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 2isa_1_G DATA FIRST_RESID 3 DATA SEQUENCE SKKLTTAAGC PVAHNQNVQT AGKRGPQLLQ DVWFLEKLAH FDREVIPERR DATA SEQUENCE XHAKGSGAYG TFTVTHDITK YTKAKIFSDI GKKTDMFARF STVAGERGAA DATA SEQUENCE DAERDIRGFS LKFYTEEGNW DLAGNNTPVF FLRDPLKFPD LNHAVKRDPR DATA SEQUENCE TNMRSAKNNW DFWTSLPEAL HQVTIVMSDR GIPATYRHMH GFGSHTFSFI DATA SEQUENCE NSDNERYWVK FHFVSQQGIK NLSDAEAGEL VGNDRESHQR DLLDSIDNQD DATA SEQUENCE FPKWTLKVQI MPEADAATVP YNPFDLTKVW PHKDYPLIEV GEFELNRNPQ DATA SEQUENCE NYFAEVEQAA FNPANVVPGI SFSPDKMLQG RLFAYGDAQR YRLGVNHQHI DATA SEQUENCE PVNAPRCPVH SYHRDGAMRV DGNFGSTLGY EPNDQGQWAE QPDFSEPPLN DATA SEQUENCE LDGAAAHWDH REDEDYFSQP GDLFGLMTAE KQAILFDNTA RNLNGVPKEI DATA SEQUENCE QLRHVTHCYK ADPAYGEGIG KLLGFDISEY NS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.588 174.600 -0.020 0.000 1.055 3 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 3 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 4 K N 0.984 121.371 120.400 -0.023 0.000 2.374 4 K HA 0.246 4.566 4.320 -0.000 0.000 0.202 4 K C -0.156 176.423 176.600 -0.034 0.000 1.040 4 K CA -0.071 56.203 56.287 -0.021 0.000 1.085 4 K CB 0.588 33.078 32.500 -0.015 0.000 0.873 4 K HN 0.085 nan 8.250 nan 0.000 0.539 5 K N 1.745 122.118 120.400 -0.046 0.000 2.368 5 K HA 0.087 4.407 4.320 -0.000 0.000 0.282 5 K C -0.422 176.124 176.600 -0.089 0.000 1.035 5 K CA -0.372 55.874 56.287 -0.069 0.000 0.973 5 K CB 0.567 33.026 32.500 -0.069 0.000 0.957 5 K HN -0.079 nan 8.250 nan 0.000 0.474 6 L N 3.510 124.657 121.223 -0.126 0.000 2.367 6 L HA 0.214 4.554 4.340 -0.000 0.000 0.275 6 L C 0.008 176.726 176.870 -0.254 0.000 1.129 6 L CA 0.692 55.424 54.840 -0.181 0.000 0.839 6 L CB 0.797 42.720 42.059 -0.227 0.000 1.133 6 L HN 0.831 nan 8.230 nan 0.000 0.453 7 T N 0.495 114.905 114.554 -0.239 0.000 2.907 7 T HA 0.697 5.046 4.350 -0.000 0.000 0.290 7 T C 0.165 174.704 174.700 -0.269 0.000 1.066 7 T CA -0.104 61.850 62.100 -0.243 0.000 1.012 7 T CB 1.187 69.982 68.868 -0.122 0.000 1.184 7 T HN 0.818 nan 8.240 nan 0.000 0.522 8 T N -1.058 113.395 114.554 -0.170 0.000 2.754 8 T HA 0.545 4.895 4.350 -0.000 0.000 0.286 8 T C 1.836 176.569 174.700 0.054 0.000 0.997 8 T CA -0.249 61.881 62.100 0.050 0.000 0.982 8 T CB 0.209 69.148 68.868 0.119 0.000 1.027 8 T HN 1.046 nan 8.240 nan 0.000 0.529 9 A N 0.412 123.281 122.820 0.082 0.000 2.070 9 A HA 0.239 4.559 4.320 -0.000 0.000 0.220 9 A C 2.413 180.021 177.584 0.041 0.000 1.159 9 A CA 1.433 53.493 52.037 0.038 0.000 0.656 9 A CB -1.334 17.683 19.000 0.028 0.000 0.800 9 A HN 1.228 nan 8.150 nan 0.000 0.453 10 A N -1.973 120.875 122.820 0.045 0.000 2.251 10 A HA 0.421 4.741 4.320 -0.000 0.000 0.209 10 A C 1.745 179.336 177.584 0.011 0.000 1.187 10 A CA 1.147 53.203 52.037 0.032 0.000 0.823 10 A CB -0.769 18.255 19.000 0.039 0.000 0.846 10 A HN 1.815 nan 8.150 nan 0.000 0.486 11 G N -1.809 106.990 108.800 -0.002 0.000 2.157 11 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.239 11 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.239 11 G C 0.377 175.253 174.900 -0.039 0.000 0.982 11 G CA 0.141 45.228 45.100 -0.022 0.000 0.650 11 G HN 1.059 nan 8.290 nan 0.000 0.527 12 C N 2.347 121.624 119.300 -0.039 0.000 2.585 12 C HA 0.603 5.063 4.460 -0.000 0.000 0.406 12 C C -1.343 173.582 174.990 -0.108 0.000 1.312 12 C CA -1.758 57.228 59.018 -0.053 0.000 1.924 12 C CB 0.126 27.850 27.740 -0.027 0.000 2.578 12 C HN 0.369 nan 8.230 nan 0.000 0.580 13 P HA 0.080 nan 4.420 nan 0.000 0.264 13 P C -0.874 176.292 177.300 -0.223 0.000 1.183 13 P CA 0.309 63.313 63.100 -0.159 0.000 0.763 13 P CB 0.283 31.910 31.700 -0.122 0.000 0.807 14 V N 3.359 123.068 119.914 -0.342 0.000 2.383 14 V HA 0.301 4.421 4.120 -0.000 0.000 0.275 14 V C 1.272 177.153 176.094 -0.355 0.000 1.036 14 V CA 0.211 62.230 62.300 -0.469 0.000 0.889 14 V CB 0.595 31.840 31.823 -0.964 0.000 0.985 14 V HN 0.664 nan 8.190 nan 0.000 0.459 15 A N 3.728 126.367 122.820 -0.302 0.000 1.975 15 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 15 A C 0.845 178.074 177.584 -0.590 0.000 1.170 15 A CA 0.778 52.559 52.037 -0.427 0.000 0.656 15 A CB 0.030 18.758 19.000 -0.455 0.000 0.821 15 A HN 0.806 nan 8.150 nan 0.000 0.449 16 H N -0.811 118.217 119.070 -0.069 0.000 2.860 16 H HA 0.283 4.839 4.556 -0.000 0.000 0.312 16 H C -0.771 174.604 175.328 0.078 0.000 0.995 16 H CA -0.354 55.700 56.048 0.010 0.000 1.311 16 H CB 1.089 30.881 29.762 0.051 0.000 1.478 16 H HN 0.396 nan 8.280 nan 0.000 0.508 17 N N 1.233 120.029 118.700 0.160 0.000 2.170 17 N HA -0.026 4.714 4.740 -0.000 0.000 0.222 17 N C 0.687 176.317 175.510 0.200 0.000 1.218 17 N CA 0.116 53.318 53.050 0.252 0.000 0.889 17 N CB 0.742 39.327 38.487 0.163 0.000 1.083 17 N HN 0.376 nan 8.380 nan 0.000 0.520 18 Q N -0.823 119.073 119.800 0.160 0.000 2.431 18 Q HA 0.329 4.669 4.340 -0.000 0.000 0.244 18 Q C -0.513 175.545 176.000 0.096 0.000 0.880 18 Q CA 0.498 56.367 55.803 0.110 0.000 0.954 18 Q CB 0.576 29.362 28.738 0.080 0.000 1.105 18 Q HN 0.225 nan 8.270 nan 0.000 0.558 19 N N 1.135 119.900 118.700 0.109 0.000 2.352 19 N HA 0.277 5.017 4.740 -0.000 0.000 0.291 19 N C -0.318 175.215 175.510 0.040 0.000 1.040 19 N CA -0.217 52.864 53.050 0.051 0.000 0.864 19 N CB 3.302 41.801 38.487 0.021 0.000 1.440 19 N HN -0.083 nan 8.380 nan 0.000 0.483 20 V N -0.106 119.805 119.914 -0.006 0.000 3.051 20 V HA 0.237 4.356 4.120 -0.000 0.000 0.306 20 V C 0.630 176.673 176.094 -0.085 0.000 1.083 20 V CA -0.564 61.706 62.300 -0.049 0.000 1.104 20 V CB 0.811 32.519 31.823 -0.191 0.000 1.027 20 V HN 0.624 nan 8.190 nan 0.000 0.483 21 Q N 1.818 121.567 119.800 -0.085 0.000 2.293 21 Q HA 0.456 4.796 4.340 -0.000 0.000 0.263 21 Q C 0.042 175.985 176.000 -0.094 0.000 1.002 21 Q CA 0.039 55.786 55.803 -0.093 0.000 0.910 21 Q CB 0.910 29.610 28.738 -0.063 0.000 1.185 21 Q HN 1.133 nan 8.270 nan 0.000 0.401 22 T N -0.697 113.806 114.554 -0.084 0.000 2.907 22 T HA 0.694 5.043 4.350 -0.000 0.000 0.290 22 T C -0.480 174.187 174.700 -0.055 0.000 1.066 22 T CA -0.885 61.171 62.100 -0.073 0.000 1.012 22 T CB 1.631 70.456 68.868 -0.072 0.000 1.184 22 T HN 0.504 nan 8.240 nan 0.000 0.522 23 A N 1.122 123.914 122.820 -0.046 0.000 2.922 23 A HA 0.691 5.011 4.320 -0.000 0.000 0.298 23 A C 1.175 178.740 177.584 -0.032 0.000 1.588 23 A CA 0.184 52.200 52.037 -0.035 0.000 1.288 23 A CB -1.638 17.345 19.000 -0.029 0.000 1.130 23 A HN 2.170 nan 8.150 nan 0.000 0.557 24 G N 1.199 109.979 108.800 -0.032 0.000 2.730 24 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 24 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 24 G C 0.501 175.382 174.900 -0.031 0.000 1.343 24 G CA -0.071 45.012 45.100 -0.028 0.000 0.826 24 G HN 0.611 nan 8.290 nan 0.000 0.582 25 K N -0.167 120.217 120.400 -0.027 0.000 2.127 25 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 25 K C 1.876 178.459 176.600 -0.028 0.000 1.047 25 K CA 1.728 57.999 56.287 -0.026 0.000 0.927 25 K CB -0.087 32.401 32.500 -0.020 0.000 0.716 25 K HN 0.331 nan 8.250 nan 0.000 0.450 26 R N 0.103 120.588 120.500 -0.026 0.000 2.662 26 R HA 0.187 4.527 4.340 -0.000 0.000 0.396 26 R C 0.244 176.527 176.300 -0.028 0.000 1.096 26 R CA -0.044 56.041 56.100 -0.025 0.000 1.081 26 R CB 1.180 31.468 30.300 -0.020 0.000 1.382 26 R HN 0.097 nan 8.270 nan 0.000 0.580 27 G N 1.563 110.344 108.800 -0.033 0.000 