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 3cus_1_S DATA FIRST_RESID 6 DATA SEQUENCE PTPQSTFTGP IVVDPITRIE GHLRIMVEVE NGKVKDAWSS SQLFRGLEII DATA SEQUENCE LKGRDPRDAQ HFTQRACGIC TYVHALASSR CVDDAVKVSI PANARMMRNL DATA SEQUENCE VMASQYLHDH LVHFYHFHAL DWVDVTAALK ADPNKAAKLA ASIAPARPGN DATA SEQUENCE SAKALKAVQD KLKAFVESGQ LGIFTNAYFL GGHKAYYLPP EVDLIATAHY DATA SEQUENCE LEALHMQVKA ASAMAILGGK NPHTQFTVVG GCSNYQGLTK DPLANYLALS DATA SEQUENCE KEVcQFVNEC YIPDLLAVAG FYKDWGGIGG TSNYLAFGEF ATDDSSPEKH DATA SEQUENCE LATSQFPSGV ITGRDLGKVD NVDLGAIYED VKYSWYAPGG DGKHPYDGVT DATA SEQUENCE DPKYTKLDDK DHYSWMKAPR YKGKAMEVGP LARTFIAYAK GQPDFKKVVD DATA SEQUENCE MVLGKLSVPA TALHSTLGRT AARGIETAIV cANMEKWIKE MADSGAKDNT DATA SEQUENCE LCAKWEMPEE SKGVGLADAP RGALSHWIRI KGKKIDNFQL VVPSTWNLGP DATA SEQUENCE RGAQGDKSPV EEALIGTPIA DPKRPVEILR TVHAFDPXIA CGVH 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.325 177.300 0.042 0.000 1.155 6 P CA 0.000 63.106 63.100 0.011 0.000 0.800 6 P CB 0.000 31.711 31.700 0.019 0.000 0.726 7 T N 3.079 117.686 114.554 0.087 0.000 2.792 7 T HA 0.263 4.613 4.350 -0.000 0.000 0.286 7 T C -2.136 172.673 174.700 0.181 0.000 0.970 7 T CA -0.376 61.839 62.100 0.193 0.000 1.187 7 T CB -0.514 68.432 68.868 0.131 0.000 0.915 7 T HN 0.156 nan 8.240 nan 0.000 0.529 8 P HA 0.155 nan 4.420 nan 0.000 0.265 8 P C -0.418 176.984 177.300 0.171 0.000 1.193 8 P CA -0.088 63.134 63.100 0.203 0.000 0.765 8 P CB 0.404 32.264 31.700 0.267 0.000 0.823 9 Q N 1.814 121.687 119.800 0.121 0.000 2.281 9 Q HA 0.417 4.757 4.340 -0.000 0.000 0.263 9 Q C -0.694 175.360 176.000 0.089 0.000 0.989 9 Q CA -0.578 55.286 55.803 0.103 0.000 0.852 9 Q CB 1.372 30.159 28.738 0.081 0.000 1.337 9 Q HN 0.529 nan 8.270 nan 0.000 0.418 10 S N 1.534 117.291 115.700 0.096 0.000 2.632 10 S HA 0.307 4.777 4.470 -0.000 0.000 0.267 10 S C 0.865 175.527 174.600 0.104 0.000 1.193 10 S CA 0.361 58.618 58.200 0.095 0.000 1.003 10 S CB 0.936 64.199 63.200 0.105 0.000 1.073 10 S HN 0.826 nan 8.310 nan 0.000 0.553 11 T N -2.429 112.191 114.554 0.111 0.000 3.134 11 T HA 0.282 4.631 4.350 -0.000 0.000 0.260 11 T C -0.056 174.710 174.700 0.109 0.000 1.027 11 T CA -0.565 61.588 62.100 0.087 0.000 0.913 11 T CB -0.843 68.060 68.868 0.058 0.000 1.046 11 T HN 0.445 nan 8.240 nan 0.000 0.553 12 F N 3.334 123.294 119.950 0.017 0.000 2.602 12 F HA 0.378 4.905 4.527 -0.000 0.000 0.385 12 F C -0.023 175.788 175.800 0.018 0.000 1.063 12 F CA 0.407 58.416 58.000 0.016 0.000 1.233 12 F CB 0.425 39.435 39.000 0.017 0.000 1.067 12 F HN 0.023 nan 8.300 nan 0.000 0.564 13 T N 5.167 119.281 114.554 -0.733 0.000 2.809 13 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 13 T C -0.086 174.038 174.700 -0.961 0.000 0.992 13 T CA -0.074 61.660 62.100 -0.610 0.000 0.957 13 T CB 0.924 69.617 68.868 -0.291 0.000 0.942 13 T HN 1.106 nan 8.240 nan 0.000 0.439 14 G N 4.361 112.766 108.800 -0.659 0.000 2.369 14 G HA2 0.340 4.299 3.960 -0.000 0.000 0.293 14 G HA3 0.340 4.299 3.960 -0.000 0.000 0.293 14 G C -3.460 171.459 174.900 0.033 0.000 1.301 14 G CA -0.969 43.910 45.100 -0.368 0.000 0.913 14 G HN 0.491 nan 8.290 nan 0.000 0.540 15 P HA 0.650 nan 4.420 nan 0.000 0.282 15 P C -0.648 176.811 177.300 0.265 0.000 1.249 15 P CA -0.306 62.902 63.100 0.179 0.000 0.806 15 P CB 1.477 33.229 31.700 0.087 0.000 0.984 16 I N 1.808 122.498 120.570 0.201 0.000 2.499 16 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 16 I C -0.460 175.721 176.117 0.107 0.000 1.048 16 I CA -1.145 60.236 61.300 0.134 0.000 1.062 16 I CB 2.500 40.562 38.000 0.103 0.000 1.238 16 I HN -0.021 nan 8.210 nan 0.000 0.426 17 V N 6.746 126.708 119.914 0.081 0.000 2.459 17 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 17 V C -0.243 175.901 176.094 0.082 0.000 1.029 17 V CA -0.677 61.671 62.300 0.080 0.000 0.874 17 V CB 2.216 34.078 31.823 0.065 0.000 0.985 17 V HN 0.412 nan 8.190 nan 0.000 0.438 18 V N 3.666 123.636 119.914 0.094 0.000 2.326 18 V HA 0.604 4.724 4.120 -0.000 0.000 0.281 18 V C -0.861 175.295 176.094 0.102 0.000 1.015 18 V CA -0.292 62.068 62.300 0.100 0.000 0.823 18 V CB 1.446 33.331 31.823 0.103 0.000 1.009 18 V HN 0.934 nan 8.190 nan 0.000 0.436 19 D N 5.330 125.790 120.400 0.100 0.000 2.591 19 D HA 0.462 5.102 4.640 -0.000 0.000 0.222 19 D C -2.469 173.889 176.300 0.096 0.000 1.360 19 D CA -0.653 53.412 54.000 0.108 0.000 0.967 19 D CB 2.543 43.412 40.800 0.116 0.000 1.456 19 D HN 0.433 nan 8.370 nan 0.000 0.588 20 P HA 0.421 nan 4.420 nan 0.000 0.282 20 P C -0.165 177.184 177.300 0.082 0.000 1.249 20 P CA -0.664 62.500 63.100 0.106 0.000 0.806 20 P CB 1.050 32.815 31.700 0.109 0.000 0.984 21 I N 2.795 123.413 120.570 0.081 0.000 2.436 21 I HA 0.045 4.214 4.170 -0.000 0.000 0.289 21 I C 1.391 177.541 176.117 0.056 0.000 1.083 21 I CA 0.341 61.674 61.300 0.055 0.000 1.372 21 I CB 0.045 38.071 38.000 0.042 0.000 1.408 21 I HN 0.526 nan 8.210 nan 0.000 0.516 22 T N 3.558 118.148 114.554 0.062 0.000 2.897 22 T HA 0.468 4.818 4.350 -0.000 0.000 0.278 22 T C 0.707 175.454 174.700 0.079 0.000 0.981 22 T CA -0.817 61.302 62.100 0.032 0.000 0.973 22 T CB 0.921 69.790 68.868 0.001 0.000 1.092 22 T HN 0.600 nan 8.240 nan 0.000 0.543 23 R N -0.042 120.397 120.500 -0.102 0.000 3.416 23 R HA -0.142 4.198 4.340 -0.000 0.000 0.263 23 R C -0.048 175.955 176.300 -0.496 0.000 1.053 23 R CA 0.840 56.741 56.100 -0.331 0.000 0.705 23 R CB -2.162 28.021 30.300 -0.195 0.000 1.124 23 R HN 0.784 nan 8.270 nan 0.000 0.444 24 I N -4.876 115.446 120.570 -0.413 0.000 3.466 24 I HA 0.550 4.720 4.170 -0.000 0.000 0.311 24 I C -0.153 175.748 176.117 -0.361 0.000 1.155 24 I CA -1.227 59.891 61.300 -0.303 0.000 0.959 24 I CB 1.689 39.690 38.000 0.000 0.000 1.332 24 I HN -0.232 nan 8.210 nan 0.000 0.483 25 E N 1.502 121.613 120.200 -0.149 0.000 2.229 25 E HA 0.553 4.903 4.350 -0.000 0.000 0.283 25 E C 0.145 176.687 176.600 -0.097 0.000 1.030 25 E CA 0.950 57.297 56.400 -0.088 0.000 0.836 25 E CB 0.963 30.687 29.700 0.040 0.000 1.068 25 E HN 1.002 nan 8.360 nan 0.000 0.401 26 G N 4.512 113.181 108.800 -0.218 0.000 2.568 26 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.222 26 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.222 26 G C -0.847 173.766 174.900 -0.479 0.000 1.321 26 G CA -0.373 44.508 45.100 -0.364 0.000 0.893 26 G HN 0.697 nan 8.290 nan 0.000 0.569 27 H N -0.315 118.810 119.070 0.092 0.000 2.786 27 H HA 0.585 5.140 4.556 -0.001 0.000 0.284 27 H C -0.590 174.826 175.328 0.147 0.000 1.104 27 H CA -0.332 55.780 56.048 0.108 0.000 1.339 27 H CB 1.106 30.931 29.762 0.105 0.000 1.427 27 H HN 0.535 nan 8.280 nan 0.000 0.497 28 L N 2.845 124.189 121.223 0.200 0.000 2.362 28 L HA 0.450 4.789 4.340 -0.000 0.000 0.275 28 L C -0.346 176.629 176.870 0.175 0.000 0.998 28 L CA -0.591 54.361 54.840 0.185 0.000 0.820 28 L CB 1.875 44.014 42.059 0.133 0.000 1.270 28 L HN 0.442 nan 8.230 nan 0.000 0.415 29 R N 5.658 126.275 120.500 0.196 0.000 2.437 29 R HA 0.603 4.943 4.340 -0.000 0.000 0.310 29 R C -1.539 174.862 176.300 0.167 0.000 0.955 29 R CA -0.696 55.510 56.100 0.177 0.000 0.851 29 R CB 1.017 31.440 30.300 0.204 0.000 1.161 29 R HN 0.596 nan 8.270 nan 0.000 0.446 30 I N 5.782 126.434 120.570 0.138 0.000 2.354 30 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 30 I C -0.478 175.725 176.117 0.144 0.000 0.989 30 I CA -0.916 60.468 61.300 0.139 0.000 1.188 30 I CB 1.590 39.653 38.000 0.105 0.000 1.342 30 I HN 0.684 nan 8.210 nan 0.000 0.457 31 M N 7.534 127.244 119.600 0.183 0.000 2.383 31 M HA 0.638 5.117 4.480 -0.000 0.000 0.325 31 M C -0.314 176.181 176.300 0.325 0.000 1.092 31 M CA -0.755 54.656 55.300 0.185 0.000 0.961 31 M CB 2.105 34.744 32.600 0.065 0.000 1.672 31 M HN 0.350 nan 8.290 nan 0.000 0.438 32 V N -1.496 118.579 119.914 0.268 0.000 3.007 32 V HA 0.750 4.870 4.120 -0.000 0.000 0.311 32 V C -0.954 175.307 176.094 0.277 0.000 1.120 32 V CA -0.741 61.731 62.300 0.286 0.000 0.980 32 V CB 2.315 34.241 31.823 0.172 0.000 1.033 32 V HN 0.741 nan 8.190 nan 0.000 0.429 33 E N 1.786 122.156 120.200 0.284 0.000 2.175 33 E HA 0.660 5.010 4.350 -0.000 0.000 0.278 33 E C -1.069 175.608 176.600 0.128 0.000 0.969 33 E CA -0.388 56.127 56.400 0.192 0.000 0.796 33 E CB 2.118 31.935 29.700 0.196 0.000 1.104 33 E HN 0.690 nan 8.360 nan 0.000 0.395 34 V N 2.835 122.817 119.914 0.114 0.000 2.495 34 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 34 V C -0.173 175.926 176.094 0.008 0.000 1.031 34 V CA -0.761 61.604 62.300 0.109 0.000 0.871 34 V CB 1.777 33.761 31.823 0.269 0.000 0.988 34 V HN 0.543 nan 8.190 nan 0.000 0.432 35 E N 2.944 123.151 120.200 0.012 0.000 2.246 35 E HA 0.357 4.707 4.350 -0.000 0.000 0.266 35 E C -0.072 176.528 176.600 -0.000 0.000 0.880 35 E CA -0.711 55.673 56.400 -0.027 0.000 0.762 35 E CB 1.523 31.209 29.700 -0.023 0.000 1.180 35 E HN 0.756 nan 8.360 nan 0.000 0.416 36 N N 2.271 120.964 118.700 -0.013 0.000 2.707 36 N HA -0.303 4.437 4.740 -0.000 0.000 0.253 36 N C 0.535 176.078 175.510 0.055 0.000 0.998 36 N CA 0.672 53.733 53.050 0.018 0.000 0.751 36 N CB -0.611 37.882 38.487 0.010 0.000 0.920 36 N HN 1.028 nan 8.380 nan 0.000 0.539 37 G N -0.720 108.139 108.800 0.099 0.000 2.179 37 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 37 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 37 G C -0.111 174.853 174.900 0.107 0.000 0.977 37 G CA 0.850 46.029 45.100 0.132 0.000 0.641 37 G HN 0.508 nan 8.290 nan 0.000 0.533 38 K N -0.011 120.438 120.400 0.081 0.000 2.371 38 K HA 0.587 4.906 4.320 -0.000 0.000 0.251 38 K C 0.118 176.756 176.600 0.063 0.000 0.934 38 K CA -0.920 55.403 56.287 0.060 0.000 0.798 38 K CB 2.861 35.379 32.500 0.029 0.000 1.204 38 K HN 0.007 nan 8.250 nan 0.000 0.427 39 V N 4.274 124.225 119.914 0.061 0.000 2.521 39 V HA -0.003 4.117 4.120 -0.000 0.000 0.286 39 V C 0.902 177.009 176.094 0.021 0.000 1.034 39 V CA 0.429 62.764 62.300 0.058 0.000 1.045 39 V CB 0.777 32.637 31.823 0.062 0.000 0.974 39 V HN 0.704 nan 8.190 nan 0.000 0.480 40 K N 2.016 122.425 120.400 0.016 0.000 2.365 40 K HA 0.323 4.643 4.320 -0.000 0.000 0.195 40 K C 0.092 176.655 176.600 -0.062 0.000 1.079 40 K CA 0.168 56.446 56.287 -0.015 0.000 0.979 40 K CB 0.473 32.972 32.500 -0.001 0.000 0.929 40 K HN 0.680 nan 8.250 nan 0.000 0.523 41 D N -0.903 119.452 120.400 -0.075 0.000 2.602 41 D HA 0.635 5.275 4.640 -0.000 0.000 0.236 41 D C -1.718 174.392 176.300 -0.316 0.000 1.209 41 D CA -0.493 53.349 54.000 -0.264 0.000 0.831 41 D CB 2.327 42.947 40.800 -0.300 0.000 1.478 41 D HN 0.014 nan 8.370 nan 0.000 0.438 42 A N 1.099 123.500 122.820 -0.698 0.000 2.594 42 A HA 0.741 5.060 4.320 -0.000 0.000 0.295 42 A C -1.815 175.315 177.584 -0.758 0.000 1.071 42 A CA -0.794 50.989 52.037 -0.423 0.000 0.685 42 A CB 1.701 20.596 19.000 -0.174 0.000 1.285 42 A HN 0.380 nan 8.150 nan 0.000 0.405 43 W N 0.862 122.086 121.300 -0.127 0.000 3.042 43 W HA 0.490 5.150 4.660 -0.001 0.000 0.337 43 W C -0.174 176.353 176.519 0.013 0.000 1.086 43 W CA -0.525 56.709 57.345 -0.183 0.000 1.236 43 W CB 2.346 31.498 29.460 -0.513 0.000 1.381 43 W HN 0.733 nan 8.180 nan 0.000 0.472 44 S N 2.313 118.210 115.700 0.328 0.000 2.423 44 S HA 0.317 4.786 4.470 -0.000 0.000 0.317 44 S C -0.419 174.367 174.600 0.310 0.000 1.065 44 S CA -0.021 58.323 58.200 0.240 0.000 1.111 44 S CB 0.744 64.008 63.200 0.106 0.000 0.968 44 S HN 0.330 nan 8.310 nan 0.000 0.474 45 S N 4.459 120.328 115.700 0.283 0.000 2.532 45 S HA 0.458 4.928 4.470 -0.000 0.000 0.318 45 S C -0.337 174.428 174.600 0.276 0.000 1.083 45 S CA -0.593 57.774 58.200 0.279 0.000 1.131 45 S CB 0.339 63.729 63.200 0.318 0.000 0.973 45 S HN 0.680 nan 8.310 nan 0.000 0.468 46 S N 4.293 120.153 115.700 0.268 0.000 2.528 46 S HA 0.230 4.700 4.470 -0.000 0.000 0.277 46 S C 0.798 175.756 174.600 0.597 0.000 1.297 46 S CA -0.549 57.873 58.200 0.371 0.000 1.052 46 S CB 1.028 64.433 63.200 0.342 0.000 0.917 46 S HN 0.734 nan 8.310 nan 0.000 0.492 47 Q N 1.100 121.220 119.800 0.532 0.000 2.219 47 Q HA 0.298 4.638 4.340 -0.000 0.000 0.209 47 Q C -0.664 175.592 176.000 0.426 0.000 0.854 47 Q CA 0.001 56.133 55.803 0.549 0.000 0.960 47 Q CB 0.374 29.330 28.738 0.364 0.000 1.116 47 Q HN 0.546 nan 8.270 nan 0.000 0.500 48 L N -0.258 121.173 121.223 0.347 0.000 2.431 48 L HA 0.588 4.928 4.340 -0.000 0.000 0.266 48 L C -1.748 175.007 176.870 -0.192 0.000 0.978 48 L CA -0.900 53.952 54.840 0.021 0.000 0.822 48 L CB 1.871 43.982 42.059 0.086 0.000 1.310 48 L HN -0.104 nan 8.230 nan 0.000 0.409 49 F N 4.108 123.601 119.950 -0.762 0.000 2.532 49 F HA 0.637 5.163 4.527 -0.000 0.000 0.321 49 F C 0.531 176.069 175.800 -0.435 0.000 1.089 49 F CA -0.283 57.256 58.000 -0.768 0.000 0.926 49 F CB 1.930 39.961 39.000 -1.615 0.000 1.168 49 F HN 0.632 nan 8.300 nan 0.000 0.459 50 R N 2.309 122.212 120.500 -0.996 0.000 2.350 50 R HA 0.313 4.653 4.340 -0.000 0.000 0.199 50 R C 0.543 176.367 176.300 -0.793 0.000 0.876 50 R CA 0.285 55.995 56.100 -0.650 0.000 1.062 50 R CB 0.597 30.692 30.300 -0.342 0.000 1.263 50 R HN 0.941 nan 8.270 nan 0.000 0.641 51 G N 1.924 109.957 108.800 -1.277 0.000 2.248 51 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.252 51 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.252 51 G C 0.546 175.322 174.900 -0.207 0.000 1.085 51 G CA 0.011 44.709 45.100 -0.669 0.000 0.845 51 G HN 0.147 nan 8.290 nan 0.000 0.494 52 L N -0.808 120.306 121.223 -0.182 0.000 2.079 52 L HA -0.122 4.217 4.340 -0.000 0.000 0.210 52 L C 2.758 179.586 176.870 -0.071 0.000 1.081 52 L CA 2.193 56.980 54.840 -0.088 0.000 0.752 52 L CB -0.390 41.629 42.059 -0.067 0.000 0.896 52 L HN 0.511 nan 8.230 nan 0.000 0.433 53 E N 0.324 120.536 120.200 0.019 0.000 2.110 53 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 53 E C 2.242 178.867 176.600 0.042 0.000 0.988 53 E CA 1.127 57.568 56.400 0.068 0.000 0.804 53 E CB -0.066 29.730 29.700 0.161 0.000 0.745 53 E HN 0.499 nan 8.360 nan 0.000 0.458 54 I N 0.623 121.227 120.570 0.058 0.000 2.233 54 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 54 I C 2.257 178.364 176.117 -0.016 0.000 1.093 54 I CA 0.905 62.239 61.300 0.057 0.000 1.380 54 I CB -0.168 37.904 38.000 0.121 0.000 1.067 54 I HN 0.076 nan 8.210 nan 0.000 0.413 55 I N 0.600 121.135 120.570 -0.059 0.000 2.264 55 I HA -0.302 3.867 4.170 -0.000 0.000 0.248 55 I C 2.363 178.315 176.117 -0.276 0.000 1.111 55 I CA 1.493 62.717 61.300 -0.127 0.000 1.382 55 I CB -0.211 37.733 38.000 -0.093 0.000 1.060 55 I HN 0.211 nan 8.210 nan 0.000 0.418 56 L N 0.394 121.430 121.223 -0.312 0.000 2.275 56 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 56 L C 1.351 178.096 176.870 -0.207 0.000 1.119 56 L CA 0.458 55.060 54.840 -0.398 0.000 0.790 56 L CB -0.373 41.444 42.059 -0.403 0.000 0.919 56 L HN 0.134 nan 8.230 nan 0.000 0.443 57 K N 0.307 120.646 120.400 -0.100 0.000 2.451 57 K HA 0.134 4.454 4.320 -0.000 0.000 0.280 57 K C 1.070 177.644 176.600 -0.044 0.000 1.020 57 K CA 0.881 57.149 56.287 -0.032 0.000 1.008 57 K CB 0.341 32.843 32.500 0.004 0.000 0.917 57 K HN 0.197 nan 8.250 nan 0.000 0.478 58 G N 3.197 111.987 108.800 -0.017 0.000 2.179 58 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 58 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 58 G C 0.057 174.943 174.900 -0.023 0.000 0.977 58 G CA 0.251 45.344 45.100 -0.011 0.000 0.641 58 G HN 0.634 nan 8.290 nan 0.000 0.533 59 R N 0.175 120.640 120.500 -0.059 0.000 2.549 59 R HA 0.432 4.772 4.340 -0.000 0.000 0.259 59 R C -0.294 175.999 176.300 -0.012 0.000 1.095 59 R CA -0.649 55.412 56.100 -0.066 0.000 1.148 59 R CB 0.391 30.577 30.300 -0.190 0.000 1.181 59 R HN 0.160 nan 8.270 nan 0.000 0.571 60 D N 1.331 121.743 120.400 0.019 0.000 2.401 60 D HA 0.023 4.663 4.640 -0.000 0.000 0.254 60 D C -1.645 174.692 176.300 0.062 0.000 1.192 60 D CA -1.858 52.180 54.000 0.063 0.000 0.885 60 D CB 1.193 42.048 40.800 0.091 0.000 1.147 60 D HN 0.127 nan 8.370 nan 0.000 0.478 61 P HA -0.129 nan 4.420 nan 0.000 0.217 61 P C 1.099 178.442 177.300 0.071 0.000 1.148 61 P CA 1.152 64.308 63.100 0.093 0.000 0.828 61 P CB 0.213 31.979 31.700 0.110 0.000 0.783 62 R N -0.669 119.893 120.500 0.104 0.000 2.152 62 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 62 R C 1.375 177.746 176.300 0.119 0.000 1.117 62 R CA 1.283 57.447 56.100 0.107 0.000 0.981 62 R CB -0.663 29.756 30.300 0.198 0.000 0.870 62 R HN 0.238 nan 8.270 nan 0.000 0.451 63 D N 0.365 120.857 120.400 0.153 0.000 2.317 63 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 63 D C 1.666 178.089 176.300 0.206 0.000 0.966 63 D CA 0.787 54.948 54.000 0.268 0.000 0.876 63 D CB -0.031 40.940 40.800 0.285 0.000 0.927 63 D HN 0.197 nan 8.370 nan 0.000 0.519 64 A N 1.519 124.337 122.820 -0.004 0.000 1.873 64 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 64 A C 2.163 179.659 177.584 -0.146 0.000 1.193 64 A CA 2.279 54.194 52.037 -0.202 0.000 0.629 64 A CB -0.922 17.852 19.000 -0.375 0.000 0.826 64 A HN 0.406 nan 8.150 nan 0.000 0.447 65 Q N -1.290 118.407 119.800 -0.171 0.000 2.197 65 Q HA -0.265 4.075 4.340 -0.000 0.000 0.207 65 Q C 1.761 177.611 176.000 -0.251 0.000 0.984 65 Q CA 1.943 57.607 55.803 -0.232 0.000 0.869 65 Q CB -0.713 27.810 28.738 -0.359 0.000 0.906 65 Q HN 0.784 nan 8.270 nan 0.000 0.426 66 H N -0.869 118.203 119.070 0.003 0.000 2.428 66 H HA -0.006 4.549 4.556 -0.000 0.000 0.296 66 H C 1.550 176.786 175.328 -0.153 0.000 1.062 66 H CA 1.169 57.170 56.048 -0.079 0.000 1.350 66 H CB -0.174 29.528 29.762 -0.100 0.000 1.403 66 H HN 0.322 nan 8.280 nan 0.000 0.533 67 F N 1.213 121.122 119.950 -0.068 0.000 2.149 67 F HA -0.147 4.380 4.527 -0.001 0.000 0.294 67 F C 2.912 178.610 175.800 -0.170 0.000 1.095 67 F CA 1.657 59.581 58.000 -0.126 0.000 1.276 67 F CB -0.534 38.367 39.000 -0.165 0.000 1.023 67 F HN 0.167 nan 8.300 nan 0.000 0.480 68 T N -2.136 112.425 114.554 0.011 0.000 2.915 68 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 68 T C 1.862 176.545 174.700 -0.028 0.000 1.071 68 T CA 1.303 63.368 62.100 -0.059 0.000 1.132 68 T CB -0.612 68.262 68.868 0.011 0.000 0.878 68 T HN 0.345 nan 8.240 nan 0.000 0.479 69 Q N 0.645 120.436 119.800 -0.015 0.000 2.152 69 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 69 Q C 2.092 178.016 176.000 -0.127 0.000 0.985 69 Q CA 1.332 57.123 55.803 -0.021 0.000 0.863 69 Q CB -0.080 28.606 28.738 -0.085 0.000 0.904 69 Q HN 0.340 nan 8.270 nan 0.000 0.422 70 R N -0.201 120.164 120.500 -0.224 0.000 2.357 70 R HA 0.039 4.379 4.340 -0.000 0.000 0.202 70 R C 1.682 177.949 176.300 -0.056 0.000 1.047 70 R CA 0.723 56.720 56.100 -0.173 0.000 1.034 70 R CB -0.602 29.594 30.300 -0.174 0.000 0.875 70 R HN 0.350 nan 8.270 nan 0.000 0.473 71 A N -0.696 122.043 122.820 -0.134 0.000 1.978 71 A HA -0.135 4.184 4.320 -0.000 0.000 0.220 71 A C 0.838 178.420 177.584 -0.004 0.000 1.170 71 A CA 1.282 53.211 52.037 -0.180 0.000 0.636 71 A CB -0.089 18.522 19.000 -0.649 0.000 0.810 71 A HN 0.392 nan 8.150 nan 0.000 0.448 72 C N -3.114 116.262 119.300 0.127 0.000 2.931 72 C HA 0.585 5.045 4.460 -0.000 0.000 0.370 72 C C 1.338 176.533 174.990 0.342 0.000 1.071 72 C CA -0.300 58.862 59.018 0.241 0.000 1.266 72 C CB 1.001 28.921 27.740 0.300 0.000 