 177.584 0.185 0.000 1.089 51 A CA -0.421 51.724 52.037 0.180 0.000 0.797 51 A CB -0.068 18.994 19.000 0.104 0.000 1.047 51 A HN 0.699 nan 8.150 nan 0.000 0.494 52 I N 1.158 121.809 120.570 0.134 0.000 2.448 52 I HA 0.260 4.429 4.170 -0.000 0.000 0.281 52 I C 0.220 176.376 176.117 0.064 0.000 1.027 52 I CA -0.380 60.987 61.300 0.112 0.000 1.111 52 I CB 1.489 39.579 38.000 0.151 0.000 1.236 52 I HN 0.829 nan 8.210 nan 0.000 0.452 53 K N 4.459 124.877 120.400 0.030 0.000 2.267 53 K HA 0.615 4.935 4.320 -0.000 0.000 0.236 53 K C -0.133 176.476 176.600 0.014 0.000 1.030 53 K CA -1.100 55.197 56.287 0.017 0.000 0.930 53 K CB 0.948 33.449 32.500 0.002 0.000 1.182 53 K HN 0.079 nan 8.250 nan 0.000 0.474 54 K N 0.417 120.822 120.400 0.008 0.000 2.344 54 K HA -0.117 4.203 4.320 -0.000 0.000 0.260 54 K C 0.921 177.523 176.600 0.003 0.000 0.988 54 K CA 0.630 56.921 56.287 0.008 0.000 0.909 54 K CB 0.680 33.182 32.500 0.004 0.000 0.968 54 K HN 0.728 nan 8.250 nan 0.000 0.505 55 Q N 0.919 120.722 119.800 0.005 0.000 2.123 55 Q HA -0.077 4.263 4.340 -0.000 0.000 0.199 55 Q C 0.443 176.439 176.000 -0.006 0.000 0.966 55 Q CA 1.947 57.751 55.803 0.001 0.000 0.845 55 Q CB 0.211 28.953 28.738 0.007 0.000 0.907 55 Q HN 0.734 nan 8.270 nan 0.000 0.439 56 D N -1.131 119.267 120.400 -0.004 0.000 2.805 56 D HA 0.025 4.665 4.640 -0.000 0.000 0.271 56 D C 0.499 176.794 176.300 -0.008 0.000 1.166 56 D CA 0.415 54.410 54.000 -0.007 0.000 1.004 56 D CB -0.657 40.140 40.800 -0.005 0.000 1.136 56 D HN 0.137 nan 8.370 nan 0.000 0.444 57 S N 1.210 116.906 115.700 -0.006 0.000 2.564 57 S HA -0.070 4.400 4.470 -0.000 0.000 0.263 57 S C 0.744 175.339 174.600 -0.009 0.000 1.378 57 S CA -0.033 58.163 58.200 -0.007 0.000 0.996 57 S CB 0.194 63.391 63.200 -0.005 0.000 0.881 57 S HN 0.323 nan 8.310 nan 0.000 0.555 58 N N 1.302 119.997 118.700 -0.009 0.000 2.401 58 N HA 0.119 4.859 4.740 -0.000 0.000 0.264 58 N C -0.725 174.780 175.510 -0.008 0.000 1.238 58 N CA -0.425 52.619 53.050 -0.011 0.000 0.889 58 N CB 0.123 38.602 38.487 -0.013 0.000 1.196 58 N HN 0.519 nan 8.380 nan 0.000 0.511 59 K N 1.599 121.996 120.400 -0.006 0.000 2.240 59 K HA 0.243 4.563 4.320 -0.000 0.000 0.271 59 K C 0.068 176.668 176.600 -0.001 0.000 1.018 59 K CA -0.659 55.625 56.287 -0.005 0.000 0.874 59 K CB 0.912 33.409 32.500 -0.006 0.000 1.098 59 K HN -0.105 nan 8.250 nan 0.000 0.458 60 I N 4.351 124.921 120.570 -0.000 0.000 2.919 60 I HA -0.166 4.004 4.170 -0.000 0.000 0.299 60 I C 1.038 177.160 176.117 0.008 0.000 1.221 60 I CA 0.717 62.021 61.300 0.007 0.000 1.424 60 I CB -0.276 37.726 38.000 0.004 0.000 1.358 60 I HN 0.898 nan 8.210 nan 0.000 0.551 61 A N 7.418 130.249 122.820 0.019 0.000 1.983 61 A HA 0.280 4.600 4.320 -0.000 0.000 0.207 61 A C 0.631 178.228 177.584 0.021 0.000 1.412 61 A CA 0.259 52.306 52.037 0.017 0.000 0.750 61 A CB 0.126 19.140 19.000 0.024 0.000 1.047 61 A HN 0.435 nan 8.150 nan 0.000 0.504 62 V N 2.671 122.610 119.914 0.041 0.000 2.398 62 V HA 0.368 4.488 4.120 -0.000 0.000 0.286 62 V C -2.244 173.888 176.094 0.063 0.000 1.026 62 V CA -1.771 60.560 62.300 0.052 0.000 0.868 62 V CB 1.486 33.359 31.823 0.083 0.000 0.982 62 V HN 0.426 nan 8.190 nan 0.000 0.443 63 P HA 0.251 nan 4.420 nan 0.000 0.289 63 P C -1.169 176.181 177.300 0.083 0.000 1.299 63 P CA -0.729 62.399 63.100 0.046 0.000 0.766 63 P CB 1.344 33.049 31.700 0.008 0.000 1.226 64 K N 0.430 120.880 120.400 0.085 0.000 2.464 64 K HA 0.411 4.731 4.320 -0.000 0.000 0.252 64 K C -1.523 175.129 176.600 0.088 0.000 1.000 64 K CA -0.629 55.726 56.287 0.114 0.000 0.951 64 K CB 0.507 33.086 32.500 0.131 0.000 1.183 64 K HN 0.123 nan 8.250 nan 0.000 0.445 65 V N 2.964 122.921 119.914 0.073 0.000 2.357 65 V HA 0.400 4.519 4.120 -0.000 0.000 0.284 65 V C -0.366 175.717 176.094 -0.019 0.000 1.018 65 V CA -0.610 61.709 62.300 0.030 0.000 0.841 65 V CB 1.093 32.927 31.823 0.019 0.000 0.991 65 V HN 0.807 nan 8.190 nan 0.000 0.437 66 S N 3.070 118.751 115.700 -0.032 0.000 2.595 66 S HA 0.680 5.150 4.470 -0.000 0.000 0.281 66 S C 1.008 175.592 174.600 -0.026 0.000 1.117 66 S CA 0.192 58.412 58.200 0.032 0.000 0.873 66 S CB 2.024 65.332 63.200 0.179 0.000 1.108 66 S HN 0.869 nan 8.310 nan 0.000 0.477 67 G N 0.991 109.884 108.800 0.154 0.000 2.623 67 G HA2 0.140 4.100 3.960 -0.000 0.000 0.214 67 G HA3 0.140 4.100 3.960 -0.000 0.000 0.214 67 G C 0.469 175.481 174.900 0.186 0.000 1.138 67 G CA 0.196 45.423 45.100 0.211 0.000 0.794 67 G HN 0.566 nan 8.290 nan 0.000 0.535 68 L N 0.896 122.239 121.223 0.201 0.000 2.888 68 L HA 0.353 4.693 4.340 -0.000 0.000 0.237 68 L C 0.535 177.471 176.870 0.110 0.000 1.288 68 L CA 0.111 55.053 54.840 0.170 0.000 1.110 68 L CB 0.046 42.266 42.059 0.269 0.000 1.441 68 L HN 0.144 nan 8.230 nan 0.000 0.474 69 Q N -1.526 118.323 119.800 0.081 0.000 2.416 69 Q HA 0.479 4.819 4.340 -0.000 0.000 0.279 69 Q C -1.343 174.689 176.000 0.053 0.000 1.101 69 Q CA -0.942 54.923 55.803 0.104 0.000 0.830 69 Q CB 2.134 30.950 28.738 0.131 0.000 1.402 69 Q HN 0.008 nan 8.270 nan 0.000 0.445 70 Y N 0.314 120.647 120.300 0.055 0.000 2.320 70 Y HA 0.332 4.882 4.550 -0.000 0.000 0.324 70 Y C 0.080 175.944 175.900 -0.060 0.000 1.190 70 Y CA -0.475 57.637 58.100 0.020 0.000 1.215 70 Y CB 1.006 39.474 38.460 0.013 0.000 1.221 70 Y HN 0.173 nan 8.280 nan 0.000 0.486 71 R N 2.473 122.961 120.500 -0.019 0.000 2.272 71 R HA 0.381 4.721 4.340 -0.000 0.000 0.323 71 R C -1.596 174.383 176.300 -0.535 0.000 1.002 71 R CA -0.709 55.136 56.100 -0.424 0.000 0.900 71 R CB 0.645 30.589 30.300 -0.594 0.000 1.151 71 R HN 0.410 nan 8.270 nan 0.000 0.507 72 V N 5.748 125.415 119.914 -0.411 0.000 2.277 72 V HA 0.348 4.468 4.120 -0.000 0.000 0.269 72 V C -0.070 175.819 176.094 -0.341 0.000 1.036 72 V CA -0.699 61.482 62.300 -0.198 0.000 0.821 72 V CB 0.195 32.074 31.823 0.094 0.000 1.052 72 V HN 0.418 nan 8.190 nan 0.000 0.462 73 F N 3.437 123.349 119.950 -0.064 0.000 2.467 73 F HA 0.446 4.972 4.527 -0.000 0.000 0.362 73 F C 0.913 176.496 175.800 -0.361 0.000 1.090 73 F CA -0.257 57.653 58.000 -0.150 0.000 1.202 73 F CB 0.569 39.433 39.000 -0.227 0.000 1.113 73 F HN 0.309 nan 8.300 nan 0.000 0.541 74 R N 3.192 123.603 120.500 -0.148 0.000 2.247 74 R HA 0.463 4.803 4.340 -0.000 0.000 0.329 74 R C -1.526 174.626 176.300 -0.245 0.000 1.014 74 R CA -0.438 55.339 56.100 -0.540 0.000 0.907 74 R CB 0.677 30.825 30.300 -0.252 0.000 1.146 74 R HN 0.559 nan 8.270 nan 0.000 0.499 75 V N 6.041 125.759 119.914 -0.327 0.000 2.356 75 V HA 0.138 4.258 4.120 -0.000 0.000 0.258 75 V C 0.297 176.275 176.094 -0.192 0.000 1.065 75 V CA -0.385 61.795 62.300 -0.200 0.000 0.935 75 V CB 0.717 32.352 31.823 -0.313 0.000 1.061 75 V HN 0.526 nan 8.190 nan 0.000 0.484 76 K N 5.508 125.850 120.400 -0.097 0.000 2.339 76 K HA 0.474 4.794 4.320 -0.000 0.000 0.286 76 K C -0.480 176.045 176.600 -0.127 0.000 1.050 76 K CA 0.007 56.243 56.287 -0.086 0.000 0.956 76 K CB 1.197 33.681 32.500 -0.028 0.000 0.990 76 K HN 0.531 nan 8.250 nan 0.000 0.475 77 L N 5.156 126.266 121.223 -0.188 0.000 2.331 77 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 77 L C -1.907 174.764 176.870 -0.331 0.000 1.022 77 L CA -2.340 52.291 54.840 -0.348 0.000 0.812 77 L CB 1.549 43.318 42.059 -0.484 0.000 1.257 77 L HN 0.389 nan 8.230 nan 0.000 0.435 78 P HA -0.081 nan 4.420 nan 0.000 0.267 78 P C -1.017 176.152 177.300 -0.219 0.000 1.200 78 P CA -0.107 62.758 63.100 -0.392 0.000 0.772 78 P CB 0.814 32.080 31.700 -0.723 0.000 0.855 79 D N 3.653 123.994 120.400 -0.098 0.000 2.339 79 D HA 0.055 4.694 4.640 -0.000 0.000 0.256 79 D C -1.194 175.048 176.300 -0.097 0.000 1.214 79 D CA -2.030 51.935 54.000 -0.059 0.000 0.877 79 D CB 0.752 41.567 40.800 0.026 0.000 1.111 79 D HN 0.186 nan 8.370 nan 0.000 0.478 80 P HA -0.119 nan 4.420 nan 0.000 0.226 80 P C 0.759 178.058 177.300 -0.002 0.000 1.146 80 P CA 0.635 63.578 63.100 -0.262 0.000 0.773 80 P CB 0.443 31.608 31.700 -0.893 0.000 0.772 81 N N 0.489 119.171 118.700 -0.029 0.000 2.216 81 N HA -0.070 4.670 4.740 -0.000 0.000 0.183 81 N C 1.597 177.157 175.510 0.083 0.000 1.017 81 N CA 1.092 54.152 53.050 0.016 0.000 0.861 81 N CB -0.122 38.345 38.487 -0.033 0.000 0.986 81 N HN 0.316 nan 8.380 nan 0.000 0.428 82 K N -0.226 120.234 120.400 0.100 0.000 2.116 82 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 82 K C 0.486 177.160 176.600 0.123 0.000 1.052 82 K CA 0.109 56.456 56.287 0.100 0.000 0.952 82 K CB -0.040 32.521 32.500 0.102 0.000 0.729 82 K HN -0.049 nan 8.250 nan 0.000 0.446 83 F N 1.141 121.033 119.950 -0.097 0.000 2.589 83 F HA 0.133 4.660 4.527 -0.000 0.000 0.352 83 F C 1.105 176.669 175.800 -0.392 0.000 1.168 83 F CA 0.129 57.973 58.000 -0.259 0.000 1.353 83 F CB 0.525 39.381 39.000 -0.240 0.000 1.116 83 F HN -0.050 nan 8.300 nan 0.000 0.608 84 G N 2.832 111.289 108.800 -0.573 0.000 2.513 84 G HA2 0.608 4.568 3.960 -0.000 0.000 0.317 84 G HA3 0.608 4.568 3.960 -0.000 0.000 0.317 84 G C -1.930 172.581 174.900 -0.648 0.000 1.277 84 G CA -0.451 44.412 45.100 -0.395 0.000 0.955 84 G HN 0.368 nan 8.290 nan 0.000 0.484 85 F N 1.358 121.314 119.950 0.010 0.000 2.577 85 F HA 0.525 5.052 4.527 -0.000 0.000 0.318 85 F C -1.154 174.641 175.800 -0.008 0.000 1.065 85 F CA -1.926 56.088 58.000 0.023 0.000 0.929 85 F CB 2.651 41.648 39.000 -0.005 0.000 1.237 85 F HN 0.337 nan 8.300 nan 0.000 0.468 86 P HA -0.028 nan 4.420 nan 0.000 0.220 86 P C 0.628 177.941 177.300 0.022 0.000 1.154 86 P CA 1.094 64.249 63.100 0.091 0.000 0.837 86 P CB 0.359 32.123 31.700 0.106 0.000 0.815 87 D N 0.623 121.048 120.400 0.042 0.000 2.349 87 D HA -0.034 4.606 4.640 -0.000 0.000 0.224 87 D C 0.056 176.094 176.300 -0.437 0.000 1.029 87 D CA 0.474 54.428 54.000 -0.076 0.000 0.879 87 D CB -0.408 40.452 40.800 0.101 0.000 0.906 87 D HN 0.117 nan 8.370 nan 0.000 0.528 88 T N -1.590 112.786 114.554 -0.295 0.000 3.477 88 T HA 0.319 4.669 4.350 -0.000 0.000 0.347 88 T C 0.881 175.442 174.700 -0.231 0.000 1.567 88 T CA -0.252 61.657 62.100 -0.318 0.000 1.169 88 T CB 0.533 69.263 68.868 -0.229 0.000 1.196 88 T HN -0.018 nan 8.240 nan 0.000 0.768 89 S N 0.824 116.169 115.700 -0.592 0.000 2.631 89 S HA 0.185 4.654 4.470 -0.000 0.000 0.246 89 S C 0.577 175.046 174.600 -0.219 0.000 1.068 89 S CA -0.717 57.316 58.200 -0.279 0.000 0.995 89 S CB -0.445 62.641 63.200 -0.190 0.000 0.944 89 S HN 0.598 nan 8.310 nan 0.000 0.529 90 F N 1.483 121.499 119.950 0.110 0.000 2.986 90 F HA 0.681 5.208 4.527 -0.000 0.000 0.297 90 F C -0.375 175.509 175.800 0.140 0.000 1.210 90 F CA -2.130 55.923 58.000 0.089 0.000 1.346 90 F CB -0.826 38.213 39.000 0.064 0.000 1.007 90 F HN 0.227 nan 8.300 nan 0.000 0.512 91 Y N 0.844 121.120 120.300 -0.040 0.000 2.386 91 Y HA 0.545 5.095 4.550 -0.000 0.000 0.334 91 Y C -1.763 174.115 175.900 -0.036 0.000 1.002 91 Y CA -1.884 56.201 58.100 -0.024 0.000 1.068 91 Y CB 1.448 39.851 38.460 -0.095 0.000 1.203 91 Y HN 0.153 nan 8.280 nan 0.000 0.443 92 D N 8.585 128.656 120.400 -0.550 0.000 2.412 92 D HA 0.374 5.014 4.640 -0.000 0.000 0.224 92 D C -2.084 173.733 176.300 -0.805 0.000 1.093 92 D CA -2.612 51.065 54.000 -0.539 0.000 0.850 92 D CB 1.867 42.521 40.800 -0.244 0.000 1.046 92 D HN 0.386 nan 8.370 nan 0.000 0.507 93 P HA 0.014 nan 4.420 nan 0.000 0.245 93 P C 0.802 177.934 177.300 -0.281 0.000 1.212 93 P CA 0.202 62.963 63.100 -0.565 0.000 0.774 93 P CB 0.455 31.966 31.700 -0.315 0.000 0.999 94 A N 1.435 124.112 122.820 -0.238 0.000 1.872 94 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 94 A C 2.239 179.757 177.584 -0.111 0.000 1.187 94 A CA 2.259 54.214 52.037 -0.137 0.000 0.614 94 A CB -0.971 17.964 19.000 -0.108 0.000 0.826 94 A HN 0.391 nan 8.150 nan 0.000 0.442 95 S N -2.103 113.521 115.700 -0.126 0.000 2.559 95 S HA 0.263 4.733 4.470 -0.000 0.000 0.226 95 S C 0.546 175.101 174.600 -0.074 0.000 1.030 95 S CA -0.501 57.654 58.200 -0.076 0.000 0.956 95 S CB 0.076 63.247 63.200 -0.048 0.000 0.900 95 S HN 0.578 nan 8.310 nan 0.000 0.510 96 Q N 0.548 120.267 119.800 -0.135 0.000 2.297 96 Q HA 0.653 4.993 4.340 -0.000 0.000 0.268 96 Q C -0.686 175.266 176.000 -0.081 0.000 1.045 96 Q CA -1.008 54.765 55.803 -0.050 0.000 0.861 96 Q CB 1.362 30.131 28.738 0.051 0.000 1.344 96 Q HN 0.053 nan 8.270 nan 0.000 0.452 97 R N 0.343 120.750 120.500 -0.155 0.000 2.885 97 R HA 0.655 4.995 4.340 -0.000 0.000 0.260 97 R C -1.160 174.912 176.300 -0.381 0.000 1.107 97 R CA -0.839 54.981 56.100 -0.467 0.000 0.978 97 R CB 1.115 30.583 30.300 -1.387 0.000 1.227 97 R HN 0.554 nan 8.270 nan 0.000 0.473 98 L N 0.463 121.395 121.223 -0.486 0.000 2.381 98 L HA 0.731 5.071 4.340 -0.000 0.000 0.268 98 L C -0.567 176.200 176.870 -0.171 0.000 0.997 98 L CA -1.066 53.561 54.840 -0.355 0.000 0.818 98 L CB 2.224 43.974 42.059 -0.515 0.000 1.310 98 L HN 0.151 nan 8.230 nan 0.000 0.416 99 V N -0.768 119.021 119.914 -0.209 0.000 3.040 99 V HA 0.430 4.550 4.120 -0.000 0.000 0.312 99 V C -1.352 174.537 176.094 -0.342 0.000 1.115 99 V CA -0.846 61.348 62.300 -0.176 0.000 0.998 99 V CB 2.266 34.016 31.823 -0.121 0.000 1.042 99 V HN 0.658 nan 8.190 nan 0.000 0.433 100 W N 1.286 122.444 121.300 -0.237 0.000 2.361 100 W HA 0.718 5.378 4.660 -0.000 0.000 0.309 100 W C 0.176 176.580 176.519 -0.191 0.000 1.122 100 W CA -0.389 56.795 57.345 -0.268 0.000 1.208 100 W CB 1.603 30.776 29.460 -0.479 0.000 1.246 100 W HN 0.748 nan 8.180 nan 0.000 0.490 101 A N 3.669 