2.488 27 G HA2 0.531 4.491 3.960 -0.000 0.000 0.318 27 G HA3 0.531 4.491 3.960 -0.000 0.000 0.318 27 G C -2.545 172.328 174.900 -0.044 0.000 1.188 27 G CA -1.060 44.019 45.100 -0.034 0.000 0.944 27 G HN -0.121 nan 8.290 nan 0.000 0.495 28 P HA 0.135 nan 4.420 nan 0.000 0.272 28 P C -0.284 176.974 177.300 -0.070 0.000 1.240 28 P CA -0.376 62.691 63.100 -0.054 0.000 0.791 28 P CB 0.526 32.201 31.700 -0.042 0.000 0.978 29 Q N 0.657 120.399 119.800 -0.097 0.000 2.327 29 Q HA 0.266 4.606 4.340 -0.000 0.000 0.254 29 Q C -0.914 175.028 176.000 -0.096 0.000 0.952 29 Q CA -0.298 55.427 55.803 -0.131 0.000 0.884 29 Q CB 0.184 28.787 28.738 -0.224 0.000 1.224 29 Q HN 0.340 nan 8.270 nan 0.000 0.422 30 L N 4.256 125.429 121.223 -0.084 0.000 2.312 30 L HA 0.122 4.462 4.340 -0.000 0.000 0.281 30 L C 1.003 177.857 176.870 -0.026 0.000 1.070 30 L CA -0.541 54.273 54.840 -0.044 0.000 0.805 30 L CB 0.901 42.942 42.059 -0.031 0.000 1.174 30 L HN 0.780 nan 8.230 nan 0.000 0.434 31 L N 2.784 124.007 121.223 -0.000 0.000 2.127 31 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 31 L C 2.370 179.273 176.870 0.056 0.000 1.089 31 L CA 1.782 56.642 54.840 0.032 0.000 0.757 31 L CB -0.556 41.522 42.059 0.032 0.000 0.899 31 L HN 0.840 nan 8.230 nan 0.000 0.434 32 Q N -1.296 118.529 119.800 0.042 0.000 2.515 32 Q HA -0.123 4.217 4.340 -0.000 0.000 0.212 32 Q C 0.137 176.184 176.000 0.078 0.000 0.970 32 Q CA 0.441 56.277 55.803 0.055 0.000 0.941 32 Q CB -0.638 28.123 28.738 0.039 0.000 0.998 32 Q HN 0.379 nan 8.270 nan 0.000 0.518 33 D N 1.902 122.353 120.400 0.084 0.000 2.455 33 D HA 0.002 4.642 4.640 -0.000 0.000 0.234 33 D C 1.156 177.582 176.300 0.209 0.000 1.224 33 D CA -0.101 53.982 54.000 0.138 0.000 0.999 33 D CB 1.199 42.060 40.800 0.101 0.000 1.072 33 D HN 0.239 nan 8.370 nan 0.000 0.514 34 V N 2.523 122.553 119.914 0.194 0.000 2.719 34 V HA -0.019 4.101 4.120 -0.000 0.000 0.252 34 V C 2.101 178.326 176.094 0.217 0.000 1.065 34 V CA 0.368 62.776 62.300 0.180 0.000 1.086 34 V CB -0.813 31.096 31.823 0.143 0.000 0.700 34 V HN 0.589 nan 8.190 nan 0.000 0.467 35 W N 0.692 122.048 121.300 0.093 0.000 2.388 35 W HA -0.216 4.443 4.660 -0.000 0.000 0.294 35 W C 2.249 178.812 176.519 0.073 0.000 1.212 35 W CA 1.581 58.966 57.345 0.066 0.000 1.271 35 W CB -0.346 29.155 29.460 0.067 0.000 1.126 35 W HN 0.400 nan 8.180 nan 0.000 0.535 36 F N 1.872 121.747 119.950 -0.125 0.000 2.095 36 F HA -0.276 4.250 4.527 -0.000 0.000 0.298 36 F C 2.268 177.935 175.800 -0.222 0.000 1.104 36 F CA 2.584 60.445 58.000 -0.231 0.000 1.232 36 F CB -0.921 38.033 39.000 -0.077 0.000 0.987 36 F HN -0.221 nan 8.300 nan 0.000 0.475 37 L N 0.189 121.315 121.223 -0.162 0.000 2.017 37 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 37 L C 2.594 179.303 176.870 -0.268 0.000 1.073 37 L CA 2.051 56.764 54.840 -0.212 0.000 0.745 37 L CB -1.044 41.032 42.059 0.028 0.000 0.894 37 L HN 0.294 nan 8.230 nan 0.000 0.432 38 E N 0.773 120.853 120.200 -0.201 0.000 2.038 38 E HA -0.298 4.052 4.350 -0.000 0.000 0.195 38 E C 2.275 178.686 176.600 -0.315 0.000 1.000 38 E CA 1.553 57.864 56.400 -0.148 0.000 0.803 38 E CB 0.013 29.677 29.700 -0.060 0.000 0.750 38 E HN 0.276 nan 8.360 nan 0.000 0.448 39 K N 0.006 119.946 120.400 -0.766 0.000 2.032 39 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 39 K C 2.202 178.537 176.600 -0.442 0.000 1.048 39 K CA 1.261 57.050 56.287 -0.830 0.000 0.927 39 K CB -0.035 31.711 32.500 -1.257 0.000 0.712 39 K HN 0.188 nan 8.250 nan 0.000 0.441 40 L N 0.407 121.301 121.223 -0.548 0.000 2.109 40 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 40 L C 2.509 179.306 176.870 -0.121 0.000 1.086 40 L CA 1.716 56.337 54.840 -0.365 0.000 0.760 40 L CB -1.305 40.329 42.059 -0.707 0.000 0.910 40 L HN 0.274 nan 8.230 nan 0.000 0.437 41 A N -1.434 121.295 122.820 -0.152 0.000 1.969 41 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 41 A C 2.096 179.637 177.584 -0.072 0.000 1.169 41 A CA 1.009 52.994 52.037 -0.087 0.000 0.635 41 A CB -0.651 18.299 19.000 -0.084 0.000 0.810 41 A HN 0.466 nan 8.150 nan 0.000 0.445 42 H N -2.394 116.607 119.070 -0.114 0.000 2.363 42 H HA -0.106 4.450 4.556 -0.000 0.000 0.301 42 H C 2.002 177.290 175.328 -0.066 0.000 1.074 42 H CA 1.668 57.664 56.048 -0.087 0.000 1.354 42 H CB -0.305 29.408 29.762 -0.081 0.000 1.397 42 H HN 0.605 nan 8.280 nan 0.000 0.516 43 F N 2.667 122.580 119.950 -0.062 0.000 2.091 43 F HA -0.225 4.301 4.527 -0.000 0.000 0.299 43 F C 1.689 177.428 175.800 -0.101 0.000 1.103 43 F CA 1.540 59.480 58.000 -0.099 0.000 1.228 43 F CB -0.246 38.675 39.000 -0.132 0.000 0.984 43 F HN -0.011 nan 8.300 nan 0.000 0.477 44 D N 0.039 120.324 120.400 -0.191 0.000 2.350 44 D HA -0.086 4.554 4.640 -0.000 0.000 0.216 44 D C 1.552 177.692 176.300 -0.266 0.000 0.968 44 D CA 0.926 54.764 54.000 -0.271 0.000 0.894 44 D CB -0.234 40.504 40.800 -0.102 0.000 0.909 44 D HN 0.421 nan 8.370 nan 0.000 0.520 45 R N -0.085 120.271 120.500 -0.240 0.000 2.596 45 R HA 0.187 4.526 4.340 -0.000 0.000 0.369 45 R C 1.136 177.309 176.300 -0.211 0.000 1.042 45 R CA -0.095 55.884 56.100 -0.201 0.000 1.120 45 R CB 0.638 30.826 30.300 -0.186 0.000 1.353 45 R HN 0.115 nan 8.270 nan 0.000 0.564 46 E N 0.427 120.463 120.200 -0.274 0.000 2.152 46 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 46 E C 0.201 176.623 176.600 -0.296 0.000 0.983 46 E CA 0.745 56.959 56.400 -0.310 0.000 0.818 46 E CB 0.389 29.892 29.700 -0.329 0.000 0.758 46 E HN -0.013 nan 8.360 nan 0.000 0.467 47 V N 3.378 123.168 119.914 -0.207 0.000 2.498 47 V HA 0.169 4.289 4.120 -0.000 0.000 0.279 47 V C 0.389 176.460 176.094 -0.038 0.000 1.048 47 V CA -0.282 61.958 62.300 -0.101 0.000 0.967 47 V CB 0.684 32.449 31.823 -0.097 0.000 0.988 47 V HN 0.128 nan 8.190 nan 0.000 0.473 48 I N 2.903 123.510 120.570 0.061 0.000 2.982 48 I HA 0.734 4.903 4.170 -0.000 0.000 0.312 48 I C -2.497 173.624 176.117 0.007 0.000 1.041 48 I CA -2.806 58.511 61.300 0.029 0.000 1.053 48 I CB 1.630 39.676 38.000 0.078 0.000 1.248 48 I HN 0.354 nan 8.210 nan 0.000 0.471 49 P HA 0.071 nan 4.420 nan 0.000 0.265 49 P C -0.863 176.444 177.300 0.012 0.000 1.193 49 P CA -0.065 63.024 63.100 -0.019 0.000 0.765 49 P CB 0.396 32.063 31.700 -0.055 0.000 0.823 50 E N 2.832 123.058 120.200 0.042 0.000 2.409 50 E HA 0.106 4.456 4.350 -0.000 0.000 0.257 50 E C -0.449 176.180 176.600 0.048 0.000 1.150 50 E CA -0.694 55.738 56.400 0.053 0.000 0.942 50 E CB 0.525 30.265 29.700 0.067 0.000 0.979 50 E HN 0.260 nan 8.360 nan 0.000 0.447 51 R N 0.986 121.515 120.500 0.048 0.000 2.570 51 R HA 0.030 4.370 4.340 -0.000 0.000 0.277 51 R C 0.467 176.807 176.300 0.066 0.000 1.039 51 R CA -0.238 55.890 56.100 0.046 0.000 1.065 51 R CB 0.352 30.690 30.300 0.062 0.000 0.964 51 R HN 0.447 nan 8.270 nan 0.000 0.428 55 A N 0.855 123.764 122.820 0.148 0.000 1.969 55 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 55 A C 1.421 179.088 177.584 0.137 0.000 1.169 55 A CA 1.204 53.315 52.037 0.123 0.000 0.635 55 A CB 0.014 19.070 19.000 0.093 0.000 0.810 55 A HN 0.125 nan 8.150 nan 0.000 0.445 56 K N 0.106 120.588 120.400 0.137 0.000 2.253 56 K HA 0.522 4.842 4.320 -0.000 0.000 0.277 56 K C -0.049 176.668 176.600 0.196 0.000 1.053 56 K CA 0.631 57.011 56.287 0.156 0.000 0.892 56 K CB 0.647 33.219 32.500 0.120 0.000 1.102 56 K HN 0.313 nan 8.250 