1.691 72 C HN 0.511 nan 8.230 nan 0.000 0.511 73 G N 3.251 112.201 108.800 0.250 0.000 2.887 73 G HA2 0.149 4.109 3.960 -0.000 0.000 0.211 73 G HA3 0.149 4.109 3.960 -0.000 0.000 0.211 73 G C 1.050 176.008 174.900 0.097 0.000 1.152 73 G CA 0.392 45.555 45.100 0.105 0.000 0.769 73 G HN 0.740 nan 8.290 nan 0.000 0.541 74 I N 1.160 121.833 120.570 0.173 0.000 2.260 74 I HA -0.040 4.130 4.170 -0.000 0.000 0.237 74 I C 1.785 178.036 176.117 0.224 0.000 1.075 74 I CA 0.631 62.062 61.300 0.218 0.000 1.376 74 I CB -0.406 37.755 38.000 0.268 0.000 1.107 74 I HN 0.249 nan 8.210 nan 0.000 0.420 75 C N 1.551 120.986 119.300 0.225 0.000 3.305 75 C HA 0.288 4.747 4.460 -0.000 0.000 0.566 75 C C 1.184 176.322 174.990 0.246 0.000 1.178 75 C CA -0.941 58.202 59.018 0.207 0.000 1.317 75 C CB -2.259 25.579 27.740 0.164 0.000 1.634 75 C HN 0.306 nan 8.230 nan 0.000 0.643 76 T N -0.091 114.612 114.554 0.248 0.000 2.795 76 T HA 0.186 4.536 4.350 -0.000 0.000 0.314 76 T C 0.573 175.487 174.700 0.356 0.000 1.069 76 T CA 1.548 63.836 62.100 0.314 0.000 1.071 76 T CB 0.130 69.120 68.868 0.203 0.000 0.988 76 T HN 1.365 nan 8.240 nan 0.000 0.543 77 Y N 1.059 121.490 120.300 0.218 0.000 2.760 77 Y HA -0.392 4.158 4.550 -0.001 0.000 0.484 77 Y C 1.676 177.630 175.900 0.089 0.000 1.172 77 Y CA 3.486 61.683 58.100 0.162 0.000 2.808 77 Y CB -2.120 36.441 38.460 0.170 0.000 0.948 77 Y HN 0.503 nan 8.280 nan 0.000 0.551 78 V N -0.814 119.011 119.914 -0.149 0.000 2.392 78 V HA -0.267 3.852 4.120 -0.000 0.000 0.249 78 V C 2.227 178.044 176.094 -0.461 0.000 1.059 78 V CA 2.609 64.671 62.300 -0.397 0.000 1.051 78 V CB -0.951 30.728 31.823 -0.240 0.000 0.658 78 V HN 0.705 nan 8.190 nan 0.000 0.455 79 H N 0.889 119.872 119.070 -0.143 0.000 2.395 79 H HA 0.151 4.707 4.556 -0.000 0.000 0.299 79 H C 2.561 177.793 175.328 -0.161 0.000 1.070 79 H CA 1.681 57.677 56.048 -0.087 0.000 1.356 79 H CB -0.275 29.569 29.762 0.137 0.000 1.401 79 H HN 0.602 nan 8.280 nan 0.000 0.524 80 A N 1.468 124.240 122.820 -0.080 0.000 1.908 80 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 80 A C 2.502 179.898 177.584 -0.314 0.000 1.181 80 A CA 1.368 53.304 52.037 -0.169 0.000 0.627 80 A CB -0.764 18.178 19.000 -0.098 0.000 0.818 80 A HN 0.287 nan 8.150 nan 0.000 0.445 81 L N -0.229 120.675 121.223 -0.532 0.000 2.017 81 L HA -0.068 4.271 4.340 -0.000 0.000 0.208 81 L C 2.661 179.266 176.870 -0.441 0.000 1.073 81 L CA 2.390 56.904 54.840 -0.544 0.000 0.745 81 L CB -0.851 40.721 42.059 -0.812 0.000 0.894 81 L HN 0.331 nan 8.230 nan 0.000 0.432 82 A N -1.548 120.951 122.820 -0.536 0.000 1.902 82 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 82 A C 2.394 179.686 177.584 -0.486 0.000 1.181 82 A CA 1.929 53.582 52.037 -0.639 0.000 0.623 82 A CB -0.971 17.429 19.000 -1.000 0.000 0.818 82 A HN 0.532 nan 8.150 nan 0.000 0.443 83 S N 0.096 115.624 115.700 -0.288 0.000 2.382 83 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 83 S C 2.303 176.879 174.600 -0.041 0.000 1.027 83 S CA 1.454 59.744 58.200 0.151 0.000 0.991 83 S CB -0.260 63.099 63.200 0.264 0.000 0.823 83 S HN 0.653 nan 8.310 nan 0.000 0.469 84 S N 1.402 116.997 115.700 -0.175 0.000 2.368 84 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 84 S C 1.902 176.369 174.600 -0.223 0.000 1.029 84 S CA 0.869 58.941 58.200 -0.214 0.000 0.988 84 S CB -0.184 62.864 63.200 -0.253 0.000 0.838 84 S HN 0.434 nan 8.310 nan 0.000 0.462 85 R N 0.196 120.548 120.500 -0.247 0.000 2.096 85 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 85 R C 2.701 178.858 176.300 -0.238 0.000 1.127 85 R CA 1.347 57.295 56.100 -0.252 0.000 0.968 85 R CB -0.821 29.294 30.300 -0.309 0.000 0.861 85 R HN 0.510 nan 8.270 nan 0.000 0.440 86 C N 0.160 119.326 119.300 -0.224 0.000 2.453 86 C HA -0.039 4.420 4.460 -0.000 0.000 0.277 86 C C 2.541 177.445 174.990 -0.144 0.000 1.262 86 C CA 0.623 59.518 59.018 -0.204 0.000 1.718 86 C CB -0.658 26.982 27.740 -0.167 0.000 2.031 86 C HN 0.283 nan 8.230 nan 0.000 0.480 87 V N 1.456 121.300 119.914 -0.115 0.000 2.548 87 V HA -0.107 4.013 4.120 -0.000 0.000 0.249 87 V C 2.273 178.233 176.094 -0.224 0.000 1.055 87 V CA 2.319 64.538 62.300 -0.135 0.000 1.065 87 V CB -0.737 31.009 31.823 -0.128 0.000 0.681 87 V HN 0.525 nan 8.190 nan 0.000 0.462 88 D N 0.184 120.436 120.400 -0.247 0.000 2.117 88 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 88 D C 1.925 178.127 176.300 -0.163 0.000 0.987 88 D CA 1.746 55.598 54.000 -0.248 0.000 0.829 88 D CB -0.307 40.361 40.800 -0.220 0.000 0.961 88 D HN 0.482 nan 8.370 nan 0.000 0.460 89 D N 0.314 120.627 120.400 -0.144 0.000 2.117 89 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 89 D C 1.926 178.186 176.300 -0.066 0.000 0.987 89 D CA 1.634 55.573 54.000 -0.102 0.000 0.829 89 D CB -0.100 40.628 40.800 -0.120 0.000 0.961 89 D HN 0.093 nan 8.370 nan 0.000 0.460 90 A N 0.015 122.794 122.820 -0.068 0.000 1.930 90 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 90 A C 2.336 179.911 177.584 -0.015 0.000 1.175 90 A CA 1.860 53.878 52.037 -0.031 0.000 0.627 90 A CB -0.765 18.223 19.000 -0.020 0.000 0.815 90 A HN 0.375 nan 8.150 nan 0.000 0.443 91 V N -4.698 115.192 119.914 -0.039 0.000 3.623 91 V HA 0.158 4.277 4.120 -0.000 0.000 0.271 91 V C 0.286 176.404 176.094 0.041 0.000 1.248 91 V CA 0.561 62.878 62.300 0.029 0.000 1.156 91 V CB -0.676 31.168 31.823 0.036 0.000 0.870 91 V HN 0.415 nan 8.190 nan 0.000 0.453 92 K N -0.431 119.966 120.400 -0.004 0.000 3.162 92 K HA -0.134 4.186 4.320 -0.000 0.000 0.268 92 K C -0.350 176.260 176.600 0.016 0.000 1.062 92 K CA 0.956 57.245 56.287 0.004 0.000 0.769 92 K CB -2.290 30.222 32.500 0.019 0.000 1.274 92 K HN 0.595 nan 8.250 nan 0.000 0.478 93 V N 0.769 120.677 119.914 -0.010 0.000 2.435 93 V HA 0.403 4.523 4.120 -0.000 0.000 0.290 93 V C -0.070 176.008 176.094 -0.027 0.000 1.030 93 V CA -0.433 61.870 62.300 0.005 0.000 0.881 93 V CB 1.924 33.753 31.823 0.010 0.000 0.983 93 V HN 0.416 nan 8.190 nan 0.000 0.445 94 S N 7.324 123.021 115.700 -0.004 0.000 2.438 94 S HA 0.483 4.953 4.470 -0.000 0.000 0.293 94 S C -0.028 174.566 174.600 -0.009 0.000 1.141 94 S CA -0.834 57.358 58.200 -0.013 0.000 1.080 94 S CB 0.227 63.427 63.200 0.000 0.000 0.978 94 S HN 0.762 nan 8.310 nan 0.000 0.479 95 I N 3.024 123.576 120.570 -0.029 0.000 2.836 95 I HA 0.439 4.608 4.170 -0.000 0.000 0.285 95 I C -2.364 173.752 176.117 -0.002 0.000 1.174 95 I CA -1.907 59.379 61.300 -0.024 0.000 1.405 95 I CB -0.291 37.678 38.000 -0.051 0.000 1.385 95 I HN 0.344 nan 8.210 nan 0.000 0.594 96 P HA 0.113 nan 4.420 nan 0.000 0.269 96 P C 0.368 177.675 177.300 0.011 0.000 1.215 96 P CA -0.150 62.962 63.100 0.020 0.000 0.780 96 P CB 0.924 32.644 31.700 0.033 0.000 0.898 97 A N 2.541 125.371 122.820 0.017 0.000 1.917 97 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 97 A C 1.931 179.522 177.584 0.011 0.000 1.182 97 A CA 1.968 54.014 52.037 0.014 0.000 0.633 97 A CB -1.317 17.695 19.000 0.021 0.000 0.819 97 A HN 0.552 nan 8.150 nan 0.000 0.448 98 N N 0.184 118.895 118.700 0.018 0.000 2.223 98 N HA -0.105 4.634 4.740 -0.000 0.000 0.185 98 N C 1.811 177.323 175.510 0.004 0.000 1.016 98 N CA 1.480 54.539 53.050 0.014 0.000 0.863 98 N CB -0.513 37.989 38.487 0.025 0.000 0.983 98 N HN 0.526 nan 8.380 nan 0.000 0.429 99 A N 1.207 124.026 122.820 -0.001 0.000 1.897 99 A HA -0.094 4.225 4.320 -0.000 0.000 0.215 99 A C 2.260 179.844 177.584 0.001 0.000 1.181 99 A CA 1.102 53.136 52.037 -0.005 0.000 0.620 99 A CB -0.463 18.521 19.000 -0.027 0.000 0.821 99 A HN 0.231 nan 8.150 nan 0.000 0.443 100 R N -0.643 119.850 120.500 -0.011 0.000 2.096 100 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 100 R C 2.146 178.430 176.300 -0.027 0.000 1.139 100 R CA 2.200 58.288 56.100 -0.020 0.000 0.952 100 R CB -0.372 29.914 30.300 -0.022 0.000 0.854 100 R HN 0.552 nan 8.270 nan 0.000 0.436 101 M N -0.153 119.432 119.600 -0.025 0.000 2.086 101 M HA -0.198 4.281 4.480 -0.000 0.000 0.261 101 M C 2.561 178.842 176.300 -0.031 0.000 1.067 101 M CA 1.844 57.119 55.300 -0.042 0.000 1.116 101 M CB -0.245 32.348 32.600 -0.012 0.000 1.348 101 M HN 0.298 nan 8.290 nan 0.000 0.407 102 M N -0.128 119.471 119.600 -0.001 0.000 2.132 102 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 102 M C 2.183 178.533 176.300 0.083 0.000 1.065 102 M CA 1.766 57.068 55.300 0.003 0.000 1.122 102 M CB -0.078 32.545 32.600 0.038 0.000 1.365 102 M HN 0.109 nan 8.290 nan 0.000 0.411 103 R N -0.142 120.455 120.500 0.161 0.000 2.096 103 R HA -0.112 4.227 4.340 -0.000 0.000 0.235 103 R C 1.693 178.106 176.300 0.189 0.000 1.127 103 R CA 1.588 57.850 56.100 0.270 0.000 0.968 103 R CB -0.398 29.997 30.300 0.158 0.000 0.861 103 R HN 0.441 nan 8.270 nan 0.000 0.440 104 N N 0.507 119.230 118.700 0.040 0.000 2.216 104 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 104 N C 1.725 177.236 175.510 0.003 0.000 1.017 104 N CA 0.843 53.877 53.050 -0.027 0.000 0.861 104 N CB -0.084 38.307 38.487 -0.159 0.000 0.986 104 N HN 0.139 nan 8.380 nan 0.000 0.428 105 L N 0.036 121.244 121.223 -0.025 0.000 2.056 105 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 105 L C 1.987 178.906 176.870 0.082 0.000 1.078 105 L CA 0.683 55.557 54.840 0.057 0.000 0.749 105 L CB -0.269 41.843 42.059 0.088 0.000 0.901 105 L HN -0.009 nan 8.230 nan 0.000 0.433 106 V N -0.630 119.245 119.914 -0.066 0.000 2.343 106 V HA -0.339 3.781 4.120 -0.000 0.000 0.247 106 V C 2.430 178.492 176.094 -0.053 0.000 1.051 106 V CA 1.842 63.992 62.300 -0.250 0.000 1.036 106 V CB -0.419 30.986 31.823 -0.697 0.000 0.654 106 V HN 0.429 nan 8.190 nan 0.000 0.451 107 M N 1.136 120.861 119.600 0.210 0.000 2.065 107 M HA -0.154 4.325 4.480 -0.000 0.000 0.259 107 M C 2.120 178.629 176.300 0.349 0.000 1.069 107 M CA 2.360 57.879 55.300 0.365 0.000 1.110 107 M CB -0.902 31.813 32.600 0.192 0.000 1.328 107 M HN 0.257 nan 8.290 nan 0.000 0.405 108 A N -1.072 121.945 122.820 0.328 0.000 1.892 108 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 108 A C 2.292 180.013 177.584 0.228 0.000 1.188 108 A CA 2.559 54.731 52.037 0.225 0.000 0.631 108 A CB -1.377 17.693 19.000 0.117 0.000 0.822 108 A HN 0.618 nan 8.150 nan 0.000 0.447 109 S N -0.837 114.984 115.700 0.202 0.000 2.383 109 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 109 S C 2.119 176.840 174.600 0.203 0.000 1.030 109 S CA 1.670 59.975 58.200 0.175 0.000 1.002 109 S CB -0.279 63.022 63.200 0.168 0.000 0.829 109 S HN 0.706 nan 8.310 nan 0.000 0.467 110 Q N 0.370 120.313 119.800 0.238 0.000 2.079 110 Q HA -0.093 4.246 4.340 -0.000 0.000 0.200 110 Q C 1.593 177.764 176.000 0.285 0.000 0.974 110 Q CA 1.631 57.595 55.803 0.269 0.000 0.840 110 Q CB -0.607 28.324 28.738 0.321 0.000 0.898 110 Q HN 0.555 nan 8.270 nan 0.000 0.430 111 Y N 0.246 120.602 120.300 0.095 0.000 2.165 111 Y HA -0.215 4.335 4.550 -0.001 0.000 0.286 111 Y C 2.000 177.876 175.900 -0.039 0.000 1.155 111 Y CA 1.469 59.525 58.100 -0.072 0.000 1.164 111 Y CB -0.356 38.145 38.460 0.069 0.000 0.978 111 Y HN 0.123 nan 8.280 nan 0.000 0.513 112 L N -1.490 119.897 121.223 0.274 0.000 2.005 112 L HA -0.271 4.069 4.340 -0.000 0.000 0.207 112 L C 2.611 179.599 176.870 0.197 0.000 1.072 112 L CA 1.838 56.819 54.840 0.235 0.000 0.744 112 L CB -0.952 41.219 42.059 0.186 0.000 0.895 112 L HN 0.337 nan 8.230 nan 0.000 0.433 113 H N 0.157 119.293 119.070 0.109 0.000 2.289 113 H HA -0.244 4.312 4.556 -0.000 0.000 0.296 113 H C 1.907 177.283 175.328 0.079 0.000 1.091 113 H CA 2.324 58.416 56.048 0.075 0.000 1.274 113 H CB 0.047 29.845 29.762 0.060 0.000 1.364 113 H HN 0.323 nan 8.280 nan 0.000 0.490 114 D N -0.362 120.125 120.400 0.145 0.000 2.084 114 D HA -0.156 4.483 4.640 -0.000 0.000 0.194 114 D C 2.178 178.566 176.300 0.146 0.000 0.990 114 D CA 1.127 55.200 54.000 0.120 0.000 0.826 114 D CB -0.277 40.578 40.800 0.092 0.000 0.971 114 D HN 0.449 nan 8.370 nan 0.000 0.453 115 H N 0.296 119.426 119.070 0.099 0.000 2.353 115 H HA -0.021 4.535 4.556 -0.000 0.000 0.300 115 H C 2.361 177.683 175.328 -0.010 0.000 1.090 115 H CA 0.502 56.630 56.048 0.134 0.000 1.327 115 H CB -0.622 29.296 29.762 0.260 0.000 1.383 115 H HN 0.188 nan 8.280 nan 0.000 0.508 116 L N -0.451 120.802 121.223 0.051 0.000 2.017 116 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 116 L C 2.496 179.271 176.870 -0.158 0.000 1.073 116 L CA 0.861 55.622 54.840 -0.132 0.000 0.745 116 L CB -0.322 41.730 42.059 -0.011 0.000 0.894 116 L HN 0.100 nan 8.230 nan 0.000 0.432 117 V N -0.905 118.876 119.914 -0.222 0.000 2.343 117 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 117 V C 2.462 178.271 176.094 -0.476 0.000 1.051 117 V CA 1.916 64.026 62.300 -0.316 0.000 1.036 117 V CB -0.862 30.728 31.823 -0.390 0.000 0.654 117 V HN 0.554 nan 8.190 nan 0.000 0.451 118 H N -0.687 118.181 119.070 -0.337 0.000 2.293 118 H HA -0.236 4.320 4.556 -0.000 0.000 0.300 118 H C 2.317 177.603 175.328 -0.071 0.000 1.082 118 H CA 2.503 58.445 56.048 -0.178 0.000 1.308 118 H CB -0.216 29.608 29.762 0.104 0.000 1.375 118 H HN 0.408 nan 8.280 nan 0.000 0.495 119 F N 0.861 120.671 119.950 -0.234 0.000 2.046 119 F HA -0.280 4.247 4.527 -0.001 0.000 0.297 119 F C 2.072 177.626 175.800 -0.410 0.000 1.123 119 F CA 1.843 59.648 58.000 -0.326 0.000 1.199 119 F CB -0.889 37.765 39.000 -0.576 0.000 0.972 119 F HN 0.099 nan 8.300 nan 0.000 0.474 120 Y N -0.511 119.536 120.300 -0.421 0.000 2.153 120 Y HA -0.137 4.413 4.550 -0.000 0.000 0.289 120 Y C 2.661 178.305 175.900 -0.427 0.000 1.127 120 Y CA 2.318 60.108 58.100 -0.518 0.000 1.131 120 Y CB -1.044 37.026 38.460 -0.650 0.000 0.995 120 Y HN 0.197 nan 8.280 nan 0.000 0.505 121 H N -2.955 116.019 119.070 -0.161 0.000 2.547 121 H HA 0.035 4.591 4.556 -0.000 0.000 0.272 121 H C 1.027 176.418 175.328 0.106 0.000 0.971 121 H CA 0.690 56.651 56.048 -0.145 0.000 1.245 121 H CB 0.116 29.643 29.762 -0.391 0.000 1.440 121 H HN 0.177 nan 8.280 nan 0.000 0.540 122 F N -1.356 118.532 119.950 -0.104 0.000 2.453 122 F HA 0.116 4.642 4.527 -0.001 0.000 0.284 122 F C 2.303 177.843 175.800 -0.434 0.000 1.065 122 F CA 0.764 58.594 58.000 -0.283 0.000 1.411 122 F CB -0.705 38.105 39.000 -0.317 0.000 1.131 122 F HN 0.226 nan 8.300 nan 0.000 0.582 123 H N -0.762 118.062 119.070 -0.409 0.000 2.418 123 H HA 0.221 4.777 4.556 -0.000 0.000 0.300 123 H C 2.192 177.419 175.328 -0.169 0.000 1.041 123 H CA 0.709 56.557 56.048 -0.332 0.000 1.364 123 H CB 0.474 30.051 29.762 -0.309 0.000 1.439 123 H HN 0.111 nan 8.280 nan 0.000 0.540 124 A N 1.156 123.837 122.820 -0.232 0.000 1.948 124 A HA -0.171 4.148 4.320 -0.000 0.000 0.220 124 A C 2.222 179.812 177.584 0.011 0.000 1.177 124 A CA 1.186 53.081 52.037 -0.236 0.000 0.636 124 A CB -0.819 17.977 19.000 -0.341 0.000 0.815 124 A HN 0.423 nan 8.150 nan 0.000 0.449 125 L N -0.444 120.832 121.223 0.088 0.000 2.456 125 L HA -0.133 4.207 4.340 -0.000 0.000 0.224 125 L C 1.277 178.281 176.870 0.224 0.000 1.148 125 L CA 0.753 55.719 54.840 0.209 0.000 0.825 125 L CB -0.512 41.741 42.059 0.323 0.000 0.937 125 L HN 0.305 nan 8.230 nan 0.000 0.450 126 D N -0.888 119.479 120.400 -0.055 0.000 2.312 126 D HA -0.138 4.501 4.640 -0.000 0.000 0.211 126 D C 1.502 177.254 176.300 -0.914 0.000 0.964 126 D CA 1.150 54.882 54.000 -0.448 0.000 0.877 126 D CB 0.038 40.380 40.800 -0.764 0.000 0.924 126 D HN 0.442 nan 8.370 nan 0.000 0.515 127 W N -0.207 120.855 121.300 -0.396 0.000 2.942 127 W HA 0.246 4.905 4.660 -0.001 0.000 0.260 127 W C 0.175 176.620 176.519 -0.123 0.000 1.101 127 W CA -0.207 56.788 57.345 -0.583 0.000 1.436 127 W CB 0.320 29.357 29.460 -0.706 0.000 0.883 127 W HN -0.371 nan 8.180 nan 0.000 0.646 128 V N 2.748 122.777 119.914 0.190 0.000 2.394 128 V HA 0.153 4.272 4.120 -0.000 0.000 0.282 128 V C -0.455 175.508 176.094 -0.219 0.000 1.031 128 V CA -0.495 61.828 62.300 0.038 0.000 0.881 128 V CB 1.230 33.011 31.823 -0.070 0.000 0.982 128 V HN -0.117 nan 8.190 nan 0.000 0.451 129 D N 4.503 124.687 120.400 -0.360 0.000 2.411 129 D HA 0.178 4.818 4.640 -0.000 0.000 0.225 129 D C 0.863 176.583 176.300 -0.968 0.000 1.156 129 D CA -0.124 53.280 54.000 -0.994 0.000 0.874 129 D CB 1.698 42.197 40.800 -0.501 0.000 1.034 129 D HN 0.222 nan 8.370 nan 0.000 0.502 130 V N 3.462 122.495 119.914 -1.469 0.000 2.407 130 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 130 V C 2.535 178.325 176.094 -0.507 0.000 1.055 130 V CA 2.436 64.236 62.300 -0.833 0.000 1.049 130 V CB -0.793 30.473 31.823 -0.929 0.000 0.662 130 V HN 0.755 nan 8.190 nan 0.000 0.455 131 T N -1.484 112.827 114.554 -0.405 0.000 2.951 131 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 131 T C 1.866 176.481 174.700 -0.142 0.000 1.073 131 T CA 1.124 63.129 62.100 -0.158 0.000 1.134 131 T CB -0.316 68.553 68.868 0.002 0.000 0.884 131 T HN 0.446 nan 8.240 nan 0.000 0.479 132 A N 1.603 124.309 122.820 -0.190 0.000 2.067 132 A HA 0.448 4.767 4.320 -0.000 0.000 0.219 132 A C 2.693 180.203 177.584 -0.122 0.000 1.158 132 A CA 1.302 53.262 52.037 -0.129 0.000 0.661 132 A CB -1.155 17.769 19.000 -0.126 0.000 0.801 132 A HN 0.708 nan 8.150 nan 0.000 0.452 133 A N -0.271 122.452 122.820 -0.162 0.000 2.125 133 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 133 A C 1.949 179.478 177.584 -0.092 0.000 1.156 133 A CA 1.184 53.142 52.037 -0.132 0.000 0.671 133 A CB -0.511 18.392 19.000 -0.162 0.000 0.794 133 A HN 0.497 nan 8.150 nan 0.000 0.459 134 L N -1.202 119.972 121.223 -0.082 0.000 2.291 134 L HA -0.076 4.264 4.340 -0.000 0.000 0.214 134 L C 1.964 178.811 176.870 -0.037 0.000 1.120 134 L CA 1.001 55.812 54.840 -0.049 0.000 0.799 134 L CB -0.208 41.830 42.059 -0.036 0.000 0.925 134 L HN 0.331 nan 8.230 nan 0.000 0.446 135 K N 0.231 120.605 120.400 -0.043 0.000 2.404 135 K HA 0.208 4.527 4.320 -0.000 0.000 0.194 135 K C 0.731 177.313 176.600 -0.032 0.000 1.023 135 K CA -0.136 56.132 56.287 -0.031 0.000 1.094 135 K CB 0.340 32.823 32.500 -0.028 0.000 0.841 135 K HN 0.136 nan 8.250 nan 0.000 0.523 136 A N 2.090 124.885 122.820 -0.041 0.000 2.388 136 A HA 0.025 4.345 4.320 -0.000 0.000 0.257 136 A C -0.251 177.316 177.584 -0.027 0.000 1.095 136 A CA -0.401 51.613 52.037 -0.038 0.000 0.791 136 A CB 0.281 19.250 19.000 -0.051 0.000 1.029 136 A HN 0.121 nan 8.150 nan 0.000 0.489 137 D N 2.722 123.109 120.400 -0.021 0.000 2.371 137 D HA 0.183 4.822 4.640 -0.000 0.000 0.256 137 D C -1.686 174.604 176.300 -0.017 0.000 1.193 137 D CA -1.429 52.562 54.000 -0.015 0.000 0.881 137 D CB 1.246 42.040 40.800 -0.010 0.000 1.143 137 D HN 0.165 nan 8.370 nan 0.000 0.473 138 P HA -0.009 nan 4.420 nan 0.000 0.227 138 P C 0.842 178.135 177.300 -0.011 0.000 1.161 138 P CA 0.382 63.472 63.100 -0.017 0.000 0.788 138 P CB 0.446 32.137 31.700 -0.014 0.000 0.822 139 N N 0.070 118.766 118.700 -0.007 0.000 2.142 139 N HA -0.122 4.617 4.740 -0.000 0.000 0.186 139 N C 1.628 177.136 175.510 -0.003 0.000 1.023 139 N CA 1.085 54.133 53.050 -0.004 0.000 0.852 139 N CB -0.514 37.971 38.487 -0.002 0.000 0.998 139 N HN 0.195 nan 8.380 nan 0.000 0.424 140 K N 0.884 121.282 120.400 -0.004 0.000 2.026 140 K HA -0.004 4.316 4.320 -0.000 0.000 0.208 140 K C 1.944 178.543 176.600 -0.002 0.000 1.048 140 K CA 