126.599 122.820 0.183 0.000 2.304 101 A HA 0.477 4.797 4.320 -0.000 0.000 0.323 101 A C -0.622 177.120 177.584 0.263 0.000 1.195 101 A CA -0.607 51.470 52.037 0.067 0.000 0.826 101 A CB 0.606 19.578 19.000 -0.047 0.000 1.184 101 A HN 0.764 nan 8.150 nan 0.000 0.496 102 C N 2.259 121.710 119.300 0.251 0.000 2.644 102 C HA 0.541 5.001 4.460 -0.000 0.000 0.417 102 C C 1.425 176.427 174.990 0.020 0.000 1.304 102 C CA 0.780 59.895 59.018 0.162 0.000 2.035 102 C CB -0.306 27.479 27.740 0.076 0.000 2.673 102 C HN 0.903 nan 8.230 nan 0.000 0.602 103 T N 3.074 117.622 114.554 -0.009 0.000 3.125 103 T HA 0.377 4.727 4.350 -0.000 0.000 0.252 103 T C 0.534 175.384 174.700 0.251 0.000 0.981 103 T CA 0.620 62.807 62.100 0.145 0.000 1.069 103 T CB 0.291 69.309 68.868 0.251 0.000 1.091 103 T HN 0.944 nan 8.240 nan 0.000 0.460 104 G N 0.545 109.405 108.800 0.099 0.000 2.690 104 G HA2 0.608 4.568 3.960 -0.000 0.000 0.293 104 G HA3 0.608 4.568 3.960 -0.000 0.000 0.293 104 G C -1.982 172.728 174.900 -0.316 0.000 1.399 104 G CA -0.460 44.614 45.100 -0.043 0.000 0.890 104 G HN 0.177 nan 8.290 nan 0.000 0.485 105 V N 0.503 120.161 119.914 -0.427 0.000 2.760 105 V HA 0.648 4.768 4.120 -0.000 0.000 0.309 105 V C -0.971 174.791 176.094 -0.554 0.000 1.077 105 V CA -0.831 61.254 62.300 -0.358 0.000 0.910 105 V CB 2.084 33.891 31.823 -0.025 0.000 1.008 105 V HN 0.741 nan 8.190 nan 0.000 0.424 106 E N 2.555 122.372 120.200 -0.638 0.000 2.265 106 E HA 0.456 4.806 4.350 -0.000 0.000 0.262 106 E C -1.729 174.575 176.600 -0.494 0.000 0.889 106 E CA -0.346 55.669 56.400 -0.641 0.000 0.789 106 E CB 2.367 31.729 29.700 -0.563 0.000 1.221 106 E HN 0.455 nan 8.360 nan 0.000 0.414 107 V N 3.602 123.302 119.914 -0.357 0.000 2.240 107 V HA 0.332 4.452 4.120 -0.000 0.000 0.265 107 V C 0.721 176.692 176.094 -0.205 0.000 1.073 107 V CA -0.604 61.559 62.300 -0.229 0.000 0.857 107 V CB 0.983 32.765 31.823 -0.069 0.000 1.114 107 V HN 0.647 nan 8.190 nan 0.000 0.469 108 G N 4.860 113.520 108.800 -0.234 0.000 2.378 108 G HA2 0.437 4.397 3.960 -0.000 0.000 0.255 108 G HA3 0.437 4.397 3.960 -0.000 0.000 0.255 108 G C -0.117 174.651 174.900 -0.221 0.000 1.270 108 G CA -0.412 44.576 45.100 -0.188 0.000 0.876 108 G HN 0.457 nan 8.290 nan 0.000 0.521 109 R N 1.093 121.475 120.500 -0.196 0.000 2.599 109 R HA 0.624 4.964 4.340 -0.000 0.000 0.295 109 R C 0.105 176.292 176.300 -0.187 0.000 0.963 109 R CA -0.584 55.332 56.100 -0.308 0.000 0.883 109 R CB 2.091 32.246 30.300 -0.242 0.000 1.171 109 R HN 0.654 nan 8.270 nan 0.000 0.450 110 G N 0.777 109.455 108.800 -0.203 0.000 2.569 110 G HA2 0.588 4.547 3.960 -0.000 0.000 0.300 110 G HA3 0.588 4.547 3.960 -0.000 0.000 0.300 110 G C -1.154 173.698 174.900 -0.079 0.000 1.269 110 G CA -0.298 44.737 45.100 -0.108 0.000 0.959 110 G HN 0.395 nan 8.290 nan 0.000 0.478 111 Q N -1.540 118.239 119.800 -0.035 0.000 1.603 111 Q HA -0.120 4.220 4.340 -0.000 0.000 0.059 111 Q C -2.769 173.230 176.000 -0.003 0.000 1.273 111 Q CA -0.260 55.538 55.803 -0.008 0.000 0.200 111 Q CB -1.437 27.307 28.738 0.009 0.000 4.956 111 Q HN 0.680 nan 8.270 nan 0.000 0.295 112 P HA 0.352 nan 4.420 nan 0.000 0.278 112 P C -0.371 176.940 177.300 0.018 0.000 1.238 112 P CA -0.563 62.542 63.100 0.007 0.000 0.794 112 P CB 0.475 32.175 31.700 0.001 0.000 0.955 113 L N 1.925 123.162 121.223 0.024 0.000 2.490 113 L HA 0.466 4.806 4.340 -0.000 0.000 0.274 113 L C 1.333 178.217 176.870 0.024 0.000 1.201 113 L CA 1.671 56.532 54.840 0.035 0.000 0.869 113 L CB -0.515 41.565 42.059 0.035 0.000 1.123 113 L HN 0.815 nan 8.230 nan 0.000 0.484 114 G N 1.663 110.479 108.800 0.027 0.000 2.356 114 G HA2 0.552 4.512 3.960 -0.000 0.000 0.294 114 G HA3 0.552 4.512 3.960 -0.000 0.000 0.294 114 G C -1.714 173.198 174.900 0.020 0.000 1.423 114 G CA -0.082 45.026 45.100 0.013 0.000 0.806 114 G HN 0.690 nan 8.290 nan 0.000 0.527 115 V N -1.314 118.606 119.914 0.011 0.000 2.769 115 V HA 1.004 5.124 4.120 -0.000 0.000 0.312 115 V C 0.675 176.763 176.094 -0.009 0.000 1.061 115 V CA 0.197 62.510 62.300 0.022 0.000 0.931 115 V CB 1.420 33.267 31.823 0.040 0.000 1.010 115 V HN 1.710 nan 8.190 nan 0.000 0.433 116 G N 2.097 110.899 108.800 0.003 0.000 2.525 116 G HA2 0.709 4.669 3.960 -0.000 0.000 0.287 116 G HA3 0.709 4.669 3.960 -0.000 0.000 0.287 116 G C -0.685 174.192 174.900 -0.039 0.000 1.350 116 G CA -0.353 44.734 45.100 -0.021 0.000 1.039 116 G HN 1.620 nan 8.290 nan 0.000 0.513 117 I N -0.729 119.814 120.570 -0.044 0.000 2.690 117 I HA 0.367 4.536 4.170 -0.000 0.000 0.286 117 I C -0.985 175.065 176.117 -0.112 0.000 1.313 117 I CA -0.440 60.802 61.300 -0.096 0.000 1.070 117 I CB 1.305 39.280 38.000 -0.042 0.000 1.323 117 I HN 0.444 nan 8.210 nan 0.000 0.432 118 S N 4.718 120.200 115.700 -0.365 0.000 2.593 118 S HA 0.988 5.458 4.470 -0.000 0.000 0.297 118 S C -0.037 174.360 174.600 -0.338 0.000 1.112 118 S CA -0.519 57.413 58.200 -0.446 0.000 1.043 118 S CB 1.898 64.721 63.200 -0.627 0.000 1.054 118 S HN 0.912 nan 8.310 nan 0.000 0.516 119 G N 0.311 108.890 108.800 -0.369 0.000 2.708 119 G HA2 0.596 4.556 3.960 -0.000 0.000 0.289 119 G HA3 0.596 4.556 3.960 -0.000 0.000 0.289 119 G C -2.069 172.738 174.900 -0.154 0.000 1.416 119 G CA -0.472 44.514 45.100 -0.189 0.000 0.829 119 G HN 0.668 nan 8.290 nan 0.000 0.480 120 H N 0.611 119.608 119.070 -0.122 0.000 2.877 120 H HA 0.383 4.939 4.556 -0.000 0.000 0.347 120 H C -2.255 173.039 175.328 -0.056 0.000 1.042 120 H CA -1.456 54.536 56.048 -0.093 0.000 1.276 120 H CB 3.001 32.706 29.762 -0.095 0.000 1.681 120 H HN 0.151 nan 8.280 nan 0.000 0.521 121 P HA -0.076 nan 4.420 nan 0.000 0.215 121 P C 0.727 178.145 177.300 0.198 0.000 1.153 121 P CA 1.208 64.320 63.100 0.019 0.000 0.853 121 P CB 0.396 32.060 31.700 -0.061 0.000 0.788 122 L N -1.389 120.178 121.223 0.572 0.000 3.108 122 L HA 0.224 4.564 4.340 -0.000 0.000 0.251 122 L C 0.312 177.168 176.870 -0.024 0.000 1.315 122 L CA -1.011 54.004 54.840 0.293 0.000 1.048 122 L CB -0.277 41.922 42.059 0.232 0.000 1.432 122 L HN -0.021 nan 8.230 nan 0.000 0.543 123 L N 1.129 122.349 121.223 -0.005 0.000 2.529 123 L HA -0.035 4.305 4.340 -0.000 0.000 0.287 123 L C 0.605 177.363 176.870 -0.187 0.000 1.241 123 L CA 0.638 55.333 54.840 -0.242 0.000 0.857 123 L CB 0.275 42.297 42.059 -0.063 0.000 1.113 123 L HN 0.237 nan 8.230 nan 0.000 0.504 124 N N 4.575 123.140 118.700 -0.224 0.000 2.437 124 N HA 0.245 4.984 4.740 -0.000 0.000 0.243 124 N C -1.149 174.338 175.510 -0.039 0.000 1.041 124 N CA -0.078 52.884 53.050 -0.147 0.000 0.940 124 N CB 0.181 38.552 38.487 -0.193 0.000 1.133 124 N HN 0.510 nan 8.380 nan 0.000 0.506 125 K N 5.467 125.880 120.400 0.021 0.000 2.832 125 K HA 0.064 4.384 4.320 -0.000 0.000 0.243 125 K C -0.004 176.630 176.600 0.056 0.000 1.117 125 K CA -0.453 55.880 56.287 0.077 0.000 1.068 125 K CB 0.457 32.875 32.500 -0.137 0.000 1.286 125 K HN 0.419 nan 8.250 nan 0.000 0.553 126 L N 2.811 124.116 121.223 0.136 0.000 1.932 126 L HA -0.069 4.271 4.340 -0.000 0.000 0.217 126 L C -0.305 176.632 176.870 0.111 0.000 1.077 126 L CA 2.326 57.232 54.840 0.111 0.000 0.765 126 L CB -0.132 42.008 42.059 0.136 0.000 0.888 126 L HN 0.798 nan 8.230 nan 0.000 0.433 127 D N -2.690 117.814 120.400 0.175 0.000 2.623 127 D HA 0.239 4.879 4.640 -0.000 0.000 0.241 127 D C -1.556 174.928 176.300 0.307 0.000 1.241 127 D CA -0.592 53.523 54.000 0.193 0.000 0.788 127 D CB 0.272 41.157 40.800 0.141 0.000 1.413 127 D HN 0.102 nan 8.370 nan 0.000 0.429 128 D N -0.279 120.305 120.400 0.307 0.000 2.359 128 D HA 0.248 4.887 4.640 -0.000 0.000 0.250 128 D C 0.639 176.986 176.300 0.079 0.000 1.264 128 D CA -0.222 53.939 54.000 0.268 0.000 0.911 128 D CB 0.604 41.572 40.800 0.280 0.000 1.056 128 D HN 0.395 nan 8.370 nan 0.000 0.499 129 T N 0.138 114.696 114.554 0.008 0.000 3.206 129 T HA 0.084 4.434 4.350 -0.000 0.000 0.253 129 T C 1.267 175.880 174.700 -0.145 0.000 1.042 129 T CA -0.311 61.762 62.100 -0.044 0.000 0.931 129 T CB 0.086 68.938 68.868 -0.026 0.000 1.029 129 T HN 0.487 nan 8.240 nan 0.000 0.564 130 E N 2.040 122.134 120.200 -0.177 0.000 2.028 130 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 130 E C 0.896 177.419 176.600 -0.127 0.000 0.988 130 E CA 0.896 57.181 56.400 -0.192 0.000 0.799 130 E CB 0.134 29.683 29.700 -0.251 0.000 0.755 130 E HN 0.448 nan 8.360 nan 0.000 0.447 131 N N 0.030 118.677 118.700 -0.088 0.000 2.651 131 N HA 0.068 4.808 4.740 -0.000 0.000 0.277 131 N C -1.639 173.861 175.510 -0.016 0.000 1.787 131 N CA -0.069 52.949 53.050 -0.053 0.000 0.818 131 N CB 0.726 39.177 38.487 -0.060 0.000 1.316 131 N HN 0.020 nan 8.380 nan 0.000 0.503 132 S N 0.015 115.717 115.700 0.002 0.000 2.550 132 S HA 0.023 4.493 4.470 -0.000 0.000 0.285 132 S C 1.366 175.985 174.600 0.032 0.000 1.326 132 S CA 0.274 58.495 58.200 0.034 0.000 1.037 132 S CB 0.375 63.610 63.200 0.058 0.000 0.838 132 S HN 0.565 nan 8.310 nan 0.000 0.519 133 N N 2.382 121.106 118.700 0.040 0.000 2.083 133 N HA 0.028 4.768 4.740 -0.000 0.000 0.190 133 N C 0.497 176.034 175.510 0.045 0.000 1.047 133 N CA 0.560 53.631 53.050 0.035 0.000 0.845 133 N CB -0.015 38.492 38.487 0.033 0.000 1.025 133 N HN 0.408 nan 8.380 nan 0.000 0.428 134 K N -0.517 119.919 120.400 0.059 0.000 1.763 134 K HA 0.241 4.561 4.320 -0.000 0.000 0.265 134 K C -1.485 175.204 176.600 0.147 0.000 0.886 134 K CA -0.594 55.743 56.287 0.085 0.000 0.737 134 K CB 0.001 32.536 32.500 0.060 0.000 2.312 134 K HN 0.020 nan 8.250 nan 0.000 0.831 135 Y N 1.620 121.935 120.300 0.024 0.000 2.402 135 Y HA 0.401 4.950 4.550 -0.000 0.000 0.325 135 Y C -1.069 174.845 175.900 0.024 0.000 1.009 135 Y CA -0.807 57.308 58.100 0.026 0.000 1.278 135 Y CB 0.615 39.089 38.460 0.024 0.000 1.105 135 Y HN 0.147 nan 8.280 nan 0.000 0.476 136 V N 5.063 124.712 119.914 -0.442 0.000 2.904 136 V HA 0.578 4.698 4.120 -0.000 0.000 0.305 136 V C 1.152 176.746 176.094 -0.834 0.000 1.067 136 V CA 0.033 62.063 62.300 -0.449 0.000 1.044 136 V CB 1.256 32.971 31.823 -0.180 0.000 1.050 136 V HN 0.954 nan 8.190 nan 0.000 0.475 137 G N 1.486 109.945 108.800 -0.569 0.000 2.631 137 G HA2 0.079 4.039 3.960 -0.000 0.000 0.271 137 G HA3 0.079 4.039 3.960 -0.000 0.000 0.271 137 G C -0.037 174.756 174.900 -0.179 0.000 1.302 137 G CA -0.642 44.213 45.100 -0.408 0.000 1.002 137 G HN 0.801 nan 8.290 nan 0.000 0.519 138 N N 0.378 119.052 118.700 -0.043 0.000 2.236 138 N HA 0.078 4.818 4.740 -0.000 0.000 0.274 138 N C 1.044 176.545 175.510 -0.015 0.000 1.339 138 N CA 0.608 53.662 53.050 0.006 0.000 0.845 138 N CB 0.450 38.953 38.487 0.027 0.000 1.091 138 N HN 0.625 nan 8.380 nan 0.000 0.489 139 S N 1.030 116.727 115.700 -0.005 0.000 2.618 139 S HA 0.523 4.993 4.470 -0.000 0.000 0.254 139 S C 1.012 175.612 174.600 -0.000 0.000 1.284 139 S CA -0.186 58.011 58.200 -0.006 0.000 0.975 139 S CB 0.393 63.597 63.200 0.006 0.000 1.022 139 S HN 0.533 nan 8.310 nan 0.000 0.571 140 G N -0.808 107.992 108.800 0.001 0.000 3.310 140 G HA2 0.536 4.496 3.960 -0.000 0.000 0.176 140 G HA3 0.536 4.496 3.960 -0.000 0.000 0.176 140 G C -0.828 174.073 174.900 0.003 0.000 1.307 140 G CA -0.489 44.612 45.100 0.002 0.000 0.935 140 G HN 0.729 nan 8.290 nan 0.000 0.628 141 T N 1.322 115.877 114.554 0.001 0.000 2.837 141 T HA 0.463 4.813 4.350 -0.000 0.000 0.285 141 T C -0.789 173.910 174.700 -0.000 0.000 0.984 141 T CA 0.359 62.459 62.100 0.000 0.000 1.049 141 T CB 1.089 69.957 68.868 -0.000 0.000 0.947 141 T HN 0.527 nan 8.240 nan 0.000 0.472 142 D N 2.319 122.717 120.400 -0.003 0.000 3.729 142 D HA -0.133 4.507 4.640 -0.000 0.000 0.242 142 D C -0.125 176.174 176.300 -0.001 0.000 1.091 142 D CA 0.276 54.273 54.000 -0.004 0.000 1.096 142 D CB -0.881 39.919 40.800 -0.001 0.000 0.901 142 D HN 0.645 nan 8.370 nan 0.000 0.416 143 N N 1.102 119.801 118.700 -0.001 0.000 2.251 143 N HA 0.087 4.827 4.740 -0.000 0.000 0.217 143 N C 0.296 175.804 175.510 -0.002 0.000 1.124 143 N CA -0.387 52.664 53.050 0.003 0.000 0.843 143 N CB 0.412 38.906 38.487 0.011 0.000 1.024 143 N HN 0.264 nan 8.380 nan 0.000 0.501 144 R N 1.587 122.080 120.500 -0.011 0.000 2.740 144 R HA 0.015 4.354 4.340 -0.000 0.000 0.263 144 R C 0.360 176.654 176.300 -0.009 0.000 0.997 144 R CA 0.654 56.741 56.100 -0.022 0.000 1.108 144 R CB 0.099 30.380 30.300 -0.032 0.000 0.969 144 R HN 0.466 nan 8.270 nan 0.000 0.431 145 E N 0.123 120.315 120.200 -0.014 0.000 2.437 145 E HA 0.180 4.530 4.350 -0.000 0.000 0.280 145 E C -1.432 175.173 176.600 0.008 0.000 1.044 145 E CA -1.048 55.351 56.400 -0.002 0.000 0.826 145 E CB 1.050 30.741 29.700 -0.015 0.000 1.358 145 E HN 0.478 nan 8.360 nan 0.000 0.459 146 C N 1.979 121.288 119.300 0.015 0.000 2.566 146 C HA 0.598 5.058 4.460 -0.000 0.000 0.393 146 C C -0.266 174.724 174.990 0.000 0.000 1.309 146 C CA 0.069 59.100 59.018 0.022 0.000 1.801 146 C CB -1.798 25.951 27.740 0.016 0.000 2.493 146 C HN 0.486 nan 8.230 nan 0.000 0.575 147 I N 5.873 126.444 120.570 0.001 0.000 2.680 147 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 147 I C -0.104 176.013 176.117 -0.001 0.000 1.244 147 I CA 0.040 61.330 61.300 -0.015 0.000 1.042 147 I CB 2.459 40.426 38.000 -0.055 0.000 1.277 147 I HN 0.715 nan 8.210 nan 0.000 0.423 148 S N 6.722 122.417 115.700 -0.008 0.000 2.715 148 S HA 0.982 5.452 4.470 -0.000 0.000 0.307 148 S C -0.516 174.074 174.600 -0.016 0.000 1.119 148 S CA -0.667 57.517 58.200 -0.027 0.000 0.937 148 S CB 2.643 