nan 0.000 0.469 57 G N 0.863 109.807 108.800 0.241 0.000 2.600 57 G HA2 0.546 4.506 3.960 -0.000 0.000 0.293 57 G HA3 0.546 4.506 3.960 -0.000 0.000 0.293 57 G C -1.490 173.600 174.900 0.315 0.000 1.408 57 G CA -0.741 44.493 45.100 0.225 0.000 0.782 57 G HN 0.462 nan 8.290 nan 0.000 0.482 58 S N -1.600 114.214 115.700 0.190 0.000 2.541 58 S HA 0.848 5.318 4.470 -0.000 0.000 0.280 58 S C -0.051 174.520 174.600 -0.048 0.000 1.112 58 S CA -0.201 58.147 58.200 0.247 0.000 0.925 58 S CB 1.925 65.373 63.200 0.414 0.000 1.067 58 S HN 1.304 nan 8.310 nan 0.000 0.479 59 G N 0.503 109.277 108.800 -0.042 0.000 2.533 59 G HA2 0.862 4.822 3.960 -0.000 0.000 0.304 59 G HA3 0.862 4.822 3.960 -0.000 0.000 0.304 59 G C -1.384 173.368 174.900 -0.246 0.000 1.263 59 G CA -0.691 44.188 45.100 -0.367 0.000 0.964 59 G HN 1.014 nan 8.290 nan 0.000 0.479 60 A N -0.136 122.354 122.820 -0.550 0.000 2.604 60 A HA 0.733 5.053 4.320 -0.000 0.000 0.295 60 A C -1.814 175.566 177.584 -0.341 0.000 1.067 60 A CA -0.746 51.158 52.037 -0.221 0.000 0.683 60 A CB 0.819 19.799 19.000 -0.034 0.000 1.281 60 A HN 0.655 nan 8.150 nan 0.000 0.407 61 Y N 0.264 120.626 120.300 0.102 0.000 2.335 61 Y HA 0.653 5.203 4.550 -0.000 0.000 0.323 61 Y C 1.196 177.118 175.900 0.037 0.000 1.224 61 Y CA 0.910 59.083 58.100 0.121 0.000 1.241 61 Y CB 2.007 40.559 38.460 0.153 0.000 1.235 61 Y HN 1.071 nan 8.280 nan 0.000 0.492 62 G N -0.254 108.672 108.800 0.211 0.000 2.706 62 G HA2 0.586 4.546 3.960 -0.000 0.000 0.307 62 G HA3 0.586 4.546 3.960 -0.000 0.000 0.307 62 G C -1.581 173.441 174.900 0.203 0.000 1.307 62 G CA -0.905 44.299 45.100 0.172 0.000 0.790 62 G HN 0.392 nan 8.290 nan 0.000 0.503 63 T N 0.316 115.021 114.554 0.252 0.000 2.886 63 T HA 0.529 4.878 4.350 -0.000 0.000 0.292 63 T C -1.627 173.332 174.700 0.431 0.000 1.012 63 T CA -0.206 62.065 62.100 0.283 0.000 0.982 63 T CB 1.721 70.699 68.868 0.184 0.000 1.018 63 T HN 0.518 nan 8.240 nan 0.000 0.451 64 F N 2.623 122.777 119.950 0.341 0.000 2.436 64 F HA 0.645 5.172 4.527 -0.000 0.000 0.340 64 F C -0.272 175.717 175.800 0.315 0.000 1.113 64 F CA -0.264 57.992 58.000 0.427 0.000 1.022 64 F CB 1.285 40.598 39.000 0.521 0.000 1.128 64 F HN 0.429 nan 8.300 nan 0.000 0.466 65 T N 5.781 119.981 114.554 -0.590 0.000 2.812 65 T HA 0.408 4.758 4.350 -0.000 0.000 0.282 65 T C -0.763 173.513 174.700 -0.706 0.000 0.990 65 T CA -0.608 61.221 62.100 -0.452 0.000 0.960 65 T CB 1.461 70.242 68.868 -0.144 0.000 0.948 65 T HN 0.404 nan 8.240 nan 0.000 0.438 66 V N 3.939 123.648 119.914 -0.342 0.000 2.585 66 V HA 0.217 4.337 4.120 -0.000 0.000 0.296 66 V C 1.592 177.659 176.094 -0.045 0.000 1.035 66 V CA 0.411 62.676 62.300 -0.058 0.000 1.084 66 V CB 0.659 32.580 31.823 0.163 0.000 0.953 66 V HN 1.188 nan 8.190 nan 0.000 0.483 67 T N 0.073 114.629 114.554 0.003 0.000 2.975 67 T HA 0.278 4.628 4.350 -0.000 0.000 0.261 67 T C 0.280 174.804 174.700 -0.293 0.000 0.984 67 T CA -0.008 62.027 62.100 -0.108 0.000 0.911 67 T CB 0.046 68.859 68.868 -0.091 0.000 1.127 67 T HN 0.679 nan 8.240 nan 0.000 0.514 68 H N 0.384 119.480 119.070 0.042 0.000 2.865 68 H HA 0.632 5.188 4.556 -0.000 0.000 0.372 68 H C -1.500 173.851 175.328 0.038 0.000 1.173 68 H CA -0.869 55.200 56.048 0.034 0.000 1.147 68 H CB 1.517 31.296 29.762 0.027 0.000 1.805 68 H HN -0.012 nan 8.280 nan 0.000 0.553 69 D N 2.197 122.688 120.400 0.151 0.000 2.380 69 D HA 0.100 4.740 4.640 -0.000 0.000 0.230 69 D C 0.411 176.759 176.300 0.080 0.000 1.154 69 D CA -0.271 53.782 54.000 0.089 0.000 0.859 69 D CB 0.413 41.243 40.800 0.050 0.000 1.045 69 D HN 0.622 nan 8.370 nan 0.000 0.495 70 I N 0.941 121.542 120.570 0.051 0.000 3.877 70 I HA 0.154 4.324 4.170 -0.000 0.000 0.332 70 I C 1.447 177.557 176.117 -0.012 0.000 1.525 70 I CA -0.430 60.912 61.300 0.070 0.000 1.146 70 I CB 0.161 38.166 38.000 0.008 0.000 1.137 70 I HN 0.125 nan 8.210 nan 0.000 0.424 71 T N -2.164 112.365 114.554 -0.042 0.000 3.007 71 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 71 T C 1.693 176.306 174.700 -0.145 0.000 1.107 71 T CA 1.093 63.150 62.100 -0.072 0.000 1.118 71 T CB -0.244 68.604 68.868 -0.033 0.000 0.889 71 T HN 0.523 nan 8.240 nan 0.000 0.506 72 K N -0.064 120.178 120.400 -0.264 0.000 2.209 72 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 72 K C 1.154 177.431 176.600 -0.537 0.000 1.048 72 K CA 1.276 57.287 56.287 -0.460 0.000 0.940 72 K CB -0.138 31.924 32.500 -0.730 0.000 0.729 72 K HN 0.569 nan 8.250 nan 0.000 0.451 73 Y N -1.067 119.121 120.300 -0.187 0.000 2.498 73 Y HA 0.175 4.725 4.550 -0.000 0.000 0.259 73 Y C 0.708 176.525 175.900 -0.137 0.000 1.086 73 Y CA 0.067 58.015 58.100 -0.254 0.000 1.287 73 Y CB 0.986 39.236 38.460 -0.350 0.000 1.146 73 Y HN -0.157 nan 8.280 nan 0.000 0.523 74 T N 0.460 114.916 114.554 -0.163 0.000 3.032 74 T HA 0.254 4.604 4.350 -0.000 0.000 0.312 74 T C 0.013 174.624 174.700 -0.148 0.000 1.078 74 T CA -0.861 61.063 62.100 -0.293 0.000 1.028 74 T CB 1.032 69.318 68.868 -0.969 0.000 1.091 74 T HN 0.315 nan 8.240 nan 0.000 0.457 75 K N 2.826 123.174 120.400 -0.087 0.000 2.417 75 K HA 0.544 4.864 4.320 -0.000 0.000 0.196 75 K C 0.754 177.324 176.600 -0.049 0.000 1.023 75 K CA -0.325 55.933 56.287 -0.047 0.000 1.122 75 K CB 0.246 32.731 32.500 -0.024 0.000 0.850 75 K HN 0.487 nan 8.250 nan 0.000 0.521 76 A N 2.226 124.986 122.820 -0.099 0.000 2.548 76 A HA 0.025 4.344 4.320 -0.000 0.000 0.247 76 A C 0.814 178.310 177.584 -0.147 0.000 1.067 76 A CA -0.291 51.642 52.037 -0.173 0.000 0.757 76 A CB 0.373 19.171 19.000 -0.336 0.000 0.996 76 A HN 0.183 nan 8.150 nan 0.000 0.504 77 K N 2.495 122.818 120.400 -0.129 0.000 2.147 77 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 77 K C 1.646 178.186 176.600 -0.099 0.000 1.049 77 K CA 1.356 57.601 56.287 -0.070 0.000 0.936 77 K CB -0.423 32.061 32.500 -0.028 0.000 0.722 77 K HN 0.864 nan 8.250 nan 0.000 0.446 78 I N 0.163 120.577 120.570 -0.261 0.000 2.423 78 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 78 I C 0.638 176.659 176.117 -0.160 0.000 1.151 78 I CA 1.247 62.370 61.300 -0.295 0.000 1.421 78 I CB 0.104 37.757 38.000 -0.579 0.000 1.079 78 I HN -0.070 nan 8.210 nan 0.000 0.431 79 F N 0.074 120.052 119.950 0.046 0.000 2.664 79 F HA 0.154 4.681 4.527 -0.000 0.000 0.303 79 F C 2.458 178.280 175.800 0.037 0.000 1.092 79 F CA 0.275 58.319 58.000 0.074 0.000 1.305 79 F CB -0.842 38.148 39.000 -0.016 0.000 1.054 79 F HN 0.088 nan 8.300 nan 0.000 0.565 80 S N -1.065 114.723 115.700 0.147 0.000 2.402 80 S HA -0.077 4.393 4.470 -0.000 0.000 0.229 80 S C 0.119 174.767 174.600 0.080 0.000 1.021 80 S CA 0.787 59.038 58.200 0.085 0.000 0.974 80 S CB -0.384 62.842 63.200 0.044 0.000 0.800 80 S HN 0.279 nan 8.310 nan 0.000 0.484 81 D N -0.078 120.379 120.400 0.095 0.000 2.896 81 D HA 0.487 5.127 4.640 -0.000 0.000 0.241 81 D C -0.991 175.354 176.300 0.076 0.000 1.188 81 D CA -0.496 53.545 54.000 0.069 0.000 0.879 81 D CB 1.556 42.386 40.800 0.050 0.000 1.553 81 D HN 0.147 nan 8.370 nan 0.000 0.515 82 I N 2.167 122.767 120.570 0.051 0.000 2.741 82 I HA 0.171 4.341 4.170 -0.000 0.000 0.288 82 I C 1.628 177.755 176.117 0.016 0.000 1.192 82 I CA 0.986 62.302 61.300 0.026 0.000 1.426 82 I CB 0.214 38.210 38.000 -0.006 0.000 1.367 82 I HN 0.862 nan 8.210 nan 0.000 0.563 83 G N 4.694 113.497 108.800 0.005 0.000 2.217 83 