1.183 57.470 56.287 -0.001 0.000 0.929 140 K CB -0.085 32.414 32.500 -0.002 0.000 0.713 140 K HN 0.088 nan 8.250 nan 0.000 0.439 141 A N 1.125 123.939 122.820 -0.009 0.000 1.883 141 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 141 A C 2.329 179.908 177.584 -0.008 0.000 1.186 141 A CA 2.093 54.121 52.037 -0.015 0.000 0.624 141 A CB -0.916 18.066 19.000 -0.030 0.000 0.822 141 A HN 0.490 nan 8.150 nan 0.000 0.444 142 A N -0.365 122.452 122.820 -0.005 0.000 1.908 142 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 142 A C 2.134 179.723 177.584 0.007 0.000 1.181 142 A CA 1.876 53.915 52.037 0.003 0.000 0.627 142 A CB -0.460 18.542 19.000 0.003 0.000 0.818 142 A HN 0.554 nan 8.150 nan 0.000 0.445 143 K N -0.947 119.456 120.400 0.006 0.000 2.026 143 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 143 K C 1.965 178.572 176.600 0.012 0.000 1.048 143 K CA 1.507 57.799 56.287 0.008 0.000 0.929 143 K CB -0.437 32.067 32.500 0.006 0.000 0.713 143 K HN 0.426 nan 8.250 nan 0.000 0.439 144 L N 0.979 122.211 121.223 0.015 0.000 2.131 144 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 144 L C 2.138 179.024 176.870 0.027 0.000 1.092 144 L CA 1.700 56.555 54.840 0.025 0.000 0.759 144 L CB -0.466 41.613 42.059 0.033 0.000 0.903 144 L HN 0.103 nan 8.230 nan 0.000 0.435 145 A N -0.388 122.448 122.820 0.025 0.000 1.930 145 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 145 A C 2.468 180.069 177.584 0.028 0.000 1.175 145 A CA 1.394 53.453 52.037 0.036 0.000 0.627 145 A CB -1.083 17.942 19.000 0.042 0.000 0.815 145 A HN 0.570 nan 8.150 nan 0.000 0.443 146 A N 0.461 123.292 122.820 0.019 0.000 1.978 146 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 146 A C 2.447 180.034 177.584 0.004 0.000 1.170 146 A CA 2.360 54.403 52.037 0.010 0.000 0.636 146 A CB -0.812 18.192 19.000 0.007 0.000 0.810 146 A HN 0.980 nan 8.150 nan 0.000 0.448 147 S N -0.211 115.493 115.700 0.007 0.000 2.470 147 S HA 0.048 4.518 4.470 -0.000 0.000 0.225 147 S C 1.430 176.029 174.600 -0.002 0.000 1.006 147 S CA 0.880 59.081 58.200 0.002 0.000 0.934 147 S CB -0.537 62.666 63.200 0.005 0.000 0.778 147 S HN 0.886 nan 8.310 nan 0.000 0.517 148 I N -1.885 118.688 120.570 0.005 0.000 4.154 148 I HA 0.748 4.918 4.170 -0.000 0.000 0.334 148 I C 0.250 176.360 176.117 -0.011 0.000 1.371 148 I CA -0.602 60.698 61.300 -0.001 0.000 1.110 148 I CB 0.651 38.662 38.000 0.018 0.000 1.085 148 I HN 0.307 nan 8.210 nan 0.000 0.398 149 A N 0.719 123.534 122.820 -0.009 0.000 2.604 149 A HA 0.760 5.080 4.320 -0.000 0.000 0.295 149 A C -2.917 174.652 177.584 -0.025 0.000 1.067 149 A CA -1.250 50.773 52.037 -0.023 0.000 0.683 149 A CB 0.333 19.330 19.000 -0.005 0.000 1.281 149 A HN -0.050 nan 8.150 nan 0.000 0.407 150 P HA 0.246 nan 4.420 nan 0.000 0.263 150 P C 0.226 177.512 177.300 -0.023 0.000 1.175 150 P CA 0.747 63.825 63.100 -0.037 0.000 0.761 150 P CB 0.411 32.081 31.700 -0.051 0.000 0.794 151 A N 4.506 127.316 122.820 -0.016 0.000 2.567 151 A HA 0.257 4.576 4.320 -0.000 0.000 0.240 151 A C 0.681 178.262 177.584 -0.005 0.000 1.053 151 A CA 0.479 52.513 52.037 -0.006 0.000 0.755 151 A CB -0.378 18.618 19.000 -0.007 0.000 0.978 151 A HN 0.694 nan 8.150 nan 0.000 0.507 152 R N 2.135 122.639 120.500 0.006 0.000 2.663 152 R HA 0.509 4.849 4.340 -0.000 0.000 0.267 152 R C -2.920 173.393 176.300 0.022 0.000 1.038 152 R CA -1.387 54.719 56.100 0.010 0.000 0.886 152 R CB 0.945 31.247 30.300 0.004 0.000 1.249 152 R HN 0.341 nan 8.270 nan 0.000 0.463 153 P HA 0.025 nan 4.420 nan 0.000 0.227 153 P C 1.198 178.517 177.300 0.032 0.000 1.161 153 P CA 1.250 64.363 63.100 0.022 0.000 0.788 153 P CB 0.040 31.749 31.700 0.015 0.000 0.822 154 G N 0.353 109.181 108.800 0.048 0.000 2.509 154 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 154 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 154 G C 1.218 176.174 174.900 0.093 0.000 1.124 154 G CA 0.346 45.490 45.100 0.073 0.000 0.776 154 G HN 0.245 nan 8.290 nan 0.000 0.547 155 N N 0.083 118.834 118.700 0.084 0.000 2.230 155 N HA 0.111 4.851 4.740 -0.000 0.000 0.202 155 N C 0.890 176.422 175.510 0.036 0.000 1.119 155 N CA 0.088 53.186 53.050 0.080 0.000 0.851 155 N CB 0.645 39.193 38.487 0.102 0.000 0.990 155 N HN 0.321 nan 8.380 nan 0.000 0.497 156 S N -0.690 115.026 115.700 0.027 0.000 2.603 156 S HA 0.476 4.945 4.470 -0.000 0.000 0.268 156 S C 1.626 176.231 174.600 0.008 0.000 1.317 156 S CA -0.214 57.995 58.200 0.015 0.000 1.012 156 S CB 1.598 64.806 63.200 0.013 0.000 0.926 156 S HN 0.169 nan 8.310 nan 0.000 0.539 157 A N 2.307 125.129 122.820 0.004 0.000 1.892 157 A HA -0.190 4.129 4.320 -0.000 0.000 0.218 157 A C 2.174 179.758 177.584 -0.000 0.000 1.188 157 A CA 2.052 54.089 52.037 -0.000 0.000 0.631 157 A CB -1.090 17.910 19.000 0.000 0.000 0.822 157 A HN 0.975 nan 8.150 nan 0.000 0.447 158 K N -0.263 120.139 120.400 0.002 0.000 2.032 158 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 158 K C 2.173 178.775 176.600 0.002 0.000 1.048 158 K CA 1.583 57.871 56.287 0.002 0.000 0.927 158 K CB -0.430 32.072 32.500 0.004 0.000 0.712 158 K HN 0.359 nan 8.250 nan 0.000 0.441 159 A N 1.554 124.377 122.820 0.005 0.000 1.902 159 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 159 A C 2.230 179.814 177.584 0.000 0.000 1.181 159 A CA 1.335 53.376 52.037 0.006 0.000 0.623 159 A CB -0.542 18.468 19.000 0.017 0.000 0.818 159 A HN 0.361 nan 8.150 nan 0.000 0.443 160 L N -0.969 120.251 121.223 -0.005 0.000 2.217 160 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 160 L C 2.575 179.435 176.870 -0.017 0.000 1.107 160 L CA 1.447 56.276 54.840 -0.019 0.000 0.783 160 L CB -0.343 41.700 42.059 -0.027 0.000 0.919 160 L HN 0.466 nan 8.230 nan 0.000 0.442 161 K N 0.631 121.026 120.400 -0.010 0.000 2.057 161 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 161 K C 2.181 178.780 176.600 -0.003 0.000 1.050 161 K CA 1.234 57.517 56.287 -0.007 0.000 0.935 161 K CB -0.017 32.481 32.500 -0.003 0.000 0.715 161 K HN 0.231 nan 8.250 nan 0.000 0.439 162 A N 0.806 123.625 122.820 -0.001 0.000 1.877 162 A HA -0.121 4.198 4.320 -0.000 0.000 0.216 162 A C 2.240 179.826 177.584 0.003 0.000 1.186 162 A CA 1.656 53.695 52.037 0.003 0.000 0.620 162 A CB -0.757 18.244 19.000 0.002 0.000 0.822 162 A HN 0.168 nan 8.150 nan 0.000 0.443 163 V N -0.088 119.824 119.914 -0.003 0.000 2.252 163 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 163 V C 2.744 178.834 176.094 -0.006 0.000 1.056 163 V CA 2.501 64.798 62.300 -0.006 0.000 1.022 163 V CB -0.848 30.966 31.823 -0.015 0.000 0.641 163 V HN 0.732 nan 8.190 nan 0.000 0.445 164 Q N -0.666 119.127 119.800 -0.013 0.000 2.050 164 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 164 Q C 2.053 178.057 176.000 0.007 0.000 0.980 164 Q CA 2.030 57.825 55.803 -0.013 0.000 0.840 164 Q CB -0.131 28.596 28.738 -0.019 0.000 0.898 164 Q HN 0.648 nan 8.270 nan 0.000 0.424 165 D N 0.144 120.551 120.400 0.012 0.000 2.123 165 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 165 D C 1.638 177.963 176.300 0.042 0.000 0.992 165 D CA 1.139 55.153 54.000 0.023 0.000 0.833 165 D CB -0.104 40.708 40.800 0.019 0.000 0.954 165 D HN 0.191 nan 8.370 nan 0.000 0.455 166 K N 0.053 120.478 120.400 0.041 0.000 2.026 166 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 166 K C 2.163 178.824 176.600 0.101 0.000 1.048 166 K CA 0.662 56.985 56.287 0.061 0.000 0.929 166 K CB -0.247 32.275 32.500 0.037 0.000 0.713 166 K HN -0.013 nan 8.250 nan 0.000 0.439 167 L N 1.648 122.916 121.223 0.076 0.000 2.042 167 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 167 L C 2.327 179.286 176.870 0.149 0.000 1.076 167 L CA 1.736 56.641 54.840 0.109 0.000 0.749 167 L CB -0.301 41.772 42.059 0.024 0.000 0.893 167 L HN 0.129 nan 8.230 nan 0.000 0.432 168 K N -1.184 119.268 120.400 0.086 0.000 2.009 168 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 168 K C 2.071 178.724 176.600 0.088 0.000 1.049 168 K CA 1.425 57.753 56.287 0.068 0.000 0.929 168 K CB -0.304 32.219 32.500 0.038 0.000 0.714 168 K HN 0.413 nan 8.250 nan 0.000 0.440 169 A N 0.690 123.570 122.820 0.100 0.000 1.892 169 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 169 A C 2.030 179.699 177.584 0.142 0.000 1.188 169 A CA 1.655 53.753 52.037 0.101 0.000 0.631 169 A CB -0.868 18.192 19.000 0.100 0.000 0.822 169 A HN 0.495 nan 8.150 nan 0.000 0.447 170 F N 0.592 120.571 119.950 0.047 0.000 2.102 170 F HA -0.140 4.386 4.527 -0.000 0.000 0.298 170 F C 2.221 178.064 175.800 0.071 0.000 1.105 170 F CA 2.045 60.086 58.000 0.068 0.000 1.239 170 F CB -0.278 38.783 39.000 0.102 0.000 0.991 170 F HN 0.025 nan 8.300 nan 0.000 0.474 171 V N 0.195 120.164 119.914 0.092 0.000 2.453 171 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 171 V C 2.031 178.087 176.094 -0.064 0.000 1.048 171 V CA 2.042 64.327 62.300 -0.025 0.000 1.049 171 V CB -0.644 31.227 31.823 0.080 0.000 0.672 171 V HN 0.306 nan 8.190 nan 0.000 0.457 172 E N 0.634 120.821 120.200 -0.021 0.000 2.418 172 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 172 E C 2.234 178.807 176.600 -0.045 0.000 1.026 172 E CA 1.061 57.447 56.400 -0.023 0.000 0.862 172 E CB -0.114 29.586 29.700 0.001 0.000 0.799 172 E HN 0.757 nan 8.360 nan 0.000 0.518 173 S N -0.619 115.033 115.700 -0.080 0.000 2.423 173 S HA -0.048 4.421 4.470 -0.000 0.000 0.231 173 S C 1.872 176.409 174.600 -0.105 0.000 1.014 173 S CA 0.814 58.960 58.200 -0.090 0.000 0.965 173 S CB -0.099 63.027 63.200 -0.123 0.000 0.785 173 S HN 0.384 nan 8.310 nan 0.000 0.495 174 G N 0.309 109.029 108.800 -0.134 0.000 2.199 174 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.254 174 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.254 174 G C 0.001 174.816 174.900 -0.141 0.000 0.982 174 G CA 0.250 45.285 45.100 -0.109 0.000 0.632 174 G HN 0.606 nan 8.290 nan 0.000 0.529 175 Q N 0.181 119.848 119.800 -0.223 0.000 2.563 175 Q HA 0.583 4.922 4.340 -0.000 0.000 0.232 175 Q C 1.480 177.225 176.000 -0.425 0.000 1.106 175 Q CA -0.505 55.160 55.803 -0.230 0.000 0.913 175 Q CB 0.619 29.258 28.738 -0.164 0.000 1.175 175 Q HN 0.455 nan 8.270 nan 0.000 0.540 176 L N 0.905 121.977 121.223 -0.252 0.000 2.478 176 L HA -0.009 4.330 4.340 -0.000 0.000 0.223 176 L C 1.380 178.316 176.870 0.110 0.000 1.140 176 L CA 0.676 55.425 54.840 -0.152 0.000 0.842 176 L CB -0.540 41.543 42.059 0.039 0.000 0.953 176 L HN 0.923 nan 8.230 nan 0.000 0.452 177 G N 2.186 111.022 108.800 0.060 0.000 2.634 177 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.318 177 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.318 177 G C 0.819 175.733 174.900 0.025 0.000 1.207 177 G CA 0.644 45.814 45.100 0.118 0.000 0.987 177 G HN 0.460 nan 8.290 nan 0.000 0.547 178 I N -1.946 118.562 120.570 -0.103 0.000 3.176 178 I HA 0.323 4.493 4.170 -0.000 0.000 0.275 178 I C 1.980 177.940 176.117 -0.261 0.000 1.298 178 I CA 1.405 62.559 61.300 -0.244 0.000 1.445 178 I CB -0.277 37.512 38.000 -0.351 0.000 1.075 178 I HN 0.163 nan 8.210 nan 0.000 0.482 179 F N 1.388 121.419 119.950 0.135 0.000 2.727 179 F HA 0.236 4.763 4.527 -0.000 0.000 0.302 179 F C 1.141 176.922 175.800 -0.031 0.000 1.097 179 F CA -0.561 57.478 58.000 0.066 0.000 1.330 179 F CB -0.984 38.132 39.000 0.193 0.000 1.084 179 F HN -0.135 nan 8.300 nan 0.000 0.578 180 T N 2.612 117.228 114.554 0.103 0.000 2.871 180 T HA -0.054 4.296 4.350 -0.000 0.000 0.296 180 T C 0.623 175.317 174.700 -0.011 0.000 0.998 180 T CA 0.198 62.319 62.100 0.034 0.000 1.162 180 T CB -0.110 68.767 68.868 0.014 0.000 0.947 180 T HN 0.264 nan 8.240 nan 0.000 0.536 181 N N -0.351 118.336 118.700 -0.022 0.000 2.714 181 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 181 N C 0.148 175.607 175.510 -0.085 0.000 1.117 181 N CA 0.846 53.880 53.050 -0.027 0.000 0.719 181 N CB -1.616 36.876 38.487 0.007 0.000 1.081 181 N HN 0.933 nan 8.380 nan 0.000 0.557 182 A N -0.338 122.348 122.820 -0.223 0.000 2.498 182 A HA 0.219 4.538 4.320 -0.000 0.000 0.239 182 A C 1.148 178.500 177.584 -0.386 0.000 1.068 182 A CA -0.061 51.674 52.037 -0.503 0.000 0.766 182 A CB 0.167 18.544 19.000 -1.038 0.000 1.003 182 A HN 0.218 nan 8.150 nan 0.000 0.497 183 Y N 1.753 121.824 120.300 -0.381 0.000 2.315 183 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 183 Y C 1.799 177.601 175.900 -0.163 0.000 1.154 183 Y CA 1.910 59.921 58.100 -0.149 0.000 1.229 183 Y CB -1.006 37.447 38.460 -0.011 0.000 0.980 183 Y HN 0.833 nan 8.280 nan 0.000 0.540 184 F N -1.346 118.519 119.950 -0.140 0.000 2.780 184 F HA 0.203 4.729 4.527 -0.000 0.000 0.299 184 F C 0.408 176.097 175.800 -0.184 0.000 1.146 184 F CA -0.741 56.986 58.000 -0.454 0.000 1.428 184 F CB -1.349 37.092 39.000 -0.933 0.000 1.115 184 F HN -0.267 nan 8.300 nan 0.000 0.583 185 L N 2.294 123.459 121.223 -0.097 0.000 2.477 185 L HA 0.305 4.645 4.340 -0.000 0.000 0.272 185 L C 1.370 178.263 176.870 0.038 0.000 1.157 185 L CA 0.674 55.518 54.840 0.006 0.000 0.889 185 L CB -0.043 41.980 42.059 -0.060 0.000 1.158 185 L HN 0.625 nan 8.230 nan 0.000 0.473 186 G N 2.256 111.086 108.800 0.050 0.000 2.136 186 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.242 186 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.242 186 G C 0.565 175.495 174.900 0.050 0.000 0.989 186 G CA 0.147 45.271 45.100 0.039 0.000 0.682 186 G HN 1.402 nan 8.290 nan 0.000 0.522 187 G N -1.125 107.716 108.800 0.069 0.000 2.785 187 G HA2 0.313 4.273 3.960 -0.000 0.000 0.685 187 G HA3 0.313 4.273 3.960 -0.000 0.000 0.685 187 G C -0.658 174.338 174.900 0.159 0.000 1.480 187 G CA 0.521 45.677 45.100 0.093 0.000 0.915 187 G HN 2.183 nan 8.290 nan 0.000 0.576 188 H N 1.141 120.272 119.070 0.101 0.000 3.086 188 H HA 0.295 4.851 4.556 -0.000 0.000 0.353 188 H C 1.154 176.641 175.328 0.265 0.000 1.134 188 H CA -0.467 55.684 56.048 0.172 0.000 1.248 188 H CB 1.257 31.146 29.762 0.213 0.000 1.878 188 H HN 0.559 nan 8.280 nan 0.000 0.527 189 K N 2.384 122.985 120.400 0.334 0.000 2.113 189 K HA -0.094 4.225 4.320 -0.000 0.000 0.208 189 K C 1.572 178.496 176.600 0.540 0.000 1.047 189 K CA 1.620 58.120 56.287 0.356 0.000 0.928 189 K CB 0.122 32.739 32.500 0.196 0.000 0.716 189 K HN 0.499 nan 8.250 nan 0.000 0.446 190 A N 0.126 123.350 122.820 0.673 0.000 2.238 190 A HA -0.023 4.297 4.320 -0.000 0.000 0.208 190 A C -0.098 177.477 177.584 -0.014 0.000 1.177 190 A CA 0.314 52.545 52.037 0.324 0.000 0.804 190 A CB -0.107 19.015 19.000 0.203 0.000 0.823 190 A HN 0.159 nan 8.150 nan 0.000 0.482 191 Y N -0.408 119.998 120.300 0.177 0.000 2.454 191 Y HA 0.362 4.912 4.550 -0.000 0.000 0.345 191 Y C 0.442 176.499 175.900 0.262 0.000 0.970 191 Y CA -0.458 57.738 58.100 0.160 0.000 1.204 191 Y CB 0.536 39.076 38.460 0.133 0.000 1.122 191 Y HN 0.296 nan 8.280 nan 0.000 0.514 192 Y N 1.014 121.436 120.300 0.205 0.000 2.497 192 Y HA 0.187 4.737 4.550 -0.000 0.000 0.265 192 Y C 0.707 176.525 175.900 -0.136 0.000 1.111 192 Y CA -0.719 57.348 58.100 -0.055 0.000 1.288 192 Y CB -0.292 37.953 38.460 -0.357 0.000 1.082 192 Y HN 0.339 nan 8.280 nan 0.000 0.536 193 L N 2.982 124.221 121.223 0.026 0.000 2.456 193 L HA 0.146 4.485 4.340 -0.000 0.000 0.272 193 L C -2.001 174.724 176.870 -0.242 0.000 1.189 193 L CA -1.762 52.917 54.840 -0.269 0.000 0.846 193 L CB -0.017 41.966 42.059 -0.126 0.000 1.111 193 L HN -0.110 nan 8.230 nan 0.000 0.475 194 P HA 0.113 nan 4.420 nan 0.000 0.272 194 P C -2.093 175.118 177.300 -0.149 0.000 1.223 194 P CA -1.226 61.752 63.100 -0.204 0.000 0.784 194 P CB 0.105 31.686 31.700 -0.198 0.000 0.923 195 P HA -0.203 nan 4.420 nan 0.000 0.216 195 P C 1.114 178.360 177.300 -0.090 0.000 1.150 195 P CA 1.554 64.602 63.100 -0.087 0.000 0.843 195 P CB 0.054 31.717 31.700 -0.061 0.000 0.787 196 E N -0.811 119.343 120.200 -0.077 0.000 2.077 196 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 196 E C 1.997 178.552 176.600 -0.074 0.000 0.989 196 E CA 0.935 57.297 56.400 -0.063 0.000 0.800 196 E CB -1.203 28.475 29.700 -0.036 0.000 0.746 196 E HN 0.039 nan 8.360 nan 0.000 0.452 197 V N 1.642 121.499 119.914 -0.096 0.000 2.358 197 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 197 V C 1.568 177.610 176.094 -0.087 0.000 1.047 197 V CA 1.848 64.095 62.300 -0.088 0.000 1.035 197 V CB -0.556 31.178 31.823 -0.147 0.000 0.658 197 V HN 0.222 nan 8.190 nan 0.000 0.452 198 D N 0.245 120.578 120.400 -0.113 0.000 2.116 198 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 198 D C 2.039 178.261 176.300 -0.131 0.000 0.998 198 D CA 1.571 55.493 54.000 -0.130 0.000 0.836 198 D CB -0.274 40.425 40.800 -0.168 0.000 0.951 198 D HN 0.369 nan 8.370 nan 0.000 0.449 199 L N 0.926 122.077 121.223 -0.120 0.000 2.056 199 L HA -0.086 4.253 4.340 -0.000 0.000 0.207 199 L C 2.243 179.031 176.870 -0.137 0.000 1.078 199 L CA 1.249 56.020 54.840 -0.116 0.000 0.749 199 L CB -0.538 41.466 42.059 -0.091 0.000 0.901 199 L HN -0.010 nan 8.230 nan 0.000 0.433 200 I N -0.364 120.116 120.570 -0.150 0.000 2.179 200 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 200 I C 2.557 178.448 176.117 -0.376 0.000 1.088 200 I CA 1.292 62.431 61.300 -0.268 0.000 1.357 200 I CB -0.638 37.262 38.000 -0.167 0.000 1.051 200 I HN 0.355 nan 8.210 nan 0.000 0.409 201 A N 0.032 122.779 122.820 -0.120 0.000 1.930 201 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 201 A C 2.370 180.023 177.584 0.114 0.000 1.175 201 A CA 2.204 54.285 52.037 0.073 0.000 0.627 201 A CB -0.946 18.119 19.000 0.108 0.000 0.815 201 A HN 0.377 nan 8.150 nan 0.000 0.443 202 T N 0.256 114.801 114.554 -0.016 0.000 2.737 202 T HA 0.020 4.370 4.350 -0.000 0.000 0.265 202 T C 2.276 177.010 174.700 0.057 0.000 1.038 202 T CA 1.445 63.535 62.100 -0.016 0.000 1.144 202 T CB -0.460 68.325 68.868 -0.139 0.000 0.866 202 T HN 0.583 nan 8.240 nan 0.000 0.434 203 A N 1.358 124.157 122.820 -0.035 0.000 1.917 203 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 203 A C 1.919 179.572 177.584 0.116 0.000 1.182 203 A CA 1.962 53.996 52.037 -0.006 0.000 0.633 203 A CB -1.008 17.940 19.000 -0.087 0.000 0.819 203 A HN 0.743 nan 8.150 nan 0.000 0.448 204 H N -3.683 115.438 119.070 0.084 0.000 2.428 204 H HA -0.093 4.462 4.556 -0.000 0.000 0.296 204 H C 1.989 177.214 175.328 -0.172 0.000 1.062 204 H CA 1.163 57.213 56.048 0.002 0.000 1.350 204 H CB -0.171 29.587 29.762 -0.006 0.000 1.403 204 H HN 0.673 nan 8.280 nan 0.000 0.533 205 Y N 1.987 122.280 120.300 -0.011 0.000 2.081 205 Y HA -0.306 4.244 4.550 -0.000 0.000 0.280 205 Y C 2.095 178.057 175.900 0.104 0.000 1.163 205 Y CA 1.593 59.713 58.100 0.034 0.000 1.135 205 Y CB -0.544 38.026 38.460 0.182 0.000 0.970 205 Y HN 0.042 nan 8.280 nan 0.000 0.498 206 L N 0.055 121.485 121.223 0.345 0.000 2.017 206 L HA -0.223 4.116 4.340 -0.000 0.000 0.208 206 L C 2.471 179.354 176.870 0.022 0.000 1.073 206 L CA 1.895 56.846 54.840 0.184 0.000 0.745 206 L CB -0.742 41.404 42.059 0.145 0.000 0.894 206 L HN 0.248 nan 8.230 nan 0.000 0.432 207 E N 0.261 120.461 120.200 0.000 0.000 2.097 207 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 207 E C 2.290 178.738 176.600 -0.254 0.000 1.000 207 E CA 1.300 57.650 56.400 -0.083 0.000 0.804 207 E CB -0.247 29.529 29.700 0.127 0.000 0.740 