65.820 63.200 -0.038 0.000 1.150 148 S HN 0.753 nan 8.310 nan 0.000 0.521 149 M N -0.670 118.893 119.600 -0.062 0.000 3.277 149 M HA 0.395 4.875 4.480 -0.000 0.000 0.282 149 M C -2.679 173.549 176.300 -0.120 0.000 1.009 149 M CA -0.785 54.493 55.300 -0.037 0.000 0.822 149 M CB 1.282 33.922 32.600 0.068 0.000 1.620 149 M HN 0.746 nan 8.290 nan 0.000 0.557 150 D N 1.225 121.599 120.400 -0.044 0.000 2.481 150 D HA 0.421 5.061 4.640 -0.000 0.000 0.246 150 D C -1.012 175.349 176.300 0.102 0.000 1.109 150 D CA -0.287 53.683 54.000 -0.050 0.000 0.845 150 D CB 1.025 41.828 40.800 0.006 0.000 1.160 150 D HN 0.668 nan 8.370 nan 0.000 0.534 151 Y N 0.921 121.268 120.300 0.079 0.000 2.469 151 Y HA -0.105 4.444 4.550 -0.000 0.000 0.353 151 Y C 1.728 177.663 175.900 0.059 0.000 1.269 151 Y CA -0.634 57.517 58.100 0.086 0.000 1.504 151 Y CB 0.830 39.359 38.460 0.115 0.000 1.369 151 Y HN 0.337 nan 8.280 nan 0.000 0.654 152 K N 2.089 122.633 120.400 0.239 0.000 2.469 152 K HA -0.051 4.268 4.320 -0.000 0.000 0.274 152 K C -0.610 176.083 176.600 0.155 0.000 0.983 152 K CA -0.382 55.984 56.287 0.132 0.000 0.974 152 K CB 0.579 33.128 32.500 0.082 0.000 0.913 152 K HN 0.712 nan 8.250 nan 0.000 0.493 153 Q N 2.324 122.204 119.800 0.133 0.000 2.256 153 Q HA 0.280 4.620 4.340 -0.000 0.000 0.257 153 Q C -1.437 174.635 176.000 0.121 0.000 0.936 153 Q CA -0.494 55.388 55.803 0.132 0.000 0.903 153 Q CB 1.776 30.584 28.738 0.117 0.000 1.263 153 Q HN 0.690 nan 8.270 nan 0.000 0.440 154 T N 3.644 118.272 114.554 0.123 0.000 2.916 154 T HA 0.404 4.754 4.350 -0.000 0.000 0.305 154 T C -1.249 173.517 174.700 0.111 0.000 1.119 154 T CA -0.754 61.416 62.100 0.117 0.000 1.008 154 T CB 1.698 70.640 68.868 0.123 0.000 1.129 154 T HN 0.634 nan 8.240 nan 0.000 0.480 155 Q N 2.202 122.050 119.800 0.080 0.000 2.350 155 Q HA 0.564 4.904 4.340 -0.000 0.000 0.255 155 Q C -1.376 174.664 176.000 0.067 0.000 0.951 155 Q CA -0.721 55.111 55.803 0.048 0.000 0.751 155 Q CB 1.713 30.347 28.738 -0.174 0.000 1.296 155 Q HN 0.623 nan 8.270 nan 0.000 0.453 156 L N -1.143 120.229 121.223 0.249 0.000 2.350 156 L HA 1.004 5.344 4.340 -0.000 0.000 0.260 156 L C -1.144 175.963 176.870 0.394 0.000 1.015 156 L CA -0.865 54.118 54.840 0.239 0.000 0.821 156 L CB 2.294 44.484 42.059 0.219 0.000 1.370 156 L HN 0.577 nan 8.230 nan 0.000 0.416 157 C N 3.041 122.548 119.300 0.346 0.000 2.642 157 C HA 0.846 5.306 4.460 -0.000 0.000 0.344 157 C C -1.087 174.098 174.990 0.324 0.000 1.110 157 C CA -0.513 58.754 59.018 0.415 0.000 1.298 157 C CB 0.411 28.498 27.740 0.579 0.000 1.827 157 C HN 0.921 nan 8.230 nan 0.000 0.467 158 L N 6.135 127.531 121.223 0.289 0.000 2.354 158 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 158 L C -0.740 176.298 176.870 0.279 0.000 1.008 158 L CA -0.821 54.181 54.840 0.271 0.000 0.819 158 L CB 1.638 43.781 42.059 0.140 0.000 1.339 158 L HN 0.379 nan 8.230 nan 0.000 0.420 159 I N 1.293 122.056 120.570 0.323 0.000 2.447 159 I HA 0.784 4.954 4.170 -0.000 0.000 0.287 159 I C 0.219 176.355 176.117 0.032 0.000 1.023 159 I CA -0.094 61.393 61.300 0.312 0.000 1.083 159 I CB 1.294 39.595 38.000 0.501 0.000 1.245 159 I HN 0.833 nan 8.210 nan 0.000 0.434 160 G N 3.373 112.081 108.800 -0.152 0.000 2.687 160 G HA2 0.411 4.371 3.960 -0.000 0.000 0.291 160 G HA3 0.411 4.371 3.960 -0.000 0.000 0.291 160 G C 0.158 174.953 174.900 -0.175 0.000 1.420 160 G CA -0.300 44.327 45.100 -0.790 0.000 0.796 160 G HN 0.654 nan 8.290 nan 0.000 0.485 161 C N -1.100 118.113 119.300 -0.145 0.000 2.697 161 C HA 0.585 5.044 4.460 -0.000 0.000 0.267 161 C C 0.800 175.906 174.990 0.193 0.000 1.278 161 C CA -0.652 58.500 59.018 0.224 0.000 1.708 161 C CB -1.404 26.528 27.740 0.319 0.000 1.860 161 C HN 0.471 nan 8.230 nan 0.000 0.589 162 R N 1.175 121.620 120.500 -0.092 0.000 2.912 162 R HA 0.579 4.919 4.340 -0.000 0.000 0.262 162 R C -2.973 172.786 176.300 -0.902 0.000 1.057 162 R CA -1.625 54.219 56.100 -0.427 0.000 0.981 162 R CB 1.187 31.330 30.300 -0.262 0.000 1.201 162 R HN 0.063 nan 8.270 nan 0.000 0.484 163 P HA 0.170 nan 4.420 nan 0.000 0.285 163 P C -2.455 174.512 177.300 -0.556 0.000 1.259 163 P CA -1.395 61.000 63.100 -1.176 0.000 0.794 163 P CB 0.720 31.690 31.700 -1.217 0.000 0.940 164 P HA 0.158 nan 4.420 nan 0.000 0.273 164 P C -0.144 176.975 177.300 -0.301 0.000 1.250 164 P CA -0.009 62.911 63.100 -0.300 0.000 0.793 164 P CB 0.673 32.227 31.700 -0.243 0.000 1.011 165 I N -3.389 117.014 120.570 -0.279 0.000 2.797 165 I HA 0.866 5.036 4.170 -0.000 0.000 0.307 165 I C -0.083 175.879 176.117 -0.259 0.000 1.033 165 I CA -0.946 60.204 61.300 -0.250 0.000 1.071 165 I CB 2.132 40.014 38.000 -0.197 0.000 1.255 165 I HN 0.369 nan 8.210 nan 0.000 0.445 166 G N 2.318 110.989 108.800 -0.216 0.000 2.569 166 G HA2 0.677 4.637 3.960 -0.000 0.000 0.300 166 G HA3 0.677 4.637 3.960 -0.000 0.000 0.300 166 G C -1.686 173.165 174.900 -0.081 0.000 1.269 166 G CA -0.792 44.195 45.100 -0.189 0.000 0.959 166 G HN 0.871 nan 8.290 nan 0.000 0.478 167 E N -0.231 119.949 120.200 -0.032 0.000 2.199 167 E HA 0.641 4.991 4.350 -0.000 0.000 0.269 167 E C -0.916 175.699 176.600 0.026 0.000 0.899 167 E CA -0.953 55.412 56.400 -0.058 0.000 0.772 167 E CB 1.966 31.607 29.700 -0.100 0.000 1.155 167 E HN 0.751 nan 8.360 nan 0.000 0.408 168 H N 0.778 119.732 119.070 -0.192 0.000 3.017 168 H HA 0.248 4.804 4.556 -0.000 0.000 0.346 168 H C -1.771 173.435 175.328 -0.203 0.000 1.286 168 H CA -1.325 54.637 56.048 -0.144 0.000 1.120 168 H CB 0.557 30.311 29.762 -0.014 0.000 1.860 168 H HN 0.667 nan 8.280 nan 0.000 0.542 169 W N 1.558 122.886 121.300 0.047 0.000 2.342 169 W HA 0.524 5.184 4.660 -0.000 0.000 0.310 169 W C 0.601 177.094 176.519 -0.043 0.000 1.128 169 W CA -0.181 57.127 57.345 -0.061 0.000 1.322 169 W CB 1.474 30.911 29.460 -0.038 0.000 1.251 169 W HN 0.794 nan 8.180 nan 0.000 0.439 170 G N 2.352 111.194 108.800 0.070 0.000 2.601 170 G HA2 0.414 4.373 3.960 -0.000 0.000 0.317 170 G HA3 0.414 4.373 3.960 -0.000 0.000 0.317 170 G C -1.373 173.571 174.900 0.073 0.000 1.246 170 G CA -1.058 44.078 45.100 0.060 0.000 1.012 170 G HN 0.306 nan 8.290 nan 0.000 0.494 171 K N -0.109 120.321 120.400 0.051 0.000 2.297 171 K HA 0.505 4.825 4.320 -0.000 0.000 0.286 171 K C 0.342 176.959 176.600 0.027 0.000 1.053 171 K CA -0.299 56.008 56.287 0.033 0.000 0.940 171 K CB 0.518 33.032 32.500 0.022 0.000 1.019 171 K HN 0.505 nan 8.250 nan 0.000 0.475 172 G N 1.782 110.598 108.800 0.027 0.000 2.471 172 G HA2 0.283 4.243 3.960 -0.000 0.000 0.332 172 G HA3 0.283 4.243 3.960 -0.000 0.000 0.332 172 G C -0.941 173.966 174.900 0.012 0.000 1.176 172 G CA -0.641 44.472 45.100 0.022 0.000 0.949 172 G HN 0.572 nan 8.290 nan 0.000 0.488 173 T N 2.995 117.555 114.554 0.010 0.000 2.749 173 T HA 0.447 4.797 4.350 -0.000 0.000 0.295 173 T C -1.524 173.179 174.700 0.004 0.000 0.936 173 T CA -0.566 61.538 62.100 0.006 0.000 1.060 173 T CB 1.287 70.157 68.868 0.004 0.000 0.904 173 T HN 0.477 nan 8.240 nan 0.000 0.500 174 P HA 0.322 nan 4.420 nan 0.000 0.275 174 P C -0.231 177.069 177.300 0.001 0.000 1.266 174 P CA -0.635 62.465 63.100 0.001 0.000 0.793 174 P CB 0.564 32.263 31.700 -0.002 0.000 1.074 175 S N -0.708 114.992 115.700 0.000 0.000 2.707 175 S HA 0.164 4.634 4.470 -0.000 0.000 0.276 175 S C 0.551 175.151 174.600 -0.001 0.000 1.179 175 S CA -0.929 57.272 58.200 0.000 0.000 0.992 175 S CB 0.034 63.234 63.200 0.001 0.000 1.030 175 S HN 0.510 nan 8.310 nan 0.000 0.554 176 N N 1.440 120.140 118.700 -0.001 0.000 2.374 176 N HA 0.157 4.897 4.740 -0.000 0.000 0.298 176 N C -0.020 175.489 175.510 -0.001 0.000 1.273 176 N CA 0.420 53.469 53.050 -0.001 0.000 1.093 176 N CB -0.820 37.666 38.487 -0.001 0.000 1.486 176 N HN 0.723 nan 8.380 nan 0.000 0.488 177 A N 2.948 125.767 122.820 -0.002 0.000 5.519 177 A HA 0.292 4.612 4.320 -0.000 0.000 0.158 177 A C -0.550 177.033 177.584 -0.003 0.000 0.860 177 A CA -0.559 51.477 52.037 -0.002 0.000 1.134 177 A CB 0.202 19.201 19.000 -0.002 0.000 2.248 177 A HN 0.494 nan 8.150 nan 0.000 1.056 178 N N 1.315 120.013 118.700 -0.003 0.000 2.381 178 N HA 0.324 5.064 4.740 -0.000 0.000 0.241 178 N C -0.119 175.388 175.510 -0.004 0.000 1.279 178 N CA 0.207 53.255 53.050 -0.003 0.000 0.896 178 N CB 0.228 38.713 38.487 -0.004 0.000 1.118 178 N HN 0.582 nan 8.380 nan 0.000 0.438 179 Q N 1.218 121.015 119.800 -0.004 0.000 2.349 179 Q HA 0.203 4.543 4.340 -0.000 0.000 0.254 179 Q C -0.969 175.028 176.000 -0.005 0.000 0.980 179 Q CA -0.627 55.174 55.803 -0.004 0.000 0.924 179 Q CB 0.576 29.312 28.738 -0.003 0.000 1.209 179 Q HN 0.420 nan 8.270 nan 0.000 0.445 180 V N 6.870 126.781 119.914 -0.005 0.000 2.165 180 V HA -0.096 4.024 4.120 -0.000 0.000 0.233 180 V C 0.728 176.818 176.094 -0.007 0.000 1.424 180 V CA 0.133 62.429 62.300 -0.007 0.000 1.454 180 V CB -1.734 30.085 31.823 -0.007 0.000 1.497 180 V HN 0.640 nan 8.190 nan 0.000 0.494 181 K N 2.360 122.756 120.400 -0.006 0.000 2.455 181 K HA 0.190 4.510 4.320 -0.000 0.000 0.269 181 K C 0.397 176.993 176.600 -0.007 0.000 0.972 181 K CA 0.450 56.733 56.287 -0.006 0.000 0.938 181 K CB 0.222 32.719 32.500 -0.006 0.000 0.931 181 K HN 0.409 nan 8.250 nan 0.000 0.507 182 A N 0.508 123.324 122.820 -0.007 0.000 2.587 182 A HA 0.357 4.677 4.320 -0.000 0.000 0.233 182 A C 1.465 179.044 177.584 -0.009 0.000 1.049 182 A CA 1.100 53.133 52.037 -0.008 0.000 0.754 182 A CB -1.096 17.900 19.000 -0.007 0.000 0.977 182 A HN 1.438 nan 8.150 nan 0.000 0.509 183 G N 0.905 109.698 108.800 -0.011 0.000 2.345 183 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.218 183 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.218 183 G C 0.270 175.161 174.900 -0.016 0.000 1.058 183 G CA 0.281 45.373 45.100 -0.013 0.000 0.632 183 G HN 0.853 nan 8.290 nan 0.000 0.508 184 E N 0.509 120.700 120.200 -0.015 0.000 2.438 184 E HA 0.283 4.633 4.350 -0.000 0.000 0.261 184 E C 0.823 177.411 176.600 -0.021 0.000 1.103 184 E CA -0.065 56.325 56.400 -0.017 0.000 0.959 184 E CB 0.765 30.456 29.700 -0.014 0.000 0.958 184 E HN 0.676 nan 8.360 nan 0.000 0.447 185 C N 5.716 125.001 119.300 -0.026 0.000 2.442 185 C HA 0.278 4.738 4.460 -0.000 0.000 0.362 185 C C -1.869 173.102 174.990 -0.031 0.000 1.242 185 C CA -1.730 57.268 59.018 -0.033 0.000 1.741 185 C CB -0.806 26.909 27.740 -0.041 0.000 2.378 185 C HN 0.375 nan 8.230 nan 0.000 0.549 186 P HA 0.197 nan 4.420 nan 0.000 0.265 186 P C -2.441 174.843 177.300 -0.027 0.000 1.193 186 P CA -0.623 62.463 63.100 -0.022 0.000 0.765 186 P CB 0.088 31.778 31.700 -0.017 0.000 0.823 187 P HA 0.074 nan 4.420 nan 0.000 0.268 187 P C -0.225 177.073 177.300 -0.004 0.000 1.205 187 P CA 0.012 63.100 63.100 -0.019 0.000 0.771 187 P CB 0.500 32.196 31.700 -0.007 0.000 0.858 188 L N 1.987 123.201 121.223 -0.015 0.000 2.421 188 L HA 0.446 4.786 4.340 -0.000 0.000 0.263 188 L C 0.836 177.815 176.870 0.181 0.000 1.122 188 L CA 0.095 54.968 54.840 0.055 0.000 0.804 188 L CB -0.123 41.905 42.059 -0.051 0.000 1.150 188 L HN 0.551 nan 8.230 nan 0.000 0.457 189 E N 1.246 121.598 120.200 0.254 0.000 2.290 189 E HA 0.204 4.554 4.350 -0.000 0.000 0.274 189 E C -1.414 175.247 176.600 0.102 0.000 0.889 189 E CA -0.935 55.591 56.400 0.210 0.000 0.760 189 E CB 2.493 32.234 29.700 0.069 0.000 1.206 189 E HN 0.375 nan 8.360 nan 0.000 0.419 190 L N 5.803 126.956 121.223 -0.117 0.000 2.704 190 L HA 0.143 4.483 4.340 -0.000 0.000 0.279 190 L C -0.951 175.692 176.870 -0.379 0.000 1.147 190 L CA 0.704 55.200 54.840 -0.573 0.000 0.994 190 L CB -0.354 41.247 42.059 -0.763 0.000 1.332 190 L HN 0.409 nan 8.230 nan 0.000 0.471 191 L N 4.590 125.528 121.223 -0.475 0.000 2.309 191 L HA 0.479 4.819 4.340 -0.000 0.000 0.282 191 L C 0.172 176.875 176.870 -0.277 0.000 1.036 191 L CA -0.681 53.929 54.840 -0.382 0.000 0.806 191 L CB 1.081 42.841 42.059 -0.499 0.000 1.220 191 L HN 0.480 nan 8.230 nan 0.000 0.429 192 N N 0.794 119.405 118.700 -0.149 0.000 2.489 192 N HA 0.657 5.397 4.740 -0.000 0.000 0.284 192 N C -0.479 175.008 175.510 -0.038 0.000 1.158 192 N CA -0.246 52.746 53.050 -0.096 0.000 0.965 192 N CB 2.046 40.475 38.487 -0.096 0.000 1.195 192 N HN 0.663 nan 8.380 nan 0.000 0.506 193 T N -1.447 113.081 114.554 -0.045 0.000 2.927 193 T HA 0.233 4.583 4.350 -0.000 0.000 0.350 193 T C -1.699 172.924 174.700 -0.127 0.000 1.746 193 T CA -0.637 61.443 62.100 -0.034 0.000 1.081 193 T CB 0.155 69.057 68.868 0.057 0.000 1.551 193 T HN 0.027 nan 8.240 nan 0.000 0.489 194 V N 4.657 124.458 119.914 -0.188 0.000 2.530 194 V HA 0.408 4.527 4.120 -0.000 0.000 0.282 194 V C 0.655 176.612 176.094 -0.229 0.000 1.048 194 V CA -0.573 61.548 62.300 -0.299 0.000 0.997 194 V CB 1.033 32.496 31.823 -0.601 0.000 0.987 194 V HN 0.775 nan 8.190 nan 0.000 0.477 195 L N 5.853 126.932 121.223 -0.241 0.000 2.410 195 L HA 0.299 4.639 4.340 -0.000 0.000 0.273 195 L C 0.224 177.085 176.870 -0.015 0.000 1.144 195 L CA 0.399 55.089 54.840 -0.250 0.000 0.863 195 L CB 0.494 42.321 42.059 -0.387 0.000 1.140 195 L HN 0.696 nan 8.230 nan 0.000 0.463 196 Q N 1.587 121.408 119.800 0.036 0.000 2.413 196 Q HA 0.242 4.582 4.340 -0.000 0.000 0.276 196 Q C -1.113 174.987 176.000 0.167 0.000 1.099 196 Q CA -0.967 54.965 55.803 0.216 0.000 0.814 196 Q CB 2.502 31.279 28.738 0.065 0.000 1.379 196 Q HN 0.520 nan 8.270 nan 0.000 0.436 197 D N -0.218 120.325 120.400 0.238 0.000 2.488 197 D HA 0.232 4.872 4.640 -0.000 0.000 0.238 