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 83 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 83 G C 0.472 175.386 174.900 0.024 0.000 0.990 83 G CA -0.085 45.018 45.100 0.004 0.000 0.627 83 G HN 0.613 nan 8.290 nan 0.000 0.522 84 K N 1.348 121.777 120.400 0.048 0.000 2.451 84 K HA 0.365 4.685 4.320 -0.000 0.000 0.280 84 K C 0.094 176.748 176.600 0.089 0.000 1.020 84 K CA 0.305 56.638 56.287 0.076 0.000 1.008 84 K CB 0.147 32.709 32.500 0.104 0.000 0.917 84 K HN 0.260 nan 8.250 nan 0.000 0.478 85 K N 2.622 123.083 120.400 0.101 0.000 2.244 85 K HA 0.264 4.584 4.320 -0.000 0.000 0.260 85 K C -1.064 175.650 176.600 0.191 0.000 0.951 85 K CA -0.665 55.701 56.287 0.131 0.000 0.826 85 K CB 2.116 34.674 32.500 0.098 0.000 1.108 85 K HN 0.481 nan 8.250 nan 0.000 0.433 86 T N 1.873 116.603 114.554 0.294 0.000 2.841 86 T HA 0.194 4.544 4.350 -0.000 0.000 0.285 86 T C -0.750 174.157 174.700 0.345 0.000 0.991 86 T CA -0.908 61.385 62.100 0.322 0.000 0.966 86 T CB 1.182 70.276 68.868 0.377 0.000 0.962 86 T HN 0.399 nan 8.240 nan 0.000 0.438 87 D N 3.418 123.994 120.400 0.293 0.000 2.382 87 D HA 0.451 5.091 4.640 -0.000 0.000 0.240 87 D C 0.384 176.932 176.300 0.412 0.000 1.146 87 D CA 0.115 54.303 54.000 0.314 0.000 0.897 87 D CB 0.741 41.680 40.800 0.231 0.000 1.197 87 D HN 0.599 nan 8.370 nan 0.000 0.432 88 M N -0.514 119.289 119.600 0.339 0.000 2.682 88 M HA 0.585 5.064 4.480 -0.000 0.000 0.272 88 M C -1.905 174.460 176.300 0.109 0.000 1.232 88 M CA -1.076 54.233 55.300 0.014 0.000 0.849 88 M CB 2.512 34.907 32.600 -0.343 0.000 1.695 88 M HN 0.189 nan 8.290 nan 0.000 0.481 89 F N 1.262 120.983 119.950 -0.382 0.000 2.556 89 F HA 0.916 5.443 4.527 -0.000 0.000 0.314 89 F C -1.653 173.799 175.800 -0.580 0.000 1.106 89 F CA -0.399 57.348 58.000 -0.421 0.000 0.911 89 F CB 2.071 40.843 39.000 -0.380 0.000 1.190 89 F HN 0.968 nan 8.300 nan 0.000 0.448 90 A N 6.008 127.935 122.820 -1.488 0.000 2.365 90 A HA 0.824 5.144 4.320 -0.000 0.000 0.318 90 A C -1.277 175.267 177.584 -1.735 0.000 1.091 90 A CA -0.867 50.250 52.037 -1.534 0.000 0.763 90 A CB 1.449 19.533 19.000 -1.528 0.000 1.248 90 A HN 0.856 nan 8.150 nan 0.000 0.442 91 R N 2.046 121.692 120.500 -1.423 0.000 2.476 91 R HA 0.612 4.952 4.340 -0.000 0.000 0.305 91 R C -1.823 173.792 176.300 -1.143 0.000 0.965 91 R CA -0.362 55.103 56.100 -1.058 0.000 0.867 91 R CB 0.877 30.909 30.300 -0.447 0.000 1.176 91 R HN 0.643 nan 8.270 nan 0.000 0.447 92 F N 1.780 121.293 119.950 -0.729 0.000 2.432 92 F HA 0.522 5.049 4.527 -0.000 0.000 0.329 92 F C 0.480 175.891 175.800 -0.649 0.000 1.076 92 F CA -0.429 57.038 58.000 -0.890 0.000 1.018 92 F CB 2.183 40.252 39.000 -1.550 0.000 1.201 92 F HN 0.559 nan 8.300 nan 0.000 0.489 93 S N -0.905 114.719 115.700 -0.127 0.000 2.567 93 S HA 0.554 5.024 4.470 -0.000 0.000 0.270 93 S C -0.595 174.162 174.600 0.263 0.000 1.152 93 S CA -0.938 57.347 58.200 0.142 0.000 0.835 93 S CB 1.232 64.546 63.200 0.192 0.000 1.115 93 S HN 0.751 nan 8.310 nan 0.000 0.459 94 T N -1.027 113.656 114.554 0.215 0.000 2.833 94 T HA 0.646 4.996 4.350 -0.000 0.000 0.312 94 T C 0.865 175.524 174.700 -0.069 0.000 1.085 94 T CA 0.019 62.183 62.100 0.107 0.000 0.955 94 T CB 0.204 69.115 68.868 0.072 0.000 1.353 94 T HN 0.694 nan 8.240 nan 0.000 0.544 95 V N -0.392 119.439 119.914 -0.139 0.000 3.029 95 V HA 0.346 4.466 4.120 -0.000 0.000 0.230 95 V C 2.702 178.724 176.094 -0.121 0.000 1.254 95 V CA 0.710 62.806 62.300 -0.340 0.000 1.276 95 V CB -0.653 31.032 31.823 -0.229 0.000 1.080 95 V HN 1.011 nan 8.190 nan 0.000 0.495 96 A N 0.501 123.293 122.820 -0.047 0.000 1.984 96 A HA 0.352 4.672 4.320 -0.000 0.000 0.214 96 A C 1.586 179.163 177.584 -0.011 0.000 1.173 96 A CA 0.942 52.960 52.037 -0.031 0.000 0.673 96 A CB -0.792 18.185 19.000 -0.038 0.000 0.830 96 A HN 0.554 nan 8.150 nan 0.000 0.453 97 G N 0.540 109.341 108.800 0.003 0.000 2.432 97 G HA2 0.399 4.359 3.960 -0.000 0.000 0.239 97 G HA3 0.399 4.359 3.960 -0.000 0.000 0.239 97 G C -0.206 174.712 174.900 0.031 0.000 1.291 97 G CA -0.213 44.897 45.100 0.017 0.000 0.863 97 G HN 0.455 nan 8.290 nan 0.000 0.560 98 E N 0.324 120.542 120.200 0.029 0.000 2.620 98 E HA 0.282 4.632 4.350 -0.000 0.000 0.255 98 E C 0.813 177.445 176.600 0.053 0.000 1.346 98 E CA -0.464 55.960 56.400 0.040 0.000 1.013 98 E CB 0.481 30.198 29.700 0.029 0.000 1.131 98 E HN 0.491 nan 8.360 nan 0.000 0.608 99 R N -0.132 120.405 120.500 0.060 0.000 2.538 99 R HA 0.195 4.535 4.340 -0.000 0.000 0.282 99 R C 0.817 177.147 176.300 0.049 0.000 1.009 99 R CA 1.400 57.542 56.100 0.070 0.000 1.063 99 R CB -0.279 30.063 30.300 0.070 0.000 0.945 99 R HN 0.739 nan 8.270 nan 0.000 0.414 100 G N 1.877 110.705 108.800 0.046 0.000 2.241 100 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.244 100 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.244 100 G C 0.234 175.151 174.900 0.028 0.000 0.998 100 G CA -0.039 45.079 45.100 0.031 0.000 0.621 100 G HN 0.910 nan 8.290 nan 0.000 0.519 101 A N 0.619 123.458 122.820 0.031 0.000 2.448 101 A HA 0.721 5.041 4.320 -0.000 0.000 0.239 101 A C 1.189 178.786 177.584 0.022 0.000 1.080 101 A CA 1.118 53.169 52.037 0.024 0.000 0.779 101 A CB 0.093 19.107 19.000 0.023 0.000 1.026 101 A HN 2.180 nan 8.150 nan 0.000 0.499 102 A N 0.874 123.701 122.820 0.012 0.000 2.520 102 A HA 0.291 4.611 4.320 -0.000 0.000 0.245 102 A C 0.739 178.310 177.584 -0.022 0.000 1.072 102 A CA 0.139 52.177 52.037 0.002 0.000 0.761 102 A CB -0.099 18.901 19.000 0.001 0.000 1.004 102 A HN 0.802 nan 8.150 nan 0.000 0.499 103 D N 2.209 122.582 120.400 -0.045 0.000 2.144 103 D HA -0.067 4.573 4.640 -0.000 0.000 0.199 103 D C 1.298 177.392 176.300 -0.344 0.000 0.984 103 D CA 2.066 55.968 54.000 -0.163 0.000 0.834 103 D CB -0.032 40.676 40.800 -0.154 0.000 0.955 103 D HN 0.640 nan 8.370 nan 0.000 0.465 104 A N 1.089 123.785 122.820 -0.207 0.000 3.293 104 A HA 0.201 4.521 4.320 -0.000 0.000 0.282 104 A C 0.172 177.725 177.584 -0.052 0.000 1.394 104 A CA -0.281 51.660 52.037 -0.160 0.000 1.118 104 A CB -0.155 18.851 19.000 0.011 0.000 1.133 104 A HN -0.027 nan 8.150 nan 0.000 0.627 105 E N 0.164 120.332 120.200 -0.053 0.000 2.232 105 E HA 0.300 4.649 4.350 -0.000 0.000 0.265 105 E C -0.129 176.492 176.600 0.034 0.000 1.001 105 E CA -0.955 55.448 56.400 0.005 0.000 0.870 105 E CB 1.530 31.236 29.700 0.010 0.000 1.175 105 E HN 0.507 nan 8.360 nan 0.000 0.407 106 R N 1.990 122.530 120.500 0.067 0.000 2.296 106 R HA 0.077 4.417 4.340 -0.000 0.000 0.323 106 R C -1.078 175.294 176.300 0.119 0.000 1.067 106 R CA 0.505 56.666 56.100 0.102 0.000 0.946 106 R CB 0.189 30.566 30.300 0.128 0.000 0.991 106 R HN 0.397 nan 8.270 nan 0.000 0.448 107 D N 3.271 123.748 120.400 0.128 0.000 2.783 107 D HA 0.143 4.783 4.640 -0.000 0.000 0.253 107 D C -0.555 175.838 176.300 0.155 0.000 1.206 107 D CA -0.583 53.505 54.000 0.145 0.000 0.740 107 D CB 1.030 41.889 40.800 0.098 0.000 1.313 107 D HN 0.407 nan 8.370 nan 0.000 0.427 108 I N 1.594 122.273 120.570 0.181 0.000 2.948 108 I HA 0.051 4.221 4.170 -0.000 0.000 0.290 108 I C 0.712 176.947 176.117 0.197 0.000 1.226 108 I CA 0.176 61.589 61.300 0.189 0.000 1.413 108 I CB 0.306 38.451 38.000 0.242 0.000 1.352 108 I HN 0.044 nan 8.210 nan 0.000 0.597 109 R N 3.971 124.621 120.500 0.251 0.000 2.445 109 R HA 0.411 4.751 4.340 -0.000 0.000 0.308 109 R C -0.127 