207 E HN 0.530 nan 8.360 nan 0.000 0.454 208 A N 1.054 123.695 122.820 -0.298 0.000 1.978 208 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 208 A C 2.154 179.651 177.584 -0.144 0.000 1.170 208 A CA 0.977 52.732 52.037 -0.470 0.000 0.636 208 A CB -0.574 18.132 19.000 -0.490 0.000 0.810 208 A HN 0.154 nan 8.150 nan 0.000 0.448 209 L N -1.503 119.708 121.223 -0.021 0.000 2.131 209 L HA -0.202 4.137 4.340 -0.000 0.000 0.210 209 L C 2.500 179.347 176.870 -0.039 0.000 1.092 209 L CA 1.333 56.111 54.840 -0.102 0.000 0.759 209 L CB -0.626 41.360 42.059 -0.122 0.000 0.903 209 L HN 0.552 nan 8.230 nan 0.000 0.435 210 H N -1.764 117.196 119.070 -0.183 0.000 2.384 210 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 210 H C 2.160 177.370 175.328 -0.197 0.000 1.057 210 H CA 0.994 56.946 56.048 -0.160 0.000 1.370 210 H CB 0.265 29.949 29.762 -0.129 0.000 1.417 210 H HN 0.199 nan 8.280 nan 0.000 0.527 211 M N 1.934 121.412 119.600 -0.204 0.000 2.213 211 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 211 M C 2.264 178.453 176.300 -0.186 0.000 1.062 211 M CA 1.493 56.604 55.300 -0.316 0.000 1.105 211 M CB -0.075 32.055 32.600 -0.783 0.000 1.385 211 M HN 0.220 nan 8.290 nan 0.000 0.417 212 Q N -1.232 118.478 119.800 -0.150 0.000 2.224 212 Q HA -0.042 4.298 4.340 -0.000 0.000 0.203 212 Q C 1.537 177.601 176.000 0.106 0.000 0.970 212 Q CA 1.879 57.667 55.803 -0.024 0.000 0.865 212 Q CB -1.416 27.248 28.738 -0.123 0.000 0.922 212 Q HN 0.378 nan 8.270 nan 0.000 0.445 213 V N 1.201 121.112 119.914 -0.005 0.000 2.295 213 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 213 V C 2.213 178.298 176.094 -0.015 0.000 1.049 213 V CA 2.295 64.580 62.300 -0.025 0.000 1.024 213 V CB -0.615 31.155 31.823 -0.089 0.000 0.648 213 V HN 0.398 nan 8.190 nan 0.000 0.447 214 K N 0.272 120.657 120.400 -0.024 0.000 2.097 214 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 214 K C 2.298 178.902 176.600 0.006 0.000 1.049 214 K CA 1.401 57.677 56.287 -0.019 0.000 0.933 214 K CB -0.401 32.077 32.500 -0.036 0.000 0.717 214 K HN 0.478 nan 8.250 nan 0.000 0.442 215 A N 1.343 124.190 122.820 0.045 0.000 1.969 215 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 215 A C 2.297 179.925 177.584 0.073 0.000 1.169 215 A CA 1.719 53.811 52.037 0.091 0.000 0.635 215 A CB -0.471 18.633 19.000 0.174 0.000 0.810 215 A HN 0.327 nan 8.150 nan 0.000 0.445 216 A N -0.843 121.997 122.820 0.032 0.000 1.930 216 A HA 0.040 4.360 4.320 -0.000 0.000 0.215 216 A C 2.400 179.948 177.584 -0.060 0.000 1.176 216 A CA 1.710 53.682 52.037 -0.108 0.000 0.632 216 A CB -0.662 18.218 19.000 -0.200 0.000 0.819 216 A HN 0.414 nan 8.150 nan 0.000 0.445 217 S N 0.108 115.792 115.700 -0.027 0.000 2.368 217 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 217 S C 2.341 176.952 174.600 0.019 0.000 1.030 217 S CA 1.162 59.353 58.200 -0.016 0.000 0.999 217 S CB -0.472 62.720 63.200 -0.012 0.000 0.844 217 S HN 0.780 nan 8.310 nan 0.000 0.459 218 A N 1.651 124.500 122.820 0.048 0.000 1.873 218 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 218 A C 2.150 179.871 177.584 0.227 0.000 1.193 218 A CA 1.973 54.100 52.037 0.150 0.000 0.629 218 A CB -0.735 18.281 19.000 0.027 0.000 0.826 218 A HN 0.521 nan 8.150 nan 0.000 0.447 219 M N -0.484 119.174 119.600 0.096 0.000 2.108 219 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 219 M C 2.205 178.420 176.300 -0.142 0.000 1.066 219 M CA 1.781 57.077 55.300 -0.007 0.000 1.107 219 M CB -0.217 32.351 32.600 -0.053 0.000 1.356 219 M HN 0.434 nan 8.290 nan 0.000 0.406 220 A N 0.217 122.976 122.820 -0.102 0.000 2.015 220 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 220 A C 1.912 179.408 177.584 -0.147 0.000 1.163 220 A CA 1.220 53.184 52.037 -0.122 0.000 0.646 220 A CB -0.952 18.003 19.000 -0.075 0.000 0.806 220 A HN 0.616 nan 8.150 nan 0.000 0.448 221 I N -0.421 120.075 120.570 -0.123 0.000 2.208 221 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 221 I C 2.218 178.163 176.117 -0.287 0.000 1.097 221 I CA 1.356 62.567 61.300 -0.148 0.000 1.363 221 I CB -0.197 37.761 38.000 -0.070 0.000 1.051 221 I HN 0.306 nan 8.210 nan 0.000 0.413 222 L N -0.574 120.370 121.223 -0.465 0.000 2.307 222 L HA 0.088 4.428 4.340 -0.000 0.000 0.211 222 L C 2.357 178.703 176.870 -0.872 0.000 1.099 222 L CA 0.966 55.415 54.840 -0.651 0.000 0.816 222 L CB -0.626 40.940 42.059 -0.823 0.000 0.952 222 L HN 0.272 nan 8.230 nan 0.000 0.455 223 G N -1.450 106.920 108.800 -0.717 0.000 2.887 223 G HA2 0.304 4.264 3.960 -0.000 0.000 0.211 223 G HA3 0.304 4.264 3.960 -0.000 0.000 0.211 223 G C 1.288 176.091 174.900 -0.161 0.000 1.152 223 G CA 0.666 45.353 45.100 -0.688 0.000 0.769 223 G HN 0.452 nan 8.290 nan 0.000 0.541 224 G N 0.112 108.827 108.800 -0.141 0.000 2.358 224 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.224 224 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.224 224 G C 0.304 175.194 174.900 -0.017 0.000 1.073 224 G CA 0.800 45.883 45.100 -0.029 0.000 0.635 224 G HN 1.337 nan 8.290 nan 0.000 0.509 225 K N -0.910 119.481 120.400 -0.015 0.000 2.703 225 K HA 0.540 4.859 4.320 -0.000 0.000 0.285 225 K C -2.067 174.524 176.600 -0.015 0.000 1.014 225 K CA -0.855 55.424 56.287 -0.013 0.000 0.858 225 K CB 1.053 33.560 32.500 0.012 0.000 1.467 225 K HN 0.341 nan 8.250 nan 0.000 0.383 226 N N 1.828 120.502 118.700 -0.043 0.000 2.397 226 N HA 0.434 5.174 4.740 -0.000 0.000 0.291 226 N C -2.780 172.675 175.510 -0.092 0.000 1.065 226 N CA -1.030 51.977 53.050 -0.072 0.000 0.884 226 N CB 1.928 40.339 38.487 -0.127 0.000 1.551 226 N HN 0.595 nan 8.380 nan 0.000 0.487 227 P HA 0.397 nan 4.420 nan 0.000 0.274 227 P C -1.173 176.097 177.300 -0.051 0.000 1.246 227 P CA 0.337 63.343 63.100 -0.157 0.000 0.795 227 P CB 0.281 31.784 31.700 -0.329 0.000 1.006 228 H N -1.934 117.184 119.070 0.079 0.000 3.302 228 H HA -0.090 4.466 4.556 -0.000 0.000 0.341 228 H C 0.105 175.508 175.328 0.124 0.000 1.049 228 H CA 0.309 56.422 56.048 0.108 0.000 1.073 228 H CB -2.232 27.575 29.762 0.076 0.000 1.565 228 H HN 0.602 nan 8.280 nan 0.000 0.375 229 T N -0.904 113.834 114.554 0.307 0.000 2.748 229 T HA 0.364 4.714 4.350 -0.000 0.000 0.304 229 T C 0.743 175.628 174.700 0.308 0.000 1.041 229 T CA -0.451 61.825 62.100 0.294 0.000 1.033 229 T CB 2.084 71.198 68.868 0.410 0.000 0.995 229 T HN 0.588 nan 8.240 nan 0.000 0.536 230 Q N 0.627 120.622 119.800 0.325 0.000 3.712 230 Q HA 0.360 4.700 4.340 -0.000 0.000 0.242 230 Q C -0.965 175.200 176.000 0.276 0.000 0.837 230 Q CA -0.492 55.459 55.803 0.246 0.000 0.826 230 Q CB 0.146 28.978 28.738 0.157 0.000 1.529 230 Q HN 0.836 nan 8.270 nan 0.000 0.405 231 F N -2.262 117.722 119.950 0.056 0.000 2.974 231 F HA 0.357 4.884 4.527 -0.001 0.000 0.357 231 F C -0.023 175.782 175.800 0.008 0.000 1.114 231 F CA -0.154 57.850 58.000 0.007 0.000 1.099 231 F CB 0.182 39.155 39.000 -0.044 0.000 1.205 231 F HN -0.020 nan 8.300 nan 0.000 0.535 232 T N 1.657 115.830 114.554 -0.635 0.000 2.875 232 T HA 0.734 5.084 4.350 -0.000 0.000 0.284 232 T C -0.237 174.322 174.700 -0.233 0.000 0.995 232 T CA -0.064 61.702 62.100 -0.557 0.000 1.060 232 T CB 2.008 70.522 68.868 -0.590 0.000 0.967 232 T HN 0.671 nan 8.240 nan 0.000 0.476 233 V N -0.726 119.079 119.914 -0.181 0.000 3.160 233 V HA 0.746 4.865 4.120 -0.000 0.000 0.310 233 V C -0.152 175.854 176.094 -0.147 0.000 1.181 233 V CA -1.440 60.808 62.300 -0.086 0.000 1.047 233 V CB 1.426 33.258 31.823 0.016 0.000 1.068 233 V HN 0.806 nan 8.190 nan 0.000 0.441 234 V N 2.110 121.923 119.914 -0.167 0.000 2.599 234 V HA 0.491 4.610 4.120 -0.000 0.000 0.300 234 V C 1.682 177.562 176.094 -0.357 0.000 1.034 234 V CA 1.571 63.602 62.300 -0.449 0.000 1.115 234 V CB -0.250 30.996 31.823 -0.961 0.000 0.934 234 V HN 2.028 nan 8.190 nan 0.000 0.485 235 G N 2.671 111.258 108.800 -0.354 0.000 2.175 235 G HA2 0.132 4.092 3.960 -0.000 0.000 0.244 235 G HA3 0.132 4.092 3.960 -0.000 0.000 0.244 235 G C 0.666 175.531 174.900 -0.060 0.000 0.982 235 G CA 0.071 45.090 45.100 -0.136 0.000 0.641 235 G HN 1.985 nan 8.290 nan 0.000 0.527 236 G N -1.906 106.834 108.800 -0.100 0.000 2.451 236 G HA2 0.424 4.384 3.960 -0.000 0.000 0.083 236 G HA3 0.424 4.384 3.960 -0.000 0.000 0.083 236 G C -0.542 174.283 174.900 -0.126 0.000 1.107 236 G CA 0.535 45.583 45.100 -0.088 0.000 1.117 236 G HN 1.406 nan 8.290 nan 0.000 0.454 237 C N -0.200 119.031 119.300 -0.114 0.000 3.080 237 C HA 0.763 5.223 4.460 -0.000 0.000 0.307 237 C C 1.604 176.498 174.990 -0.160 0.000 1.311 237 C CA 0.313 59.254 59.018 -0.129 0.000 1.533 237 C CB 1.468 29.198 27.740 -0.017 0.000 1.970 237 C HN 1.290 nan 8.230 nan 0.000 0.467 238 S N -0.067 115.572 115.700 -0.102 0.000 2.502 238 S HA 0.009 4.479 4.470 -0.000 0.000 0.215 238 S C 0.376 174.866 174.600 -0.184 0.000 1.009 238 S CA 0.478 58.608 58.200 -0.116 0.000 0.908 238 S CB -0.371 62.838 63.200 0.015 0.000 0.801 238 S HN 0.731 nan 8.310 nan 0.000 0.505 239 N N 1.277 119.912 118.700 -0.109 0.000 2.968 239 N HA 0.233 4.973 4.740 -0.000 0.000 0.271 239 N C -0.112 175.327 175.510 -0.118 0.000 1.174 239 N CA -0.507 52.508 53.050 -0.058 0.000 1.096 239 N CB -0.573 37.917 38.487 0.005 0.000 1.403 239 N HN 0.305 nan 8.380 nan 0.000 0.522 240 Y N 0.529 120.849 120.300 0.033 0.000 2.274 240 Y HA -0.162 4.388 4.550 -0.000 0.000 0.290 240 Y C 2.329 178.230 175.900 0.002 0.000 1.145 240 Y CA 1.175 59.287 58.100 0.019 0.000 1.203 240 Y CB -0.119 38.353 38.460 0.021 0.000 0.984 240 Y HN 0.544 nan 8.280 nan 0.000 0.533 241 Q N -0.034 119.844 119.800 0.130 0.000 2.170 241 Q HA -0.125 4.214 4.340 -0.000 0.000 0.203 241 Q C 2.304 178.307 176.000 0.005 0.000 0.976 241 Q CA 1.255 57.093 55.803 0.059 0.000 0.858 241 Q CB -0.473 28.288 28.738 0.037 0.000 0.907 241 Q HN 0.543 nan 8.270 nan 0.000 0.433 242 G N 0.319 109.096 108.800 -0.037 0.000 2.625 242 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.214 242 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.214 242 G C 1.066 175.917 174.900 -0.081 0.000 1.132 242 G CA 0.215 45.250 45.100 -0.108 0.000 0.782 242 G HN 0.314 nan 8.290 nan 0.000 0.538 243 L N 1.037 122.250 121.223 -0.016 0.000 2.607 243 L HA 0.188 4.527 4.340 -0.000 0.000 0.228 243 L C 1.560 178.444 176.870 0.023 0.000 1.123 243 L CA 0.120 54.965 54.840 0.009 0.000 0.890 243 L CB 0.005 42.094 42.059 0.049 0.000 1.103 243 L HN 0.208 nan 8.230 nan 0.000 0.468 244 T N -4.147 110.418 114.554 0.019 0.000 2.881 244 T HA 0.167 4.516 4.350 -0.000 0.000 0.278 244 T C 0.923 175.634 174.700 0.019 0.000 0.982 244 T CA -0.652 61.462 62.100 0.024 0.000 0.989 244 T CB 2.198 71.082 68.868 0.026 0.000 1.058 244 T HN -0.038 nan 8.240 nan 0.000 0.529 245 K N 0.075 120.488 120.400 0.021 0.000 2.025 245 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 245 K C 1.506 178.121 176.600 0.024 0.000 1.049 245 K CA 1.564 57.865 56.287 0.023 0.000 0.933 245 K CB -0.227 32.285 32.500 0.021 0.000 0.714 245 K HN 0.605 nan 8.250 nan 0.000 0.438 246 D N 0.091 120.503 120.400 0.019 0.000 2.084 246 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 246 D C -0.834 175.480 176.300 0.023 0.000 0.985 246 D CA 1.069 55.080 54.000 0.019 0.000 0.826 246 D CB -1.417 39.391 40.800 0.013 0.000 0.978 246 D HN 0.180 nan 8.370 nan 0.000 0.456 247 P HA -0.106 nan 4.420 nan 0.000 0.216 247 P C 1.706 179.032 177.300 0.045 0.000 1.153 247 P CA 0.891 63.999 63.100 0.012 0.000 0.858 247 P CB -0.012 31.676 31.700 -0.021 0.000 0.789 248 L N -1.631 119.619 121.223 0.045 0.000 2.156 248 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 248 L C 2.434 179.377 176.870 0.122 0.000 1.095 248 L CA 1.187 56.087 54.840 0.101 0.000 0.770 248 L CB -1.015 41.086 42.059 0.069 0.000 0.914 248 L HN -0.046 nan 8.230 nan 0.000 0.439 249 A N 0.425 123.288 122.820 0.071 0.000 1.902 249 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 249 A C 2.062 179.676 177.584 0.050 0.000 1.181 249 A CA 2.208 54.275 52.037 0.050 0.000 0.623 249 A CB -0.643 18.376 19.000 0.031 0.000 0.818 249 A HN 0.426 nan 8.150 nan 0.000 0.443 250 N N -1.595 117.140 118.700 0.059 0.000 2.142 250 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 250 N C 1.555 177.115 175.510 0.083 0.000 1.023 250 N CA 1.610 54.693 53.050 0.054 0.000 0.852 250 N CB -0.485 38.029 38.487 0.045 0.000 0.998 250 N HN 0.513 nan 8.380 nan 0.000 0.424 251 Y N 0.662 120.948 120.300 -0.023 0.000 2.128 251 Y HA -0.160 4.390 4.550 -0.000 0.000 0.284 251 Y C 2.098 177.989 175.900 -0.015 0.000 1.154 251 Y CA 1.419 59.503 58.100 -0.027 0.000 1.149 251 Y CB -0.738 37.700 38.460 -0.037 0.000 0.976 251 Y HN 0.160 nan 8.280 nan 0.000 0.505 252 L N 0.537 121.740 121.223 -0.034 0.000 2.046 252 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 252 L C 2.425 179.236 176.870 -0.098 0.000 1.077 252 L CA 2.142 56.917 54.840 -0.108 0.000 0.747 252 L CB -1.413 40.636 42.059 -0.016 0.000 0.896 252 L HN 0.245 nan 8.230 nan 0.000 0.432 253 A N -0.397 122.394 122.820 -0.047 0.000 1.877 253 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 253 A C 2.278 179.830 177.584 -0.052 0.000 1.186 253 A CA 2.110 54.124 52.037 -0.038 0.000 0.620 253 A CB -0.950 18.041 19.000 -0.015 0.000 0.822 253 A HN 0.500 nan 8.150 nan 0.000 0.443 254 L N -0.419 120.769 121.223 -0.059 0.000 2.017 254 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 254 L C 2.907 179.721 176.870 -0.094 0.000 1.073 254 L CA 1.506 56.310 54.840 -0.061 0.000 0.745 254 L CB -0.498 41.537 42.059 -0.040 0.000 0.894 254 L HN 0.343 nan 8.230 nan 0.000 0.432 255 S N -0.134 115.458 115.700 -0.181 0.000 2.370 255 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 255 S C 1.920 176.457 174.600 -0.105 0.000 1.033 255 S CA 1.408 59.493 58.200 -0.191 0.000 1.011 255 S CB -0.198 62.793 63.200 -0.348 0.000 0.852 255 S HN 0.355 nan 8.310 nan 0.000 0.457 256 K N 0.948 121.291 120.400 -0.095 0.000 2.097 256 K HA -0.064 4.255 4.320 -0.000 0.000 0.206 256 K C 2.240 178.823 176.600 -0.028 0.000 1.049 256 K CA 1.043 57.294 56.287 -0.059 0.000 0.933 256 K CB -0.093 32.373 32.500 -0.056 0.000 0.717 256 K HN 0.402 nan 8.250 nan 0.000 0.442 257 E N 0.354 120.539 120.200 -0.024 0.000 2.051 257 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 257 E C 2.008 178.625 176.600 0.028 0.000 0.991 257 E CA 1.112 57.512 56.400 -0.000 0.000 0.799 257 E CB 0.120 29.813 29.700 -0.011 0.000 0.748 257 E HN 0.041 nan 8.360 nan 0.000 0.449 258 V N 0.537 120.458 119.914 0.013 0.000 2.343 258 V HA -0.301 3.818 4.120 -0.000 0.000 0.247 258 V C 2.352 178.511 176.094 0.108 0.000 1.051 258 V CA 1.471 63.799 62.300 0.048 0.000 1.036 258 V CB -0.352 31.484 31.823 0.022 0.000 0.654 258 V HN 0.462 nan 8.190 nan 0.000 0.451 259 c N -0.778 117.853 118.600 0.052 0.000 2.448 259 c HA -0.108 4.462 4.570 -0.000 0.000 0.280 259 c C 2.740 176.855 174.090 0.041 0.000 1.398 259 c CA 0.918 57.274 56.329 0.045 0.000 1.774 259 c CB -0.925 41.578 42.510 -0.011 0.000 1.888 259 c HN 0.646 nan 8.230 nan 0.000 0.519 260 Q N -0.062 119.765 119.800 0.044 0.000 2.050 260 Q HA -0.219 4.120 4.340 -0.000 0.000 0.202 260 Q C 2.025 178.059 176.000 0.058 0.000 0.980 260 Q CA 1.679 57.501 55.803 0.031 0.000 0.840 260 Q CB -0.299 28.456 28.738 0.029 0.000 0.898 260 Q HN 0.668 nan 8.270 nan 0.000 0.424 261 F N 0.197 120.126 119.950 -0.034 0.000 2.134 261 F HA -0.200 4.326 4.527 -0.000 0.000 0.299 261 F C 1.914 177.720 175.800 0.011 0.000 1.097 261 F CA 1.151 59.127 58.000 -0.040 0.000 1.264 261 F CB -0.162 38.813 39.000 -0.042 0.000 1.001 261 F HN -0.096 nan 8.300 nan 0.000 0.479 262 V N 0.858 120.888 119.914 0.194 0.000 2.287 262 V HA -0.362 3.758 4.120 -0.000 0.000 0.248 262 V C 2.150 178.220 176.094 -0.039 0.000 1.053 262 V CA 2.336 64.728 62.300 0.153 0.000 1.027 262 V CB -0.759 31.164 31.823 0.167 0.000 0.646 262 V HN 0.406 nan 8.190 nan 0.000 0.447 263 N N -0.460 118.200 118.700 -0.067 0.000 2.354 263 N HA -0.084 4.656 4.740 -0.000 0.000 0.179 263 N C 1.798 177.223 175.510 -0.142 0.000 1.021 263 N CA 0.997 53.979 53.050 -0.113 0.000 0.887 263 N CB 0.020 38.454 38.487 -0.089 0.000 0.974 263 N HN 0.618 nan 8.380 nan 0.000 0.437 264 E N -0.747 119.352 120.200 -0.169 0.000 2.276 264 E HA 0.081 4.430 4.350 -0.000 0.000 0.193 264 E C 1.158 177.574 176.600 -0.307 0.000 0.983 264 E CA 0.374 56.655 56.400 -0.198 0.000 0.861 264 E CB 0.446 30.043 29.700 -0.172 0.000 0.817 264 E HN 0.296 nan 8.360 nan 0.000 0.485 265 C N -0.935 118.080 119.300 -0.476 0.000 2.508 265 C HA 0.101 4.560 4.460 -0.000 0.000 0.407 265 C C 2.158 177.010 174.990 -0.228 0.000 1.494 265 C CA -0.492 58.145 59.018 -0.636 0.000 2.531 265 C CB -0.795 26.059 27.740 -1.476 0.000 2.480 265 C HN 0.427 nan 8.230 nan 0.000 0.614 266 Y N 2.974 123.051 120.300 -0.372 0.000 2.049 266 Y HA -0.120 4.430 4.550 -0.000 0.000 0.277 266 Y C 2.228 177.876 175.900 -0.421 0.000 1.143 266 Y CA 1.570 59.495 58.100 -0.292 0.000 1.115 266 Y CB -0.925 37.439 38.460 -0.159 0.000 0.975 266 Y HN 0.144 nan 8.280 nan 0.000 0.487 267 I N 0.846 121.204 120.570 -0.353 0.000 2.127 267 I HA -0.219 3.951 4.170 -0.000 0.000 0.241 267 I C -0.315 175.632 176.117 -0.283 0.000 1.075 267 I CA 1.539 62.575 61.300 -0.438 0.000 1.334 267 I CB -2.822 34.963 38.000 -0.357 0.000 1.040 267 I HN 0.176 nan 8.210 nan 0.000 0.405 268 P HA -0.128 nan 4.420 nan 0.000 0.215 268 P C 1.199 178.472 177.300 -0.044 0.000 1.157 268 P CA 1.510 64.551 63.100 -0.098 0.000 0.868 268 P CB 0.014 31.677 31.700 -0.061 0.000 0.788 269 D N -0.940 119.460 120.400 0.000 0.000 2.117 269 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 269 D C 1.904 178.211 176.300 0.013 0.000 0.987 269 D CA 0.826 54.889 54.000 0.106 0.000 0.829 269 D CB -0.969 40.022 40.800 0.318 0.000 0.961 269 D HN 0.008 nan 8.370 nan 0.000 0.460 270 L N 0.864 121.927 121.223 -0.267 0.000 1.990 270 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 270 L C 2.199 178.956 176.870 -0.189 0.000 1.072 270 L CA 1.613 56.242 54.840 -0.353 0.000 0.755 270 L CB -0.736 40.959 42.059 -0.605 0.000 0.889 270 L HN 0.036 nan 8.230 nan 0.000 0.432 271 L N -0.959 120.159 121.223 -0.174 0.000 2.083 271 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 271 L C 2.635 179.479 176.870 -0.044 0.000 1.083 271 L CA 1.050 55.816 54.840 -0.123 0.000 0.752 271 L CB -0.938 41.043 42.059 -0.131 0.000 0.899 271 L HN 0.420 nan 8.230 nan 0.000 0.433 272 A N -0.155 122.675 122.820 0.017 0.000 1.858 272 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 272 A C 2.347 180.084 177.584 0.256 0.000 1.190 272 A CA 1.723 53.842 52.037 0.136 0.000 0.617 272 A CB -0.858 18.241 19.000 0.166 0.000 0.827 272 A HN 0.154 nan 8.150 nan 0.000 0.443 273 V N -0.008 120.006 119.914 0.166 0.000 2.287 273 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 273 V C 3.067 179.242 176.094 0.136 0.000 1.053 273 V CA 2.067 64.465 62.300 0.163 0.000 1.027 273 V CB -1.226 30.547 31.823 -0.084 0.000 0.646 273 V HN 0.625 nan 8.190 nan 0.000 0.447 274 A N 0.287 123.085 122.820 -0.037 0.000 1.978 274 A HA -0.104 4.215 4.320 -0.000 0.000 0.220 274 A C 2.370 179.978 177.584 0.041 0.000 1.170 274 A CA 1.889 53.896 52.037 -0.049 0.000 0.636 274 A CB -1.061 17.872 19.000 -0.113 0.000 0.810 274 A HN 