197 D C 0.872 177.245 176.300 0.122 0.000 1.138 197 D CA 2.125 56.217 54.000 0.154 0.000 0.873 197 D CB 0.315 41.211 40.800 0.160 0.000 1.183 197 D HN 0.673 nan 8.370 nan 0.000 0.458 198 G N 2.732 111.615 108.800 0.138 0.000 2.176 198 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.232 198 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.232 198 G C 0.044 175.031 174.900 0.145 0.000 0.986 198 G CA 0.044 45.218 45.100 0.123 0.000 0.643 198 G HN 0.636 nan 8.290 nan 0.000 0.522 199 D N 1.012 121.522 120.400 0.183 0.000 2.368 199 D HA 0.455 5.095 4.640 -0.000 0.000 0.240 199 D C 1.194 177.685 176.300 0.318 0.000 1.169 199 D CA 0.219 54.338 54.000 0.197 0.000 0.906 199 D CB 0.402 41.244 40.800 0.070 0.000 1.187 199 D HN 0.089 nan 8.370 nan 0.000 0.435 200 M N 1.467 121.218 119.600 0.252 0.000 2.144 200 M HA 0.200 4.680 4.480 -0.000 0.000 0.356 200 M C 0.053 176.557 176.300 0.340 0.000 1.217 200 M CA -0.925 54.523 55.300 0.246 0.000 1.087 200 M CB 0.756 33.444 32.600 0.146 0.000 1.609 200 M HN 0.080 nan 8.290 nan 0.000 0.467 201 V N 0.587 120.646 119.914 0.242 0.000 3.319 201 V HA 0.234 4.354 4.120 -0.000 0.000 0.303 201 V C 0.529 176.741 176.094 0.196 0.000 1.094 201 V CA -1.057 61.390 62.300 0.245 0.000 1.106 201 V CB 0.176 31.994 31.823 -0.007 0.000 1.099 201 V HN 0.914 nan 8.190 nan 0.000 0.476 202 D N 1.005 121.556 120.400 0.252 0.000 2.455 202 D HA -0.027 4.613 4.640 -0.000 0.000 0.241 202 D C 0.885 177.216 176.300 0.051 0.000 1.138 202 D CA 0.561 54.676 54.000 0.191 0.000 0.877 202 D CB 1.493 42.429 40.800 0.225 0.000 1.187 202 D HN 0.946 nan 8.370 nan 0.000 0.451 203 T N -1.451 113.054 114.554 -0.083 0.000 3.054 203 T HA 0.421 4.771 4.350 -0.000 0.000 0.255 203 T C 1.250 175.866 174.700 -0.140 0.000 1.035 203 T CA 0.225 62.126 62.100 -0.332 0.000 0.941 203 T CB 0.026 68.075 68.868 -1.365 0.000 1.026 203 T HN 0.831 nan 8.240 nan 0.000 0.533 204 G N 0.578 109.380 108.800 0.004 0.000 2.234 204 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.153 204 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.153 204 G C 0.066 174.901 174.900 -0.109 0.000 1.013 204 G CA -0.329 44.735 45.100 -0.059 0.000 0.712 204 G HN 0.441 nan 8.290 nan 0.000 0.491 205 F N 1.682 121.683 119.950 0.085 0.000 2.698 205 F HA 0.526 5.053 4.527 -0.000 0.000 0.304 205 F C 1.390 177.339 175.800 0.248 0.000 1.108 205 F CA 0.553 58.672 58.000 0.199 0.000 1.263 205 F CB 1.163 40.327 39.000 0.273 0.000 1.013 205 F HN 0.775 nan 8.300 nan 0.000 0.532 206 G N 0.954 109.936 108.800 0.303 0.000 2.730 206 G HA2 0.171 4.131 3.960 -0.000 0.000 0.686 206 G HA3 0.171 4.131 3.960 -0.000 0.000 0.686 206 G C -0.682 174.406 174.900 0.312 0.000 1.343 206 G CA -0.751 44.502 45.100 0.256 0.000 0.826 206 G HN 0.582 nan 8.290 nan 0.000 0.582 207 A N 1.323 124.303 122.820 0.267 0.000 2.294 207 A HA 0.839 5.159 4.320 -0.000 0.000 0.316 207 A C 0.505 178.265 177.584 0.293 0.000 1.359 207 A CA 0.920 53.131 52.037 0.290 0.000 0.956 207 A CB 0.011 19.166 19.000 0.258 0.000 1.155 207 A HN 2.199 nan 8.150 nan 0.000 0.544 208 M N 1.147 120.894 119.600 0.244 0.000 3.372 208 M HA 0.636 5.116 4.480 -0.000 0.000 0.292 208 M C -1.901 174.418 176.300 0.032 0.000 1.391 208 M CA -0.749 54.627 55.300 0.126 0.000 0.786 208 M CB 1.623 34.178 32.600 -0.074 0.000 1.798 208 M HN 0.327 nan 8.290 nan 0.000 0.442 209 D N 0.460 120.831 120.400 -0.049 0.000 2.461 209 D HA 0.363 5.003 4.640 -0.000 0.000 0.240 209 D C -0.309 175.883 176.300 -0.181 0.000 1.094 209 D CA -0.368 53.629 54.000 -0.006 0.000 0.868 209 D CB 0.687 41.559 40.800 0.119 0.000 1.062 209 D HN 0.572 nan 8.370 nan 0.000 0.530 210 F N 1.214 121.191 119.950 0.046 0.000 2.171 210 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 210 F C 2.564 178.367 175.800 0.006 0.000 1.090 210 F CA 1.356 59.364 58.000 0.013 0.000 1.293 210 F CB -0.348 38.646 39.000 -0.010 0.000 1.013 210 F HN 0.358 nan 8.300 nan 0.000 0.486 211 T N -2.450 112.196 114.554 0.154 0.000 2.770 211 T HA -0.180 4.170 4.350 -0.000 0.000 0.263 211 T C 2.072 176.799 174.700 0.044 0.000 1.039 211 T CA 1.716 63.870 62.100 0.089 0.000 1.142 211 T CB -1.105 67.812 68.868 0.081 0.000 0.868 211 T HN 0.401 nan 8.240 nan 0.000 0.435 212 T N 0.037 114.611 114.554 0.033 0.000 2.942 212 T HA 0.128 4.477 4.350 -0.000 0.000 0.265 212 T C 1.726 176.423 174.700 -0.005 0.000 1.062 212 T CA 0.312 62.423 62.100 0.018 0.000 1.139 212 T CB -0.363 68.523 68.868 0.030 0.000 0.883 212 T HN 0.126 nan 8.240 nan 0.000 0.468 213 L N 0.772 121.975 121.223 -0.033 0.000 2.416 213 L HA 0.406 4.746 4.340 -0.000 0.000 0.216 213 L C 0.822 177.652 176.870 -0.066 0.000 1.098 213 L CA 0.781 55.584 54.840 -0.061 0.000 0.840 213 L CB -0.267 41.728 42.059 -0.106 0.000 0.981 213 L HN 0.434 nan 8.230 nan 0.000 0.462 214 Q N -1.050 118.720 119.800 -0.050 0.000 2.413 214 Q HA 0.497 4.837 4.340 -0.000 0.000 0.258 214 Q C 0.718 176.713 176.000 -0.009 0.000 1.037 214 Q CA 0.060 55.845 55.803 -0.029 0.000 0.764 214 Q CB 1.791 30.525 28.738 -0.007 0.000 1.217 214 Q HN 0.121 nan 8.270 nan 0.000 0.490 215 A N 3.805 126.613 122.820 -0.019 0.000 1.832 215 A HA -0.231 4.089 4.320 -0.000 0.000 0.214 215 A C 1.825 179.400 177.584 -0.015 0.000 1.200 215 A CA 1.835 53.864 52.037 -0.012 0.000 0.610 215 A CB -0.620 18.371 19.000 -0.015 0.000 0.842 215 A HN 0.907 nan 8.150 nan 0.000 0.444 216 N N 1.572 120.254 118.700 -0.030 0.000 2.251 216 N HA -0.327 4.412 4.740 -0.000 0.000 0.196 216 N C 0.587 176.070 175.510 -0.044 0.000 0.993 216 N CA 1.974 54.997 53.050 -0.045 0.000 0.896 216 N CB -1.085 37.358 38.487 -0.073 0.000 0.994 216 N HN 0.773 nan 8.380 nan 0.000 0.452 217 K N -1.563 118.820 120.400 -0.028 0.000 3.213 217 K HA -0.192 4.128 4.320 -0.000 0.000 0.266 217 K C -0.670 175.885 176.600 -0.075 0.000 0.911 217 K CA 1.042 57.323 56.287 -0.010 0.000 0.684 217 K CB -2.333 30.188 32.500 0.035 0.000 1.402 217 K HN 0.300 nan 8.250 nan 0.000 0.465 218 S N 0.172 115.739 115.700 -0.223 0.000 3.051 218 S HA 0.040 4.510 4.470 -0.000 0.000 0.250 218 S C -0.814 173.483 174.600 -0.505 0.000 0.906 218 S CA -0.045 57.835 58.200 -0.533 0.000 1.234 218 S CB 0.485 63.441 63.200 -0.407 0.000 1.175 218 S HN 0.620 nan 8.310 nan 0.000 0.635 219 D N 1.631 121.821 120.400 -0.349 0.000 2.891 219 D HA 0.389 5.029 4.640 -0.000 0.000 0.332 219 D C -0.128 175.904 176.300 -0.446 0.000 1.369 219 D CA -0.506 53.251 54.000 -0.406 0.000 0.827 219 D CB 0.297 40.851 40.800 -0.410 0.000 1.141 219 D HN 0.205 nan 8.370 nan 0.000 0.464 220 V N -4.601 115.080 119.914 -0.388 0.000 3.000 220 V HA 0.624 4.744 4.120 -0.000 0.000 0.300 220 V C -3.165 172.802 176.094 -0.213 0.000 1.251 220 V CA -2.227 59.773 62.300 -0.498 0.000 0.972 220 V CB 2.080 33.526 31.823 -0.628 0.000 1.065 220 V HN -0.258 nan 8.190 nan 0.000 0.431 221 P HA 0.248 nan 4.420 nan 0.000 0.270 221 P C 1.136 178.411 177.300 -0.041 0.000 1.223 221 P CA -0.323 62.759 63.100 -0.029 0.000 0.785 221 P CB 0.513 32.183 31.700 -0.051 0.000 0.923 222 L N 2.169 123.349 121.223 -0.072 0.000 2.034 222 L HA -0.241 4.099 4.340 -0.000 0.000 0.217 222 L C 1.820 178.710 176.870 0.033 0.000 1.077 222 L CA 2.498 57.333 54.840 -0.009 0.000 0.769 222 L CB -2.081 39.983 42.059 0.009 0.000 0.890 222 L HN 0.518 nan 8.230 nan 0.000 0.435 223 D N -0.117 120.298 120.400 0.026 0.000 2.315 223 D HA -0.217 4.423 4.640 -0.000 0.000 0.211 223 D C 1.695 178.025 176.300 0.050 0.000 0.977 223 D CA 1.558 55.628 54.000 0.117 0.000 0.894 223 D CB -0.366 40.561 40.800 0.212 0.000 0.910 223 D HN 0.670 nan 8.370 nan 0.000 0.490 224 I N -2.733 117.789 120.570 -0.080 0.000 4.592 224 I HA 0.186 4.356 4.170 -0.000 0.000 0.329 224 I C 1.976 177.893 176.117 -0.332 0.000 1.309 224 I CA -0.139 60.996 61.300 -0.274 0.000 1.243 224 I CB -0.253 37.337 38.000 -0.683 0.000 1.241 224 I HN 0.152 nan 8.210 nan 0.000 0.434 225 C N 1.743 120.926 119.300 -0.195 0.000 2.403 225 C HA -0.066 4.394 4.460 -0.000 0.000 0.282 225 C C 2.201 177.256 174.990 0.108 0.000 1.297 225 C CA 0.968 59.965 59.018 -0.035 0.000 1.785 225 C CB -1.731 26.028 27.740 0.032 0.000 1.963 225 C HN 0.729 nan 8.230 nan 0.000 0.507 226 S N -0.146 115.603 115.700 0.082 0.000 2.581 226 S HA 0.592 5.062 4.470 -0.000 0.000 0.245 226 S C -0.077 174.590 174.600 0.113 0.000 1.115 226 S CA -0.029 58.234 58.200 0.105 0.000 1.093 226 S CB -0.166 63.077 63.200 0.072 0.000 0.853 226 S HN 0.683 nan 8.310 nan 0.000 0.479 227 S N 0.453 116.251 115.700 0.163 0.000 2.819 227 S HA 0.623 5.093 4.470 -0.000 0.000 0.299 227 S C -1.101 173.640 174.600 0.235 0.000 1.192 227 S CA -0.940 57.347 58.200 0.144 0.000 0.847 227 S CB 0.778 64.037 63.200 0.098 0.000 1.224 227 S HN 0.450 nan 8.310 nan 0.000 0.537 228 I N 0.928 121.576 120.570 0.131 0.000 2.377 228 I HA 0.386 4.556 4.170 -0.000 0.000 0.293 228 I C -0.842 175.360 176.117 0.143 0.000 0.987 228 I CA -0.453 60.901 61.300 0.090 0.000 1.185 228 I CB 1.257 39.125 38.000 -0.221 0.000 1.341 228 I HN 0.432 nan 8.210 nan 0.000 0.455 229 C N 6.311 125.784 119.300 0.289 0.000 2.246 229 C HA 0.329 4.788 4.460 -0.000 0.000 0.329 229 C C 0.514 175.640 174.990 0.227 0.000 1.221 229 C CA -0.649 58.534 59.018 0.274 0.000 1.697 229 C CB -0.603 27.372 27.740 0.391 0.000 2.312 229 C HN 0.690 nan 8.230 nan 0.000 0.509 230 K N 2.336 122.851 120.400 0.193 0.000 2.095 230 K HA 0.470 4.790 4.320 -0.000 0.000 0.252 230 K C -1.084 175.713 176.600 0.329 0.000 0.977 230 K CA -0.467 55.909 56.287 0.148 0.000 0.900 230 K CB 1.548 33.998 32.500 -0.084 0.000 1.060 230 K HN 0.605 nan 8.250 nan 0.000 0.449 231 Y N 1.731 122.093 120.300 0.102 0.000 2.393 231 Y HA 0.300 4.850 4.550 -0.000 0.000 0.341 231 Y C -2.520 173.374 175.900 -0.011 0.000 0.988 231 Y CA -2.599 55.576 58.100 0.125 0.000 1.078 231 Y CB 1.503 40.033 38.460 0.116 0.000 1.203 231 Y HN 0.410 nan 8.280 nan 0.000 0.453 232 P HA -0.067 nan 4.420 nan 0.000 0.262 232 P C -0.811 176.119 177.300 -0.617 0.000 1.182 232 P CA 0.422 63.070 63.100 -0.753 0.000 0.761 232 P CB 0.465 31.360 31.700 -1.342 0.000 0.795 233 D N 2.842 123.014 120.400 -0.379 0.000 2.470 233 D HA 0.007 4.647 4.640 -0.000 0.000 0.226 233 D C 0.311 176.477 176.300 -0.222 0.000 1.196 233 D CA 0.056 53.938 54.000 -0.197 0.000 0.979 233 D CB -0.153 40.567 40.800 -0.134 0.000 1.059 233 D HN 0.311 nan 8.370 nan 0.000 0.515 234 Y N 1.942 122.151 120.300 -0.152 0.000 2.337 234 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 234 Y C 2.237 178.034 175.900 -0.173 0.000 1.123 234 Y CA 0.334 58.287 58.100 -0.246 0.000 1.201 234 Y CB 0.001 38.284 38.460 -0.295 0.000 1.011 234 Y HN 0.328 nan 8.280 nan 0.000 0.545 235 L N 0.122 121.395 121.223 0.084 0.000 1.989 235 L HA -0.296 4.044 4.340 -0.000 0.000 0.211 235 L C 2.541 179.413 176.870 0.003 0.000 1.071 235 L CA 1.774 56.640 54.840 0.043 0.000 0.749 235 L CB -0.384 41.707 42.059 0.053 0.000 0.890 235 L HN 0.158 nan 8.230 nan 0.000 0.431 236 K N -0.264 120.121 120.400 -0.025 0.000 1.985 236 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 236 K C 2.192 178.764 176.600 -0.047 0.000 1.047 236 K CA 1.562 57.825 56.287 -0.041 0.000 0.932 236 K CB -0.092 32.368 32.500 -0.066 0.000 0.716 236 K HN 0.129 nan 8.250 nan 0.000 0.439 237 M N 0.175 119.723 119.600 -0.086 0.000 2.108 237 M HA -0.229 4.251 4.480 -0.000 0.000 0.257 237 M C 2.162 178.434 176.300 -0.046 0.000 1.071 237 M CA 1.508 56.752 55.300 -0.094 0.000 1.093 237 M CB -0.439 32.059 32.600 -0.170 0.000 1.345 237 M HN 0.039 nan 8.290 nan 0.000 0.403 238 V N -0.623 119.266 119.914 -0.042 0.000 2.427 238 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 238 V C 2.171 178.288 176.094 0.038 0.000 1.051 238 V CA 1.879 64.182 62.300 0.005 0.000 1.048 238 V CB -0.278 31.551 31.823 0.010 0.000 0.666 238 V HN 0.412 nan 8.190 nan 0.000 0.456 239 S N -1.075 114.639 115.700 0.025 0.000 2.603 239 S HA 0.005 4.475 4.470 -0.000 0.000 0.220 239 S C 0.835 175.454 174.600 0.032 0.000 0.967 239 S CA -0.115 58.105 58.200 0.034 0.000 0.920 239 S CB -0.381 62.831 63.200 0.020 0.000 0.773 239 S HN 0.764 nan 8.310 nan 0.000 0.529 240 E N 3.045 123.262 120.200 0.028 0.000 2.529 240 E HA -0.038 4.312 4.350 -0.000 0.000 0.259 240 E C -1.274 175.358 176.600 0.054 0.000 0.966 240 E CA -1.092 55.328 56.400 0.033 0.000 0.937 240 E CB 0.692 30.414 29.700 0.037 0.000 0.923 240 E HN 0.106 nan 8.360 nan 0.000 0.468 241 P HA -0.189 nan 4.420 nan 0.000 0.218 241 P C 0.527 177.759 177.300 -0.114 0.000 1.149 241 P CA 1.467 64.498 63.100 -0.115 0.000 0.817 241 P CB -0.011 31.499 31.700 -0.317 0.000 0.785 242 Y N -0.307 120.061 120.300 0.112 0.000 2.476 242 Y HA 0.288 4.838 4.550 -0.000 0.000 0.283 242 Y C 1.803 177.864 175.900 0.268 0.000 1.109 242 Y CA 0.561 58.762 58.100 0.168 0.000 1.246 242 Y CB -0.475 38.044 38.460 0.098 0.000 1.068 242 Y HN 0.002 nan 8.280 nan 0.000 0.552 243 G N 1.164 110.159 108.800 0.324 0.000 2.314 243 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.292 243 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.292 243 G C 0.162 175.224 174.900 0.270 0.000 1.059 243 G CA 0.637 45.898 45.100 0.267 0.000 0.982 243 G HN 0.429 nan 8.290 nan 0.000 0.505 244 D N -0.775 119.751 120.400 0.210 0.000 2.327 244 D HA 0.062 4.702 4.640 -0.000 0.000 0.205 244 D C 2.225 178.450 176.300 -0.126 0.000 0.989 244 D CA 0.685 54.763 54.000 0.130 0.000 0.873 244 D CB 0.000 40.924 40.800 0.207 0.000 0.955 244 D HN 0.506 nan 8.370 nan 0.000 0.515 245 M N 0.536 