176.383 176.300 0.352 0.000 0.961 109 R CA -0.792 55.490 56.100 0.303 0.000 0.862 109 R CB 1.412 31.930 30.300 0.364 0.000 1.144 109 R HN 0.780 nan 8.270 nan 0.000 0.447 110 G N 1.166 110.199 108.800 0.388 0.000 2.483 110 G HA2 0.301 4.261 3.960 -0.000 0.000 0.248 110 G HA3 0.301 4.261 3.960 -0.000 0.000 0.248 110 G C -0.990 173.999 174.900 0.149 0.000 1.248 110 G CA -0.088 45.183 45.100 0.286 0.000 0.838 110 G HN 0.453 nan 8.290 nan 0.000 0.566 111 F N 1.872 121.738 119.950 -0.140 0.000 2.809 111 F HA 0.480 5.007 4.527 -0.000 0.000 0.369 111 F C 0.041 175.510 175.800 -0.552 0.000 1.225 111 F CA -0.840 57.032 58.000 -0.214 0.000 1.201 111 F CB 1.415 40.368 39.000 -0.077 0.000 1.527 111 F HN 0.416 nan 8.300 nan 0.000 0.565 112 S N 5.741 120.917 115.700 -0.874 0.000 2.456 112 S HA 0.814 5.284 4.470 -0.000 0.000 0.316 112 S C -0.966 172.804 174.600 -1.384 0.000 1.089 112 S CA -0.442 57.050 58.200 -1.180 0.000 1.101 112 S CB 0.589 62.820 63.200 -1.615 0.000 0.995 112 S HN 0.519 nan 8.310 nan 0.000 0.468 113 L N 4.398 124.984 121.223 -1.061 0.000 2.365 113 L HA 0.636 4.976 4.340 -0.000 0.000 0.273 113 L C -0.321 176.112 176.870 -0.728 0.000 1.000 113 L CA -0.797 53.412 54.840 -1.051 0.000 0.819 113 L CB 2.049 43.288 42.059 -1.366 0.000 1.284 113 L HN 0.490 nan 8.230 nan 0.000 0.418 114 K N 3.016 122.991 120.400 -0.708 0.000 2.535 114 K HA 0.517 4.836 4.320 -0.000 0.000 0.253 114 K C -1.701 174.337 176.600 -0.936 0.000 0.953 114 K CA -0.440 55.459 56.287 -0.647 0.000 0.863 114 K CB 1.010 33.188 32.500 -0.537 0.000 1.111 114 K HN 0.322 nan 8.250 nan 0.000 0.431 115 F N 3.728 123.370 119.950 -0.514 0.000 2.404 115 F HA 0.288 4.815 4.527 -0.000 0.000 0.354 115 F C -0.317 175.328 175.800 -0.259 0.000 1.122 115 F CA -0.740 57.057 58.000 -0.338 0.000 1.080 115 F CB 0.759 39.647 39.000 -0.188 0.000 1.131 115 F HN 0.410 nan 8.300 nan 0.000 0.471 116 Y N 1.780 122.170 120.300 0.149 0.000 2.636 116 Y HA 0.209 4.759 4.550 -0.000 0.000 0.334 116 Y C 1.067 177.027 175.900 0.099 0.000 1.286 116 Y CA -0.898 57.257 58.100 0.091 0.000 1.688 116 Y CB -0.474 38.019 38.460 0.054 0.000 1.662 116 Y HN 0.565 nan 8.280 nan 0.000 0.465 117 T N -2.521 112.147 114.554 0.190 0.000 2.847 117 T HA 0.097 4.446 4.350 -0.000 0.000 0.279 117 T C 1.204 175.954 174.700 0.083 0.000 0.984 117 T CA -0.549 61.620 62.100 0.115 0.000 0.988 117 T CB 1.129 70.019 68.868 0.037 0.000 1.040 117 T HN 0.716 nan 8.240 nan 0.000 0.528 118 E N -0.280 119.949 120.200 0.049 0.000 2.478 118 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 118 E C 0.723 177.327 176.600 0.007 0.000 1.046 118 E CA 0.710 57.131 56.400 0.034 0.000 0.870 118 E CB -0.045 29.675 29.700 0.033 0.000 0.818 118 E HN 0.838 nan 8.360 nan 0.000 0.527 119 E N 0.643 120.832 120.200 -0.018 0.000 2.869 119 E HA 0.321 4.671 4.350 -0.000 0.000 0.207 119 E C -0.223 176.336 176.600 -0.068 0.000 0.986 119 E CA -0.044 56.311 56.400 -0.074 0.000 1.131 119 E CB 1.270 30.903 29.700 -0.111 0.000 1.098 119 E HN 0.363 nan 8.360 nan 0.000 0.459 120 G N 1.307 110.104 108.800 -0.006 0.000 2.459 120 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.685 120 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.685 120 G C -1.092 173.848 174.900 0.067 0.000 1.303 120 G CA -1.149 43.964 45.100 0.022 0.000 0.907 120 G HN 0.220 nan 8.290 nan 0.000 0.632 121 N N -0.095 118.648 118.700 0.072 0.000 2.470 121 N HA 0.339 5.078 4.740 -0.000 0.000 0.268 121 N C -0.518 175.060 175.510 0.113 0.000 1.136 121 N CA -0.165 52.914 53.050 0.048 0.000 0.961 121 N CB 0.930 39.394 38.487 -0.038 0.000 1.067 121 N HN 0.577 nan 8.380 nan 0.000 0.468 122 W N 4.274 125.536 121.300 -0.063 0.000 2.316 122 W HA 0.262 4.922 4.660 -0.000 0.000 0.308 122 W C -1.056 175.451 176.519 -0.021 0.000 1.106 122 W CA -1.001 56.316 57.345 -0.047 0.000 1.262 122 W CB 0.243 29.648 29.460 -0.092 0.000 1.233 122 W HN 0.403 nan 8.180 nan 0.000 0.447 123 D N 5.872 126.240 120.400 -0.053 0.000 2.274 123 D HA 0.213 4.853 4.640 -0.000 0.000 0.239 123 D C -1.029 175.031 176.300 -0.400 0.000 1.104 123 D CA -0.276 53.599 54.000 -0.209 0.000 0.840 123 D CB 1.786 42.558 40.800 -0.047 0.000 1.100 123 D HN 0.371 nan 8.370 nan 0.000 0.477 124 L N 2.521 123.382 121.223 -0.602 0.000 2.366 124 L HA 0.473 4.812 4.340 -0.000 0.000 0.266 124 L C -0.485 176.123 176.870 -0.438 0.000 1.010 124 L CA -0.722 53.779 54.840 -0.564 0.000 0.879 124 L CB 1.122 42.685 42.059 -0.826 0.000 1.228 124 L HN 0.351 nan 8.230 nan 0.000 0.439 125 A N 4.090 126.719 122.820 -0.319 0.000 2.807 125 A HA 0.652 4.972 4.320 -0.000 0.000 0.307 125 A C 0.689 178.155 177.584 -0.196 0.000 1.532 125 A CA 0.215 52.035 52.037 -0.361 0.000 1.215 125 A CB -0.871 17.917 19.000 -0.354 0.000 1.127 125 A HN 0.759 nan 8.150 nan 0.000 0.543 126 G N 0.992 109.691 108.800 -0.167 0.000 2.537 126 G HA2 0.491 4.451 3.960 -0.000 0.000 0.297 126 G HA3 0.491 4.451 3.960 -0.000 0.000 0.297 126 G C -0.283 174.654 174.900 0.061 0.000 1.310 126 G CA -0.531 44.573 45.100 0.006 0.000 1.027 126 G HN 0.567 nan 8.290 nan 0.000 0.505 127 N N -0.991 117.798 118.700 0.148 0.000 2.577 127 N HA 0.193 4.933 4.740 -0.000 0.000 0.285 127 N C 0.571 176.259 175.510 0.296 0.000 1.309 127 N CA -0.768 52.421 53.050 0.231 0.000 0.798 127 N CB 1.492 40.103 38.487 0.206 0.000 1.463 127 N HN 0.515 nan 8.380 nan 0.000 0.518 128 N N -1.098 117.801 118.700 0.332 0.000 2.434 128 N HA -0.039 4.701 4.740 -0.000 0.000 0.196 128 N C -0.310 175.453 175.510 0.421 0.000 1.183 128 N CA 0.179 53.452 53.050 0.371 0.000 0.849 128 N CB -0.000 38.694 38.487 0.345 0.000 0.992 128 N HN 0.409 nan 8.380 nan 0.000 0.460 129 T N -0.261 114.449 114.554 0.261 0.000 2.900 129 T HA 0.393 4.743 4.350 -0.000 0.000 0.295 129 T C -2.406 171.979 174.700 -0.525 0.000 1.044 129 T CA -1.867 60.138 62.100 -0.159 0.000 0.995 129 T CB 2.248 71.018 68.868 -0.164 0.000 1.072 129 T HN -0.183 nan 8.240 nan 0.000 0.473 130 P HA 0.126 nan 4.420 nan 0.000 0.236 130 P C 0.503 177.506 177.300 -0.494 0.000 1.177 130 P CA 0.388 62.929 63.100 -0.931 0.000 0.773 130 P CB -0.070 31.036 31.700 -0.990 0.000 0.878 131 V N -4.810 114.831 119.914 -0.455 0.000 3.164 131 V HA 0.763 4.883 4.120 -0.000 0.000 0.313 131 V C -0.817 175.160 176.094 -0.196 0.000 1.188 131 V CA -1.171 60.915 62.300 -0.357 0.000 1.058 131 V CB 2.016 33.514 31.823 -0.542 0.000 1.110 131 V HN -0.119 nan 8.190 nan 0.000 0.453 132 F N -1.204 118.533 119.950 -0.355 0.000 2.692 132 F HA 0.674 5.201 4.527 -0.000 0.000 0.320 132 F C 0.420 176.044 175.800 -0.293 0.000 1.123 132 F CA -1.442 56.358 58.000 -0.332 0.000 0.961 132 F CB 1.791 40.722 39.000 -0.115 0.000 1.383 132 F HN 0.460 nan 8.300 nan 0.000 0.483 133 F N 1.215 120.736 119.950 -0.715 0.000 2.325 133 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 133 F C 0.391 176.088 175.800 -0.172 0.000 1.090 133 F CA 0.718 58.428 58.000 -0.482 0.000 1.392 133 F CB -0.146 38.508 39.000 -0.577 0.000 1.053 133 F HN -0.091 nan 8.300 nan 0.000 0.521 134 L N -0.491 120.869 121.223 0.228 0.000 2.342 134 L HA 0.455 4.795 4.340 -0.000 0.000 0.271 134 L C 0.934 177.907 176.870 0.172 0.000 1.008 134 L CA -0.800 54.188 54.840 0.247 0.000 0.818 134 L CB 2.055 44.367 42.059 0.422 0.000 1.296 134 L HN -0.163 nan 8.230 nan 0.000 0.427 135 R N -0.350 120.149 120.500 -0.002 0.000 2.206 135 R HA 0.124 4.464 4.340 -0.000 0.000 0.198 