0.558 nan 8.150 nan 0.000 0.448 275 G N -1.590 107.218 108.800 0.014 0.000 2.422 275 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.218 275 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.218 275 G C 1.242 176.027 174.900 -0.193 0.000 1.140 275 G CA 0.926 45.958 45.100 -0.114 0.000 0.775 275 G HN 0.471 nan 8.290 nan 0.000 0.545 276 F N -1.079 118.897 119.950 0.043 0.000 2.512 276 F HA 0.262 4.788 4.527 -0.000 0.000 0.296 276 F C 0.950 176.735 175.800 -0.025 0.000 1.110 276 F CA 0.215 58.202 58.000 -0.021 0.000 1.446 276 F CB 0.167 39.124 39.000 -0.071 0.000 1.092 276 F HN 0.062 nan 8.300 nan 0.000 0.554 277 Y N 0.083 120.592 120.300 0.348 0.000 2.781 277 Y HA 0.224 4.774 4.550 -0.000 0.000 0.326 277 Y C 1.347 177.464 175.900 0.362 0.000 1.019 277 Y CA -0.787 57.575 58.100 0.436 0.000 1.372 277 Y CB -0.469 38.151 38.460 0.266 0.000 1.260 277 Y HN -0.091 nan 8.280 nan 0.000 0.546 278 K N 0.269 120.858 120.400 0.315 0.000 2.152 278 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 278 K C 1.419 178.166 176.600 0.245 0.000 1.048 278 K CA 1.694 58.105 56.287 0.206 0.000 0.933 278 K CB -0.051 32.502 32.500 0.089 0.000 0.721 278 K HN 0.558 nan 8.250 nan 0.000 0.447 279 D N 0.065 120.649 120.400 0.306 0.000 2.218 279 D HA -0.203 4.436 4.640 -0.000 0.000 0.204 279 D C 1.259 177.658 176.300 0.164 0.000 0.976 279 D CA 0.872 55.002 54.000 0.216 0.000 0.853 279 D CB -0.662 40.264 40.800 0.208 0.000 0.939 279 D HN 0.283 nan 8.370 nan 0.000 0.481 280 W N 1.467 122.935 121.300 0.281 0.000 2.961 280 W HA 0.307 4.966 4.660 -0.000 0.000 0.240 280 W C 2.327 178.959 176.519 0.188 0.000 1.305 280 W CA 0.655 58.159 57.345 0.266 0.000 1.465 280 W CB -0.110 29.578 29.460 0.380 0.000 1.135 280 W HN 0.112 nan 8.180 nan 0.000 0.688 281 G N -0.471 108.495 108.800 0.277 0.000 2.920 281 G HA2 0.073 4.033 3.960 -0.000 0.000 0.208 281 G HA3 0.073 4.033 3.960 -0.000 0.000 0.208 281 G C 1.431 176.412 174.900 0.135 0.000 1.159 281 G CA 0.670 45.879 45.100 0.182 0.000 0.784 281 G HN 0.329 nan 8.290 nan 0.000 0.535 282 G N -0.128 108.728 108.800 0.092 0.000 3.377 282 G HA2 0.438 4.398 3.960 -0.000 0.000 0.257 282 G HA3 0.438 4.398 3.960 -0.000 0.000 0.257 282 G C 0.081 174.982 174.900 0.001 0.000 1.038 282 G CA -0.299 44.828 45.100 0.045 0.000 0.809 282 G HN 0.313 nan 8.290 nan 0.000 0.526 283 I N -0.064 120.501 120.570 -0.009 0.000 2.509 283 I HA 0.542 4.712 4.170 -0.000 0.000 0.293 283 I C 0.987 177.170 176.117 0.111 0.000 1.020 283 I CA -0.462 60.794 61.300 -0.073 0.000 1.088 283 I CB 2.148 39.868 38.000 -0.467 0.000 1.267 283 I HN 0.132 nan 8.210 nan 0.000 0.430 284 G N 3.762 112.636 108.800 0.123 0.000 2.149 284 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.235 284 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.235 284 G C 0.283 175.325 174.900 0.235 0.000 1.018 284 G CA -0.113 45.119 45.100 0.220 0.000 0.728 284 G HN 1.057 nan 8.290 nan 0.000 0.508 285 G N -0.508 108.407 108.800 0.192 0.000 2.448 285 G HA2 0.811 4.770 3.960 -0.000 0.000 0.285 285 G HA3 0.811 4.770 3.960 -0.000 0.000 0.285 285 G C 0.366 175.370 174.900 0.174 0.000 1.176 285 G CA 0.806 46.037 45.100 0.219 0.000 0.852 285 G HN 1.352 nan 8.290 nan 0.000 0.530 286 T N -2.258 112.402 114.554 0.178 0.000 2.807 286 T HA 0.626 4.976 4.350 -0.000 0.000 0.277 286 T C 0.793 175.451 174.700 -0.070 0.000 1.006 286 T CA -0.258 61.868 62.100 0.043 0.000 1.006 286 T CB 1.836 70.725 68.868 0.035 0.000 1.274 286 T HN 0.240 nan 8.240 nan 0.000 0.569 287 S N 0.073 115.652 115.700 -0.201 0.000 2.554 287 S HA 0.302 4.772 4.470 -0.000 0.000 0.227 287 S C 0.089 174.482 174.600 -0.346 0.000 1.050 287 S CA -0.383 57.674 58.200 -0.238 0.000 0.927 287 S CB 0.021 63.128 63.200 -0.156 0.000 0.859 287 S HN 0.707 nan 8.310 nan 0.000 0.494 288 N N 1.104 119.517 118.700 -0.477 0.000 2.362 288 N HA 0.515 5.255 4.740 -0.000 0.000 0.298 288 N C -1.567 173.564 175.510 -0.632 0.000 1.048 288 N CA -0.208 52.611 53.050 -0.386 0.000 0.858 288 N CB 1.125 39.507 38.487 -0.175 0.000 1.218 288 N HN 0.141 nan 8.380 nan 0.000 0.488 289 Y N 0.466 120.730 120.300 -0.060 0.000 2.442 289 Y HA 0.569 5.119 4.550 -0.000 0.000 0.344 289 Y C -0.524 175.259 175.900 -0.195 0.000 0.976 289 Y CA -1.057 56.997 58.100 -0.077 0.000 1.040 289 Y CB 2.026 40.495 38.460 0.015 0.000 1.228 289 Y HN 0.345 nan 8.280 nan 0.000 0.451 290 L N 2.664 123.795 121.223 -0.153 0.000 2.436 290 L HA 1.011 5.351 4.340 -0.000 0.000 0.268 290 L C -1.397 175.255 176.870 -0.363 0.000 0.974 290 L CA -0.514 54.101 54.840 -0.376 0.000 0.826 290 L CB 1.825 43.443 42.059 -0.734 0.000 1.291 290 L HN 0.705 nan 8.230 nan 0.000 0.406 291 A N 3.383 126.025 122.820 -0.297 0.000 2.449 291 A HA 0.663 4.983 4.320 -0.000 0.000 0.302 291 A C -0.614 176.890 177.584 -0.134 0.000 1.048 291 A CA -0.431 51.456 52.037 -0.250 0.000 0.708 291 A CB 0.770 19.726 19.000 -0.073 0.000 1.274 291 A HN 0.634 nan 8.150 nan 0.000 0.410 292 F N 1.597 121.545 119.950 -0.002 0.000 2.789 292 F HA 0.400 4.927 4.527 -0.000 0.000 0.300 292 F C 1.674 177.552 175.800 0.130 0.000 1.132 292 F CA 0.319 58.353 58.000 0.056 0.000 1.404 292 F CB -0.612 38.410 39.000 0.035 0.000 1.114 292 F HN 1.150 nan 8.300 nan 0.000 0.584 293 G N 0.897 109.838 108.800 0.234 0.000 2.716 293 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.686 293 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.686 293 G C -0.914 174.070 174.900 0.139 0.000 1.337 293 G CA -0.625 44.564 45.100 0.147 0.000 0.829 293 G HN 0.268 nan 8.290 nan 0.000 0.599 294 E N -0.766 119.434 120.200 0.001 0.000 2.446 294 E HA 0.774 5.123 4.350 -0.000 0.000 0.276 294 E C 0.084 176.455 176.600 -0.383 0.000 0.969 294 E CA -0.742 55.461 56.400 -0.329 0.000 0.800 294 E CB 0.593 29.887 29.700 -0.677 0.000 1.341 294 E HN 1.531 nan 8.360 nan 0.000 0.460 295 F N -0.815 118.972 119.950 -0.272 0.000 2.975 295 F HA -0.105 4.422 4.527 -0.000 0.000 0.319 295 F C 0.064 175.707 175.800 -0.261 0.000 0.976 295 F CA 0.507 58.264 58.000 -0.406 0.000 1.072 295 F CB -2.066 36.560 39.000 -0.625 0.000 1.165 295 F HN 0.421 nan 8.300 nan 0.000 0.758 296 A N 0.277 123.005 122.820 -0.153 0.000 2.371 296 A HA 0.585 4.904 4.320 -0.000 0.000 0.257 296 A C 1.391 178.941 177.584 -0.057 0.000 1.089 296 A CA 0.185 52.143 52.037 -0.133 0.000 0.794 296 A CB 0.439 19.301 19.000 -0.230 0.000 1.029 296 A HN 0.742 nan 8.150 nan 0.000 0.488 297 T N -1.589 112.955 114.554 -0.016 0.000 3.088 297 T HA 0.082 4.432 4.350 -0.000 0.000 0.259 297 T C 0.089 174.789 174.700 0.000 0.000 1.122 297 T CA 1.066 63.170 62.100 0.007 0.000 1.095 297 T CB -0.035 68.857 68.868 0.039 0.000 0.930 297 T HN 0.573 nan 8.240 nan 0.000 0.508 298 D N 0.674 121.069 120.400 -0.009 0.000 2.336 298 D HA 0.223 4.862 4.640 -0.000 0.000 0.248 298 D C -1.060 175.243 176.300 0.006 0.000 1.326 298 D CA -0.400 53.601 54.000 0.000 0.000 0.973 298 D CB 1.141 41.945 40.800 0.006 0.000 1.255 298 D HN -0.095 nan 8.370 nan 0.000 0.558 299 D N 1.293 121.698 120.400 0.008 0.000 2.491 299 D HA -0.014 4.626 4.640 -0.000 0.000 0.228 299 D C 1.745 178.041 176.300 -0.007 0.000 1.183 299 D CA 0.164 54.178 54.000 0.022 0.000 0.827 299 D CB 0.550 41.360 40.800 0.017 0.000 0.989 299 D HN 0.395 nan 8.370 nan 0.000 0.494 300 S N -0.538 115.160 115.700 -0.004 0.000 2.419 300 S HA -0.089 4.381 4.470 -0.000 0.000 0.233 300 S C 1.044 175.631 174.600 -0.021 0.000 1.016 300 S CA 0.440 58.633 58.200 -0.011 0.000 0.974 300 S CB -0.016 63.183 63.200 -0.001 0.000 0.786 300 S HN 0.195 nan 8.310 nan 0.000 0.492 301 S N -0.831 114.859 115.700 -0.016 0.000 2.596 301 S HA 0.594 5.063 4.470 -0.000 0.000 0.270 301 S C -2.922 171.661 174.600 -0.030 0.000 1.155 301 S CA -1.266 56.916 58.200 -0.030 0.000 0.827 301 S CB 1.322 64.514 63.200 -0.014 0.000 1.130 301 S HN -0.031 nan 8.310 nan 0.000 0.467 302 P HA -0.036 nan 4.420 nan 0.000 0.215 302 P C 1.517 178.807 177.300 -0.016 0.000 1.153 302 P CA 1.424 64.465 63.100 -0.099 0.000 0.853 302 P CB -0.165 31.431 31.700 -0.174 0.000 0.788 303 E N -0.046 120.153 120.200 -0.002 0.000 2.058 303 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 303 E C 2.052 178.674 176.600 0.036 0.000 0.997 303 E CA 1.219 57.634 56.400 0.025 0.000 0.801 303 E CB -0.981 28.734 29.700 0.025 0.000 0.746 303 E HN 0.346 nan 8.360 nan 0.000 0.450 304 K N -0.429 119.990 120.400 0.031 0.000 2.097 304 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 304 K C 2.189 178.809 176.600 0.034 0.000 1.049 304 K CA 1.770 58.074 56.287 0.028 0.000 0.933 304 K CB -0.680 31.831 32.500 0.019 0.000 0.717 304 K HN 0.501 nan 8.250 nan 0.000 0.442 305 H N 1.074 120.119 119.070 -0.041 0.000 2.290 305 H HA -0.042 4.513 4.556 -0.000 0.000 0.298 305 H C 2.073 177.392 175.328 -0.014 0.000 1.087 305 H CA 1.951 57.971 56.048 -0.046 0.000 1.291 305 H CB -0.211 29.497 29.762 -0.090 0.000 1.369 305 H HN 0.015 nan 8.280 nan 0.000 0.492 306 L N -0.296 120.995 121.223 0.113 0.000 2.079 306 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 306 L C 2.754 179.637 176.870 0.022 0.000 1.081 306 L CA 1.127 56.019 54.840 0.086 0.000 0.752 306 L CB -0.538 41.583 42.059 0.103 0.000 0.896 306 L HN 0.495 nan 8.230 nan 0.000 0.433 307 A N -0.824 122.004 122.820 0.012 0.000 1.975 307 A HA -0.086 4.233 4.320 -0.000 0.000 0.215 307 A C 2.108 179.691 177.584 -0.002 0.000 1.170 307 A CA 1.575 53.620 52.037 0.013 0.000 0.656 307 A CB -0.365 18.648 19.000 0.021 0.000 0.821 307 A HN 0.465 nan 8.150 nan 0.000 0.449 308 T N -3.767 110.768 114.554 -0.032 0.000 3.091 308 T HA 0.262 4.611 4.350 -0.000 0.000 0.277 308 T C 0.370 175.044 174.700 -0.045 0.000 0.996 308 T CA 0.282 62.369 62.100 -0.021 0.000 0.897 308 T CB -0.215 68.647 68.868 -0.011 0.000 1.109 308 T HN 0.045 nan 8.240 nan 0.000 0.534 309 S N 2.566 118.193 115.700 -0.122 0.000 2.575 309 S HA 0.060 4.529 4.470 -0.000 0.000 0.295 309 S C 1.285 175.937 174.600 0.085 0.000 1.267 309 S CA -0.244 57.885 58.200 -0.117 0.000 1.074 309 S CB 0.811 63.880 63.200 -0.218 0.000 0.829 309 S HN 0.517 nan 8.310 nan 0.000 0.497 310 Q N 1.355 121.276 119.800 0.201 0.000 2.172 310 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 310 Q C -0.382 175.972 176.000 0.591 0.000 0.964 310 Q CA 0.848 56.869 55.803 0.363 0.000 0.855 310 Q CB 0.049 29.052 28.738 0.442 0.000 0.918 310 Q HN 0.588 nan 8.270 nan 0.000 0.444 311 F N 2.541 122.661 119.950 0.283 0.000 2.377 311 F HA 0.262 4.789 4.527 -0.000 0.000 0.360 311 F C -1.893 173.939 175.800 0.053 0.000 1.147 311 F CA -3.761 54.370 58.000 0.219 0.000 1.170 311 F CB 0.154 39.384 39.000 0.384 0.000 1.339 311 F HN -0.048 nan 8.300 nan 0.000 0.552 312 P HA 0.072 nan 4.420 nan 0.000 0.270 312 P C -0.125 177.195 177.300 0.034 0.000 1.223 312 P CA -0.114 63.015 63.100 0.048 0.000 0.785 312 P CB 0.983 32.683 31.700 0.000 0.000 0.923 313 S N 0.137 115.862 115.700 0.042 0.000 2.669 313 S HA 0.827 5.297 4.470 -0.000 0.000 0.270 313 S C 0.337 174.955 174.600 0.031 0.000 1.225 313 S CA 0.059 58.296 58.200 0.062 0.000 0.991 313 S CB 0.761 64.034 63.200 0.121 0.000 0.987 313 S HN 0.913 nan 8.310 nan 0.000 0.552 314 G N -0.910 107.901 108.800 0.018 0.000 2.337 314 G HA2 0.434 4.394 3.960 -0.000 0.000 0.298 314 G HA3 0.434 4.394 3.960 -0.000 0.000 0.298 314 G C -1.975 172.893 174.900 -0.054 0.000 1.335 314 G CA -0.327 44.773 45.100 0.001 0.000 0.875 314 G HN 1.334 nan 8.290 nan 0.000 0.579 315 V N 0.543 120.431 119.914 -0.043 0.000 2.569 315 V HA 0.596 4.716 4.120 -0.000 0.000 0.301 315 V C -0.264 175.827 176.094 -0.005 0.000 1.044 315 V CA -0.498 61.747 62.300 -0.090 0.000 0.874 315 V CB 1.528 33.259 31.823 -0.154 0.000 1.002 315 V HN 0.701 nan 8.190 nan 0.000 0.424 316 I N 3.462 124.052 120.570 0.033 0.000 2.404 316 I HA 0.601 4.771 4.170 -0.000 0.000 0.293 316 I C 0.019 176.171 176.117 0.058 0.000 0.992 316 I CA -0.066 61.282 61.300 0.080 0.000 1.149 316 I CB 2.314 40.410 38.000 0.159 0.000 1.315 316 I HN 0.570 nan 8.210 nan 0.000 0.446 317 T N 3.317 117.894 114.554 0.037 0.000 2.863 317 T HA 0.444 4.794 4.350 -0.000 0.000 0.285 317 T C 0.610 175.305 174.700 -0.008 0.000 1.009 317 T CA -0.184 61.923 62.100 0.012 0.000 0.989 317 T CB 1.698 70.588 68.868 0.037 0.000 1.004 317 T HN 0.988 nan 8.240 nan 0.000 0.455 318 G N 2.529 111.305 108.800 -0.041 0.000 2.321 318 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.287 318 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.287 318 G C 0.586 175.429 174.900 -0.094 0.000 1.018 318 G CA 0.763 45.825 45.100 -0.064 0.000 0.855 318 G HN 0.901 nan 8.290 nan 0.000 0.507 319 R N -1.785 118.652 120.500 -0.105 0.000 3.951 319 R HA -0.199 4.141 4.340 -0.000 0.000 0.352 319 R C 0.145 176.393 176.300 -0.087 0.000 1.178 319 R CA 1.279 57.270 56.100 -0.182 0.000 0.949 319 R CB -1.406 28.613 30.300 -0.469 0.000 1.452 319 R HN 0.515 nan 8.270 nan 0.000 0.540 320 D N 0.971 121.350 120.400 -0.034 0.000 2.441 320 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 320 D C 1.091 177.392 176.300 0.003 0.000 1.156 320 D CA -0.183 53.810 54.000 -0.012 0.000 0.896 320 D CB 0.513 41.310 40.800 -0.004 0.000 1.028 320 D HN 0.223 nan 8.370 nan 0.000 0.509 321 L N 2.400 123.628 121.223 0.008 0.000 2.478 321 L HA 0.122 4.461 4.340 -0.000 0.000 0.223 321 L C 2.244 179.125 176.870 0.017 0.000 1.140 321 L CA 0.477 55.330 54.840 0.022 0.000 0.842 321 L CB 0.096 42.192 42.059 0.062 0.000 0.953 321 L HN 0.394 nan 8.230 nan 0.000 0.452 322 G N -0.081 108.727 108.800 0.013 0.000 2.744 322 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.211 322 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.211 322 G C 0.847 175.753 174.900 0.009 0.000 1.143 322 G CA 0.022 45.126 45.100 0.007 0.000 0.788 322 G HN 0.198 nan 8.290 nan 0.000 0.534 323 K N 0.856 121.264 120.400 0.014 0.000 2.827 323 K HA 0.399 4.719 4.320 -0.000 0.000 0.186 323 K C -1.129 175.486 176.600 0.026 0.000 1.093 323 K CA -0.393 55.906 56.287 0.020 0.000 0.993 323 K CB 1.285 33.798 32.500 0.022 0.000 1.199 323 K HN -0.090 nan 8.250 nan 0.000 0.598 324 V N 3.388 123.316 119.914 0.023 0.000 2.408 324 V HA 0.142 4.262 4.120 -0.000 0.000 0.267 324 V C 0.148 176.264 176.094 0.036 0.000 1.047 324 V CA -0.512 61.804 62.300 0.026 0.000 0.937 324 V CB 0.873 32.705 31.823 0.016 0.000 0.999 324 V HN 0.586 nan 8.190 nan 0.000 0.472 325 D N 3.350 123.779 120.400 0.048 0.000 2.313 325 D HA 0.219 4.859 4.640 -0.000 0.000 0.247 325 D C 0.151 176.495 176.300 0.072 0.000 1.094 325 D CA -0.282 53.760 54.000 0.070 0.000 0.925 325 D CB 0.744 41.607 40.800 0.104 0.000 1.188 325 D HN 0.426 nan 8.370 nan 0.000 0.430 326 N N -0.192 118.560 118.700 0.087 0.000 2.482 326 N HA 0.073 4.812 4.740 -0.000 0.000 0.260 326 N C -0.344 175.254 175.510 0.147 0.000 1.236 326 N CA -0.252 52.857 53.050 0.098 0.000 0.938 326 N CB 0.688 39.230 38.487 0.091 0.000 1.128 326 N HN 0.082 nan 8.380 nan 0.000 0.448 327 V N 1.284 121.293 119.914 0.158 0.000 2.508 327 V HA -0.019 4.101 4.120 -0.000 0.000 0.281 327 V C 0.362 176.625 176.094 0.282 0.000 1.041 327 V CA -0.158 62.283 62.300 0.235 0.000 1.016 327 V CB 0.765 32.738 31.823 0.250 0.000 0.984 327 V HN 0.560 nan 8.190 nan 0.000 0.478 328 D N 4.215 124.861 120.400 0.410 0.000 2.427 328 D HA 0.299 4.939 4.640 -0.000 0.000 0.226 328 D C 0.837 177.361 176.300 0.374 0.000 1.076 328 D CA -0.296 53.889 54.000 0.308 0.000 0.849 328 D CB 1.189 42.113 40.800 0.208 0.000 1.052 328 D HN 0.398 nan 8.370 nan 0.000 0.515 329 L N 2.769 124.188 121.223 0.328 0.000 2.275 329 L HA 0.057 4.397 4.340 -0.000 0.000 0.215 329 L C 2.235 179.401 176.870 0.494 0.000 1.119 329 L CA 0.974 56.068 54.840 0.423 0.000 0.790 329 L CB -0.032 42.231 42.059 0.341 0.000 0.919 329 L HN 0.508 nan 8.230 nan 0.000 0.443 330 G N -0.599 108.394 108.800 0.322 0.000 2.572 330 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 330 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 330 G C 1.581 176.607 174.900 0.211 0.000 1.133 330 G CA 0.612 45.839 45.100 0.212 0.000 0.791 330 G HN 0.432 nan 8.290 nan 0.000 0.538 331 A N -0.009 122.900 122.820 0.149 0.000 2.178 331 A HA 0.440 4.760 4.320 -0.000 0.000 0.211 331 A C 0.925 178.572 177.584 0.105 0.000 1.157 331 A CA -0.260 51.759 52.037 -0.029 0.000 0.780 331 A CB -0.057 18.638 19.000 -0.509 0.000 0.828 331 A HN 0.302 nan 8.150 nan 0.000 0.476 332 I N 1.115 121.858 120.570 0.288 0.000 2.496 332 I HA 0.303 4.473 4.170 -0.000 0.000 0.285 332 I C -0.039 176.153 176.117 0.124 0.000 1.080 332 I CA -0.043 61.434 61.300 0.294 0.000 1.404 332 I CB 0.276 38.508 38.000 0.386 0.000 1.403 332 I HN 0.498 nan 8.210 nan 0.000 0.539 333 Y N 3.282 123.567 120.300 -0.024 0.000 2.677 333 Y HA 0.760 5.310 4.550 -0.001 0.000 0.334 333 Y C -1.229 174.558 175.900 -0.187 0.000 1.154 333 Y CA -1.363 56.656 58.100 -0.134 0.000 1.070 333 Y CB 1.163 39.590 38.460 -0.055 0.000 1.294 333 Y HN 0.425 nan 8.280 nan 0.000 0.475 334 E N 1.092 121.278 120.200 -0.024 0.000 2.272 334 E HA 0.324 4.674 4.350 -0.000 0.000 0.269 334 E C -1.680 174.937 176.600 0.029 0.000 0.877 334 E CA -1.059 55.261 56.400 -0.133 0.000 0.755 334 E CB 2.221 31.798 29.700 -0.205 0.000 1.192 334 E HN 0.527 nan 8.360 nan 0.000 0.422 335 D N 1.050 121.456 120.400 0.010 0.000 2.268 335 D HA 0.249 4.889 4.640 -0.000 0.000 0.249 335 D C 0.501 176.812 176.300 0.019 0.000 1.008 335 D CA -0.365 53.672 54.000 0.063 0.000 0.939 335 D CB 2.190 43.053 40.800 0.107 0.000 1.170 335 D HN 0.281 nan 8.370 nan 0.000 0.468 336 V N -1.302 118.640 119.914 0.047 0.000 3.398 336 V HA 0.197 4.317 4.120 -0.000 0.000 0.298 336 V C 1.722 177.868 176.094 0.088 0.000 1.496 336 V CA -0.268 62.084 62.300 0.087 0.000 1.044 336 V CB 0.152 32.045 31.823 0.117 0.000 0.880 336 V HN 0.397 nan 8.190 nan 0.000 0.443 337 K N 0.663 121.090 120.400 0.046 0.000 2.089 337 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 337 K C 1.189 177.577 176.600 -0.353 0.000 1.048 337 K CA 2.524 58.754 56.287 -0.095 0.000 0.926 337 K CB -0.243 32.195 32.500 -0.102 0.000 0.714 337 K HN 0.656 nan 8.250 nan 0.000 0.448 338 Y N 0.071 120.274 120.300 -0.161 0.000 2.625 338 Y HA 0.232 4.782 4.550 -0.000 0.000 0.285 338 Y C -0.029 175.589 175.900 -0.470 0.000 1.168 338 Y CA -0.514 57.397 58.100 -0.315 0.000 1.250 338 Y CB 0.876 39.209 38.460 -0.212 0.000 1.130 338 Y HN -0.132 nan 8.280 nan 0.000 0.526 339 S N -1.278 114.334 115.700 -0.146 0.000 2.600 339 S HA 0.231 4.701 4.470 -0.000 0.000 0.300 339 S C -0.726 173.748 174.600 -0.210 0.000 1.087 339 S CA -0.814 57.248 58.200 -0.229 0.000 0.965 339 S CB 0.979 64.250 63.200 0.120 0.000 1.089 339 S HN 0.267 nan 8.310 nan 0.000 0.496 340 W N 2.957 123.977 121.300 -0.467 0.000 1.435 340 W HA 0.303 4.963 4.660 -0.000 0.000 0.471 340 W C -0.902 175.054 176.519 -0.938 0.000 0.590 340 W CA -0.486 56.349 57.345 -0.851 0.000 2.419 340 W CB -1.470 27.052 29.460 -1.563 0.000 1.251 340 W HN 0.543 nan 8.180 nan 0.000 0.338 341 Y N -0.101 120.192 120.300 -0.012 0.000 2.665 341 Y HA 0.603 5.152 4.550 -0.001 0.000 0.336 341 Y C 0.460 176.333 175.900 -0.046 0.000 1.085 341 Y CA -1.985 56.117 58.100 0.003 0.000 1.096 341 Y CB 0.143 38.629 38.460 0.043 0.000 1.301 341 Y HN -0.074 nan 8.280 nan 0.000 0.493 342 A N 2.760 125.668 122.820 0.146 0.000 2.498 342 A