120.071 119.600 -0.109 0.000 2.086 245 M HA -0.090 4.390 4.480 -0.000 0.000 0.261 245 M C -0.165 175.970 176.300 -0.275 0.000 1.067 245 M CA 1.390 56.575 55.300 -0.193 0.000 1.116 245 M CB 0.128 32.644 32.600 -0.141 0.000 1.348 245 M HN 0.046 nan 8.290 nan 0.000 0.407 246 L N -3.654 117.430 121.223 -0.232 0.000 2.545 246 L HA 0.475 4.815 4.340 -0.000 0.000 0.258 246 L C -1.088 175.769 176.870 -0.022 0.000 0.942 246 L CA -0.897 53.817 54.840 -0.211 0.000 0.855 246 L CB 0.921 42.943 42.059 -0.063 0.000 1.374 246 L HN 0.161 nan 8.230 nan 0.000 0.411 247 F N 0.411 120.508 119.950 0.245 0.000 2.838 247 F HA 0.709 5.236 4.527 -0.000 0.000 0.329 247 F C -0.430 175.573 175.800 0.338 0.000 1.116 247 F CA -1.182 56.970 58.000 0.254 0.000 1.155 247 F CB -0.030 39.099 39.000 0.215 0.000 1.106 247 F HN 0.425 nan 8.300 nan 0.000 0.538 248 F N 1.906 122.102 119.950 0.410 0.000 2.690 248 F HA 0.567 5.094 4.527 -0.000 0.000 0.311 248 F C -2.056 173.909 175.800 0.274 0.000 1.111 248 F CA -1.660 56.495 58.000 0.258 0.000 1.003 248 F CB 1.219 40.359 39.000 0.233 0.000 1.283 248 F HN 0.087 nan 8.300 nan 0.000 0.442 249 Y N 4.664 124.494 120.300 -0.783 0.000 2.521 249 Y HA 0.785 5.335 4.550 -0.000 0.000 0.328 249 Y C -2.509 173.073 175.900 -0.529 0.000 1.151 249 Y CA -1.758 56.091 58.100 -0.418 0.000 1.054 249 Y CB 1.225 39.654 38.460 -0.050 0.000 1.338 249 Y HN 0.601 nan 8.280 nan 0.000 0.453 250 L N 4.294 125.360 121.223 -0.262 0.000 2.464 250 L HA 0.793 5.133 4.340 -0.000 0.000 0.266 250 L C -0.865 175.981 176.870 -0.040 0.000 0.965 250 L CA -1.073 53.599 54.840 -0.280 0.000 0.833 250 L CB 2.559 44.426 42.059 -0.320 0.000 1.296 250 L HN 0.871 nan 8.230 nan 0.000 0.405 251 R N 1.399 121.870 120.500 -0.048 0.000 2.854 251 R HA 0.924 5.264 4.340 -0.000 0.000 0.271 251 R C -0.765 175.521 176.300 -0.023 0.000 0.994 251 R CA -1.117 54.997 56.100 0.023 0.000 0.945 251 R CB 2.222 32.537 30.300 0.025 0.000 1.194 251 R HN 0.568 nan 8.270 nan 0.000 0.476 252 R N 1.070 121.577 120.500 0.011 0.000 3.190 252 R HA 0.080 4.420 4.340 -0.000 0.000 0.244 252 R C -1.603 174.724 176.300 0.044 0.000 1.788 252 R CA -0.217 55.883 56.100 -0.000 0.000 1.160 252 R CB 0.858 31.127 30.300 -0.052 0.000 1.494 252 R HN 0.927 nan 8.270 nan 0.000 0.499 253 E N 3.351 123.596 120.200 0.075 0.000 2.212 253 E HA 0.447 4.797 4.350 -0.000 0.000 0.268 253 E C -1.195 175.457 176.600 0.086 0.000 0.902 253 E CA -0.851 55.611 56.400 0.104 0.000 0.779 253 E CB 2.331 32.131 29.700 0.166 0.000 1.172 253 E HN 0.537 nan 8.360 nan 0.000 0.409 254 Q N 2.710 122.565 119.800 0.092 0.000 2.534 254 Q HA 0.655 4.995 4.340 -0.000 0.000 0.290 254 Q C -0.867 175.199 176.000 0.111 0.000 0.991 254 Q CA -1.144 54.714 55.803 0.092 0.000 0.783 254 Q CB 2.368 31.158 28.738 0.087 0.000 1.470 254 Q HN 0.631 nan 8.270 nan 0.000 0.406 255 M N 0.980 120.658 119.600 0.130 0.000 3.122 255 M HA 0.616 5.096 4.480 -0.000 0.000 0.267 255 M C -2.198 174.213 176.300 0.184 0.000 0.971 255 M CA -0.415 54.959 55.300 0.123 0.000 0.788 255 M CB 1.764 34.395 32.600 0.052 0.000 1.611 255 M HN 1.057 nan 8.290 nan 0.000 0.560 256 F N -0.284 119.678 119.950 0.019 0.000 2.858 256 F HA 0.719 5.246 4.527 -0.000 0.000 0.319 256 F C -1.641 174.154 175.800 -0.007 0.000 1.166 256 F CA -1.097 56.904 58.000 0.001 0.000 0.899 256 F CB 0.412 39.413 39.000 0.000 0.000 1.332 256 F HN 0.381 nan 8.300 nan 0.000 0.461 257 V N 2.010 121.998 119.914 0.123 0.000 2.405 257 V HA 0.413 4.533 4.120 -0.000 0.000 0.264 257 V C 0.884 176.926 176.094 -0.086 0.000 1.048 257 V CA -0.262 61.998 62.300 -0.065 0.000 0.966 257 V CB 0.517 32.328 31.823 -0.020 0.000 1.015 257 V HN 0.972 nan 8.190 nan 0.000 0.477 258 R N 3.176 123.524 120.500 -0.253 0.000 2.055 258 R HA 0.117 4.457 4.340 -0.000 0.000 0.226 258 R C 0.488 176.949 176.300 0.269 0.000 1.135 258 R CA 1.458 57.566 56.100 0.013 0.000 0.959 258 R CB -0.052 30.226 30.300 -0.036 0.000 0.854 258 R HN 0.850 nan 8.270 nan 0.000 0.431 259 H N -2.171 116.752 119.070 -0.245 0.000 2.931 259 H HA 0.523 5.079 4.556 -0.000 0.000 0.331 259 H C -1.257 173.723 175.328 -0.581 0.000 1.273 259 H CA -0.737 55.036 56.048 -0.459 0.000 1.171 259 H CB 1.311 30.631 29.762 -0.735 0.000 1.898 259 H HN -0.028 nan 8.280 nan 0.000 0.562 260 L N 2.029 122.867 121.223 -0.641 0.000 2.377 260 L HA 0.447 4.787 4.340 -0.000 0.000 0.270 260 L C -1.161 175.275 176.870 -0.723 0.000 0.991 260 L CA -0.202 54.304 54.840 -0.555 0.000 0.851 260 L CB 0.511 42.342 42.059 -0.380 0.000 1.218 260 L HN 0.302 nan 8.230 nan 0.000 0.420 261 F N 0.931 120.637 119.950 -0.405 0.000 2.594 261 F HA 0.430 4.957 4.527 -0.000 0.000 0.335 261 F C 0.398 176.157 175.800 -0.070 0.000 1.058 261 F CA -0.739 57.032 58.000 -0.380 0.000 0.981 261 F CB 1.969 40.486 39.000 -0.805 0.000 1.289 261 F HN 0.377 nan 8.300 nan 0.000 0.490 262 N N 0.348 119.279 118.700 0.385 0.000 2.417 262 N HA 0.371 5.111 4.740 -0.000 0.000 0.300 262 N C -1.078 174.705 175.510 0.455 0.000 1.102 262 N CA -0.814 52.483 53.050 0.411 0.000 0.886 262 N CB 1.032 39.702 38.487 0.304 0.000 1.203 262 N HN 0.359 nan 8.380 nan 0.000 0.496 263 R N 1.270 121.992 120.500 0.370 0.000 2.428 263 R HA 0.450 4.790 4.340 -0.000 0.000 0.294 263 R C -0.454 175.916 176.300 0.117 0.000 1.000 263 R CA -0.480 55.764 56.100 0.239 0.000 0.960 263 R CB 1.523 31.912 30.300 0.149 0.000 1.076 263 R HN 0.525 nan 8.270 nan 0.000 0.475 264 A N 0.894 123.757 122.820 0.072 0.000 2.257 264 A HA 0.714 5.034 4.320 -0.000 0.000 0.289 264 A C 0.340 177.930 177.584 0.010 0.000 1.095 264 A CA 0.339 52.399 52.037 0.038 0.000 0.836 264 A CB 0.560 19.576 19.000 0.027 0.000 1.111 264 A HN 0.838 nan 8.150 nan 0.000 0.497 265 G N -0.846 107.958 108.800 0.007 0.000 2.619 265 G HA2 0.351 4.311 3.960 -0.000 0.000 0.686 265 G HA3 0.351 4.311 3.960 -0.000 0.000 0.686 265 G C -0.116 174.781 174.900 -0.006 0.000 1.256 265 G CA -0.109 44.988 45.100 -0.005 0.000 0.826 265 G HN 2.138 nan 8.290 nan 0.000 0.619 266 T N -1.789 112.760 114.554 -0.009 0.000 2.919 266 T HA 0.518 4.868 4.350 -0.000 0.000 0.302 266 T C 0.689 175.378 174.700 -0.018 0.000 1.031 266 T CA -0.127 61.967 62.100 -0.010 0.000 1.127 266 T CB 1.572 70.435 68.868 -0.008 0.000 0.952 266 T HN 1.463 nan 8.240 nan 0.000 0.540 267 V N 4.144 124.043 119.914 -0.025 0.000 2.508 267 V HA 0.359 4.478 4.120 -0.000 0.000 0.281 267 V C 1.686 177.763 176.094 -0.029 0.000 1.041 267 V CA 0.527 62.805 62.300 -0.036 0.000 1.016 267 V CB 0.488 32.279 31.823 -0.053 0.000 0.984 267 V HN 1.198 nan 8.190 nan 0.000 0.478 268 G N 4.533 113.315 108.800 -0.030 0.000 2.496 268 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.214 268 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.214 268 G C 0.395 175.281 174.900 -0.024 0.000 1.234 268 G CA -0.045 45.040 45.100 -0.025 0.000 0.807 268 G HN 0.736 nan 8.290 nan 0.000 0.543 269 E N 1.905 122.088 120.200 -0.029 0.000 2.104 269 E HA 0.364 4.714 4.350 -0.000 0.000 0.278 269 E C 0.201 176.786 176.600 -0.024 0.000 1.127 269 E CA -0.195 56.191 56.400 -0.024 0.000 0.897 269 E CB 0.587 30.271 29.700 -0.026 0.000 1.043 269 E HN 0.354 nan 8.360 nan 0.000 0.410 270 T N -0.661 113.886 114.554 -0.013 0.000 2.860 270 T HA 0.177 4.527 4.350 -0.000 0.000 0.299 270 T C 0.578 175.279 174.700 0.001 0.000 1.045 270 T CA -1.010 61.084 62.100 -0.010 0.000 1.071 270 T CB 0.792 69.665 68.868 0.008 0.000 0.985 270 T HN 0.113 nan 8.240 nan 0.000 0.537 271 V N 3.842 123.752 119.914 -0.008 0.000 2.529 271 V HA 0.178 4.297 4.120 -0.000 0.000 0.292 271 V C -1.791 174.378 176.094 0.126 0.000 1.028 271 V CA -1.375 60.935 62.300 0.017 0.000 1.074 271 V CB -0.197 31.567 31.823 -0.097 0.000 0.958 271 V HN 0.806 nan 8.190 nan 0.000 0.481 272 P HA 0.086 nan 4.420 nan 0.000 0.261 272 P C 0.641 178.051 177.300 0.183 0.000 1.203 272 P CA 0.136 63.306 63.100 0.117 0.000 0.767 272 P CB 0.643 32.388 31.700 0.075 0.000 0.785 273 A N 3.998 126.883 122.820 0.108 0.000 2.234 273 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 273 A C 1.377 178.783 177.584 -0.296 0.000 1.167 273 A CA 1.435 53.379 52.037 -0.155 0.000 0.698 273 A CB -0.663 18.242 19.000 -0.158 0.000 0.779 273 A HN 0.604 nan 8.150 nan 0.000 0.475 274 D N -0.878 119.459 120.400 -0.106 0.000 2.328 274 D HA 0.060 4.699 4.640 -0.000 0.000 0.221 274 D C 1.108 177.379 176.300 -0.048 0.000 1.072 274 D CA 0.022 53.963 54.000 -0.099 0.000 0.850 274 D CB -0.061 40.711 40.800 -0.047 0.000 0.922 274 D HN 0.489 nan 8.370 nan 0.000 0.516 275 L N -0.063 121.181 121.223 0.035 0.000 2.640 275 L HA 0.182 4.522 4.340 -0.000 0.000 0.230 275 L C -0.459 176.547 176.870 0.226 0.000 1.123 275 L CA -0.204 54.714 54.840 0.129 0.000 0.900 275 L CB -0.016 42.153 42.059 0.183 0.000 1.146 275 L HN 0.105 nan 8.230 nan 0.000 0.484 276 Y N -3.165 117.131 120.300 -0.007 0.000 2.677 276 Y HA 0.533 5.083 4.550 -0.000 0.000 0.334 276 Y C -1.067 174.826 175.900 -0.012 0.000 1.196 276 Y CA -1.537 56.557 58.100 -0.010 0.000 1.059 276 Y CB 0.725 39.178 38.460 -0.012 0.000 1.315 276 Y HN -0.233 nan 8.280 nan 0.000 0.455 277 I N 3.472 124.048 120.570 0.010 0.000 2.331 277 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 277 I C -0.238 175.876 176.117 -0.005 0.000 0.998 277 I CA -1.120 60.134 61.300 -0.077 0.000 1.267 277 I CB 1.273 39.263 38.000 -0.017 0.000 1.386 277 I HN 0.490 nan 8.210 nan 0.000 0.476 278 K N 4.722 125.064 120.400 -0.097 0.000 2.477 278 K HA -0.005 4.314 4.320 -0.000 0.000 0.275 278 K C 0.208 176.841 176.600 0.053 0.000 1.054 278 K CA 0.116 56.406 56.287 0.005 0.000 1.135 278 K CB 0.237 32.717 32.500 -0.033 0.000 0.854 278 K HN 0.876 nan 8.250 nan 0.000 0.484 279 G N 2.106 110.962 108.800 0.092 0.000 2.368 279 G HA2 0.195 4.155 3.960 -0.000 0.000 0.320 279 G HA3 0.195 4.155 3.960 -0.000 0.000 0.320 279 G C -0.086 174.829 174.900 0.024 0.000 1.158 279 G CA -0.430 44.694 45.100 0.039 0.000 0.912 279 G HN 0.489 nan 8.290 nan 0.000 0.456 280 T N 0.822 115.388 114.554 0.021 0.000 2.856 280 T HA 0.392 4.742 4.350 -0.000 0.000 0.306 280 T C 0.671 175.392 174.700 0.035 0.000 1.062 280 T CA 1.007 63.124 62.100 0.029 0.000 1.083 280 T CB -0.051 68.834 68.868 0.029 0.000 0.984 280 T HN 1.218 nan 8.240 nan 0.000 0.542 281 T N 1.461 116.048 114.554 0.054 0.000 1.309 281 T HA 0.271 4.621 4.350 -0.000 0.000 0.685 281 T C -0.005 174.751 174.700 0.094 0.000 0.967 281 T CA 0.841 62.996 62.100 0.093 0.000 3.630 281 T CB -1.760 67.184 68.868 0.127 0.000 2.070 281 T HN 1.834 nan 8.240 nan 0.000 0.393 282 G N 1.894 110.762 108.800 0.113 0.000 2.326 282 G HA2 0.353 4.313 3.960 -0.000 0.000 0.478 282 G HA3 0.353 4.313 3.960 -0.000 0.000 0.478 282 G C -0.155 174.790 174.900 0.076 0.000 1.551 282 G CA -0.106 45.065 45.100 0.119 0.000 0.946 282 G HN 0.756 nan 8.290 nan 0.000 0.671 283 T N 1.811 116.421 114.554 0.094 0.000 3.251 283 T HA 0.378 4.728 4.350 -0.000 0.000 0.259 283 T C 0.656 175.368 174.700 0.020 0.000 0.998 283 T CA 0.330 62.465 62.100 0.059 0.000 0.905 283 T CB -0.385 68.523 68.868 0.068 0.000 1.067 283 T HN 1.719 nan 8.240 nan 0.000 0.569 284 L N 3.139 124.346 121.223 -0.027 0.000 3.212 284 L HA -0.114 4.226 4.340 -0.000 0.000 0.540 284 L C -1.811 175.024 176.870 -0.058 0.000 1.001 284 L CA -0.513 54.262 54.840 -0.109 0.000 1.266 284 L CB -0.485 41.471 42.059 -0.171 0.000 1.138 284 L HN 0.174 nan 8.230 nan 0.000 0.581 285 P HA 0.075 nan 4.420 nan 0.000 0.269 285 P C -0.070 177.221 177.300 -0.014 0.000 1.217 285 P CA 0.025 63.155 63.100 0.049 0.000 0.783 285 P CB 0.638 32.389 31.700 0.086 0.000 0.898 286 S N 0.365 116.071 115.700 0.010 0.000 2.569 286 S HA 0.084 4.554 4.470 -0.000 0.000 0.274 286 S C 0.519 175.007 174.600 -0.186 0.000 1.353 286 S CA 0.538 58.707 58.200 -0.052 0.000 1.023 286 S CB -0.549 62.655 63.200 0.008 0.000 0.876 286 S HN 0.548 nan 8.310 nan 0.000 0.540 287 T N 1.590 115.939 114.554 -0.341 0.000 3.403 287 T HA 0.168 4.518 4.350 -0.000 0.000 0.308 287 T C -0.233 174.005 174.700 -0.769 0.000 0.952 287 T CA -0.130 61.519 62.100 -0.752 0.000 0.970 287 T CB -0.116 68.495 68.868 -0.430 0.000 1.189 287 T HN 0.680 nan 8.240 nan 0.000 0.528 288 S N 1.748 117.218 115.700 -0.383 0.000 2.642 288 S HA 0.501 4.971 4.470 -0.000 0.000 0.309 288 S C -0.425 174.212 174.600 0.061 0.000 1.125 288 S CA -0.763 57.359 58.200 -0.130 0.000 1.055 288 S CB -0.429 62.761 63.200 -0.017 0.000 1.157 288 S HN 0.404 nan 8.310 nan 0.000 0.513 289 Y N 2.419 122.817 120.300 0.164 0.000 2.335 289 Y HA 0.610 5.160 4.550 -0.000 0.000 0.323 289 Y C 0.054 176.144 175.900 0.317 0.000 1.224 289 Y CA -1.507 56.705 58.100 0.188 0.000 1.241 289 Y CB 1.150 39.661 38.460 0.085 0.000 1.235 289 Y HN 0.751 nan 8.280 nan 0.000 0.492 290 F N 2.347 122.479 119.950 0.304 0.000 2.604 290 F HA 0.639 5.166 4.527 -0.000 0.000 0.316 290 F C -3.472 172.444 175.800 0.193 0.000 1.136 290 F CA -2.609 55.538 58.000 0.244 0.000 0.989 290 F CB 1.751 40.943 39.000 0.320 0.000 1.258 290 F HN 0.076 nan 8.300 nan 0.000 0.451 291 P HA 0.331 nan 4.420 nan 0.000 0.285 291 P C -1.100 176.151 177.300 -0.081 0.000 1.269 291 P CA -0.287 62.753 63.100 -0.100 0.000 0.844 291 P CB 2.257 33.896 31.700 -0.102 0.000 1.094 292 T N 3.941 118.448 114.554 -0.080 0.000 2.758 292 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 292 T C -2.135 172.499 174.700 -0.110 0.000 0.981 292 T CA -1.351 60.758 62.100 0.015 0.000 0.965 292 T CB 0.961 69.883 68.868 0.090 0.000 0.927 292 T HN 0.407 nan 8.240 