135 R C -0.193 176.082 176.300 -0.041 0.000 0.986 135 R CA 0.347 56.378 56.100 -0.114 0.000 1.029 135 R CB 0.426 30.438 30.300 -0.481 0.000 0.966 135 R HN 0.609 nan 8.270 nan 0.000 0.487 136 D N 0.101 120.523 120.400 0.036 0.000 2.649 136 D HA 0.154 4.794 4.640 -0.000 0.000 0.249 136 D C -1.992 174.431 176.300 0.205 0.000 1.112 136 D CA -2.132 51.948 54.000 0.133 0.000 0.850 136 D CB 2.636 43.556 40.800 0.199 0.000 1.399 136 D HN -0.183 nan 8.370 nan 0.000 0.503 137 P HA -0.051 nan 4.420 nan 0.000 0.222 137 P C 1.855 179.293 177.300 0.230 0.000 1.147 137 P CA 0.328 63.554 63.100 0.209 0.000 0.790 137 P CB 0.627 32.401 31.700 0.125 0.000 0.780 138 L N -0.443 120.898 121.223 0.197 0.000 2.187 138 L HA -0.145 4.194 4.340 -0.000 0.000 0.213 138 L C 2.251 179.242 176.870 0.201 0.000 1.100 138 L CA 1.373 56.321 54.840 0.179 0.000 0.765 138 L CB -0.555 41.600 42.059 0.160 0.000 0.904 138 L HN -0.078 nan 8.230 nan 0.000 0.437 139 K N -1.028 119.526 120.400 0.257 0.000 2.487 139 K HA -0.033 4.287 4.320 -0.000 0.000 0.192 139 K C 1.704 178.468 176.600 0.273 0.000 1.027 139 K CA 0.439 56.905 56.287 0.298 0.000 1.054 139 K CB -0.102 32.618 32.500 0.367 0.000 0.824 139 K HN 0.182 nan 8.250 nan 0.000 0.510 140 F N 2.672 122.711 119.950 0.149 0.000 2.113 140 F HA -0.079 4.448 4.527 -0.000 0.000 0.297 140 F C -0.914 174.857 175.800 -0.048 0.000 1.103 140 F CA 1.066 59.137 58.000 0.118 0.000 1.248 140 F CB -0.733 38.346 39.000 0.132 0.000 0.999 140 F HN 0.027 nan 8.300 nan 0.000 0.475 141 P HA -0.152 nan 4.420 nan 0.000 0.218 141 P C 1.028 177.931 177.300 -0.662 0.000 1.148 141 P CA 1.813 64.721 63.100 -0.321 0.000 0.822 141 P CB -0.087 31.491 31.700 -0.203 0.000 0.784 142 D N -0.802 119.349 120.400 -0.415 0.000 2.117 142 D HA -0.117 4.522 4.640 -0.000 0.000 0.198 142 D C 1.932 177.620 176.300 -1.019 0.000 0.982 142 D CA 0.885 54.562 54.000 -0.538 0.000 0.828 142 D CB -0.523 40.144 40.800 -0.223 0.000 0.967 142 D HN 0.099 nan 8.370 nan 0.000 0.464 143 L N 1.932 122.615 121.223 -0.899 0.000 2.012 143 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 143 L C 1.875 178.344 176.870 -0.669 0.000 1.073 143 L CA 1.624 55.949 54.840 -0.858 0.000 0.748 143 L CB -0.811 41.025 42.059 -0.373 0.000 0.891 143 L HN -0.053 nan 8.230 nan 0.000 0.431 144 N N -0.441 117.892 118.700 -0.612 0.000 2.036 144 N HA -0.302 4.438 4.740 -0.000 0.000 0.195 144 N C 1.919 177.285 175.510 -0.241 0.000 1.037 144 N CA 2.433 55.248 53.050 -0.391 0.000 0.855 144 N CB -0.365 37.931 38.487 -0.318 0.000 1.033 144 N HN 0.696 nan 8.380 nan 0.000 0.423 145 H N -0.574 118.291 119.070 -0.340 0.000 2.491 145 H HA 0.037 4.593 4.556 -0.000 0.000 0.290 145 H C 1.882 177.005 175.328 -0.342 0.000 1.050 145 H CA 0.745 56.621 56.048 -0.286 0.000 1.309 145 H CB 0.182 29.801 29.762 -0.238 0.000 1.392 145 H HN 0.415 nan 8.280 nan 0.000 0.554 146 A N 0.766 123.348 122.820 -0.398 0.000 1.975 146 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 146 A C 2.378 179.701 177.584 -0.435 0.000 1.170 146 A CA 1.065 52.828 52.037 -0.456 0.000 0.656 146 A CB -0.327 18.247 19.000 -0.710 0.000 0.821 146 A HN 0.313 nan 8.150 nan 0.000 0.449 147 V N -3.033 116.624 119.914 -0.429 0.000 3.354 147 V HA 0.219 4.339 4.120 -0.000 0.000 0.258 147 V C 0.874 176.829 176.094 -0.231 0.000 1.159 147 V CA 0.589 62.660 62.300 -0.382 0.000 1.125 147 V CB -0.460 31.150 31.823 -0.354 0.000 0.774 147 V HN 0.324 nan 8.190 nan 0.000 0.464 148 K N 0.441 120.733 120.400 -0.180 0.000 2.727 148 K HA 0.516 4.836 4.320 -0.000 0.000 0.299 148 K C -0.163 176.375 176.600 -0.103 0.000 0.996 148 K CA -1.046 55.175 56.287 -0.111 0.000 1.212 148 K CB 0.506 32.964 32.500 -0.070 0.000 1.529 148 K HN 0.183 nan 8.250 nan 0.000 0.646 149 R N 1.480 121.933 120.500 -0.077 0.000 2.390 149 R HA 0.057 4.397 4.340 -0.000 0.000 0.291 149 R C -0.651 175.596 176.300 -0.087 0.000 1.070 149 R CA -0.246 55.810 56.100 -0.073 0.000 1.014 149 R CB 0.543 30.811 30.300 -0.054 0.000 1.007 149 R HN 0.512 nan 8.270 nan 0.000 0.466 150 D N 2.900 123.251 120.400 -0.082 0.000 2.455 150 D HA 0.017 4.657 4.640 -0.000 0.000 0.241 150 D C -1.460 174.791 176.300 -0.082 0.000 1.138 150 D CA -1.391 52.559 54.000 -0.084 0.000 0.877 150 D CB 1.044 41.805 40.800 -0.067 0.000 1.187 150 D HN 0.177 nan 8.370 nan 0.000 0.451 151 P HA -0.194 nan 4.420 nan 0.000 0.217 151 P C 0.994 178.254 177.300 -0.066 0.000 1.151 151 P CA 1.306 64.350 63.100 -0.094 0.000 0.849 151 P CB 0.140 31.779 31.700 -0.101 0.000 0.787 152 R N -0.985 119.482 120.500 -0.055 0.000 2.103 152 R HA -0.017 4.323 4.340 -0.000 0.000 0.212 152 R C 2.107 178.386 176.300 -0.035 0.000 1.107 152 R CA 1.704 57.779 56.100 -0.041 0.000 1.025 152 R CB -0.682 29.597 30.300 -0.035 0.000 0.929 152 R HN 0.171 nan 8.270 nan 0.000 0.456 153 T N -1.649 112.883 114.554 -0.036 0.000 3.055 153 T HA -0.051 4.299 4.350 -0.000 0.000 0.265 153 T C 0.825 175.507 174.700 -0.030 0.000 1.111 153 T CA 0.932 63.014 62.100 -0.030 0.000 1.118 153 T CB -0.308 68.543 68.868 -0.029 0.000 0.909 153 T HN 0.461 nan 8.240 nan 0.000 0.501 154 N N 0.308 118.986 118.700 -0.037 0.000 2.693 154 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 154 N C -0.593 174.898 175.510 -0.032 0.000 1.119 154 N CA 0.985 54.013 53.050 -0.035 0.000 0.717 154 N CB -1.632 36.839 38.487 -0.027 0.000 1.071 154 N HN 0.716 nan 8.380 nan 0.000 0.555 155 M N -0.278 119.300 119.600 -0.035 0.000 2.658 155 M HA 0.417 4.897 4.480 -0.000 0.000 0.295 155 M C 0.283 176.556 176.300 -0.046 0.000 1.248 155 M CA -0.838 54.443 55.300 -0.033 0.000 0.843 155 M CB 1.949 34.535 32.600 -0.023 0.000 1.749 155 M HN -0.120 nan 8.290 nan 0.000 0.464 156 R N 0.759 121.231 120.500 -0.048 0.000 2.679 156 R HA 0.250 4.590 4.340 -0.000 0.000 0.268 156 R C -0.235 176.029 176.300 -0.061 0.000 1.044 156 R CA 0.012 56.071 56.100 -0.069 0.000 1.105 156 R CB 0.612 30.871 30.300 -0.068 0.000 0.989 156 R HN 0.613 nan 8.270 nan 0.000 0.447 157 S N 0.723 116.373 115.700 -0.083 0.000 2.640 157 S HA 0.355 4.825 4.470 -0.000 0.000 0.320 157 S C 0.803 175.368 174.600 -0.059 0.000 1.097 157 S CA -0.301 57.863 58.200 -0.059 0.000 1.092 157 S CB 1.607 64.769 63.200 -0.064 0.000 0.988 157 S HN 0.672 nan 8.310 nan 0.000 0.470 158 A N 5.819 128.644 122.820 0.008 0.000 1.908 158 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 158 A C 2.222 179.891 177.584 0.142 0.000 1.181 158 A CA 1.557 53.663 52.037 0.114 0.000 0.627 158 A CB -0.616 18.475 19.000 0.152 0.000 0.818 158 A HN 0.775 nan 8.150 nan 0.000 0.445 159 K N 0.356 120.798 120.400 0.070 0.000 1.991 159 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 159 K C 1.767 178.384 176.600 0.029 0.000 1.049 159 K CA 2.141 58.466 56.287 0.063 0.000 0.932 159 K CB -0.779 31.739 32.500 0.031 0.000 0.717 159 K HN 0.693 nan 8.250 nan 0.000 0.441 160 N N 0.813 119.493 118.700 -0.033 0.000 2.060 160 N HA -0.223 4.517 4.740 -0.000 0.000 0.195 160 N C 1.813 177.224 175.510 -0.165 0.000 1.028 160 N CA 1.404 54.404 53.050 -0.084 0.000 0.861 160 N CB -0.266 38.148 38.487 -0.122 0.000 1.029 160 N HN 0.284 nan 8.380 nan 0.000 0.428 161 N N 0.267 118.789 118.700 -0.297 0.000 2.084 161 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 161 N C 1.291 176.349 175.510 -0.753 0.000 1.030 161 N CA 1.346 53.977 53.050 -0.698 0.000 0.849 161 N CB -0.258 37.698 38.487 -0.884 0.000 1.012 161 