HA 0.334 4.653 4.320 -0.000 0.000 0.239 342 A C -2.275 175.340 177.584 0.051 0.000 1.068 342 A CA -1.120 50.949 52.037 0.053 0.000 0.766 342 A CB -0.843 18.189 19.000 0.053 0.000 1.003 342 A HN 0.442 nan 8.150 nan 0.000 0.497 343 P HA 0.169 nan 4.420 nan 0.000 0.266 343 P C 0.883 178.196 177.300 0.023 0.000 1.193 343 P CA 1.341 64.456 63.100 0.026 0.000 0.770 343 P CB 0.584 32.290 31.700 0.009 0.000 0.836 344 G N 1.365 110.176 108.800 0.019 0.000 2.195 344 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 344 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 344 G C 1.005 175.912 174.900 0.011 0.000 0.984 344 G CA 0.202 45.308 45.100 0.011 0.000 0.633 344 G HN 0.840 nan 8.290 nan 0.000 0.525 345 G N -0.073 108.740 108.800 0.021 0.000 2.920 345 G HA2 0.314 4.274 3.960 -0.000 0.000 0.208 345 G HA3 0.314 4.274 3.960 -0.000 0.000 0.208 345 G C 0.300 175.203 174.900 0.005 0.000 1.159 345 G CA 0.659 45.765 45.100 0.010 0.000 0.784 345 G HN 0.476 nan 8.290 nan 0.000 0.535 346 D N 0.201 120.609 120.400 0.014 0.000 2.400 346 D HA 0.353 4.993 4.640 -0.000 0.000 0.238 346 D C 1.424 177.725 176.300 0.003 0.000 1.157 346 D CA 1.267 55.282 54.000 0.026 0.000 0.889 346 D CB 0.943 41.759 40.800 0.027 0.000 1.199 346 D HN 0.223 nan 8.370 nan 0.000 0.436 347 G N 1.052 109.874 108.800 0.036 0.000 2.160 347 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.251 347 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.251 347 G C 0.046 174.910 174.900 -0.059 0.000 1.008 347 G CA 0.008 45.034 45.100 -0.123 0.000 0.724 347 G HN 0.336 nan 8.290 nan 0.000 0.514 348 K N 0.948 121.370 120.400 0.038 0.000 2.285 348 K HA 0.220 4.539 4.320 -0.000 0.000 0.286 348 K C 0.510 177.124 176.600 0.023 0.000 1.072 348 K CA -0.667 55.628 56.287 0.013 0.000 0.913 348 K CB 0.653 33.140 32.500 -0.022 0.000 1.067 348 K HN 0.502 nan 8.250 nan 0.000 0.479 349 H N 4.715 123.748 119.070 -0.060 0.000 2.928 349 H HA -0.004 4.551 4.556 -0.001 0.000 0.338 349 H C -1.589 173.559 175.328 -0.300 0.000 1.047 349 H CA -0.967 54.988 56.048 -0.156 0.000 1.435 349 H CB 1.143 30.838 29.762 -0.113 0.000 1.428 349 H HN 0.228 nan 8.280 nan 0.000 0.590 350 P HA -0.170 nan 4.420 nan 0.000 0.219 350 P C 0.875 177.914 177.300 -0.435 0.000 1.146 350 P CA 1.137 63.704 63.100 -0.888 0.000 0.808 350 P CB -0.082 30.515 31.700 -1.839 0.000 0.779 351 Y N 0.391 120.578 120.300 -0.188 0.000 2.274 351 Y HA -0.129 4.421 4.550 -0.000 0.000 0.290 351 Y C 1.497 177.412 175.900 0.026 0.000 1.145 351 Y CA 0.910 59.051 58.100 0.067 0.000 1.203 351 Y CB -0.907 37.675 38.460 0.203 0.000 0.984 351 Y HN 0.084 nan 8.280 nan 0.000 0.533 352 D N -0.749 119.749 120.400 0.163 0.000 2.424 352 D HA 0.140 4.779 4.640 -0.000 0.000 0.220 352 D C 0.992 177.304 176.300 0.020 0.000 1.150 352 D CA 0.167 54.214 54.000 0.079 0.000 0.831 352 D CB -0.132 40.708 40.800 0.067 0.000 0.981 352 D HN 0.152 nan 8.370 nan 0.000 0.500 353 G N 0.679 109.467 108.800 -0.021 0.000 2.484 353 G HA2 0.266 4.226 3.960 -0.000 0.000 0.235 353 G HA3 0.266 4.226 3.960 -0.000 0.000 0.235 353 G C 0.124 175.015 174.900 -0.016 0.000 1.282 353 G CA 0.015 45.083 45.100 -0.054 0.000 0.857 353 G HN 0.030 nan 8.290 nan 0.000 0.571 354 V N 1.263 121.156 119.914 -0.035 0.000 2.604 354 V HA 0.584 4.704 4.120 -0.000 0.000 0.305 354 V C -0.002 176.065 176.094 -0.045 0.000 1.043 354 V CA -0.667 61.625 62.300 -0.013 0.000 0.888 354 V CB 2.296 34.115 31.823 -0.006 0.000 0.995 354 V HN 0.805 nan 8.190 nan 0.000 0.429 355 T N 2.407 116.975 114.554 0.024 0.000 3.141 355 T HA 0.280 4.630 4.350 -0.000 0.000 0.377 355 T C -0.879 173.941 174.700 0.201 0.000 1.258 355 T CA -0.277 61.865 62.100 0.070 0.000 1.263 355 T CB 0.321 69.282 68.868 0.156 0.000 1.066 355 T HN 0.671 nan 8.240 nan 0.000 0.546 356 D N 4.417 124.964 120.400 0.246 0.000 2.458 356 D HA 0.299 4.938 4.640 -0.000 0.000 0.258 356 D C -2.383 174.093 176.300 0.293 0.000 1.134 356 D CA -2.173 51.957 54.000 0.217 0.000 0.915 356 D CB 1.287 42.167 40.800 0.134 0.000 1.028 356 D HN 0.147 nan 8.370 nan 0.000 0.508 357 P HA 0.126 nan 4.420 nan 0.000 0.268 357 P C -0.572 176.719 177.300 -0.015 0.000 1.204 357 P CA -0.086 62.987 63.100 -0.045 0.000 0.768 357 P CB 0.592 32.026 31.700 -0.443 0.000 0.842 358 K N 3.540 123.891 120.400 -0.081 0.000 2.740 358 K HA 0.207 4.527 4.320 -0.000 0.000 0.246 358 K C -1.461 175.024 176.600 -0.190 0.000 1.021 358 K CA -0.709 55.526 56.287 -0.088 0.000 1.021 358 K CB 0.626 33.072 32.500 -0.090 0.000 1.233 358 K HN 0.252 nan 8.250 nan 0.000 0.497 359 Y N 2.704 122.792 120.300 -0.354 0.000 2.336 359 Y HA 0.080 4.629 4.550 -0.000 0.000 0.331 359 Y C 1.178 176.813 175.900 -0.441 0.000 1.211 359 Y CA 1.052 58.728 58.100 -0.705 0.000 1.346 359 Y CB 1.243 39.358 38.460 -0.574 0.000 1.271 359 Y HN 0.753 nan 8.280 nan 0.000 0.538 360 T N 1.092 115.019 114.554 -1.045 0.000 3.571 360 T HA 0.341 4.691 4.350 -0.000 0.000 0.217 360 T C -0.423 173.885 174.700 -0.653 0.000 0.925 360 T CA 0.300 62.095 62.100 -0.509 0.000 1.376 360 T CB 0.158 68.944 68.868 -0.136 0.000 1.375 360 T HN 0.644 nan 8.240 nan 0.000 0.404 361 K N -0.145 119.847 120.400 -0.680 0.000 2.625 361 K HA 0.538 4.857 4.320 -0.000 0.000 0.284 361 K C -1.790 174.718 176.600 -0.153 0.000 0.984 361 K CA -1.050 54.987 56.287 -0.416 0.000 0.865 361 K CB 1.048 33.472 32.500 -0.128 0.000 1.468 361 K HN 0.234 nan 8.250 nan 0.000 0.407 362 L N 2.788 124.026 121.223 0.026 0.000 2.540 362 L HA 0.111 4.451 4.340 -0.000 0.000 0.276 362 L C -0.403 176.538 176.870 0.118 0.000 1.212 362 L CA 1.525 56.469 54.840 0.173 0.000 0.893 362 L CB -0.556 41.593 42.059 0.151 0.000 1.138 362 L HN 0.804 nan 8.230 nan 0.000 0.491 363 D N 1.329 121.816 120.400 0.145 0.000 3.012 363 D HA -0.230 4.410 4.640 -0.000 0.000 0.222 363 D C -0.118 176.139 176.300 -0.072 0.000 1.167 363 D CA 1.192 55.177 54.000 -0.026 0.000 0.854 363 D CB -1.327 39.419 40.800 -0.089 0.000 1.107 363 D HN 0.789 nan 8.370 nan 0.000 0.421 364 D N 0.337 120.756 120.400 0.032 0.000 2.382 364 D HA 0.065 4.705 4.640 -0.000 0.000 0.259 364 D C 1.176 177.470 176.300 -0.010 0.000 1.224 364 D CA -0.092 53.918 54.000 0.017 0.000 0.894 364 D CB 0.886 41.743 40.800 0.094 0.000 1.127 364 D HN -0.237 nan 8.370 nan 0.000 0.487 365 K N 2.392 122.741 120.400 -0.086 0.000 2.362 365 K HA -0.046 4.274 4.320 -0.000 0.000 0.200 365 K C 0.761 177.453 176.600 0.155 0.000 1.046 365 K CA 0.712 56.952 56.287 -0.078 0.000 0.952 365 K CB 0.146 32.575 32.500 -0.119 0.000 0.753 365 K HN 0.458 nan 8.250 nan 0.000 0.466 366 D N -0.739 119.672 120.400 0.019 0.000 2.305 366 D HA -0.020 4.619 4.640 -0.000 0.000 0.206 366 D C -0.164 175.737 176.300 -0.664 0.000 0.974 366 D CA 0.686 54.529 54.000 -0.262 0.000 0.871 366 D CB 0.278 40.888 40.800 -0.318 0.000 0.947 366 D HN 0.246 nan 8.370 nan 0.000 0.516 367 H N -0.274 118.757 119.070 -0.066 0.000 3.277 367 H HA 0.094 4.650 4.556 -0.000 0.000 0.329 367 H C -0.815 174.095 175.328 -0.697 0.000 1.034 367 H CA -0.394 55.420 56.048 -0.390 0.000 1.530 367 H CB 0.335 29.907 29.762 -0.317 0.000 1.837 367 H HN 0.081 nan 8.280 nan 0.000 0.493 368 Y N 0.661 120.402 120.300 -0.932 0.000 2.779 368 Y HA 0.562 5.112 4.550 -0.000 0.000 0.251 368 Y C -0.345 174.798 175.900 -1.262 0.000 1.145 368 Y CA -0.661 56.832 58.100 -1.011 0.000 1.201 368 Y CB 0.755 39.019 38.460 -0.327 0.000 1.281 368 Y HN 0.299 nan 8.280 nan 0.000 0.563 369 S N -0.598 114.039 115.700 -1.771 0.000 2.535 369 S HA 0.233 4.703 4.470 -0.000 0.000 0.272 369 S C -0.951 173.382 174.600 -0.445 0.000 1.149 369 S CA -0.709 56.980 58.200 -0.852 0.000 0.888 369 S CB 0.265 63.186 63.200 -0.465 0.000 1.110 369 S HN 0.435 nan 8.310 nan 0.000 0.463 370 W N 2.953 124.386 121.300 0.222 0.000 2.800 370 W HA 0.250 4.910 4.660 -0.000 0.000 0.249 370 W C 1.043 177.749 176.519 0.312 0.000 1.294 370 W CA -0.253 57.278 57.345 0.309 0.000 1.402 370 W CB 0.172 29.886 29.460 0.423 0.000 1.126 370 W HN 0.306 nan 8.180 nan 0.000 0.652 371 M N 1.385 121.200 119.600 0.358 0.000 2.235 371 M HA 0.121 4.601 4.480 -0.000 0.000 0.351 371 M C 0.632 177.054 176.300 0.203 0.000 1.178 371 M CA 0.214 55.663 55.300 0.248 0.000 1.143 371 M CB 0.875 33.551 32.600 0.127 0.000 1.530 371 M HN -0.212 nan 8.290 nan 0.000 0.461 372 K N 1.309 121.793 120.400 0.140 0.000 2.149 372 K HA 0.455 4.775 4.320 -0.000 0.000 0.245 372 K C -0.266 176.292 176.600 -0.070 0.000 1.024 372 K CA -0.392 55.898 56.287 0.004 0.000 0.899 372 K CB 0.536 32.963 32.500 -0.122 0.000 1.038 372 K HN 0.742 nan 8.250 nan 0.000 0.496 373 A N 2.718 125.475 122.820 -0.105 0.000 2.316 373 A HA 0.378 4.698 4.320 -0.000 0.000 0.324 373 A C -2.483 174.938 177.584 -0.272 0.000 1.375 373 A CA -1.760 50.187 52.037 -0.149 0.000 0.882 373 A CB 0.331 19.281 19.000 -0.082 0.000 1.152 373 A HN 0.291 nan 8.150 nan 0.000 0.512 374 P HA 0.452 nan 4.420 nan 0.000 0.280 374 P C -0.522 176.374 177.300 -0.673 0.000 1.244 374 P CA -0.194 62.395 63.100 -0.851 0.000 0.784 374 P CB 0.905 31.558 31.700 -1.744 0.000 0.913 375 R N 2.179 122.290 120.500 -0.649 0.000 2.837 375 R HA 0.500 4.840 4.340 -0.000 0.000 0.271 375 R C -1.423 174.750 176.300 -0.212 0.000 0.993 375 R CA -0.847 55.027 56.100 -0.377 0.000 0.931 375 R CB 1.726 31.700 30.300 -0.544 0.000 1.206 375 R HN 0.499 nan 8.270 nan 0.000 0.474 376 Y N 1.286 121.591 120.300 0.008 0.000 2.327 376 Y HA 0.183 4.732 4.550 -0.001 0.000 0.325 376 Y C -0.231 175.759 175.900 0.150 0.000 0.999 376 Y CA -0.429 57.755 58.100 0.140 0.000 1.195 376 Y CB 0.899 39.470 38.460 0.186 0.000 1.132 376 Y HN 0.658 nan 8.280 nan 0.000 0.455 377 K N 4.417 124.819 120.400 0.003 0.000 3.071 377 K HA -0.260 4.060 4.320 -0.000 0.000 0.262 377 K C 0.966 177.679 176.600 0.188 0.000 0.977 377 K CA 1.042 57.383 56.287 0.090 0.000 0.721 377 K CB -1.641 30.860 32.500 0.002 0.000 1.293 377 K HN 1.293 nan 8.250 nan 0.000 0.475 378 G N -0.416 108.563 108.800 0.299 0.000 2.179 378 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.260 378 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.260 378 G C -0.048 174.941 174.900 0.148 0.000 0.977 378 G CA 0.872 46.121 45.100 0.248 0.000 0.641 378 G HN 0.362 nan 8.290 nan 0.000 0.533 379 K N 0.498 120.987 120.400 0.149 0.000 2.156 379 K HA 0.733 5.053 4.320 -0.000 0.000 0.254 379 K C 0.474 177.158 176.600 0.141 0.000 0.950 379 K CA -0.111 56.250 56.287 0.125 0.000 0.849 379 K CB 1.898 34.475 32.500 0.128 0.000 1.100 379 K HN 0.418 nan 8.250 nan 0.000 0.434 380 A N 3.021 125.898 122.820 0.095 0.000 2.351 380 A HA 0.529 4.849 4.320 -0.000 0.000 0.257 380 A C -0.401 177.250 177.584 0.111 0.000 1.087 380 A CA -0.197 51.915 52.037 0.126 0.000 0.798 380 A CB 0.367 19.403 19.000 0.059 0.000 1.033 380 A HN 0.555 nan 8.150 nan 0.000 0.488 381 M N 1.528 121.232 119.600 0.174 0.000 2.267 381 M HA 0.296 4.775 4.480 -0.000 0.000 0.289 381 M C -0.465 175.841 176.300 0.009 0.000 1.043 381 M CA -0.233 55.054 55.300 -0.022 0.000 0.928 381 M CB 1.594 34.027 32.600 -0.279 0.000 1.613 381 M HN 0.959 nan 8.290 nan 0.000 0.450 382 E N 2.918 123.077 120.200 -0.069 0.000 2.289 382 E HA 0.512 4.862 4.350 -0.000 0.000 0.278 382 E C -1.000 175.624 176.600 0.040 0.000 1.032 382 E CA -0.550 55.892 56.400 0.070 0.000 0.854 382 E CB 1.157 30.904 29.700 0.078 0.000 1.046 382 E HN 0.545 nan 8.360 nan 0.000 0.409 383 V N 1.195 121.156 119.914 0.078 0.000 3.046 383 V HA 0.998 5.118 4.120 -0.000 0.000 0.316 383 V C 0.345 176.492 176.094 0.089 0.000 1.104 383 V CA 0.223 62.514 62.300 -0.015 0.000 1.006 383 V CB 1.034 32.749 31.823 -0.180 0.000 1.058 383 V HN 1.021 nan 8.190 nan 0.000 0.440 384 G N 2.366 111.198 108.800 0.054 0.000 2.352 384 G HA2 0.026 3.985 3.960 -0.000 0.000 0.324 384 G HA3 0.026 3.985 3.960 -0.000 0.000 0.324 384 G C -2.516 172.437 174.900 0.088 0.000 1.249 384 G CA -0.007 45.142 45.100 0.082 0.000 1.053 384 G HN 0.652 nan 8.290 nan 0.000 0.492 385 P HA -0.057 nan 4.420 nan 0.000 0.215 385 P C 2.288 179.586 177.300 -0.005 0.000 1.157 385 P CA 1.655 64.807 63.100 0.087 0.000 0.874 385 P CB 0.058 31.764 31.700 0.010 0.000 0.790 386 L N -0.489 120.704 121.223 -0.051 0.000 2.046 386 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 386 L C 2.255 179.042 176.870 -0.138 0.000 1.077 386 L CA 2.093 56.844 54.840 -0.149 0.000 0.747 386 L CB -1.626 40.399 42.059 -0.057 0.000 0.896 386 L HN -0.117 nan 8.230 nan 0.000 0.432 387 A N -0.505 122.360 122.820 0.075 0.000 1.865 387 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 387 A C 2.453 180.013 177.584 -0.040 0.000 1.191 387 A CA 1.994 54.095 52.037 0.107 0.000 0.623 387 A CB -0.599 18.514 19.000 0.187 0.000 0.826 387 A HN 0.483 nan 8.150 nan 0.000 0.444 388 R N -1.182 119.295 120.500 -0.039 0.000 2.081 388 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 388 R C 2.337 178.425 176.300 -0.354 0.000 1.131 388 R CA 1.830 57.862 56.100 -0.113 0.000 0.960 388 R CB -0.698 29.637 30.300 0.058 0.000 0.856 388 R HN 0.568 nan 8.270 nan 0.000 0.436 389 T N 0.716 115.112 114.554 -0.263 0.000 2.708 389 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 389 T C 1.442 175.953 174.700 -0.315 0.000 1.037 389 T CA 1.264 63.187 62.100 -0.294 0.000 1.146 389 T CB -0.265 68.472 68.868 -0.218 0.000 0.865 389 T HN 0.054 nan 8.240 nan 0.000 0.435 390 F N 1.074 120.842 119.950 -0.303 0.000 2.134 390 F HA 0.037 4.563 4.527 -0.000 0.000 0.299 390 F C 2.162 177.857 175.800 -0.175 0.000 1.097 390 F CA 0.308 58.137 58.000 -0.284 0.000 1.264 390 F CB -0.760 37.910 39.000 -0.551 0.000 1.001 390 F HN 0.148 nan 8.300 nan 0.000 0.479 391 I N -0.643 119.913 120.570 -0.023 0.000 2.202 391 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 391 I C 2.608 178.655 176.117 -0.117 0.000 1.091 391 I CA 1.228 62.495 61.300 -0.056 0.000 1.368 391 I CB -0.828 37.130 38.000 -0.070 0.000 1.058 391 I HN 0.070 nan 8.210 nan 0.000 0.410 392 A N 0.146 122.785 122.820 -0.301 0.000 1.877 392 A HA -0.281 4.038 4.320 -0.000 0.000 0.216 392 A C 2.313 179.823 177.584 -0.122 0.000 1.186 392 A CA 1.554 53.360 52.037 -0.386 0.000 0.620 392 A CB -1.110 17.174 19.000 -1.194 0.000 0.822 392 A HN 0.464 nan 8.150 nan 0.000 0.443 393 Y N 0.623 120.818 120.300 -0.175 0.000 2.097 393 Y HA -0.187 4.362 4.550 -0.000 0.000 0.282 393 Y C 2.746 178.638 175.900 -0.014 0.000 1.152 393 Y CA 1.421 59.498 58.100 -0.038 0.000 1.136 393 Y CB -0.655 37.793 38.460 -0.019 0.000 0.975 393 Y HN 0.308 nan 8.280 nan 0.000 0.498 394 A N -0.157 122.687 122.820 0.041 0.000 1.972 394 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 394 A C 2.091 179.634 177.584 -0.068 0.000 1.169 394 A CA 1.768 53.789 52.037 -0.027 0.000 0.635 394 A CB -0.495 18.527 19.000 0.037 0.000 0.810 394 A HN 0.520 nan 8.150 nan 0.000 0.446 395 K N -1.382 118.983 120.400 -0.059 0.000 2.459 395 K HA 0.197 4.517 4.320 -0.000 0.000 0.193 395 K C 0.934 177.496 176.600 -0.063 0.000 1.030 395 K CA 0.442 56.699 56.287 -0.051 0.000 1.026 395 K CB -0.055 32.423 32.500 -0.036 0.000 0.809 395 K HN 0.639 nan 8.250 nan 0.000 0.504 396 G N 2.326 111.064 108.800 -0.102 0.000 2.198 396 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.257 396 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.257 396 G C -0.159 174.722 174.900 -0.031 0.000 1.042 396 G CA -0.103 44.934 45.100 -0.105 0.000 0.791 396 G HN 0.311 nan 8.290 nan 0.000 0.502 397 Q N -0.068 119.735 119.800 0.005 0.000 2.244 397 Q HA 0.137 4.476 4.340 -0.000 0.000 0.278 397 Q C -0.898 175.166 176.000 0.107 0.000 1.093 397 Q CA -0.857 54.988 55.803 0.069 0.000 0.916 397 Q CB 0.939 29.728 28.738 0.086 0.000 1.159 397 Q HN 0.271 nan 8.270 nan 0.000 0.384 398 P HA -0.118 nan 4.420 nan 0.000 0.217 398 P C 0.337 177.659 177.300 0.036 0.000 1.150 398 P CA 0.970 64.094 63.100 0.040 0.000 0.832 398 P CB 0.390 32.101 31.700 0.018 0.000 0.787 399 D N -1.589 118.832 120.400 0.035 0.000 2.117 399 D HA -0.078 4.561 4.640 -0.000 0.000 0.198 399 D C 1.758 177.990 176.300 -0.112 0.000 0.982 399 D CA 1.019 54.981 54.000 -0.064 0.000 0.828 399 D CB -0.710 40.021 40.800 -0.115 0.000 0.967 399 D HN 0.139 nan 8.370 nan 0.000 0.464 400 F N 1.350 121.255 119.950 -0.075 0.000 2.113 400 F HA -0.056 4.471 4.527 -0.001 0.000 0.297 400 F C 2.409 178.248 175.800 0.064 0.000 1.103 400 F CA 0.940 58.901 58.000 -0.064 0.000 1.248 400 F CB -0.134 38.819 39.000 -0.079 0.000 0.999 400 F HN -0.170 nan 8.300 nan 0.000 0.475 401 K N 0.670 121.250 120.400 0.301 0.000 2.113 401 K HA -0.282 4.037 4.320 -0.000 0.000 0.208 401 K C 2.177 178.889 176.600 0.187 0.000 1.047 401 K CA 1.787 58.257 56.287 0.305 0.000 0.928 401 K CB -0.115 32.426 32.500 0.068 0.000 0.716 401 K HN 0.163 nan 8.250 nan 0.000 0.446 402 K N 0.077 120.512 120.400 0.058 0.000 1.991 402 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 402 K C 1.852 178.417 176.600 -0.059 0.000 1.045 402 K CA 1.351 57.632 56.287 -0.011 0.000 0.937 402 K CB 0.031 32.502 32.500 -0.047 0.000 0.720 402 K HN -0.039 nan 8.250 nan 0.000 0.438 403 V N 0.647 120.489 119.914 -0.120 0.000 2.427 403 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 403 V C 2.302 178.285 176.094 -0.185 0.000 1.051 403 V CA 1.372 63.561 62.300 -0.185 0.000 1.048 403 V CB -0.172 31.481 31.823 -0.283 0.000 0.666 403 V HN 0.170 nan 8.190 nan 0.000 0.456 404 V N 0.398 120.211 119.914 -0.170 0.000 2.287 404 V HA -0.285 3.834 4.120 -0.000 0.000 0.248 404 V C 2.331 178.293 176.094 -0.220 0.000 1.053 404 V CA 2.353 64.494 62.300 -0.266 0.000 1.027 404 V CB -0.668 30.868 31.823 -0.479 0.000 0.646 404 V HN 0.544 nan 8.190 nan 0.000 0.447 405 D N -0.802 119.546 120.400 -0.087 0.000 2.144 405 D HA -0.155 4.484 4.640 -0.000 0.000 0.200 405 D C 2.081 178.339 176.300 -0.071 0.000 0.978 405 D CA 1.012 54.990 54.000 -0.037 0.000 0.833 405 D CB -0.323 40.507 40.800 0.050 0.000 0.961 405 D HN 0.256 nan 8.370 nan 0.000 0.470 406 M N 0.839 120.386 119.600 -0.088 0.000 2.108 406 M HA -0.157 4.322 4.480 -0.000 0.000 0.261 406 M C 1.893 178.123 176.300 -0.118 0.000 1.066 406 M CA 1.215 56.455 55.300 -0.100 0.000 1.107 406 M CB -0.352 32.178 32.600 -0.116 0.000 1.356 406 M HN -0.122 nan 8.290 nan 0.000 0.406 407 V N 0.905 120.729 119.914 -0.149 0.000 2.307 407 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 407 V C 2.622 178.635 176.094 -0.134 0.000 1.045 407 V CA 1.523 63.727 62.300 -0.160 0.000 1.024 407 V CB -0.776 30.925 31.823 -0.203 0.000 0.651 407 V HN 0.485 nan 8.190 nan 0.000 0.449 408 L N 0.377 121.519 121.223 -0.135 0.000 2.083 408 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 408 L C 2.625 179.451 176.870 -0.073 0.000 1.083 408 L CA 1.706 56.484 54.840 -0.104 0.000 0.752 408 L CB -1.247 40.750 42.059 -0.104 0.000 0.899 408 L HN 0.485 nan 8.230 nan 0.000 0.433 409 G N 0.012 108.771 108.800 -0.069 0.000 2.511 409 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.216 409 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.216 409 G C 1.598 176.459 174.900 -0.065 0.000 1.218 409 G CA 0.359 45.425 45.100 -0.057 0.000 0.788 409 G HN 0.126 nan 8.290 nan 0.000 0.560 410 K N 0.194 120.547 120.400 -0.078 0.000 2.127 410 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 410 K C 2.368 178.919 176.600 -0.082 0.000 1.047 410 K CA 0.980 57.217 56.287 -0.082 