nan 0.000 0.448 293 P HA 0.459 nan 4.420 nan 0.000 0.278 293 P C -0.836 176.341 177.300 -0.204 0.000 1.266 293 P CA -0.623 62.369 63.100 -0.180 0.000 0.807 293 P CB 1.158 32.788 31.700 -0.116 0.000 1.094 294 S N -1.123 114.349 115.700 -0.380 0.000 2.592 294 S HA 0.507 4.977 4.470 -0.000 0.000 0.275 294 S C 0.714 175.216 174.600 -0.163 0.000 1.169 294 S CA -0.293 57.696 58.200 -0.351 0.000 0.958 294 S CB 0.322 63.108 63.200 -0.689 0.000 1.095 294 S HN 0.535 nan 8.310 nan 0.000 0.471 295 G N 1.920 110.746 108.800 0.044 0.000 2.880 295 G HA2 0.314 4.274 3.960 -0.000 0.000 0.209 295 G HA3 0.314 4.274 3.960 -0.000 0.000 0.209 295 G C 0.882 175.900 174.900 0.195 0.000 1.157 295 G CA 0.933 46.107 45.100 0.124 0.000 0.779 295 G HN 1.692 nan 8.290 nan 0.000 0.539 296 S N -1.142 114.711 115.700 0.255 0.000 4.158 296 S HA -0.290 4.180 4.470 -0.000 0.000 0.604 296 S C 0.371 175.072 174.600 0.168 0.000 1.867 296 S CA 1.457 59.852 58.200 0.324 0.000 4.249 296 S CB -1.403 61.997 63.200 0.333 0.000 0.204 296 S HN 0.802 nan 8.310 nan 0.000 0.457 297 M N 2.337 122.011 119.600 0.123 0.000 2.530 297 M HA 0.631 5.111 4.480 -0.000 0.000 0.307 297 M C -1.014 175.327 176.300 0.068 0.000 1.161 297 M CA -0.535 54.814 55.300 0.081 0.000 0.903 297 M CB 1.951 34.585 32.600 0.057 0.000 1.711 297 M HN 0.770 nan 8.290 nan 0.000 0.451 298 V N 1.384 121.333 119.914 0.059 0.000 2.472 298 V HA 0.920 5.040 4.120 -0.000 0.000 0.290 298 V C -0.305 175.810 176.094 0.036 0.000 1.037 298 V CA -0.324 62.006 62.300 0.050 0.000 0.908 298 V CB 0.926 32.783 31.823 0.057 0.000 0.985 298 V HN 0.938 nan 8.190 nan 0.000 0.454 299 T N -0.277 114.294 114.554 0.028 0.000 2.993 299 T HA 0.382 4.732 4.350 -0.000 0.000 0.312 299 T C 0.776 175.485 174.700 0.016 0.000 1.115 299 T CA 0.158 62.270 62.100 0.020 0.000 1.027 299 T CB 1.606 70.483 68.868 0.014 0.000 1.116 299 T HN 0.625 nan 8.240 nan 0.000 0.464 300 S N 2.162 117.871 115.700 0.015 0.000 2.393 300 S HA -0.240 4.230 4.470 -0.000 0.000 0.234 300 S C 1.591 176.195 174.600 0.007 0.000 1.064 300 S CA 2.195 60.403 58.200 0.013 0.000 1.088 300 S CB -0.621 62.584 63.200 0.009 0.000 0.939 300 S HN 0.886 nan 8.310 nan 0.000 0.448 301 D N 1.835 122.237 120.400 0.004 0.000 2.116 301 D HA -0.138 4.502 4.640 -0.000 0.000 0.193 301 D C 2.287 178.583 176.300 -0.006 0.000 0.998 301 D CA 1.368 55.368 54.000 -0.000 0.000 0.836 301 D CB -0.513 40.287 40.800 -0.000 0.000 0.951 301 D HN 0.470 nan 8.370 nan 0.000 0.449 302 A N 1.637 124.453 122.820 -0.007 0.000 1.869 302 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 302 A C 1.046 178.605 177.584 -0.043 0.000 1.203 302 A CA 1.106 53.132 52.037 -0.019 0.000 0.638 302 A CB -0.685 18.311 19.000 -0.007 0.000 0.831 302 A HN 0.174 nan 8.150 nan 0.000 0.450 303 Q N -0.673 119.103 119.800 -0.041 0.000 3.606 303 Q HA -0.158 4.182 4.340 -0.000 0.000 0.396 303 Q C 0.593 176.517 176.000 -0.128 0.000 1.067 303 Q CA 0.967 56.726 55.803 -0.074 0.000 1.141 303 Q CB -0.054 28.679 28.738 -0.008 0.000 1.221 303 Q HN 0.739 nan 8.270 nan 0.000 0.542 304 I N 2.117 122.496 120.570 -0.318 0.000 3.854 304 I HA 0.072 4.242 4.170 -0.000 0.000 0.312 304 I C 0.042 176.046 176.117 -0.187 0.000 1.273 304 I CA 0.062 61.173 61.300 -0.316 0.000 1.298 304 I CB 0.413 38.075 38.000 -0.562 0.000 1.071 304 I HN 0.370 nan 8.210 nan 0.000 0.428 305 F N 1.157 121.184 119.950 0.130 0.000 2.348 305 F HA 0.294 4.821 4.527 -0.000 0.000 0.308 305 F C 1.391 177.176 175.800 -0.025 0.000 1.175 305 F CA -0.367 57.686 58.000 0.088 0.000 1.080 305 F CB 0.099 39.135 39.000 0.060 0.000 1.341 305 F HN -0.011 nan 8.300 nan 0.000 0.518 306 N N -0.851 117.929 118.700 0.132 0.000 2.828 306 N HA -0.221 4.519 4.740 -0.000 0.000 0.248 306 N C -1.288 174.151 175.510 -0.118 0.000 1.044 306 N CA 0.721 53.749 53.050 -0.037 0.000 0.851 306 N CB -0.875 37.614 38.487 0.003 0.000 1.136 306 N HN 0.410 nan 8.380 nan 0.000 0.572 307 K N 0.540 120.823 120.400 -0.196 0.000 2.259 307 K HA 0.437 4.757 4.320 -0.000 0.000 0.252 307 K C -2.637 173.602 176.600 -0.602 0.000 0.936 307 K CA -1.819 54.315 56.287 -0.255 0.000 0.810 307 K CB 1.923 34.373 32.500 -0.083 0.000 1.143 307 K HN -0.112 nan 8.250 nan 0.000 0.427 308 P HA 0.041 nan 4.420 nan 0.000 0.281 308 P C -1.290 175.439 177.300 -0.952 0.000 1.252 308 P CA -0.015 62.574 63.100 -0.850 0.000 0.778 308 P CB 0.292 31.552 31.700 -0.732 0.000 0.895 309 Y N 1.602 121.439 120.300 -0.771 0.000 2.328 309 Y HA 0.320 4.870 4.550 -0.000 0.000 0.337 309 Y C 0.099 175.546 175.900 -0.755 0.000 1.008 309 Y CA -0.879 56.811 58.100 -0.683 0.000 1.129 309 Y CB 1.230 39.228 38.460 -0.769 0.000 1.185 309 Y HN 0.361 nan 8.280 nan 0.000 0.476 310 W N 5.442 126.755 121.300 0.021 0.000 2.338 310 W HA 0.453 5.113 4.660 -0.000 0.000 0.315 310 W C -0.844 175.679 176.519 0.006 0.000 1.005 310 W CA -1.022 56.327 57.345 0.007 0.000 1.380 310 W CB 0.991 30.478 29.460 0.044 0.000 1.235 310 W HN 0.406 nan 8.180 nan 0.000 0.409 311 L N 2.250 123.561 121.223 0.146 0.000 2.376 311 L HA 0.190 4.530 4.340 -0.000 0.000 0.250 311 L C 1.606 178.566 176.870 0.150 0.000 1.335 311 L CA -0.185 54.737 54.840 0.136 0.000 1.214 311 L CB -0.292 41.801 42.059 0.057 0.000 1.395 311 L HN 0.565 nan 8.230 nan 0.000 0.424 312 Q N 0.795 120.704 119.800 0.182 0.000 2.046 312 Q HA -0.027 4.313 4.340 -0.000 0.000 0.200 312 Q C 0.241 176.299 176.000 0.096 0.000 0.975 312 Q CA 0.876 56.758 55.803 0.132 0.000 0.836 312 Q CB -0.119 28.684 28.738 0.108 0.000 0.896 312 Q HN 0.569 nan 8.270 nan 0.000 0.428 313 R N 0.159 120.722 120.500 0.105 0.000 2.670 313 R HA 0.650 4.990 4.340 -0.000 0.000 0.289 313 R C -1.084 175.284 176.300 0.113 0.000 0.965 313 R CA 0.104 56.256 56.100 0.086 0.000 0.899 313 R CB 1.970 32.312 30.300 0.070 0.000 1.173 313 R HN 0.358 nan 8.270 nan 0.000 0.456 314 A N 1.374 124.254 122.820 0.100 0.000 2.242 314 A HA 0.260 4.580 4.320 -0.000 0.000 0.304 314 A C 0.679 178.358 177.584 0.158 0.000 1.100 314 A CA -0.359 51.771 52.037 0.156 0.000 0.860 314 A CB 0.652 19.739 19.000 0.146 0.000 1.168 314 A HN 0.846 nan 8.150 nan 0.000 0.503 315 Q N 0.261 120.189 119.800 0.213 0.000 2.033 315 Q HA 0.243 4.582 4.340 -0.000 0.000 0.196 315 Q C 1.055 177.120 176.000 0.108 0.000 0.970 315 Q CA 1.371 57.269 55.803 0.159 0.000 0.828 315 Q CB -0.918 27.942 28.738 0.204 0.000 0.895 315 Q HN 0.775 nan 8.270 nan 0.000 0.440 316 G N -0.834 108.061 108.800 0.158 0.000 2.494 316 G HA2 0.179 4.139 3.960 -0.000 0.000 0.270 316 G HA3 0.179 4.139 3.960 -0.000 0.000 0.270 316 G C -0.226 174.704 174.900 0.051 0.000 1.423 316 G CA 0.037 45.200 45.100 0.105 0.000 1.055 316 G HN 0.430 nan 8.290 nan 0.000 0.536 317 H N -0.802 118.396 119.070 0.213 0.000 2.352 317 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 317 H C 1.259 176.756 175.328 0.281 0.000 1.097 317 H CA 1.251 57.445 56.048 0.243 0.000 1.311 317 H CB 0.135 30.064 29.762 0.278 0.000 1.377 317 H HN 0.250 nan 8.280 nan 0.000 0.504 318 N N 1.550 120.517 118.700 0.444 0.000 2.408 318 N HA -0.068 4.672 4.740 -0.000 0.000 0.257 318 N C -0.791 174.868 175.510 0.248 0.000 1.064 318 N CA -0.025 53.265 53.050 0.399 0.000 0.952 318 N CB 0.219 39.023 38.487 0.529 0.000 1.093 318 N HN 0.206 nan 8.380 nan 0.000 0.490 319 N N 2.673 121.420 118.700 0.078 0.000 2.968 319 N HA 0.116 4.856 4.740 -0.000 0.000 0.271 319 N C 0.486 175.840 175.510 -0.260 0.000 1.174 319 N CA 0.118 53.138 53.050 -0.049 0.000 1.096 319 N CB -0.453 38.022 38.487 -0.020 0.000 1.403 319 N HN 0.782 nan 8.380 nan 0.000 0.522 320 G N 2.703 111.087 108.800 -0.693 0.000 2.422 320 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.301 320 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.301 320 G C 0.264 174.893 174.900 -0.452 0.000 0.981 320 G CA -0.022 44.458 45.100 -1.035 0.000 0.994 320 G HN 0.552 nan 8.290 nan 0.000 0.514 321 I N 0.028 120.374 120.570 -0.373 0.000 2.322 321 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 321 I C 0.821 176.636 176.117 -0.503 0.000 1.060 321 I CA -0.646 60.320 61.300 -0.558 0.000 1.309 321 I CB 0.720 38.090 38.000 -1.050 0.000 1.415 321 I HN 0.101 nan 8.210 nan 0.000 0.492 322 C N 5.835 124.976 119.300 -0.265 0.000 2.861 322 C HA 0.179 4.639 4.460 -0.000 0.000 0.542 322 C C 0.623 175.604 174.990 -0.016 0.000 1.074 322 C CA -1.110 57.883 59.018 -0.043 0.000 1.232 322 C CB -2.318 25.419 27.740 -0.004 0.000 1.433 322 C HN 0.649 nan 8.230 nan 0.000 0.606 323 W N 1.006 122.367 121.300 0.101 0.000 2.293 323 W HA 0.168 4.828 4.660 -0.000 0.000 0.342 323 W C 1.329 177.846 176.519 -0.003 0.000 1.274 323 W CA 0.631 57.986 57.345 0.018 0.000 1.290 323 W CB 0.147 29.590 29.460 -0.029 0.000 1.176 323 W HN 0.684 nan 8.180 nan 0.000 0.570 324 S N 1.928 117.771 115.700 0.238 0.000 3.695 324 S HA -0.275 4.195 4.470 -0.000 0.000 0.310 324 S C 0.055 174.714 174.600 0.099 0.000 1.166 324 S CA 0.613 58.878 58.200 0.108 0.000 0.882 324 S CB -1.885 61.370 63.200 0.091 0.000 0.949 324 S HN 0.743 nan 8.310 nan 0.000 0.540 325 N N 0.486 119.248 118.700 0.103 0.000 2.701 325 N HA -0.215 4.525 4.740 -0.000 0.000 0.257 325 N C -0.075 175.419 175.510 -0.026 0.000 0.969 325 N CA 1.543 54.611 53.050 0.031 0.000 0.786 325 N CB -0.562 37.937 38.487 0.020 0.000 0.917 325 N HN 0.792 nan 8.380 nan 0.000 0.541 326 Q N -0.656 119.151 119.800 0.011 0.000 2.496 326 Q HA 0.788 5.128 4.340 -0.000 0.000 0.286 326 Q C -0.628 175.357 176.000 -0.024 0.000 1.103 326 Q CA -0.708 55.084 55.803 -0.017 0.000 0.813 326 Q CB 2.381 31.171 28.738 0.088 0.000 1.444 326 Q HN 0.200 nan 8.270 nan 0.000 0.443 327 L N 1.160 122.279 121.223 -0.174 0.000 2.612 327 L HA 0.492 4.832 4.340 -0.000 0.000 0.256 327 L C -1.835 174.802 176.870 -0.389 0.000 0.949 327 L CA -0.525 54.261 54.840 -0.089 0.000 0.867 327 L CB 1.925 43.907 42.059 -0.127 0.000 1.417 327 L HN 0.623 nan 8.230 nan 0.000 0.414 328 F N 1.818 121.736 119.950 -0.054 0.000 2.518 328 F HA 0.553 5.080 4.527 -0.000 0.000 0.323 328 F C -0.151 175.652 175.800 0.005 0.000 1.129 328 F CA -0.671 57.274 58.000 -0.092 0.000 0.920 328 F CB 2.176 41.049 39.000 -0.212 0.000 1.160 328 F HN -0.104 nan 8.300 nan 0.000 0.440 329 V N 2.891 122.909 119.914 0.173 0.000 2.376 329 V HA 0.420 4.539 4.120 -0.000 0.000 0.287 329 V C -0.460 175.781 176.094 0.245 0.000 1.015 329 V CA -0.611 61.849 62.300 0.266 0.000 0.834 329 V CB 1.642 33.663 31.823 0.330 0.000 1.001 329 V HN 0.780 nan 8.190 nan 0.000 0.428 330 T N 4.512 119.189 114.554 0.206 0.000 2.767 330 T HA 0.675 5.025 4.350 -0.000 0.000 0.284 330 T C -0.394 174.426 174.700 0.200 0.000 0.973 330 T CA -0.476 61.716 62.100 0.152 0.000 0.996 330 T CB 1.717 70.653 68.868 0.114 0.000 0.927 330 T HN 0.311 nan 8.240 nan 0.000 0.456 331 V N 3.905 123.906 119.914 0.145 0.000 2.623 331 V HA 0.480 4.600 4.120 -0.000 0.000 0.304 331 V C -0.660 175.503 176.094 0.115 0.000 1.054 331 V CA -0.733 61.671 62.300 0.173 0.000 0.882 331 V CB 2.145 34.054 31.823 0.143 0.000 1.002 331 V HN 0.754 nan 8.190 nan 0.000 0.424 332 V N 3.634 123.648 119.914 0.167 0.000 2.540 332 V HA 0.634 4.754 4.120 -0.000 0.000 0.302 332 V C -0.910 175.358 176.094 0.291 0.000 1.035 332 V CA -0.441 61.899 62.300 0.067 0.000 0.873 332 V CB 1.998 33.704 31.823 -0.195 0.000 0.992 332 V HN 0.989 nan 8.190 nan 0.000 0.428 333 D N 2.342 122.905 120.400 0.272 0.000 2.323 333 D HA 0.211 4.851 4.640 -0.000 0.000 0.242 333 D C 0.905 177.359 176.300 0.256 0.000 1.347 333 D CA 0.058 54.284 54.000 0.375 0.000 0.988 333 D CB 1.590 42.735 40.800 0.574 0.000 1.314 333 D HN 0.572 nan 8.370 nan 0.000 0.564 334 T N -0.525 114.155 114.554 0.209 0.000 3.163 334 T HA -0.089 4.261 4.350 -0.000 0.000 0.260 334 T C 1.749 176.548 174.700 0.166 0.000 1.156 334 T CA 1.069 63.282 62.100 0.189 0.000 1.072 334 T CB -0.324 68.651 68.868 0.179 0.000 0.937 334 T HN 0.403 nan 8.240 nan 0.000 0.528 335 T N 0.441 115.096 114.554 0.167 0.000 2.995 335 T HA 0.025 4.375 4.350 -0.000 0.000 0.269 335 T C 1.618 176.383 174.700 0.108 0.000 1.091 335 T CA 0.130 62.306 62.100 0.127 0.000 1.128 335 T CB -0.285 68.655 68.868 0.120 0.000 0.891 335 T HN 0.494 nan 8.240 nan 0.000 0.492 336 R N 1.536 122.113 120.500 0.128 0.000 2.633 336 R HA 0.269 4.609 4.340 -0.000 0.000 0.348 336 R C 1.407 177.794 176.300 0.145 0.000 1.100 336 R CA 0.317 56.483 56.100 0.110 0.000 1.068 336 R CB 0.267 30.627 30.300 0.100 0.000 1.351 336 R HN 0.504 nan 8.270 nan 0.000 0.575 337 S N -0.155 115.631 115.700 0.143 0.000 2.803 337 S HA -0.049 4.421 4.470 -0.000 0.000 0.226 337 S C 0.734 175.225 174.600 -0.180 0.000 0.962 337 S CA -0.305 57.990 58.200 0.159 0.000 0.968 337 S CB -0.605 62.709 63.200 0.191 0.000 0.786 337 S HN 0.159 nan 8.310 nan 0.000 0.527 338 T N 2.324 116.749 114.554 -0.214 0.000 2.930 338 T HA 0.248 4.598 4.350 -0.000 0.000 0.306 338 T C -0.245 174.134 174.700 -0.536 0.000 1.045 338 T CA -0.603 61.339 62.100 -0.263 0.000 1.134 338 T CB 0.092 68.874 68.868 -0.143 0.000 0.961 338 T HN 0.518 nan 8.240 nan 0.000 0.545 339 N N 2.409 120.885 118.700 -0.374 0.000 2.407 339 N HA 0.463 5.203 4.740 -0.000 0.000 0.277 339 N C -0.027 175.357 175.510 -0.209 0.000 0.995 339 N CA -0.851 51.992 53.050 -0.345 0.000 0.903 339 N CB 1.454 39.755 38.487 -0.310 0.000 1.218 339 N HN 0.666 nan 8.380 nan 0.000 0.487 340 M N -0.189 119.315 119.600 -0.161 0.000 2.409 340 M HA 0.552 5.031 4.480 -0.000 0.000 0.329 340 M C -0.543 175.706 176.300 -0.084 0.000 1.180 340 M CA -0.599 