N HN 0.345 nan 8.380 nan 0.000 0.423 162 W N 0.775 121.891 121.300 -0.306 0.000 2.523 162 W HA 0.041 4.701 4.660 -0.000 0.000 0.278 162 W C 2.148 178.663 176.519 -0.007 0.000 1.236 162 W CA 0.308 57.586 57.345 -0.113 0.000 1.306 162 W CB -0.321 29.108 29.460 -0.052 0.000 1.101 162 W HN 0.119 nan 8.180 nan 0.000 0.577 163 D N 0.015 120.522 120.400 0.178 0.000 2.104 163 D HA -0.274 4.366 4.640 -0.000 0.000 0.194 163 D C 1.877 178.258 176.300 0.134 0.000 0.994 163 D CA 1.433 55.516 54.000 0.139 0.000 0.830 163 D CB -0.534 40.324 40.800 0.096 0.000 0.959 163 D HN 0.067 nan 8.370 nan 0.000 0.452 164 F N -0.101 119.807 119.950 -0.070 0.000 2.075 164 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 164 F C 1.928 177.752 175.800 0.041 0.000 1.113 164 F CA 1.529 59.483 58.000 -0.077 0.000 1.218 164 F CB -0.509 38.363 39.000 -0.214 0.000 0.984 164 F HN 0.053 nan 8.300 nan 0.000 0.472 165 W N 0.979 122.171 121.300 -0.181 0.000 2.358 165 W HA -0.165 4.495 4.660 -0.000 0.000 0.303 165 W C 2.906 179.366 176.519 -0.100 0.000 1.208 165 W CA 2.503 59.682 57.345 -0.277 0.000 1.274 165 W CB -1.874 27.357 29.460 -0.382 0.000 1.138 165 W HN 0.190 nan 8.180 nan 0.000 0.515 166 T N -3.490 111.251 114.554 0.311 0.000 3.072 166 T HA -0.041 4.308 4.350 -0.000 0.000 0.266 166 T C 1.618 176.463 174.700 0.241 0.000 1.127 166 T CA 1.357 63.671 62.100 0.356 0.000 1.107 166 T CB -0.411 68.651 68.868 0.324 0.000 0.910 166 T HN -0.090 nan 8.240 nan 0.000 0.513 167 S N 0.882 116.623 115.700 0.068 0.000 2.527 167 S HA 0.344 4.814 4.470 -0.000 0.000 0.222 167 S C 0.484 175.018 174.600 -0.110 0.000 0.985 167 S CA 0.033 58.227 58.200 -0.010 0.000 0.921 167 S CB -0.202 62.971 63.200 -0.045 0.000 0.772 167 S HN 0.500 nan 8.310 nan 0.000 0.529 168 L N 2.598 123.713 121.223 -0.180 0.000 2.384 168 L HA 0.307 4.647 4.340 -0.000 0.000 0.261 168 L C -1.904 174.775 176.870 -0.319 0.000 1.024 168 L CA -1.859 52.825 54.840 -0.260 0.000 0.899 168 L CB 1.601 43.468 42.059 -0.318 0.000 1.243 168 L HN -0.091 nan 8.230 nan 0.000 0.449 169 P HA -0.218 nan 4.420 nan 0.000 0.218 169 P C 1.124 178.033 177.300 -0.652 0.000 1.148 169 P CA 1.218 63.808 63.100 -0.849 0.000 0.822 169 P CB 0.220 31.183 31.700 -1.229 0.000 0.784 170 E N 0.894 120.756 120.200 -0.563 0.000 2.267 170 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 170 E C 1.781 178.324 176.600 -0.095 0.000 0.998 170 E CA 1.484 57.800 56.400 -0.141 0.000 0.830 170 E CB -1.183 28.529 29.700 0.020 0.000 0.751 170 E HN 0.196 nan 8.360 nan 0.000 0.491 171 A N 1.236 123.976 122.820 -0.132 0.000 2.168 171 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 171 A C 2.144 179.686 177.584 -0.071 0.000 1.152 171 A CA 0.734 52.721 52.037 -0.083 0.000 0.716 171 A CB -0.580 18.344 19.000 -0.126 0.000 0.794 171 A HN 0.264 nan 8.150 nan 0.000 0.465 172 L N -0.533 120.678 121.223 -0.021 0.000 2.043 172 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 172 L C 2.227 179.184 176.870 0.145 0.000 1.075 172 L CA 2.668 57.574 54.840 0.109 0.000 0.752 172 L CB -0.821 41.333 42.059 0.158 0.000 0.891 172 L HN 0.668 nan 8.230 nan 0.000 0.432 173 H N -1.894 117.160 119.070 -0.026 0.000 2.290 173 H HA -0.236 4.320 4.556 -0.000 0.000 0.298 173 H C 2.203 177.451 175.328 -0.133 0.000 1.087 173 H CA 1.466 57.486 56.048 -0.047 0.000 1.291 173 H CB 0.314 30.031 29.762 -0.076 0.000 1.369 173 H HN 0.374 nan 8.280 nan 0.000 0.492 174 Q N 0.454 120.128 119.800 -0.209 0.000 2.123 174 Q HA -0.078 4.261 4.340 -0.000 0.000 0.199 174 Q C 2.412 178.170 176.000 -0.403 0.000 0.966 174 Q CA 1.404 56.890 55.803 -0.528 0.000 0.845 174 Q CB -0.350 27.708 28.738 -1.133 0.000 0.907 174 Q HN 0.360 nan 8.270 nan 0.000 0.439 175 V N 0.314 120.061 119.914 -0.279 0.000 2.282 175 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 175 V C 2.154 178.261 176.094 0.021 0.000 1.057 175 V CA 2.288 64.425 62.300 -0.272 0.000 1.032 175 V CB -1.119 30.487 31.823 -0.361 0.000 0.645 175 V HN 0.455 nan 8.190 nan 0.000 0.447 176 T N 0.180 114.826 114.554 0.154 0.000 2.684 176 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 176 T C 1.795 176.568 174.700 0.122 0.000 1.036 176 T CA 2.021 64.269 62.100 0.247 0.000 1.148 176 T CB -0.322 68.716 68.868 0.284 0.000 0.863 176 T HN 0.360 nan 8.240 nan 0.000 0.436 177 I N 0.390 120.982 120.570 0.036 0.000 2.142 177 I HA -0.134 4.035 4.170 -0.000 0.000 0.240 177 I C 2.530 178.655 176.117 0.014 0.000 1.078 177 I CA 0.962 62.257 61.300 -0.008 0.000 1.343 177 I CB -0.383 37.556 38.000 -0.102 0.000 1.046 177 I HN 0.078 nan 8.210 nan 0.000 0.405 178 V N 0.599 120.510 119.914 -0.004 0.000 2.759 178 V HA -0.200 3.920 4.120 -0.000 0.000 0.256 178 V C 2.183 178.355 176.094 0.131 0.000 1.080 178 V CA 1.401 63.741 62.300 0.067 0.000 1.101 178 V CB -0.105 31.779 31.823 0.102 0.000 0.698 178 V HN 0.333 nan 8.190 nan 0.000 0.477 179 M N 0.127 119.821 119.600 0.156 0.000 2.506 179 M HA 0.137 4.617 4.480 -0.000 0.000 0.260 179 M C 1.359 177.758 176.300 0.164 0.000 1.104 179 M CA 0.711 56.144 55.300 0.222 0.000 1.112 179 M CB -0.885 31.914 32.600 0.332 0.000 1.401 179 M HN 0.617 nan 8.290 nan 0.000 0.473 180 S N 1.138 116.904 115.700 0.111 0.000 2.626 180 S HA 0.041 4.511 4.470 -0.000 0.000 0.257 180 S C 1.124 175.756 174.600 0.054 0.000 1.288 180 S CA -0.017 58.218 58.200 0.059 0.000 0.980 180 S CB 0.687 63.903 63.200 0.027 0.000 0.975 180 S HN 0.426 nan 8.310 nan 0.000 0.577 181 D N 0.303 120.718 120.400 0.025 0.000 2.265 181 D HA -0.201 4.439 4.640 -0.000 0.000 0.208 181 D C 1.478 177.803 176.300 0.041 0.000 0.977 181 D CA 1.114 55.131 54.000 0.028 0.000 0.871 181 D CB -0.428 40.375 40.800 0.004 0.000 0.925 181 D HN 0.635 nan 8.370 nan 0.000 0.485 182 R N -0.105 120.422 120.500 0.045 0.000 2.323 182 R HA 0.159 4.498 4.340 -0.000 0.000 0.198 182 R C 2.158 178.507 176.300 0.082 0.000 0.988 182 R CA 0.526 56.662 56.100 0.060 0.000 1.041 182 R CB -0.112 30.224 30.300 0.060 0.000 0.926 182 R HN 0.319 nan 8.270 nan 0.000 0.476 183 G N 0.740 109.590 108.800 0.084 0.000 2.484 183 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.218 183 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.218 183 G C 0.742 175.706 174.900 0.106 0.000 1.130 183 G CA 0.276 45.437 45.100 0.102 0.000 0.784 183 G HN 0.165 nan 8.290 nan 0.000 0.543 184 I N 1.610 122.237 120.570 0.096 0.000 2.595 184 I HA 0.250 4.420 4.170 -0.000 0.000 0.275 184 I C -2.653 173.533 176.117 0.116 0.000 1.092 184 I CA -2.098 59.261 61.300 0.097 0.000 1.145 184 I CB 2.261 40.310 38.000 0.081 0.000 1.276 184 I HN -0.171 nan 8.210 nan 0.000 0.497 185 P HA 0.078 nan 4.420 nan 0.000 0.269 185 P C 0.735 178.144 177.300 0.182 0.000 1.209 185 P CA 0.032 63.230 63.100 0.164 0.000 0.776 185 P CB 1.199 33.027 31.700 0.213 0.000 0.876 186 A N 2.368 125.226 122.820 0.063 0.000 1.930 186 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 186 A C 1.005 178.435 177.584 -0.257 0.000 1.175 186 A CA 2.138 54.150 52.037 -0.043 0.000 0.627 186 A CB -0.933 17.992 19.000 -0.126 0.000 0.815 186 A HN 0.668 nan 8.150 nan 0.000 0.443 187 T N -6.851 107.588 114.554 -0.191 0.000 2.792 187 T HA 0.478 4.828 4.350 -0.000 0.000 0.303 187 T C 0.256 174.891 174.700 -0.108 0.000 1.310 187 T CA -0.441 61.394 62.100 -0.442 0.000 1.007 187 T CB 0.276 69.082 68.868 -0.103 0.000 1.335 187 T HN 0.043 nan 8.240 nan 0.000 0.504 188 Y N 0.593 