0.000 0.927 410 K CB -0.407 32.035 32.500 -0.097 0.000 0.716 410 K HN 0.386 nan 8.250 nan 0.000 0.450 411 L N -0.462 120.713 121.223 -0.081 0.000 2.554 411 L HA 0.101 4.440 4.340 -0.000 0.000 0.225 411 L C 0.773 177.608 176.870 -0.058 0.000 1.104 411 L CA -0.145 54.651 54.840 -0.074 0.000 0.866 411 L CB 0.151 42.167 42.059 -0.073 0.000 1.047 411 L HN -0.017 nan 8.230 nan 0.000 0.468 412 S N 0.523 116.192 115.700 -0.052 0.000 3.783 412 S HA -0.114 4.355 4.470 -0.000 0.000 0.360 412 S C -0.139 174.446 174.600 -0.026 0.000 1.006 412 S CA 0.483 58.660 58.200 -0.038 0.000 1.115 412 S CB -1.224 61.952 63.200 -0.040 0.000 0.893 412 S HN 0.315 nan 8.310 nan 0.000 0.475 413 V N -0.699 119.199 119.914 -0.026 0.000 2.914 413 V HA 0.949 5.068 4.120 -0.000 0.000 0.314 413 V C -2.021 174.069 176.094 -0.007 0.000 1.084 413 V CA -2.068 60.226 62.300 -0.011 0.000 0.963 413 V CB 1.795 33.612 31.823 -0.009 0.000 1.025 413 V HN 0.192 nan 8.190 nan 0.000 0.432 414 P HA 0.337 nan 4.420 nan 0.000 0.274 414 P C 0.646 177.964 177.300 0.029 0.000 1.256 414 P CA 0.069 63.187 63.100 0.030 0.000 0.795 414 P CB 1.435 33.164 31.700 0.048 0.000 1.038 415 A N 0.911 123.761 122.820 0.050 0.000 2.015 415 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 415 A C 1.929 179.579 177.584 0.110 0.000 1.163 415 A CA 2.081 54.143 52.037 0.043 0.000 0.646 415 A CB -1.900 17.171 19.000 0.119 0.000 0.806 415 A HN 0.697 nan 8.150 nan 0.000 0.448 416 T N -2.401 112.244 114.554 0.152 0.000 3.007 416 T HA 0.129 4.479 4.350 -0.000 0.000 0.270 416 T C 1.660 176.501 174.700 0.234 0.000 1.107 416 T CA 1.176 63.429 62.100 0.255 0.000 1.118 416 T CB -0.365 68.627 68.868 0.208 0.000 0.889 416 T HN 0.519 nan 8.240 nan 0.000 0.506 417 A N 1.039 123.935 122.820 0.127 0.000 2.168 417 A HA 0.353 4.673 4.320 -0.000 0.000 0.215 417 A C 2.170 179.809 177.584 0.091 0.000 1.152 417 A CA 0.431 52.531 52.037 0.105 0.000 0.716 417 A CB -0.718 18.317 19.000 0.058 0.000 0.794 417 A HN 0.585 nan 8.150 nan 0.000 0.465 418 L N -0.811 120.443 121.223 0.051 0.000 2.418 418 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 418 L C 0.605 177.552 176.870 0.128 0.000 1.125 418 L CA 0.127 54.946 54.840 -0.035 0.000 0.835 418 L CB -0.433 41.422 42.059 -0.339 0.000 0.953 418 L HN 0.380 nan 8.230 nan 0.000 0.454 419 H N 1.410 120.713 119.070 0.388 0.000 3.563 419 H HA 0.206 4.762 4.556 -0.000 0.000 0.219 419 H C 0.252 175.722 175.328 0.236 0.000 1.771 419 H CA 0.349 56.614 56.048 0.361 0.000 1.458 419 H CB -0.401 29.499 29.762 0.229 0.000 1.796 419 H HN 0.295 nan 8.280 nan 0.000 0.652 420 S N -1.125 114.747 115.700 0.288 0.000 2.615 420 S HA 0.106 4.576 4.470 -0.000 0.000 0.268 420 S C 0.910 175.643 174.600 0.221 0.000 1.146 420 S CA -0.665 57.677 58.200 0.238 0.000 0.818 420 S CB 1.373 64.701 63.200 0.214 0.000 1.111 420 S HN 0.117 nan 8.310 nan 0.000 0.465 421 T N 1.212 115.949 114.554 0.305 0.000 2.788 421 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 421 T C 1.735 176.627 174.700 0.319 0.000 1.044 421 T CA 1.782 64.100 62.100 0.363 0.000 1.139 421 T CB -0.583 68.651 68.868 0.610 0.000 0.867 421 T HN 0.493 nan 8.240 nan 0.000 0.454 422 L N 1.370 122.785 121.223 0.321 0.000 2.012 422 L HA 0.039 4.378 4.340 -0.000 0.000 0.210 422 L C 2.598 179.495 176.870 0.044 0.000 1.073 422 L CA 2.051 56.987 54.840 0.159 0.000 0.748 422 L CB -1.256 40.909 42.059 0.176 0.000 0.891 422 L HN 0.307 nan 8.230 nan 0.000 0.431 423 G N -1.251 107.574 108.800 0.042 0.000 2.421 423 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.216 423 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.216 423 G C 1.824 176.666 174.900 -0.096 0.000 1.171 423 G CA 0.810 45.871 45.100 -0.066 0.000 0.775 423 G HN 0.378 nan 8.290 nan 0.000 0.543 424 R N -0.305 120.179 120.500 -0.026 0.000 2.105 424 R HA -0.091 4.249 4.340 -0.000 0.000 0.239 424 R C 2.670 178.959 176.300 -0.018 0.000 1.135 424 R CA 1.956 58.021 56.100 -0.059 0.000 0.967 424 R CB -0.354 29.881 30.300 -0.108 0.000 0.861 424 R HN 0.374 nan 8.270 nan 0.000 0.442 425 T N 0.061 114.652 114.554 0.061 0.000 2.770 425 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 425 T C 1.796 176.487 174.700 -0.014 0.000 1.039 425 T CA 1.085 63.259 62.100 0.125 0.000 1.142 425 T CB -0.226 68.732 68.868 0.151 0.000 0.868 425 T HN 0.407 nan 8.240 nan 0.000 0.435 426 A N 1.692 124.451 122.820 -0.102 0.000 1.908 426 A HA 0.108 4.427 4.320 -0.000 0.000 0.218 426 A C 2.653 180.109 177.584 -0.214 0.000 1.181 426 A CA 1.893 53.817 52.037 -0.188 0.000 0.627 426 A CB -1.171 17.712 19.000 -0.195 0.000 0.818 426 A HN 0.500 nan 8.150 nan 0.000 0.445 427 A N -0.296 122.407 122.820 -0.195 0.000 1.908 427 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 427 A C 2.239 179.740 177.584 -0.140 0.000 1.181 427 A CA 1.923 53.846 52.037 -0.190 0.000 0.627 427 A CB -0.523 18.352 19.000 -0.208 0.000 0.818 427 A HN 0.582 nan 8.150 nan 0.000 0.445 428 R N -0.704 119.706 120.500 -0.151 0.000 2.081 428 R HA -0.112 4.227 4.340 -0.000 0.000 0.235 428 R C 2.232 178.413 176.300 -0.199 0.000 1.131 428 R CA 1.641 57.591 56.100 -0.250 0.000 0.960 428 R CB -0.630 29.523 30.300 -0.245 0.000 0.856 428 R HN 0.466 nan 8.270 nan 0.000 0.436 429 G N 0.742 109.385 108.800 -0.262 0.000 2.394 429 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 429 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 429 G C 1.461 176.111 174.900 -0.418 0.000 1.165 429 G CA 0.704 45.445 45.100 -0.598 0.000 0.784 429 G HN 0.254 nan 8.290 nan 0.000 0.535 430 I N 1.596 121.973 120.570 -0.322 0.000 2.113 430 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 430 I C 2.953 178.894 176.117 -0.294 0.000 1.064 430 I CA 2.081 63.197 61.300 -0.308 0.000 1.320 430 I CB -0.259 37.570 38.000 -0.285 0.000 1.028 430 I HN 0.498 nan 8.210 nan 0.000 0.406 431 E N 0.107 120.223 120.200 -0.141 0.000 2.208 431 E HA -0.148 4.201 4.350 -0.000 0.000 0.193 431 E C 1.848 178.567 176.600 0.197 0.000 0.988 431 E CA 1.530 57.924 56.400 -0.010 0.000 0.828 431 E CB -0.400 29.515 29.700 0.359 0.000 0.763 431 E HN 0.383 nan 8.360 nan 0.000 0.478 432 T N 1.258 115.937 114.554 0.208 0.000 2.708 432 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 432 T C 2.086 176.827 174.700 0.067 0.000 1.037 432 T CA 1.499 63.755 62.100 0.261 0.000 1.146 432 T CB -0.376 68.694 68.868 0.337 0.000 0.865 432 T HN 0.413 nan 8.240 nan 0.000 0.435 433 A N 1.416 124.179 122.820 -0.094 0.000 1.892 433 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 433 A C 2.303 179.799 177.584 -0.147 0.000 1.188 433 A CA 1.572 53.521 52.037 -0.147 0.000 0.631 433 A CB -0.931 17.932 19.000 -0.228 0.000 0.822 433 A HN 0.549 nan 8.150 nan 0.000 0.447 434 I N -0.588 119.868 120.570 -0.191 0.000 2.226 434 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 434 I C 2.342 178.411 176.117 -0.080 0.000 1.100 434 I CA 1.083 62.256 61.300 -0.212 0.000 1.374 434 I CB -0.424 37.287 38.000 -0.482 0.000 1.057 434 I HN 0.162 nan 8.210 nan 0.000 0.413 435 V N 0.274 120.224 119.914 0.060 0.000 2.287 435 V HA -0.342 3.777 4.120 -0.000 0.000 0.248 435 V C 2.647 178.669 176.094 -0.121 0.000 1.053 435 V CA 1.953 64.246 62.300 -0.013 0.000 1.027 435 V CB -0.648 31.225 31.823 0.084 0.000 0.646 435 V HN 0.573 nan 8.190 nan 0.000 0.447 436 c N 0.287 118.849 118.600 -0.063 0.000 2.401 436 c HA -0.186 4.384 4.570 -0.000 0.000 0.276 436 c C 3.050 177.040 174.090 -0.167 0.000 1.233 436 c CA 0.999 57.275 56.329 -0.089 0.000 1.753 436 c CB -1.372 41.110 42.510 -0.046 0.000 2.029 436 c HN 0.647 nan 8.230 nan 0.000 0.478 437 A N 0.057 122.759 122.820 -0.197 0.000 2.121 437 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 437 A C 1.818 179.197 177.584 -0.341 0.000 1.154 437 A CA 1.474 53.374 52.037 -0.229 0.000 0.679 437 A CB -0.405 18.469 19.000 -0.209 0.000 0.795 437 A HN 0.743 nan 8.150 nan 0.000 0.458 438 N N -1.115 117.276 118.700 -0.515 0.000 2.254 438 N HA 0.073 4.813 4.740 -0.000 0.000 0.190 438 N C 1.255 176.234 175.510 -0.884 0.000 1.107 438 N CA 0.109 52.592 53.050 -0.945 0.000 0.869 438 N CB 0.082 37.560 38.487 -1.683 0.000 0.983 438 N HN 0.281 nan 8.380 nan 0.000 0.487 439 M N 1.078 120.427 119.600 -0.420 0.000 2.086 439 M HA -0.126 4.353 4.480 -0.000 0.000 0.261 439 M C 2.089 178.338 176.300 -0.084 0.000 1.067 439 M CA 1.415 56.630 55.300 -0.141 0.000 1.116 439 M CB -1.000 31.534 32.600 -0.109 0.000 1.348 439 M HN 0.177 nan 8.290 nan 0.000 0.407 440 E N 0.330 120.449 120.200 -0.136 0.000 2.077 440 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 440 E C 2.110 178.675 176.600 -0.058 0.000 0.989 440 E CA 1.391 57.743 56.400 -0.080 0.000 0.800 440 E CB 0.032 29.679 29.700 -0.089 0.000 0.746 440 E HN 0.395 nan 8.360 nan 0.000 0.452 441 K N -0.221 120.094 120.400 -0.141 0.000 2.032 441 K HA -0.185 4.134 4.320 -0.000 0.000 0.209 441 K C 1.865 178.493 176.600 0.047 0.000 1.048 441 K CA 1.740 57.960 56.287 -0.111 0.000 0.927 441 K CB -0.202 32.146 32.500 -0.253 0.000 0.712 441 K HN 0.260 nan 8.250 nan 0.000 0.441 442 W N 0.980 122.265 121.300 -0.026 0.000 2.388 442 W HA -0.051 4.608 4.660 -0.000 0.000 0.294 442 W C 1.974 178.508 176.519 0.026 0.000 1.212 442 W CA 0.506 57.845 57.345 -0.009 0.000 1.271 442 W CB -0.718 28.721 29.460 -0.035 0.000 1.126 442 W HN 0.104 nan 8.180 nan 0.000 0.535 443 I N 0.217 120.942 120.570 0.258 0.000 2.202 443 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 443 I C 2.603 178.800 176.117 0.133 0.000 1.091 443 I CA 1.402 62.824 61.300 0.203 0.000 1.368 443 I CB -0.618 37.490 38.000 0.180 0.000 1.058 443 I HN -0.159 nan 8.210 nan 0.000 0.410 444 K N 0.871 121.330 120.400 0.098 0.000 2.063 444 K HA -0.280 4.040 4.320 -0.000 0.000 0.208 444 K C 2.114 178.760 176.600 0.077 0.000 1.048 444 K CA 1.852 58.180 56.287 0.069 0.000 0.928 444 K CB -0.133 32.392 32.500 0.041 0.000 0.713 444 K HN 0.319 nan 8.250 nan 0.000 0.442 445 E N 0.348 120.610 120.200 0.104 0.000 2.085 445 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 445 E C 2.046 178.695 176.600 0.082 0.000 0.994 445 E CA 1.283 57.743 56.400 0.100 0.000 0.801 445 E CB -0.028 29.757 29.700 0.142 0.000 0.743 445 E HN 0.317 nan 8.360 nan 0.000 0.453 446 M N -0.138 119.515 119.600 0.089 0.000 2.193 446 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 446 M C 2.256 178.586 176.300 0.050 0.000 1.071 446 M CA 1.380 56.717 55.300 0.061 0.000 1.140 446 M CB -0.012 32.619 32.600 0.051 0.000 1.369 446 M HN 0.199 nan 8.290 nan 0.000 0.423 447 A N 0.615 123.469 122.820 0.058 0.000 1.908 447 A HA -0.225 4.094 4.320 -0.000 0.000 0.218 447 A C 1.626 179.235 177.584 0.042 0.000 1.181 447 A CA 2.283 54.349 52.037 0.048 0.000 0.627 447 A CB -0.934 18.097 19.000 0.052 0.000 0.818 447 A HN 0.535 nan 8.150 nan 0.000 0.445 448 D N -0.873 119.553 120.400 0.043 0.000 2.097 448 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 448 D C 2.317 178.639 176.300 0.037 0.000 0.984 448 D CA 1.583 55.606 54.000 0.037 0.000 0.826 448 D CB -0.522 40.300 40.800 0.037 0.000 0.973 448 D HN 0.387 nan 8.370 nan 0.000 0.460 449 S N -0.164 115.561 115.700 0.041 0.000 2.368 449 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 449 S C 2.120 176.745 174.600 0.041 0.000 1.030 449 S CA 1.829 60.053 58.200 0.039 0.000 0.999 449 S CB -0.602 62.623 63.200 0.040 0.000 0.844 449 S HN 0.319 nan 8.310 nan 0.000 0.459 450 G N 0.650 109.475 108.800 0.042 0.000 2.440 450 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.218 450 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.218 450 G C 1.652 176.581 174.900 0.048 0.000 1.154 450 G CA 0.975 46.105 45.100 0.048 0.000 0.767 450 G HN 0.693 nan 8.290 nan 0.000 0.552 451 A N 0.324 123.168 122.820 0.039 0.000 1.930 451 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 451 A C 2.311 179.914 177.584 0.031 0.000 1.175 451 A CA 2.120 54.177 52.037 0.034 0.000 0.627 451 A CB -0.260 18.757 19.000 0.029 0.000 0.815 451 A HN 0.266 nan 8.150 nan 0.000 0.443 452 K N -0.262 120.157 120.400 0.032 0.000 2.025 452 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 452 K C -0.065 176.554 176.600 0.031 0.000 1.049 452 K CA 1.397 57.701 56.287 0.029 0.000 0.933 452 K CB 0.076 32.594 32.500 0.029 0.000 0.714 452 K HN 0.524 nan 8.250 nan 0.000 0.438 453 D N -1.251 119.173 120.400 0.039 0.000 2.861 453 D HA 0.009 4.649 4.640 -0.000 0.000 0.216 453 D C -1.109 175.231 176.300 0.066 0.000 1.323 453 D CA -0.370 53.657 54.000 0.045 0.000 0.917 453 D CB 0.246 41.071 40.800 0.041 0.000 1.582 453 D HN 0.209 nan 8.370 nan 0.000 0.576 454 N N 1.569 120.319 118.700 0.083 0.000 2.322 454 N HA 0.031 4.771 4.740 -0.000 0.000 0.216 454 N C -0.382 175.262 175.510 0.223 0.000 1.144 454 N CA -0.434 52.702 53.050 0.144 0.000 0.830 454 N CB 0.217 38.803 38.487 0.165 0.000 1.034 454 N HN 0.078 nan 8.380 nan 0.000 0.484 455 T N 1.268 115.915 114.554 0.156 0.000 2.866 455 T HA -0.018 4.331 4.350 -0.000 0.000 0.293 455 T C 0.622 175.405 174.700 0.139 0.000 1.005 455 T CA 0.081 62.281 62.100 0.167 0.000 1.162 455 T CB 1.042 69.971 68.868 0.102 0.000 0.968 455 T HN 0.268 nan 8.240 nan 0.000 0.530 456 L N 3.495 124.803 121.223 0.142 0.000 3.076 456 L HA 0.455 4.795 4.340 -0.000 0.000 0.271 456 L C 0.085 176.943 176.870 -0.021 0.000 1.152 456 L CA 0.272 55.104 54.840 -0.013 0.000 0.996 456 L CB 0.717 42.612 42.059 -0.272 0.000 1.453 456 L HN 0.733 nan 8.230 nan 0.000 0.571 457 C N 0.721 120.055 119.300 0.056 0.000 2.608 457 C HA 0.850 5.309 4.460 -0.000 0.000 0.325 457 C C 0.141 175.202 174.990 0.117 0.000 1.147 457 C CA -0.427 58.633 59.018 0.070 0.000 1.359 457 C CB 0.446 28.236 27.740 0.084 0.000 1.912 457 C HN 0.484 nan 8.230 nan 0.000 0.466 458 A N 5.327 128.219 122.820 0.120 0.000 2.293 458 A HA 0.635 4.955 4.320 -0.000 0.000 0.302 458 A C -0.190 177.535 177.584 0.235 0.000 1.119 458 A CA -0.377 51.745 52.037 0.143 0.000 0.823 458 A CB 0.462 19.528 19.000 0.110 0.000 1.097 458 A HN 0.906 nan 8.150 nan 0.000 0.491 459 K N 1.497 122.002 120.400 0.174 0.000 2.258 459 K HA 0.327 4.646 4.320 -0.000 0.000 0.264 459 K C -0.569 176.179 176.600 0.247 0.000 1.007 459 K CA 0.292 56.665 56.287 0.143 0.000 0.941 459 K CB 0.628 33.153 32.500 0.042 0.000 0.966 459 K HN 0.808 nan 8.250 nan 0.000 0.480 460 W N 0.643 121.950 121.300 0.012 0.000 3.066 460 W HA 0.425 5.085 4.660 0.000 0.000 0.330 460 W C -1.448 175.078 176.519 0.011 0.000 1.253 460 W CA -0.744 56.606 57.345 0.009 0.000 1.187 460 W CB 0.644 30.107 29.460 0.006 0.000 1.434 460 W HN 0.489 nan 8.180 nan 0.000 0.572 461 E N 1.354 121.654 120.200 0.167 0.000 2.266 461 E HA 0.391 4.741 4.350 -0.000 0.000 0.268 461 E C -0.929 175.834 176.600 0.272 0.000 0.879 461 E CA -1.389 55.002 56.400 -0.016 0.000 0.762 461 E CB 2.925 32.620 29.700 -0.010 0.000 1.199 461 E HN 0.271 nan 8.360 nan 0.000 0.422 462 M N 4.597 124.295 119.600 0.164 0.000 2.184 462 M HA 0.236 4.716 4.480 -0.000 0.000 0.351 462 M C -2.414 173.979 176.300 0.155 0.000 1.395 462 M CA -1.955 53.526 55.300 0.303 0.000 1.117 462 M CB 0.444 33.196 32.600 0.254 0.000 1.708 462 M HN 0.177 nan 8.290 nan 0.000 0.468 463 P HA 0.186 nan 4.420 nan 0.000 0.281 463 P C -0.193 177.147 177.300 0.067 0.000 1.249 463 P CA -0.204 62.946 63.100 0.084 0.000 0.810 463 P CB 0.744 32.487 31.700 0.072 0.000 1.008 464 E N 0.595 120.822 120.200 0.045 0.000 2.058 464 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 464 E C 0.127 176.747 176.600 0.033 0.000 0.997 464 E CA 1.533 57.954 56.400 0.036 0.000 0.801 464 E CB 0.240 29.954 29.700 0.024 0.000 0.746 464 E HN 0.569 nan 8.360 nan 0.000 0.450 465 E N -0.291 119.924 120.200 0.025 0.000 2.290 465 E HA 0.485 4.834 4.350 -0.000 0.000 0.274 465 E C -0.810 175.794 176.600 0.007 0.000 0.889 465 E CA -0.341 56.068 56.400 0.014 0.000 0.760 465 E CB 2.358 32.060 29.700 0.003 0.000 1.206 465 E HN -0.111 nan 8.360 nan 0.000 0.419 466 S N 1.426 117.125 115.700 -0.001 0.000 2.636 466 S HA 0.547 5.017 4.470 -0.000 0.000 0.266 466 S C -1.893 172.682 174.600 -0.041 0.000 1.147 466 S CA -0.824 57.365 58.200 -0.018 0.000 0.815 466 S CB 1.371 64.574 63.200 0.005 0.000 1.119 466 S HN 0.539 nan 8.310 nan 0.000 0.470 467 K N 0.246 120.602 120.400 -0.072 0.000 2.512 467 K HA 0.838 5.158 4.320 -0.000 0.000 0.263 467 K C -0.519 176.087 176.600 0.010 0.000 0.966 467 K CA -0.980 55.258 56.287 -0.082 0.000 0.851 467 K CB 1.667 33.937 32.500 -0.384 0.000 1.395 467 K HN 0.828 nan 8.250 nan 0.000 0.440 468 G N 0.261 109.152 108.800 0.151 0.000 2.698 468 G HA2 0.503 4.463 3.960 -0.000 0.000 0.293 468 G HA3 0.503 4.463 3.960 -0.000 0.000 0.293 468 G C -2.022 172.921 174.900 0.072 0.000 1.437 468 G CA -0.691 44.472 45.100 0.104 0.000 0.852 468 G HN 0.487 nan 8.290 nan 0.000 0.499 469 V N 0.228 120.048 119.914 -0.156 0.000 2.656 469 V HA 0.913 5.032 4.120 -0.000 0.000 0.307 469 V C 0.198 175.954 176.094 -0.562 0.000 1.051 469 V CA 0.107 62.045 62.300 -0.603 0.000 0.893 469 V CB 1.773 32.955 31.823 -1.068 0.000 0.999 469 V HN 1.392 nan 8.190 nan 0.000 0.426 470 G N 6.508 114.936 108.800 -0.619 0.000 2.417 470 G HA2 0.666 4.626 3.960 -0.000 0.000 0.320 470 G HA3 0.666 4.626 3.960 -0.000 0.000 0.320 470 G C -1.274 173.268 174.900 -0.597 0.000 1.204 470 G CA -0.625 44.167 45.100 -0.513 0.000 0.923 470 G HN 0.787 nan 8.290 nan 0.000 0.466 471 L N 1.455 122.311 121.223 -0.613 0.000 2.346 471 L HA 0.859 5.198 4.340 -0.000 0.000 0.274 471 L C 0.211 176.752 176.870 -0.550 0.000 1.007 471 L CA -0.899 53.575 54.840 -0.611 0.000 0.818 471 L CB 2.181 43.794 42.059 -0.743 0.000 1.284 471 L HN 0.652 nan 8.230 nan 0.000 0.424 472 A N 1.422 124.109 122.820 -0.222 0.000 2.574 472 A HA 0.577 4.897 4.320 -0.000 0.000 0.297 472 A C -1.724 175.907 177.584 0.079 0.000 1.062 472 A CA -0.573 51.375 52.037 -0.148 0.000 0.686 472 A CB 1.713 20.574 19.000 -0.231 0.000 1.285 472 A HN 0.667 nan 8.150 nan 0.000 0.403 473 D N 1.590 122.045 120.400 0.091 0.000 2.467 473 D HA 0.556 5.196 4.640 -0.000 0.000 0.220 473 D C 0.581 176.966 176.300 0.142 0.000 1.103 473 D CA 0.529 54.601 54.000 0.119 0.000 0.886 473 D CB 1.184 42.087 40.800 0.172 0.000 1.025 473 D HN 0.831 nan 8.370 nan 0.000 0.514 474 A N 3.822 126.680 122.820 0.063 0.000 2.327 474 A HA 0.323 4.642 4.320 -0.000 0.000 0.255 474 A C -1.192 176.336 177.584 -0.094 0.000 1.099 474 A CA -0.892 51.159 52.037 0.024 0.000 0.801 474 A CB 0.174 19.150 19.000 -0.040 0.000 1.062 474 A HN 0.371 nan 8.150 nan 0.000 0.496 475 P HA -0.173 nan 4.420 nan 0.000 0.217 475 P C 1.027 178.285 177.300 -0.070 0.000 1.151 475 P CA 1.652 64.444 63.100 -0.513 0.000 0.849 475 P CB 0.057 31.525 31.700 -0.387 0.000 0.787 476 R N -1.917 118.588 120.500 0.007 0.000 2.300 476 R HA 0.378 4.718 4.340 -0.000 0.000 0.199 476 R C 1.141 177.492 176.300 0.085 0.000 0.920 476 R CA 0.496 56.641 56.100 0.076 0.000 1.046 476 R CB 0.184 30.553 30.300 0.114 0.000 0.984 476 R HN 0.235 nan 8.270 nan 0.000 0.493 477 G N 0.074 108.906 108.800 0.053 0.000 2.270 477 G HA2 0.059 4.019 3.960 -0.000 0.000 0.268 477 G HA3 0.059 4.019 3.960 -0.000 0.000 0.268 477 G C -1.408 173.472 174.900 -0.033 0.000 1.312 477 G CA -0.626 44.486 45.100 0.019 0.000 1.050 477 G HN 0.167 nan 8.290 nan 0.000 0.474 478 A N -0.244 122.445 122.820 -0.219 0.000 