54.643 55.300 -0.096 0.000 1.053 340 M CB 1.332 33.894 32.600 -0.063 0.000 1.586 340 M HN 0.376 nan 8.290 nan 0.000 0.461 341 S N 1.483 117.153 115.700 -0.051 0.000 2.454 341 S HA 0.701 5.171 4.470 -0.000 0.000 0.306 341 S C -0.321 174.290 174.600 0.017 0.000 1.100 341 S CA -0.850 57.335 58.200 -0.025 0.000 1.087 341 S CB 1.488 64.674 63.200 -0.023 0.000 1.019 341 S HN 0.832 nan 8.310 nan 0.000 0.480 342 V N 0.063 120.017 119.914 0.067 0.000 2.417 342 V HA 0.761 4.881 4.120 -0.000 0.000 0.291 342 V C -0.161 176.043 176.094 0.182 0.000 1.024 342 V CA -0.881 61.475 62.300 0.093 0.000 0.861 342 V CB 0.342 32.203 31.823 0.063 0.000 0.985 342 V HN 1.138 nan 8.190 nan 0.000 0.436 343 C N 4.832 124.224 119.300 0.153 0.000 2.340 343 C HA 0.820 5.280 4.460 -0.000 0.000 0.323 343 C C 0.201 175.334 174.990 0.239 0.000 1.260 343 C CA 0.227 59.368 59.018 0.205 0.000 1.464 343 C CB 0.566 28.385 27.740 0.131 0.000 2.156 343 C HN 1.166 nan 8.230 nan 0.000 0.476 344 S N 3.365 119.243 115.700 0.296 0.000 2.532 344 S HA 0.882 5.352 4.470 -0.000 0.000 0.301 344 S C -0.218 174.524 174.600 0.236 0.000 1.083 344 S CA -0.163 58.175 58.200 0.231 0.000 1.025 344 S CB 1.528 64.851 63.200 0.205 0.000 1.056 344 S HN 1.301 nan 8.310 nan 0.000 0.494 345 A N 2.566 125.447 122.820 0.101 0.000 2.311 345 A HA 0.682 5.002 4.320 -0.000 0.000 0.334 345 A C 0.566 178.068 177.584 -0.138 0.000 1.139 345 A CA -0.586 51.363 52.037 -0.147 0.000 0.830 345 A CB 1.046 19.905 19.000 -0.234 0.000 1.234 345 A HN 0.731 nan 8.150 nan 0.000 0.483 346 V N 0.699 120.473 119.914 -0.234 0.000 3.307 346 V HA 0.134 4.254 4.120 -0.000 0.000 0.253 346 V C 0.564 176.581 176.094 -0.127 0.000 1.149 346 V CA 1.570 63.790 62.300 -0.134 0.000 1.112 346 V CB -0.225 31.523 31.823 -0.124 0.000 0.777 346 V HN 1.097 nan 8.190 nan 0.000 0.464 347 S N -1.160 114.432 115.700 -0.181 0.000 2.582 347 S HA 0.189 4.659 4.470 -0.000 0.000 0.287 347 S C 0.059 174.571 174.600 -0.145 0.000 1.146 347 S CA 0.133 58.258 58.200 -0.125 0.000 0.941 347 S CB 1.377 64.515 63.200 -0.103 0.000 1.115 347 S HN 0.276 nan 8.310 nan 0.000 0.458 348 S N 1.090 116.737 115.700 -0.087 0.000 2.763 348 S HA 0.120 4.589 4.470 -0.000 0.000 0.237 348 S C 1.309 175.888 174.600 -0.035 0.000 0.966 348 S CA 0.213 58.379 58.200 -0.057 0.000 1.017 348 S CB -0.770 62.419 63.200 -0.019 0.000 0.780 348 S HN 1.222 nan 8.310 nan 0.000 0.476 349 S N 0.396 116.067 115.700 -0.048 0.000 2.496 349 S HA 0.062 4.532 4.470 -0.000 0.000 0.224 349 S C 0.294 174.878 174.600 -0.026 0.000 0.996 349 S CA -0.250 57.931 58.200 -0.032 0.000 0.927 349 S CB -0.314 62.865 63.200 -0.034 0.000 0.774 349 S HN 0.528 nan 8.310 nan 0.000 0.524 350 D N 2.026 122.403 120.400 -0.040 0.000 2.354 350 D HA 0.330 4.970 4.640 -0.000 0.000 0.247 350 D C 0.783 177.092 176.300 0.014 0.000 1.138 350 D CA 0.241 54.228 54.000 -0.022 0.000 0.958 350 D CB 1.545 42.316 40.800 -0.050 0.000 1.144 350 D HN 0.416 nan 8.370 nan 0.000 0.458 351 S N -1.617 114.101 115.700 0.030 0.000 2.632 351 S HA 0.121 4.591 4.470 -0.000 0.000 0.237 351 S C 0.380 175.027 174.600 0.077 0.000 1.037 351 S CA -0.267 57.964 58.200 0.051 0.000 1.009 351 S CB 0.421 63.644 63.200 0.037 0.000 0.974 351 S HN 0.327 nan 8.310 nan 0.000 0.544 352 T N 2.020 116.621 114.554 0.078 0.000 2.863 352 T HA 0.431 4.781 4.350 -0.000 0.000 0.285 352 T C -1.463 173.320 174.700 0.140 0.000 1.009 352 T CA -0.433 61.731 62.100 0.107 0.000 0.989 352 T CB 1.176 70.088 68.868 0.073 0.000 1.004 352 T HN 0.286 nan 8.240 nan 0.000 0.455 353 Y N 3.228 123.594 120.300 0.110 0.000 2.496 353 Y HA 0.327 4.877 4.550 -0.000 0.000 0.334 353 Y C 0.181 176.176 175.900 0.158 0.000 1.080 353 Y CA 0.225 58.427 58.100 0.170 0.000 1.355 353 Y CB 0.170 38.679 38.460 0.081 0.000 1.193 353 Y HN 0.423 nan 8.280 nan 0.000 0.523 354 K N 5.441 125.650 120.400 -0.318 0.000 2.601 354 K HA 0.182 4.502 4.320 -0.000 0.000 0.249 354 K C 0.191 176.632 176.600 -0.265 0.000 0.966 354 K CA -0.636 55.529 56.287 -0.203 0.000 0.827 354 K CB 1.471 33.916 32.500 -0.092 0.000 1.178 354 K HN 0.700 nan 8.250 nan 0.000 0.437 355 N N 1.405 119.987 118.700 -0.196 0.000 2.132 355 N HA -0.232 4.508 4.740 -0.000 0.000 0.191 355 N C 0.786 176.312 175.510 0.026 0.000 1.015 355 N CA 1.438 54.465 53.050 -0.038 0.000 0.864 355 N CB 0.071 38.587 38.487 0.048 0.000 1.006 355 N HN 0.543 nan 8.380 nan 0.000 0.430 356 D N 0.221 120.610 120.400 -0.017 0.000 2.190 356 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 356 D C 1.112 177.371 176.300 -0.068 0.000 0.992 356 D CA 0.933 54.916 54.000 -0.029 0.000 0.854 356 D CB -0.356 40.419 40.800 -0.042 0.000 0.936 356 D HN 0.292 nan 8.370 nan 0.000 0.462 357 N N -0.959 117.654 118.700 -0.145 0.000 2.521 357 N HA -0.028 4.712 4.740 -0.000 0.000 0.188 357 N C -0.906 174.211 175.510 -0.655 0.000 1.146 357 N CA 0.212 53.015 53.050 -0.411 0.000 0.893 357 N CB 0.125 38.283 38.487 -0.547 0.000 0.975 357 N HN -0.057 nan 8.380 nan 0.000 0.451 358 F N -0.891 119.009 119.950 -0.083 0.000 2.613 358 F HA 0.453 4.979 4.527 -0.000 0.000 0.310 358 F C -0.221 175.563 175.800 -0.026 0.000 1.085 358 F CA -1.043 56.937 58.000 -0.033 0.000 0.945 358 F CB 1.706 40.692 39.000 -0.023 0.000 1.298 358 F HN -0.424 nan 8.300 nan 0.000 0.455 359 K N 1.989 122.518 120.400 0.215 0.000 2.535 359 K HA 0.296 4.616 4.320 -0.000 0.000 0.253 359 K C -1.040 175.564 176.600 0.007 0.000 0.953 359 K CA -0.753 55.557 56.287 0.039 0.000 0.863 359 K CB 1.650 34.176 32.500 0.042 0.000 1.111 359 K HN 0.508 nan 8.250 nan 0.000 0.431 360 E N 2.429 122.573 120.200 -0.093 0.000 2.313 360 E HA 0.186 4.536 4.350 -0.000 0.000 0.276 360 E C -0.730 175.731 176.600 -0.232 0.000 1.031 360 E CA 0.061 56.430 56.400 -0.050 0.000 0.857 360 E CB 0.933 30.619 29.700 -0.024 0.000 1.040 360 E HN 0.367 nan 8.360 nan 0.000 0.408 361 Y N 0.434 120.746 120.300 0.020 0.000 2.609 361 Y HA 0.445 4.995 4.550 -0.000 0.000 0.342 361 Y C -0.054 175.790 175.900 -0.094 0.000 1.058 361 Y CA -0.845 57.256 58.100 0.001 0.000 1.055 361 Y CB 1.674 40.146 38.460 0.020 0.000 1.292 361 Y HN 0.253 nan 8.280 nan 0.000 0.476 362 L N 2.913 124.098 121.223 -0.064 0.000 2.346 362 L HA 0.702 5.042 4.340 -0.000 0.000 0.276 362 L C -0.801 175.854 176.870 -0.359 0.000 1.006 362 L CA -0.942 53.698 54.840 -0.333 0.000 0.817 362 L CB 1.626 43.247 42.059 -0.729 0.000 1.272 362 L HN 0.539 nan 8.230 nan 0.000 0.421 363 R N 1.361 121.715 120.500 -0.243 0.000 2.626 363 R HA 0.404 4.743 4.340 -0.000 0.000 0.274 363 R C -1.576 174.686 176.300 -0.064 0.000 1.031 363 R CA -0.867 55.151 56.100 -0.136 0.000 0.898 363 R CB 2.137 32.404 30.300 -0.055 0.000 1.222 363 R HN 0.681 nan 8.270 nan 0.000 0.455 364 H N -0.391 118.618 119.070 -0.101 0.000 2.589 364 H HA 0.623 5.179 4.556 -0.000 0.000 0.351 364 H C -0.548 174.787 175.328 0.010 0.000 1.074 364 H CA -0.747 55.274 56.048 -0.045 0.000 1.203 364 H CB 1.959 31.698 29.762 -0.038 0.000 1.558 364 H HN 0.757 nan 8.280 nan 0.000 0.522 365 G N 3.530 112.569 108.800 0.398 0.000 2.422 365 G HA2 0.247 4.207 3.960 -0.000 0.000 0.317 365 G HA3 0.247 4.207 3.960 -0.000 0.000 0.317 365 G C -0.911 174.118 174.900 0.216 0.000 1.210 365 G CA -0.479 44.753 45.100 0.220 0.000 0.930 365 G HN 0.522 nan 8.290 nan 0.000 0.468 366 E N 0.724 121.012 120.200 0.147 0.000 2.231 366 E HA 0.396 4.746 4.350 -0.000 0.000 0.277 366 E C -0.412 176.281 176.600 0.156 0.000 0.999 366 E CA -0.440 56.050 56.400 0.149 0.000 0.827 366 E CB 1.588 31.457 29.700 0.282 0.000 1.101 366 E HN 0.586 nan 8.360 nan 0.000 0.393 367 E N 2.816 123.001 120.200 -0.026 0.000 2.210 367 E HA 0.335 4.685 4.350 -0.000 0.000 0.266 367 E C -1.321 175.094 176.600 -0.309 0.000 0.883 367 E CA -0.599 55.773 56.400 -0.046 0.000 0.761 367 E CB 0.786 30.462 29.700 -0.040 0.000 1.156 367 E HN 0.416 nan 8.360 nan 0.000 0.412 368 Y N 1.449 121.701 120.300 -0.078 0.000 2.570 368 Y HA 0.366 4.916 4.550 -0.000 0.000 0.345 368 Y C -0.685 175.073 175.900 -0.236 0.000 1.014 368 Y CA -0.903 57.063 58.100 -0.222 0.000 1.063 368 Y CB 2.187 40.401 38.460 -0.411 0.000 1.272 368 Y HN 0.532 nan 8.280 nan 0.000 0.477 369 D N 1.468 121.784 120.400 -0.141 0.000 2.686 369 D HA 0.457 5.097 4.640 -0.000 0.000 0.249 369 D C -1.885 174.230 176.300 -0.309 0.000 1.260 369 D CA -0.301 53.588 54.000 -0.186 0.000 0.910 369 D CB 0.890 41.600 40.800 -0.150 0.000 1.323 369 D HN 0.457 nan 8.370 nan 0.000 0.561 370 L N 3.701 124.693 121.223 -0.385 0.000 2.262 370 L HA 0.453 4.793 4.340 -0.000 0.000 0.288 370 L C 0.030 176.375 176.870 -0.874 0.000 1.035 370 L CA -0.580 53.903 54.840 -0.597 0.000 0.820 370 L CB 1.227 42.973 42.059 -0.523 0.000 1.204 370 L HN 0.372 nan 8.230 nan 0.000 0.424 371 Q N 3.183 122.354 119.800 -1.048 0.000 2.345 371 Q HA 0.723 5.063 4.340 -0.000 0.000 0.268 371 Q C -1.395 173.710 176.000 -1.492 0.000 1.054 371 Q CA -0.607 54.542 55.803 -1.089 0.000 0.835 371 Q CB 2.883 31.259 28.738 -0.603 0.000 1.339 371 Q HN 0.367 nan 8.270 nan 0.000 0.447 372 F N 0.517 119.998 119.950 -0.781 0.000 2.643 372 F HA 0.637 5.164 4.527 -0.000 0.000 0.314 372 F C -0.566 174.591 175.800 -1.072 0.000 1.096 372 F CA -0.895 56.554 58.000 -0.917 0.000 0.953 372 F CB 1.776 40.090 39.000 -1.143 0.000 1.345 372 F HN 0.285 nan 8.300 nan 0.000 0.468 373 I N 2.018 122.082 120.570 -0.842 0.000 2.563 373 I HA 0.298 4.468 4.170 -0.000 0.000 0.285 373 I C -1.425 174.301 176.117 -0.651 0.000 1.123 373 I CA -0.212 60.674 61.300 -0.689 0.000 1.059 373 I CB 1.565 39.280 38.000 -0.476 0.000 1.229 373 I HN 0.388 nan 8.210 nan 0.000 0.442 374 F N 4.127 123.920 119.950 -0.263 0.000 2.432 374 F HA 0.534 5.061 4.527 -0.000 0.000 0.329 374 F C 0.356 176.126 175.800 -0.048 0.000 1.076 374 F CA -0.545 57.362 58.000 -0.155 0.000 1.018 374 F CB 1.443 40.240 39.000 -0.337 0.000 1.201 374 F HN 0.369 nan 8.300 nan 0.000 0.489 375 Q N 2.116 122.030 119.800 0.190 0.000 2.342 375 Q HA 0.477 4.817 4.340 -0.000 0.000 0.267 375 Q C -1.602 174.411 176.000 0.020 0.000 1.038 375 Q CA -1.194 54.477 55.803 -0.220 0.000 0.832 375 Q CB 2.217 30.694 28.738 -0.434 0.000 1.323 375 Q HN 0.726 nan 8.270 nan 0.000 0.448 376 L N 3.804 124.956 121.223 -0.117 0.000 2.315 376 L HA 0.324 4.664 4.340 -0.000 0.000 0.283 376 L C -1.288 175.379 176.870 -0.339 0.000 1.089 376 L CA 0.155 54.774 54.840 -0.368 0.000 0.833 376 L CB 0.412 42.121 42.059 -0.584 0.000 1.170 376 L HN 0.758 nan 8.230 nan 0.000 0.442 377 C N 4.612 123.713 119.300 -0.332 0.000 2.397 377 C HA 0.647 5.107 4.460 -0.000 0.000 0.343 377 C C -0.104 174.727 174.990 -0.264 0.000 1.188 377 C CA -0.928 57.945 59.018 -0.241 0.000 1.992 377 C CB 1.503 29.136 27.740 -0.178 0.000 2.358 377 C HN 0.874 nan 8.230 nan 0.000 0.518 378 K N 1.507 121.809 120.400 -0.163 0.000 2.203 378 K HA 0.843 5.163 4.320 -0.000 0.000 0.251 378 K C -1.538 175.074 176.600 0.020 0.000 0.944 378 K CA -0.373 55.855 56.287 -0.099 0.000 0.829 378 K CB 1.151 33.620 32.500 -0.052 0.000 1.125 378 K HN 0.636 nan 8.250 nan 0.000 0.430 379 I N 2.112 122.716 120.570 0.056 0.000 2.418 379 I HA 0.155 4.325 4.170 -0.000 0.000 0.287 379 I C -0.654 175.541 176.117 0.131 0.000 1.008 379 I CA -0.845 60.553 61.300 0.163 0.000 1.104 379 I CB 2.309 40.512 38.000 0.338 0.000 1.264 379 I HN 0.660 nan 8.210 nan 0.000 0.438 380 T N 7.237 121.879 114.554 0.147 0.000 2.728 380 T HA 0.365 4.715 4.350 -0.000 0.000 0.296 380 T C 0.292 175.068 174.700 0.126 0.000 0.940 380 T CA -0.420 61.744 62.100 0.106 0.000 1.013 380 T CB 0.311 69.235 68.868 0.092 0.000 0.912 380 T HN 0.310 nan 8.240 nan 0.000 0.484 381 L N 5.405 126.688 121.223 0.101 0.000 2.617 381 L HA 0.180 4.520 4.340 -0.000 0.000 0.282 381 L C 1.321 178.243 176.870 0.088 0.000 1.174 381 L CA -0.258 54.655 54.840 0.122 0.000 1.016 381 L CB -0.747 41.372 42.059 0.100 0.000 1.337 381 L HN 0.747 nan 8.230 nan 0.000 0.460 382 T N -1.188 113.422 114.554 0.094 0.000 2.949 382 T HA 0.584 4.934 4.350 -0.000 0.000 0.287 382 T C 1.201 175.939 174.700 0.064 0.000 1.034 382 T CA -0.207 61.934 62.100 0.068 0.000 1.018 382 T CB 1.959 70.866 68.868 0.066 0.000 1.135 382 T HN 0.350 nan 8.240 nan 0.000 0.532 383 A N 1.167 124.015 122.820 0.045 0.000 1.869 383 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 383 A C 1.967 179.575 177.584 0.040 0.000 1.203 383 A CA 2.322 54.381 52.037 0.036 0.000 0.638 383 A CB -1.367 17.649 19.000 0.026 0.000 0.831 383 A HN 0.974 nan 8.150 nan 0.000 0.450 384 D N -0.375 120.049 120.400 0.039 0.000 2.084 384 D HA -0.115 4.525 4.640 -0.000 0.000 0.194 384 D C 2.083 178.416 176.300 0.055 0.000 0.990 384 D CA 1.850 55.872 54.000 0.037 0.000 0.826 384 D CB -0.494 40.320 40.800 0.022 0.000 0.971 384 D HN 0.275 nan 8.370 nan 0.000 0.453 385 V N 1.342 121.296 119.914 0.066 0.000 2.490 385 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 385 V C 2.535 178.688 176.094 0.099 0.000 1.061 385 V CA 1.266 63.614 62.300 0.081 0.000 1.064 385 V CB -0.439 31.472 31.823 0.146 0.000 0.670 385 V HN 0.174 nan 8.190 nan 0.000 0.461 386 M N -0.111 119.546 119.600 0.095 0.000 2.132 386 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 386 M C 2.332 178.669 176.300 0.062 0.000 1.065 386 M CA 2.012 57.364 55.300 0.086 0.000 1.122 386 M CB -0.513 32.140 32.600 0.089 0.000 1.365 386 M HN 0.479 nan 8.290 nan 0.000 0.411 387 T N -0.472 114.114 114.554 0.054 0.000 2.665 387 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 387 T C 1.502 176.229 174.700 0.045 0.000 1.035 387 T CA 1.731 63.851 62.100 0.033 0.000 1.151 387 T CB -0.744 68.141 68.868 0.027 0.000 0.862 387 T HN 0.425 nan 8.240 nan 0.000 0.438 388 Y N 1.767 122.023 120.300 -0.073 0.000 2.145 388 Y HA -0.030 4.520 4.550 -0.000 0.000 0.286 388 Y C 2.094 177.891 175.900 -0.171 0.000 1.145 388 Y CA 0.651 58.682 58.100 -0.115 0.000 1.148 388 Y CB -0.579 37.766 38.460 -0.192 0.000 0.981 388 Y HN 0.156 nan 8.280 nan 0.000 0.507 389 I N -0.385 120.031 120.570 -0.256 0.000 2.264 389 I HA -0.364 3.806 4.170 -0.000 0.000 0.248 389 I C 2.596 178.464 176.117 -0.416 0.000 1.111 389 I CA 1.715 62.765 61.300 -0.417 0.000 1.382 389 I CB -0.618 37.228 38.000 -0.257 0.000 1.060 389 I HN 0.395 nan 8.210 nan 0.000 0.418 390 H N 1.053 119.945 119.070 -0.297 0.000 2.326 390 H HA -0.105 4.450 4.556 -0.000 0.000 0.301 390 H C 2.356 177.527 175.328 -0.262 0.000 1.081 390 H CA 1.997 57.900 56.048 -0.243 0.000 1.334 390 H CB 0.150 29.826 29.762 -0.142 0.000 1.385 390 H HN 0.224 nan 8.280 nan 0.000 0.504 391 S N 1.060 116.734 115.700 -0.044 0.000 2.368 391 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 391 S C 2.388 176.850 174.600 -0.230 0.000 1.030 391 S CA 1.407 59.566 58.200 -0.068 0.000 0.999 391 S CB -0.339 62.834 63.200 -0.045 0.000 0.844 391 S HN 0.442 nan 8.310 nan 0.000 0.459 392 M N 1.301 120.591 119.600 -0.517 0.000 2.084 392 M HA -0.096 4.384 4.480 -0.000 0.000 0.259 392 M C 0.438 176.292 176.300 -0.743 0.000 1.072 392 M CA 1.632 56.355 55.300 -0.962 0.000 1.107 392 M CB -0.040 31.814 32.600 -1.245 0.000 1.299 392 M HN 0.316 nan 8.290 nan 0.000 0.413 393 N N -1.034 117.270 118.700 -0.661 0.000 2.616 393 N HA 0.215 4.955 4.740 -0.000 0.000 0.281 393 N C -2.465 172.718 175.510 -0.545 0.000 1.145 393 N CA -1.300 51.422 53.050 -0.546 0.000 0.919 393 N CB 1.833 39.983 38.487 -0.561 0.000 1.509 393 N HN -0.041 nan 8.380 nan 0.000 0.537 394 P HA -0.123 nan 4.420 nan 0.000 0.216 394 P C 1.198 178.232 177.300 -0.442 0.000 1.153 394 P CA 1.029 63.761 63.100 -0.613 0.000 0.848 394 P CB 0.349 31.692 31.700 -0.596 0.000 0.787 395 S N 0.830 116.319 115.700 -0.352 0.000 2.401 395 S HA -0.232 4.238 4.470 -0.000 0.000 0.236 395 S C 2.032 176.405 174.600 -0.378 0.000 1.058 395 S CA 1.923 59.949 58.200 -0.289 0.000 1.151 395 S CB -1.390 61.668 63.200 -0.236 0.000 1.049 395 S HN 0.133 nan 8.310 nan 0.000 0.432 396 I N 0.792 121.047 120.570 -0.525 0.000 2.182 396 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 396 I C 2.148 177.665 176.117 -0.999 0.000 1.073 396 I CA 1.464 62.263 61.300 -0.835 0.000 1.335 396 I CB -0.359 37.051 38.000 -0.983 0.000 1.031 396 I HN 0.231 nan 8.210 nan 0.000 0.420 397 L N -0.570 120.331 121.223 -0.537 0.000 2.202 397 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 397 L C 2.414 179.251 176.870 -0.055 0.000 1.083 397 L CA 0.920 55.650 54.840 -0.182 0.000 0.790 397 L CB -0.252 41.752 42.059 -0.092 0.000 0.942 397 L HN 0.141 nan 8.230 nan 0.000 0.452 398 E N -0.163 119.958 120.200 -0.132 0.000 2.107 398 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 398 E C 1.352 177.947 176.600 -0.008 0.000 0.982 398 E CA 0.934 57.304 56.400 -0.050 0.000 0.809 398 E CB 0.051 29.702 29.700 -0.081 0.000 0.756 398 E HN 0.398 nan 8.360 nan 0.000 0.459 399 D N -0.158 120.203 120.400 -0.065 0.000 2.310 399 D HA -0.126 4.514 4.640 -0.000 0.000 0.212 399 D C 0.365 176.770 176.300 0.174 0.000 0.965 399 D CA 0.584 54.586 54.000 0.003 0.000 0.879 399 D CB -0.046 40.712 40.800 -0.071 0.000 0.921 399 D HN 0.256 nan 8.370 nan 0.000 0.510 400 W N 2.798 124.099 121.300 0.001 0.000 3.043 400 W HA 0.138 4.798 4.660 -0.000 0.000 0.435 400 W C 0.358 176.886 176.519 0.014 0.000 0.851 400 W CA -0.266 57.087 57.345 0.014 0.000 2.031 400 W CB -1.560 27.913 29.460 0.022 0.000 0.919 400 W HN 0.091 nan 8.180 nan 0.000 0.796 441 L N 0.706 121.989 121.223 0.101 0.000 3.184 441 L HA 0.360 4.700 4.340 -0.000 0.000 0.283 441 L C 1.845 178.711 176.870 -0.007 0.000 1.218 441 L CA -0.153 54.801 54.840 0.190 0.000 1.028 441 L CB 0.722 43.024 42.059 0.405 0.000 1.400 441 L HN -0.035 nan 8.230 nan 0.000 0.591 442 K N 1.025 121.390 120.400 -0.058 0.000 2.374 442 K HA -0.215 4.104 4.320 -0.000 0.000 0.202 442 K C 1.014 177.482 176.600 -0.220 0.000 1.044 442 K CA 1.593 57.816 56.287 -0.106 0.000 0.933 442 K CB 0.134 32.584 32.500 -0.084 0.000 0.745 442 K HN 0.435 nan 8.250 nan 0.000 0.474 443 N N -0.483 117.961 118.700 -0.426 0.000 2.373 443 N HA -0.024 4.716 4.740 -0.000 0.000 0.181 443 N C -0.418 174.715 175.510 -0.629 0.000 1.082 443 N CA 0.471 53.175 53.050 -0.577 0.000 0.885 443 N CB 0.236 38.285 38.487 -0.729 0.000 0.977 443 N HN 0.196 nan 8.380 nan 0.000 0.462 444 Y N 0.735 120.893 120.300 -0.237 0.000 2.387 444 Y HA 0.310 4.860 4.550 -0.000 0.000 0.336 444 Y C 0.597 176.074 175.900 -0.705 0.000 1.067 444 Y CA -1.190 56.628 58.100 -0.470 0.000 1.114 444 Y CB 1.193 39.327 38.460 -0.543 0.000 1.208 444 Y HN -0.192 nan 8.280 nan 0.000 0.458 445 T N 1.037 115.302 114.554 -0.481 0.000 2.801 445 T HA 0.589 4.939 4.350 -0.000 0.000 0.306 445 T C -0.787 173.701 174.700 -0.353 0.000 1.020 445 T CA -0.627 61.247 62.100 -0.377 0.000 0.948 445 T CB -0.329 68.448 68.868 -0.151 0.000 0.962 445 T HN 0.380 nan 8.240 nan 0.000 0.465 446 F N 1.100 121.126 119.950 0.126 0.000 2.523 446 F HA 0.521 5.048 4.527 -0.000 0.000 0.329 446 F C 0.313 176.201 175.800 0.147 0.000 1.061 446 F CA -1.715 56.365 58.000 0.133 0.000 0.967 446 F CB 1.280 40.388 39.000 0.180 0.000 1.218 446 F HN 0.529 nan 8.300 nan 0.000 0.480 447 W N 3.762 125.136 121.300 0.123 0.000 2.356 447 W HA 0.180 4.839 4.660 -0.000 0.000 0.311 447 W C -0.654 175.967 176.519 0.169 0.000 1.328 447 W CA -0.535 56.857 57.345 0.077 0.000 1.251 447 W CB 0.397 29.813 29.460 -0.073 0.000 1.280 447 W HN 0.497 nan 8.180 nan 0.000 0.524 448 E N 4.386 124.875 120.200 0.481 0.000 2.283 448 E HA 0.295 4.645 4.350 -0.000 0.000 0.278 448 E C -0.890 175.968 176.600 0.430 0.000 1.027 448 E CA -0.560 56.055 56.400 0.359 0.000 0.843 448 E CB 2.351 32.176 29.700 0.209 0.000 1.062 448 E HN 0.186 nan 8.360 nan 0.000 0.401 449 V N 3.532 123.613 119.914 0.278 0.000 2.419 449 V HA 0.077 4.197 4.120 -0.000 0.000 0.287 449 V C -0.431 175.737 176.094 0.123 0.000 1.017 449 V CA -0.852 61.577 62.300 0.214 0.000 0.844 449 V CB 1.727 33.636 31.823 0.144 0.000 1.011 449 V HN 0.517 nan 8.190 nan 0.000 0.429 450 D N 5.243 125.716 120.400 0.122 0.000 2.359 450 D HA 0.318 4.958 4.640 -0.000 0.000 0.230 450 D C 0.098 176.459 176.300 0.102 0.000 1.118 450 D CA -0.217 53.835 54.000 0.086 0.000 0.844 450 D CB 1.625 42.475 40.800 0.083 0.000 1.059 450 D HN 0.450 nan 8.370 nan 0.000 0.493 451 L N 4.337 125.619 121.223 0.098 0.000 3.094 451 L HA 0.196 4.536 4.340 -0.000 0.000 0.254 451 L C 1.718 178.673 176.870 0.142 0.000 1.298 451 L CA -0.233 54.712 54.840 0.175 0.000 1.050 451 L CB 0.308 42.528 42.059 0.268 0.000 1.420 451 L HN 0.192 nan 8.230 nan 0.000 0.548 452 K N 0.530 120.958 120.400 0.047 0.000 2.021 452 K HA -0.137 4.182 4.320 -0.000 0.000 0.205 452 K C 1.417 178.077 176.600 0.100 0.000 1.047 452 K CA 1.055 57.317 56.287 -0.042 0.000 0.943 452 K CB 0.245 32.743 32.500 -0.004 0.000 0.725 452 K HN 0.033 nan 8.250 nan 0.000 0.439 453 E N 0.949 121.239 120.200 0.149 0.000 2.512 453 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 453 E C 0.037 176.792 176.600 0.258 0.000 1.083 453 E CA 0.487 57.009 56.400 0.204 0.000 0.873 453 E CB 0.290 30.083 29.700 0.154 0.000 0.897 453 E HN 0.026 nan 8.360 nan 0.000 0.514 454 K N 0.209 120.792 120.400 0.305 0.000 2.576 454 K HA 0.119 4.439 4.320 -0.000 0.000 0.209 454 K C -0.632 176.194 176.600 0.377 0.000 1.049 454 K CA -0.221 56.245 56.287 0.298 0.000 1.140 454 K CB 0.281 32.921 32.500 0.234 0.000 0.871 454 K HN 0.032 nan 8.250 nan 0.000 0.479 455 F N 1.187 121.255 119.950 0.196 0.000 2.394 455 F HA 0.240 4.767 4.527 -0.000 0.000 0.340 455 F C 0.776 176.789 175.800 0.355 0.000 1.105 455 F CA -0.489 57.660 58.000 0.248 0.000 1.124 455 F CB 1.563 40.696 39.000 0.222 0.000 1.145 455 F HN -0.158 nan 8.300 nan 0.000 0.505 456 S N 1.892 117.767 115.700 0.293 0.000 2.569 456 S HA 0.739 5.209 4.470 -0.000 0.000 0.280 456 S C 0.061 174.550 174.600 -0.186 0.000 1.111 456 S CA -0.131 58.191 58.200 0.203 0.000 0.887 456 S CB 1.658 65.050 63.200 0.320 0.000 1.095 456 S HN 0.743 nan 8.310 nan 0.000 0.476 457 A N 1.762 124.345 122.820 -0.394 0.000 2.238 457 A HA 0.298 4.617 4.320 -0.000 0.000 0.210 457 A C -0.062 177.400 177.584 -0.204 0.000 1.179 457 A CA 0.073 51.676 52.037 -0.723 0.000 0.827 457 A CB -0.128 18.505 19.000 -0.612 0.000 0.856 457 A HN 0.789 nan 8.150 nan 0.000 0.488 458 D N 0.917 121.307 120.400 -0.017 0.000 2.479 458 D HA 0.310 4.950 4.640 -0.000 0.000 0.218 458 D C 0.866 177.257 176.300 0.151 0.000 1.131 458 D CA -0.160 53.871 54.000 0.052 0.000 0.916 458 D CB 1.150 41.965 40.800 0.024 0.000 1.022 458 D HN 0.252 nan 8.370 nan 0.000 0.515 459 L N 0.611 121.900 121.223 0.110 0.000 2.217 459 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 459 L C 2.062 179.043 176.870 0.185 0.000 1.107 459 L CA 0.664 55.608 54.840 0.174 0.000 0.783 459 L CB -0.120 42.005 42.059 0.110 0.000 0.919 459 L HN 0.212 nan 8.230 nan 0.000 0.442 460 D N 0.378 120.822 120.400 0.072 0.000 2.106 460 D HA -0.215 4.425 4.640 -0.000 0.000 0.191 460 D C 1.938 178.181 176.300 -0.095 0.000 0.997 460 D CA 1.148 55.149 54.000 0.001 0.000 0.834 460 D CB 0.010 40.793 40.800 -0.028 0.000 0.956 460 D HN 0.175 nan 8.370 nan 0.000 0.448 461 Q N -0.576 119.081 119.800 -0.239 0.000 2.645 461 Q HA -0.118 4.222 4.340 -0.000 0.000 0.220 461 Q C -0.331 175.069 176.000 -1.000 0.000 0.975 461 Q CA 0.697 56.124 55.803 -0.627 0.000 0.928 461 Q CB -0.728 27.512 28.738 -0.830 0.000 0.973 461 Q HN 0.367 nan 8.270 nan 0.000 0.567 462 F N -1.352 118.483 119.950 -0.191 0.000 2.619 462 F HA 0.280 4.807 4.527 -0.000 0.000 0.308 462 F C -1.695 174.052 175.800 -0.089 0.000 1.097 462 F CA -2.601 55.269 58.000 -0.217 0.000 0.953 462 F CB 1.131 39.812 39.000 -0.531 0.000 1.287 462 F HN -0.316 nan 8.300 nan 0.000 0.446 463 P HA -0.185 nan 4.420 nan 0.000 0.213 463 P C 1.886 179.254 177.300 0.114 0.000 1.170 463 P CA 1.474 64.619 63.100 0.075 0.000 0.898 463 P CB 0.784 32.505 31.700 0.035 0.000 0.787 464 L N -0.192 121.104 121.223 0.122 0.000 1.955 464 L HA -0.147 4.193 4.340 -0.000 0.000 0.213 464 L C 2.720 179.743 176.870 0.255 0.000 1.072 464 L CA 2.660 57.580 54.840 0.133 0.000 0.755 464 L CB -1.653 40.402 42.059 -0.008 0.000 0.888 464 L HN 0.059 nan 8.230 nan 0.000 0.432 465 G N -0.709 108.262 108.800 0.285 0.000 2.503 465 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.221 465 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.221 465 G C 1.687 176.731 174.900 0.240 0.000 1.131 465 G CA 1.038 46.296 45.100 0.262 0.000 0.756 465 G HN 0.369 nan 8.290 nan 0.000 0.572 466 R N 0.274 120.882 120.500 0.180 0.000 2.080 466 R HA -0.064 4.276 4.340 -0.000 0.000 0.236 466 R C 2.762 179.133 176.300 0.117 0.000 1.137 466 R CA 1.785 57.953 56.100 0.113 0.000 0.943 466 R CB -0.245 30.094 30.300 0.065 0.000 0.846 466 R HN 0.326 nan 8.270 nan 0.000 0.431 467 K N -0.370 120.127 120.400 0.162 0.000 2.059 467 K HA -0.233 4.087 4.320 -0.000 0.000 0.212 467 K C 1.888 178.584 176.600 0.160 0.000 1.050 467 K CA 1.980 58.388 56.287 0.201 0.000 0.927 467 K CB -0.416 32.284 32.500 0.332 0.000 0.714 467 K HN 0.163 nan 8.250 nan 0.000 0.447 468 F N 1.477 121.480 119.950 0.088 0.000 2.202 468 F HA -0.147 4.380 4.527 -0.000 0.000 0.301 468 F C 1.613 177.217 175.800 -0.327 0.000 1.082 468 F CA 1.192 59.015 58.000 -0.296 0.000 1.313 468 F CB 0.014 38.943 39.000 -0.119 0.000 1.024 468 F HN -0.077 nan 8.300 nan 0.000 0.495 469 L N -0.734 120.453 121.223 -0.061 0.000 2.179 469 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 469 L C 2.210 178.919 176.870 -0.269 0.000 1.096 469 L CA 0.361 55.104 54.840 -0.162 0.000 0.779 469 L CB -0.541 41.524 42.059 0.010 0.000 0.922 469 L HN 0.272 nan 8.230 nan 0.000 0.443 470 L N -0.485 120.621 121.223 -0.195 0.000 1.982 470 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 470 L C 2.603 179.320 176.870 -0.254 0.000 1.078 470 L CA 1.718 56.458 54.840 -0.167 0.000 0.749 470 L CB -0.848 41.162 42.059 -0.081 0.000 0.894 470 L HN 0.206 nan 8.230 nan 0.000 0.436 471 Q N 0.044 119.662 119.800 -0.304 0.000 2.112 471 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 471 Q C 1.957 177.617 176.000 -0.566 0.000 0.987 471 Q CA 2.253 57.815 55.803 -0.402 0.000 0.858 471 Q CB -0.352 28.090 28.738 -0.492 0.000 0.905 471 Q HN 0.646 nan 8.270 nan 0.000 0.420 472 A N -0.540 121.782 122.820 -0.830 0.000 2.067 472 A HA 0.149 4.469 4.320 -0.000 0.000 0.219 472 A C 1.517 178.800 177.584 -0.501 0.000 1.158 472 A CA 1.925 53.449 52.037 -0.855 0.000 0.661 472 A CB -0.531 17.654 19.000 -1.359 0.000 0.801 472 A HN 0.707 nan 8.150 nan 0.000 0.452 473 G N -0.777 107.783 108.800 -0.400 0.000 3.299 473 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.251 473 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.251 473 G C 0.351 175.126 174.900 -0.209 0.000 1.741 473 G CA 0.015 44.966 45.100 -0.248 0.000 1.151 473 G HN 1.284 nan 8.290 nan 0.000 0.561 474 L N 0.000 121.117 121.223 -0.177 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.765 54.840 -0.124 0.000 0.813 474 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502