2.505 478 A HA 0.531 4.851 4.320 -0.000 0.000 0.271 478 A C 0.016 177.589 177.584 -0.018 0.000 1.112 478 A CA 0.767 52.515 52.037 -0.481 0.000 0.781 478 A CB 0.047 18.171 19.000 -1.460 0.000 1.059 478 A HN 2.018 nan 8.150 nan 0.000 0.508 479 L N 3.644 125.027 121.223 0.266 0.000 2.329 479 L HA 0.768 5.108 4.340 -0.000 0.000 0.279 479 L C 0.001 177.099 176.870 0.380 0.000 1.014 479 L CA 0.230 55.258 54.840 0.312 0.000 0.814 479 L CB 2.018 44.109 42.059 0.054 0.000 1.257 479 L HN 0.687 nan 8.230 nan 0.000 0.424 480 S N 2.500 118.431 115.700 0.385 0.000 2.614 480 S HA 0.585 5.054 4.470 -0.000 0.000 0.275 480 S C -0.999 173.699 174.600 0.164 0.000 1.161 480 S CA -0.749 57.498 58.200 0.079 0.000 0.969 480 S CB 0.756 63.957 63.200 0.002 0.000 1.059 480 S HN 0.774 nan 8.310 nan 0.000 0.482 481 H N 0.949 119.789 119.070 -0.385 0.000 2.492 481 H HA 0.512 5.067 4.556 -0.001 0.000 0.345 481 H C -1.463 173.453 175.328 -0.688 0.000 1.136 481 H CA -0.740 55.138 56.048 -0.283 0.000 1.202 481 H CB 1.294 30.989 29.762 -0.111 0.000 1.524 481 H HN 0.631 nan 8.280 nan 0.000 0.506 482 W N 3.598 124.610 121.300 -0.480 0.000 2.900 482 W HA 0.472 5.132 4.660 -0.001 0.000 0.336 482 W C -0.832 175.367 176.519 -0.535 0.000 1.064 482 W CA -0.512 56.566 57.345 -0.444 0.000 1.237 482 W CB 1.168 30.359 29.460 -0.448 0.000 1.391 482 W HN 0.309 nan 8.180 nan 0.000 0.468 483 I N 3.241 123.746 120.570 -0.107 0.000 2.569 483 I HA 0.546 4.716 4.170 -0.000 0.000 0.296 483 I C -0.445 175.747 176.117 0.125 0.000 1.028 483 I CA -1.268 59.961 61.300 -0.117 0.000 1.082 483 I CB 1.324 39.230 38.000 -0.157 0.000 1.264 483 I HN 0.404 nan 8.210 nan 0.000 0.429 484 R N 7.439 128.003 120.500 0.106 0.000 2.343 484 R HA 0.583 4.923 4.340 -0.000 0.000 0.320 484 R C -1.170 175.169 176.300 0.065 0.000 0.956 484 R CA -0.697 55.441 56.100 0.063 0.000 0.836 484 R CB 1.862 32.195 30.300 0.055 0.000 1.151 484 R HN 0.539 nan 8.270 nan 0.000 0.450 485 I N 2.800 123.397 120.570 0.045 0.000 2.359 485 I HA 0.306 4.475 4.170 -0.000 0.000 0.294 485 I C -0.091 176.048 176.117 0.036 0.000 0.987 485 I CA -0.360 60.973 61.300 0.054 0.000 1.225 485 I CB 1.408 39.443 38.000 0.058 0.000 1.366 485 I HN 0.363 nan 8.210 nan 0.000 0.466 486 K N 4.530 124.954 120.400 0.040 0.000 2.513 486 K HA 0.481 4.801 4.320 -0.000 0.000 0.251 486 K C 0.221 176.840 176.600 0.033 0.000 0.939 486 K CA -0.407 55.898 56.287 0.029 0.000 0.793 486 K CB 1.827 34.342 32.500 0.025 0.000 1.241 486 K HN 0.776 nan 8.250 nan 0.000 0.431 487 G N 4.007 112.824 108.800 0.028 0.000 2.305 487 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.287 487 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.287 487 G C 0.092 175.014 174.900 0.037 0.000 1.036 487 G CA 0.947 46.064 45.100 0.028 0.000 0.887 487 G HN 0.902 nan 8.290 nan 0.000 0.505 488 K N -2.526 117.902 120.400 0.047 0.000 3.274 488 K HA -0.226 4.094 4.320 -0.000 0.000 0.305 488 K C 0.917 177.559 176.600 0.070 0.000 1.225 488 K CA 1.941 58.266 56.287 0.065 0.000 0.904 488 K CB -0.538 32.000 32.500 0.063 0.000 1.227 488 K HN 0.536 nan 8.250 nan 0.000 0.453 489 K N 0.343 120.778 120.400 0.058 0.000 2.306 489 K HA 0.454 4.774 4.320 -0.000 0.000 0.236 489 K C 0.320 176.958 176.600 0.064 0.000 1.013 489 K CA -0.887 55.433 56.287 0.055 0.000 0.857 489 K CB 0.951 33.474 32.500 0.039 0.000 1.214 489 K HN 0.001 nan 8.250 nan 0.000 0.449 490 I N 1.986 122.594 120.570 0.063 0.000 2.494 490 I HA -0.097 4.073 4.170 -0.000 0.000 0.289 490 I C 1.150 177.310 176.117 0.072 0.000 1.106 490 I CA 0.405 61.759 61.300 0.090 0.000 1.369 490 I CB 0.235 38.288 38.000 0.088 0.000 1.410 490 I HN 0.604 nan 8.210 nan 0.000 0.523 491 D N 4.774 125.222 120.400 0.080 0.000 2.262 491 D HA -0.016 4.624 4.640 -0.000 0.000 0.212 491 D C 0.267 176.614 176.300 0.079 0.000 0.964 491 D CA 0.855 54.893 54.000 0.064 0.000 0.875 491 D CB 0.443 41.273 40.800 0.050 0.000 0.996 491 D HN 0.496 nan 8.370 nan 0.000 0.497 492 N N -1.087 117.679 118.700 0.111 0.000 2.446 492 N HA 0.283 5.023 4.740 -0.000 0.000 0.272 492 N C -2.228 173.399 175.510 0.194 0.000 1.127 492 N CA -0.606 52.523 53.050 0.132 0.000 0.896 492 N CB 0.993 39.544 38.487 0.106 0.000 1.658 492 N HN -0.060 nan 8.380 nan 0.000 0.483 493 F N 2.158 122.137 119.950 0.049 0.000 2.617 493 F HA 0.472 4.998 4.527 -0.000 0.000 0.325 493 F C -1.180 174.636 175.800 0.028 0.000 1.179 493 F CA -0.364 57.663 58.000 0.045 0.000 0.965 493 F CB 1.380 40.373 39.000 -0.013 0.000 1.232 493 F HN 0.268 nan 8.300 nan 0.000 0.461 494 Q N 5.930 125.790 119.800 0.101 0.000 2.340 494 Q HA 0.504 4.843 4.340 -0.000 0.000 0.268 494 Q C -1.489 174.575 176.000 0.106 0.000 1.031 494 Q CA -0.973 54.896 55.803 0.111 0.000 0.804 494 Q CB 2.971 31.709 28.738 -0.001 0.000 1.286 494 Q HN 0.591 nan 8.270 nan 0.000 0.448 495 L N 1.805 123.036 121.223 0.014 0.000 2.309 495 L HA 0.534 4.874 4.340 -0.000 0.000 0.282 495 L C -0.352 176.510 176.870 -0.013 0.000 1.036 495 L CA -0.614 54.134 54.840 -0.153 0.000 0.806 495 L CB 1.721 43.360 42.059 -0.701 0.000 1.220 495 L HN 0.257 nan 8.230 nan 0.000 0.429 496 V N 4.053 124.079 119.914 0.187 0.000 2.409 496 V HA 0.552 4.671 4.120 -0.000 0.000 0.290 496 V C -0.285 176.008 176.094 0.332 0.000 1.017 496 V CA -0.645 61.780 62.300 0.207 0.000 0.841 496 V CB 1.778 33.731 31.823 0.218 0.000 1.003 496 V HN 0.454 nan 8.190 nan 0.000 0.426 497 V N 6.622 126.711 119.914 0.292 0.000 2.769 497 V HA 0.423 4.543 4.120 -0.000 0.000 0.312 497 V C -1.387 174.952 176.094 0.407 0.000 1.058 497 V CA -1.761 60.752 62.300 0.354 0.000 0.952 497 V CB 2.172 34.214 31.823 0.363 0.000 1.019 497 V HN 0.547 nan 8.190 nan 0.000 0.445 498 P HA -0.169 nan 4.420 nan 0.000 0.215 498 P C 1.696 179.200 177.300 0.339 0.000 1.163 498 P CA 1.704 65.012 63.100 0.346 0.000 0.894 498 P CB 0.145 31.964 31.700 0.199 0.000 0.791 499 S N -0.882 114.981 115.700 0.271 0.000 2.400 499 S HA -0.126 4.343 4.470 -0.000 0.000 0.232 499 S C 1.887 176.606 174.600 0.198 0.000 1.025 499 S CA 1.880 60.216 58.200 0.228 0.000 0.993 499 S CB -1.361 61.962 63.200 0.205 0.000 0.808 499 S HN 0.347 nan 8.310 nan 0.000 0.478 500 T N 0.596 115.270 114.554 0.200 0.000 2.720 500 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 500 T C 1.340 176.051 174.700 0.019 0.000 1.037 500 T CA 1.366 63.518 62.100 0.086 0.000 1.144 500 T CB -0.489 68.404 68.868 0.041 0.000 0.864 500 T HN 0.558 nan 8.240 nan 0.000 0.444 501 W N 1.844 123.189 121.300 0.076 0.000 2.355 501 W HA -0.050 4.609 4.660 -0.001 0.000 0.309 501 W C 2.514 179.045 176.519 0.019 0.000 1.206 501 W CA 0.558 57.925 57.345 0.036 0.000 1.284 501 W CB -0.376 29.101 29.460 0.029 0.000 1.145 501 W HN 0.173 nan 8.180 nan 0.000 0.502 502 N N -0.537 118.329 118.700 0.277 0.000 2.207 502 N HA -0.014 4.726 4.740 -0.000 0.000 0.182 502 N C 1.314 176.780 175.510 -0.074 0.000 1.020 502 N CA 1.151 54.278 53.050 0.127 0.000 0.858 502 N CB -0.423 38.197 38.487 0.222 0.000 0.991 502 N HN 0.137 nan 8.380 nan 0.000 0.427 503 L N -0.581 120.636 121.223 -0.011 0.000 2.966 503 L HA 0.379 4.719 4.340 -0.000 0.000 0.262 503 L C 1.116 177.988 176.870 0.003 0.000 1.165 503 L CA -0.297 54.516 54.840 -0.045 0.000 0.978 503 L CB 0.685 42.745 42.059 0.002 0.000 1.337 503 L HN -0.054 nan 8.230 nan 0.000 0.563 504 G N 0.814 109.615 108.800 0.002 0.000 2.684 504 G HA2 0.285 4.245 3.960 -0.000 0.000 0.255 504 G HA3 0.285 4.245 3.960 -0.000 0.000 0.255 504 G C -2.376 172.493 174.900 -0.051 0.000 1.219 504 G CA -0.520 44.567 45.100 -0.021 0.000 0.901 504 G HN -0.113 nan 8.290 nan 0.000 0.548 505 P HA 0.266 nan 4.420 nan 0.000 0.312 505 P C -0.187 177.050 177.300 -0.106 0.000 1.308 505 P CA -0.806 62.194 63.100 -0.166 0.000 0.743 505 P CB 0.891 32.224 31.700 -0.612 0.000 1.364 506 R N -0.939 119.494 120.500 -0.112 0.000 2.679 506 R HA 0.391 4.730 4.340 -0.000 0.000 0.268 506 R C 1.163 177.397 176.300 -0.110 0.000 1.044 506 R CA 0.455 56.418 56.100 -0.229 0.000 1.105 506 R CB -0.526 29.400 30.300 -0.623 0.000 0.989 506 R HN 0.573 nan 8.270 nan 0.000 0.447 507 G N 0.150 108.914 108.800 -0.059 0.000 2.563 507 G HA2 0.313 4.273 3.960 -0.000 0.000 0.283 507 G HA3 0.313 4.273 3.960 -0.000 0.000 0.283 507 G C 0.733 175.735 174.900 0.171 0.000 1.309 507 G CA -0.042 45.091 45.100 0.054 0.000 1.022 507 G HN 0.667 nan 8.290 nan 0.000 0.501 508 A N -1.201 121.728 122.820 0.181 0.000 2.032 508 A HA -0.109 4.210 4.320 -0.000 0.000 0.221 508 A C 2.121 179.815 177.584 0.183 0.000 1.165 508 A CA 1.880 54.029 52.037 0.187 0.000 0.645 508 A CB -0.362 18.714 19.000 0.126 0.000 0.807 508 A HN 0.648 nan 8.150 nan 0.000 0.453 509 Q N -1.708 118.171 119.800 0.131 0.000 2.403 509 Q HA 0.289 4.629 4.340 -0.000 0.000 0.203 509 Q C 1.008 177.046 176.000 0.064 0.000 0.932 509 Q CA 0.303 56.161 55.803 0.091 0.000 0.945 509 Q CB 0.131 28.907 28.738 0.064 0.000 1.045 509 Q HN 0.871 nan 8.270 nan 0.000 0.511 510 G N 2.576 111.403 108.800 0.045 0.000 2.147 510 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 510 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 510 G C -0.478 174.289 174.900 -0.221 0.000 1.005 510 G CA 0.324 45.316 45.100 -0.179 0.000 0.713 510 G HN 0.519 nan 8.290 nan 0.000 0.515 511 D N 0.393 120.707 120.400 -0.143 0.000 2.249 511 D HA 0.393 5.033 4.640 -0.000 0.000 0.246 511 D C 0.381 176.593 176.300 -0.146 0.000 1.114 511 D CA -0.531 53.399 54.000 -0.117 0.000 0.854 511 D CB 1.241 42.011 40.800 -0.050 0.000 1.132 511 D HN 0.248 nan 8.370 nan 0.000 0.461 512 K N 1.124 121.427 120.400 -0.161 0.000 2.485 512 K HA 0.063 4.383 4.320 -0.000 0.000 0.277 512 K C 0.878 177.414 176.600 -0.106 0.000 0.990 512 K CA -0.087 56.100 56.287 -0.167 0.000 0.994 512 K CB 0.512 32.898 32.500 -0.190 0.000 0.906 512 K HN 0.658 nan 8.250 nan 0.000 0.488 513 S N 2.752 118.394 115.700 -0.096 0.000 2.608 513 S HA 0.118 4.587 4.470 -0.000 0.000 0.261 513 S C -1.813 172.744 174.600 -0.072 0.000 1.314 513 S CA -1.236 56.925 58.200 -0.065 0.000 0.992 513 S CB 0.870 64.033 63.200 -0.063 0.000 0.935 513 S HN 0.329 nan 8.310 nan 0.000 0.564 514 P HA -0.122 nan 4.420 nan 0.000 0.214 514 P C 1.724 178.932 177.300 -0.153 0.000 1.163 514 P CA 0.813 63.904 63.100 -0.015 0.000 0.889 514 P CB -0.174 31.589 31.700 0.105 0.000 0.790 515 V N -0.069 119.547 119.914 -0.497 0.000 2.407 515 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 515 V C 2.080 178.053 176.094 -0.201 0.000 1.055 515 V CA 2.006 63.934 62.300 -0.621 0.000 1.049 515 V CB -0.929 30.472 31.823 -0.703 0.000 0.662 515 V HN 0.100 nan 8.190 nan 0.000 0.455 516 E N -0.487 119.619 120.200 -0.157 0.000 2.106 516 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 516 E C 2.196 178.727 176.600 -0.115 0.000 0.984 516 E CA 1.458 57.776 56.400 -0.136 0.000 0.806 516 E CB -0.115 29.480 29.700 -0.175 0.000 0.750 516 E HN 0.748 nan 8.360 nan 0.000 0.458 517 E N 0.700 120.851 120.200 -0.082 0.000 2.047 517 E HA -0.173 4.176 4.350 -0.000 0.000 0.191 517 E C 2.091 178.704 176.600 0.022 0.000 0.987 517 E CA 0.870 57.244 56.400 -0.043 0.000 0.799 517 E CB -0.069 29.614 29.700 -0.027 0.000 0.752 517 E HN 0.196 nan 8.360 nan 0.000 0.449 518 A N 1.309 124.185 122.820 0.093 0.000 1.948 518 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 518 A C 2.200 179.874 177.584 0.150 0.000 1.177 518 A CA 1.171 53.328 52.037 0.199 0.000 0.636 518 A CB -0.660 18.600 19.000 0.434 0.000 0.815 518 A HN 0.362 nan 8.150 nan 0.000 0.449 519 L N 0.067 121.343 121.223 0.088 0.000 2.291 519 L HA -0.014 4.325 4.340 -0.000 0.000 0.214 519 L C 0.112 177.005 176.870 0.037 0.000 1.120 519 L CA -0.156 54.730 54.840 0.075 0.000 0.799 519 L CB -0.278 41.806 42.059 0.043 0.000 0.925 519 L HN 0.271 nan 8.230 nan 0.000 0.446 520 I N 0.735 121.306 120.570 0.001 0.000 2.618 520 I HA 0.058 4.227 4.170 -0.000 0.000 0.284 520 I C 1.453 177.569 176.117 -0.002 0.000 1.146 520 I CA 1.010 62.298 61.300 -0.019 0.000 1.425 520 I CB -0.173 37.797 38.000 -0.049 0.000 1.383 520 I HN 0.348 nan 8.210 nan 0.000 0.562 521 G N 4.513 113.310 108.800 -0.005 0.000 2.175 521 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.244 521 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.244 521 G C 0.474 175.359 174.900 -0.025 0.000 0.982 521 G CA 0.058 45.150 45.100 -0.013 0.000 0.641 521 G HN 0.584 nan 8.290 nan 0.000 0.527 522 T N 4.427 118.981 114.554 0.001 0.000 2.829 522 T HA 0.436 4.786 4.350 -0.000 0.000 0.293 522 T C -1.772 172.939 174.700 0.018 0.000 0.970 522 T CA 0.211 62.312 62.100 0.002 0.000 1.168 522 T CB 1.573 70.495 68.868 0.089 0.000 0.911 522 T HN 0.331 nan 8.240 nan 0.000 0.535 523 P HA 0.338 nan 4.420 nan 0.000 0.278 523 P C -0.812 176.555 177.300 0.111 0.000 1.238 523 P CA -0.496 62.630 63.100 0.044 0.000 0.794 523 P CB 0.783 32.494 31.700 0.019 0.000 0.955 524 I N 2.242 122.884 120.570 0.119 0.000 2.448 524 I HA 0.198 4.368 4.170 -0.000 0.000 0.281 524 I C 1.294 177.480 176.117 0.114 0.000 1.027 524 I CA -0.794 60.580 61.300 0.123 0.000 1.111 524 I CB 0.921 38.984 38.000 0.106 0.000 1.236 524 I HN 0.372 nan 8.210 nan 0.000 0.452 525 A N 4.425 127.331 122.820 0.143 0.000 1.968 525 A HA -0.037 4.282 4.320 -0.000 0.000 0.217 525 A C 0.619 178.212 177.584 0.016 0.000 1.169 525 A CA 1.254 53.362 52.037 0.117 0.000 0.638 525 A CB -0.023 19.096 19.000 0.198 0.000 0.812 525 A HN 0.676 nan 8.150 nan 0.000 0.446 526 D N -2.488 117.898 120.400 -0.023 0.000 2.478 526 D HA 0.335 4.975 4.640 -0.000 0.000 0.240 526 D C -2.564 173.631 176.300 -0.174 0.000 1.364 526 D CA -1.714 52.206 54.000 -0.134 0.000 0.987 526 D CB 1.538 42.181 40.800 -0.262 0.000 1.328 526 D HN -0.134 nan 8.370 nan 0.000 0.584 527 P HA -0.078 nan 4.420 nan 0.000 0.222 527 P C 0.942 178.038 177.300 -0.339 0.000 1.147 527 P CA 0.900 63.733 63.100 -0.444 0.000 0.790 527 P CB 0.355 31.441 31.700 -1.023 0.000 0.780 528 K N -0.600 119.634 120.400 -0.277 0.000 2.296 528 K HA 0.046 4.365 4.320 -0.000 0.000 0.200 528 K C 0.841 177.262 176.600 -0.299 0.000 1.048 528 K CA 0.685 56.843 56.287 -0.214 0.000 0.966 528 K CB 0.148 32.559 32.500 -0.149 0.000 0.754 528 K HN 0.207 nan 8.250 nan 0.000 0.466 529 R N 1.415 121.666 120.500 -0.415 0.000 2.738 529 R HA 0.141 4.481 4.340 -0.000 0.000 0.280 529 R C -2.529 173.334 176.300 -0.728 0.000 1.456 529 R CA -1.181 54.351 56.100 -0.947 0.000 1.612 529 R CB 0.901 30.917 30.300 -0.474 0.000 1.286 529 R HN -0.048 nan 8.270 nan 0.000 0.660 530 P HA -0.030 nan 4.420 nan 0.000 0.235 530 P C 0.979 178.281 177.300 0.003 0.000 1.765 530 P CA 0.199 63.224 63.100 -0.125 0.000 1.034 530 P CB 0.652 32.322 31.700 -0.051 0.000 1.984 531 V N 2.405 122.320 119.914 0.001 0.000 2.594 531 V HA -0.254 3.866 4.120 -0.000 0.000 0.253 531 V C 1.921 177.957 176.094 -0.096 0.000 1.069 531 V CA 2.057 64.394 62.300 0.060 0.000 1.082 531 V CB -0.648 31.146 31.823 -0.049 0.000 0.680 531 V HN 0.185 nan 8.190 nan 0.000 0.469 532 E N 0.299 120.503 120.200 0.007 0.000 2.153 532 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 532 E C 1.950 178.668 176.600 0.196 0.000 0.988 532 E CA 1.818 58.327 56.400 0.181 0.000 0.811 532 E CB -0.309 29.639 29.700 0.413 0.000 0.746 532 E HN 0.673 nan 8.360 nan 0.000 0.466 533 I N 0.408 121.050 120.570 0.119 0.000 2.226 533 I HA -0.267 3.902 4.170 -0.000 0.000 0.245 533 I C 2.079 178.205 176.117 0.014 0.000 1.100 533 I CA 0.973 62.331 61.300 0.097 0.000 1.374 533 I CB -0.232 37.818 38.000 0.083 0.000 1.057 533 I HN 0.116 nan 8.210 nan 0.000 0.413 534 L N 0.103 121.289 121.223 -0.062 0.000 2.046 534 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 534 L C 2.775 179.511 176.870 -0.223 0.000 1.077 534 L CA 1.445 56.131 54.840 -0.257 0.000 0.747 534 L CB -0.691 41.260 42.059 -0.179 0.000 0.896 534 L HN 0.181 nan 8.230 nan 0.000 0.432 535 R N -0.604 119.751 120.500 -0.240 0.000 2.083 535 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 535 R C 2.333 178.694 176.300 0.102 0.000 1.137 535 R CA 2.055 57.958 56.100 -0.328 0.000 0.951 535 R CB -0.626 28.959 30.300 -1.192 0.000 0.851 535 R HN 0.317 nan 8.270 nan 0.000 0.434 536 T N 0.395 115.064 114.554 0.192 0.000 2.812 536 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 536 T C 1.955 176.886 174.700 0.384 0.000 1.042 536 T CA 1.059 63.383 62.100 0.374 0.000 1.140 536 T CB -0.040 69.085 68.868 0.428 0.000 0.870 536 T HN -0.020 nan 8.240 nan 0.000 0.445 537 V N 1.132 121.173 119.914 0.211 0.000 2.261 537 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 537 V C 2.154 178.384 176.094 0.227 0.000 1.047 537 V CA 1.828 64.229 62.300 0.169 0.000 1.015 537 V CB -0.725 31.091 31.823 -0.011 0.000 0.642 537 V HN 0.646 nan 8.190 nan 0.000 0.446 538 H N -0.130 119.010 119.070 0.116 0.000 2.422 538 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 538 H C 2.273 177.536 175.328 -0.107 0.000 1.098 538 H CA 1.046 57.087 56.048 -0.012 0.000 1.315 538 H CB -0.131 29.523 29.762 -0.179 0.000 1.382 538 H HN 0.477 nan 8.280 nan 0.000 0.523 539 A N 0.616 123.492 122.820 0.094 0.000 2.024 539 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 539 A C 1.647 179.264 177.584 0.055 0.000 1.164 539 A CA 1.262 53.388 52.037 0.148 0.000 0.643 539 A CB -0.730 18.432 19.000 0.269 0.000 0.806 539 A HN 0.358 nan 8.150 nan 0.000 0.451 540 F N -0.598 119.419 119.950 0.111 0.000 2.811 540 F HA 0.087 4.614 4.527 -0.001 0.000 0.301 540 F C 0.725 176.547 175.800 0.037 0.000 1.151 540 F CA 0.627 58.680 58.000 0.089 0.000 1.412 540 F CB 0.062 39.129 39.000 0.111 0.000 1.113 540 F HN 0.272 nan 8.300 nan 0.000 0.579 541 D N 0.266 120.752 120.400 0.144 0.000 2.737 541 D HA -0.150 4.489 4.640 -0.000 0.000 0.238 541 D C -2.391 174.002 176.300 0.156 0.000 1.157 541 D CA -0.144 53.847 54.000 -0.015 0.000 0.694 541 D CB -0.346 40.252 40.800 -0.336 0.000 1.021 541 D HN 0.120 nan 8.370 nan 0.000 0.420 545 A N 0.842 123.729 122.820 0.113 0.000 1.883 545 A HA -0.232 4.087 4.320 -0.000 0.000 0.217 545 A C 2.471 180.139 177.584 0.139 0.000 1.186 545 A CA 2.534 54.630 52.037 0.099 0.000 0.624 545 A CB -1.107 17.941 19.000 0.081 0.000 0.822 545 A HN 0.515 nan 8.150 nan 0.000 0.444 546 C N -1.206 118.209 119.300 0.192 0.000 2.388 546 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 546 C C 3.056 178.271 174.990 0.375 0.000 1.210 546 C CA 1.155 60.345 59.018 0.287 0.000 1.743 546 C CB -1.607 26.329 27.740 0.326 0.000 2.047 546 C HN 0.709 nan 8.230 nan 0.000 0.458 547 G N -0.808 108.165 108.800 0.288 0.000 2.432 547 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 547 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 547 G C 1.528 176.547 174.900 0.199 0.000 1.135 547 G CA 1.473 46.736 45.100 0.271 0.000 0.767 547 G HN 0.463 nan 8.290 nan 0.000 0.550 548 V N 1.279 121.254 119.914 0.101 0.000 2.672 548 V HA 0.114 4.233 4.120 -0.000 0.000 0.242 548 V C 1.205 176.912 176.094 -0.646 0.000 1.059 548 V CA 0.654 62.893 62.300 -0.102 0.000 1.081 548 V CB -0.752 31.136 31.823 0.108 0.000 0.752 548 V HN 0.750 nan 8.190 nan 0.000 0.472 549 H N 0.000 119.064 119.070 -0.010 0.000 2.539 549 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 549 H CA 0.000 55.971 56.048 -0.128 0.000 1.023 549 H CB 0.000 29.695 29.762 -0.111 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496