120.870 120.300 -0.038 0.000 2.403 188 Y HA 0.118 4.667 4.550 -0.000 0.000 0.291 188 Y C 2.676 178.472 175.900 -0.172 0.000 1.143 188 Y CA 0.673 58.665 58.100 -0.180 0.000 1.257 188 Y CB -0.570 37.648 38.460 -0.403 0.000 0.984 188 Y HN 0.522 nan 8.280 nan 0.000 0.550 189 R N -1.017 119.487 120.500 0.006 0.000 2.240 189 R HA 0.002 4.342 4.340 -0.000 0.000 0.203 189 R C 0.278 176.337 176.300 -0.401 0.000 1.011 189 R CA 0.628 56.615 56.100 -0.189 0.000 1.007 189 R CB -0.050 30.003 30.300 -0.413 0.000 0.911 189 R HN 0.416 nan 8.270 nan 0.000 0.468 190 H N 0.326 119.406 119.070 0.016 0.000 2.472 190 H HA 0.226 4.782 4.556 -0.000 0.000 0.287 190 H C 0.162 175.497 175.328 0.012 0.000 1.112 190 H CA -0.015 56.016 56.048 -0.029 0.000 1.021 190 H CB 0.153 29.880 29.762 -0.058 0.000 1.635 190 H HN 0.178 nan 8.280 nan 0.000 0.559 191 M N -1.215 118.506 119.600 0.201 0.000 2.619 191 M HA 0.455 4.935 4.480 -0.000 0.000 0.297 191 M C -1.172 175.347 176.300 0.365 0.000 1.229 191 M CA -1.002 54.411 55.300 0.189 0.000 0.860 191 M CB 2.751 35.514 32.600 0.273 0.000 1.741 191 M HN -0.168 nan 8.290 nan 0.000 0.462 192 H N 0.159 119.407 119.070 0.296 0.000 2.509 192 H HA 0.774 5.329 4.556 -0.000 0.000 0.359 192 H C -0.132 174.983 175.328 -0.354 0.000 1.253 192 H CA -0.242 55.851 56.048 0.076 0.000 1.373 192 H CB 1.439 31.168 29.762 -0.055 0.000 1.555 192 H HN 0.935 nan 8.280 nan 0.000 0.586 193 G N -0.137 108.093 108.800 -0.950 0.000 2.519 193 G HA2 0.566 4.526 3.960 -0.000 0.000 0.307 193 G HA3 0.566 4.526 3.960 -0.000 0.000 0.307 193 G C -1.639 172.637 174.900 -1.039 0.000 1.266 193 G CA -0.483 43.632 45.100 -1.643 0.000 0.970 193 G HN 0.313 nan 8.290 nan 0.000 0.481 194 F N -0.501 119.334 119.950 -0.191 0.000 2.619 194 F HA 0.488 5.014 4.527 -0.000 0.000 0.308 194 F C 1.147 176.967 175.800 0.034 0.000 1.097 194 F CA -0.455 57.502 58.000 -0.073 0.000 0.953 194 F CB 2.378 41.282 39.000 -0.160 0.000 1.287 194 F HN 0.616 nan 8.300 nan 0.000 0.446 195 G N 0.191 109.180 108.800 0.315 0.000 2.484 195 G HA2 0.114 4.074 3.960 -0.000 0.000 0.218 195 G HA3 0.114 4.074 3.960 -0.000 0.000 0.218 195 G C 0.940 176.024 174.900 0.307 0.000 1.130 195 G CA 0.990 46.336 45.100 0.410 0.000 0.784 195 G HN 0.732 nan 8.290 nan 0.000 0.543 196 S N -0.948 114.817 115.700 0.108 0.000 1.577 196 S HA -0.243 4.227 4.470 -0.000 0.000 0.240 196 S C 0.864 175.327 174.600 -0.229 0.000 0.755 196 S CA 1.320 59.431 58.200 -0.148 0.000 1.398 196 S CB -1.299 61.744 63.200 -0.261 0.000 1.552 196 S HN 0.695 nan 8.310 nan 0.000 0.510 197 H N 2.433 121.478 119.070 -0.041 0.000 2.852 197 H HA 0.216 4.771 4.556 -0.000 0.000 0.362 197 H C 0.554 175.736 175.328 -0.243 0.000 1.122 197 H CA 1.023 56.928 56.048 -0.238 0.000 1.419 197 H CB -0.057 29.356 29.762 -0.582 0.000 1.401 197 H HN 0.396 nan 8.280 nan 0.000 0.609 198 T N 3.835 118.326 114.554 -0.106 0.000 2.853 198 T HA 0.166 4.516 4.350 -0.000 0.000 0.298 198 T C 0.274 174.947 174.700 -0.046 0.000 0.978 198 T CA 0.276 62.352 62.100 -0.040 0.000 1.152 198 T CB -0.181 68.791 68.868 0.173 0.000 0.914 198 T HN 0.237 nan 8.240 nan 0.000 0.539 199 F N 0.707 120.786 119.950 0.216 0.000 2.732 199 F HA 0.663 5.190 4.527 -0.000 0.000 0.394 199 F C 0.841 176.853 175.800 0.352 0.000 1.194 199 F CA -0.921 57.270 58.000 0.318 0.000 1.127 199 F CB 1.237 40.475 39.000 0.396 0.000 1.470 199 F HN 0.524 nan 8.300 nan 0.000 0.505 200 S N -0.262 115.739 115.700 0.503 0.000 2.570 200 S HA 0.719 5.189 4.470 -0.000 0.000 0.286 200 S C -1.581 173.171 174.600 0.253 0.000 1.099 200 S CA -0.683 57.694 58.200 0.296 0.000 0.913 200 S CB 1.809 65.115 63.200 0.177 0.000 1.085 200 S HN 0.235 nan 8.310 nan 0.000 0.480 201 F N 1.326 121.354 119.950 0.130 0.000 2.469 201 F HA 0.619 5.146 4.527 -0.000 0.000 0.332 201 F C -0.239 175.621 175.800 0.101 0.000 1.103 201 F CA -2.022 56.051 58.000 0.123 0.000 0.979 201 F CB 1.589 40.686 39.000 0.162 0.000 1.137 201 F HN 0.445 nan 8.300 nan 0.000 0.463 202 I N 4.174 124.892 120.570 0.246 0.000 2.436 202 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 202 I C -0.161 176.010 176.117 0.090 0.000 1.010 202 I CA -0.876 60.495 61.300 0.118 0.000 1.098 202 I CB 1.252 39.277 38.000 0.042 0.000 1.266 202 I HN 0.526 nan 8.210 nan 0.000 0.434 203 N N 3.228 121.991 118.700 0.105 0.000 2.538 203 N HA 0.215 4.955 4.740 -0.000 0.000 0.292 203 N C 0.667 176.182 175.510 0.008 0.000 1.262 203 N CA -0.575 52.509 53.050 0.057 0.000 0.976 203 N CB 0.357 38.906 38.487 0.104 0.000 1.161 203 N HN 0.324 nan 8.380 nan 0.000 0.598 204 S N -1.129 114.563 115.700 -0.014 0.000 2.420 204 S HA -0.112 4.357 4.470 -0.000 0.000 0.237 204 S C 0.180 174.759 174.600 -0.035 0.000 1.023 204 S CA 1.187 59.367 58.200 -0.033 0.000 0.991 204 S CB -0.407 62.770 63.200 -0.039 0.000 0.792 204 S HN 0.564 nan 8.310 nan 0.000 0.488 205 D N 0.638 121.025 120.400 -0.022 0.000 2.342 205 D HA 0.175 4.815 4.640 -0.000 0.000 0.221 205 D C 0.246 176.526 176.300 -0.033 0.000 1.101 205 D CA -0.014 53.970 54.000 -0.028 0.000 0.837 205 D CB -0.106 40.681 40.800 -0.022 0.000 0.938 205 D HN 0.110 nan 8.370 nan 0.000 0.508 206 N N 1.226 119.908 118.700 -0.030 0.000 2.741 206 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 206 N C -0.668 174.806 175.510 -0.060 0.000 1.112 206 N CA 0.656 53.684 53.050 -0.037 0.000 0.750 206 N CB -0.906 37.557 38.487 -0.041 0.000 1.119 206 N HN 0.460 nan 8.380 nan 0.000 0.561 207 E N 0.258 120.421 120.200 -0.062 0.000 2.331 207 E HA 0.218 4.568 4.350 -0.000 0.000 0.272 207 E C 0.545 177.021 176.600 -0.208 0.000 1.036 207 E CA -0.453 55.854 56.400 -0.154 0.000 0.864 207 E CB 1.390 30.991 29.700 -0.165 0.000 1.035 207 E HN 0.159 nan 8.360 nan 0.000 0.408 208 R N 2.693 122.968 120.500 -0.375 0.000 2.460 208 R HA 0.328 4.667 4.340 -0.000 0.000 0.303 208 R C -1.470 174.427 176.300 -0.672 0.000 0.968 208 R CA -0.423 55.437 56.100 -0.401 0.000 0.889 208 R CB 0.664 30.696 30.300 -0.446 0.000 1.123 208 R HN 0.512 nan 8.270 nan 0.000 0.455 209 Y N 2.132 122.313 120.300 -0.197 0.000 2.462 209 Y HA 0.354 4.904 4.550 -0.000 0.000 0.346 209 Y C -0.737 175.025 175.900 -0.230 0.000 0.976 209 Y CA -0.676 57.319 58.100 -0.174 0.000 1.044 209 Y CB 1.370 39.876 38.460 0.077 0.000 1.230 209 Y HN 0.533 nan 8.280 nan 0.000 0.455 210 W N 2.370 123.810 121.300 0.234 0.000 2.316 210 W HA 0.615 5.275 4.660 -0.000 0.000 0.321 210 W C -0.572 176.094 176.519 0.244 0.000 1.203 210 W CA -0.722 56.779 57.345 0.260 0.000 1.214 210 W CB 1.108 30.763 29.460 0.325 0.000 1.169 210 W HN 0.250 nan 8.180 nan 0.000 0.561 211 V N 3.875 123.969 119.914 0.301 0.000 2.925 211 V HA 0.505 4.625 4.120 -0.000 0.000 0.311 211 V C -1.000 174.814 176.094 -0.466 0.000 1.104 211 V CA -1.173 60.982 62.300 -0.243 0.000 0.954 211 V CB 1.990 33.222 31.823 -0.986 0.000 1.022 211 V HN 0.395 nan 8.190 nan 0.000 0.427 212 K N 4.820 124.844 120.400 -0.627 0.000 2.270 212 K HA 0.559 4.879 4.320 -0.000 0.000 0.255 212 K C -1.422 174.870 176.600 -0.514 0.000 0.936 212 K CA -0.194 55.746 56.287 -0.580 0.000 0.809 212 K CB 1.930 34.072 32.500 -0.597 0.000 1.131 212 K HN 0.541 nan 8.250 nan 0.000 0.427 213 F N 2.070 121.943 119.950 -0.130 0.000 2.420 213 F HA 0.341 4.868 4.527 -0.000 0.000 0.342 213 F C 0.833 176.417 175.800 -0.360 0.000 1.113 213 F CA -0.413 57.488 58.000 -0.165 0.000 1.059 213 F CB 1.137 40.105 39.000 -0.053 0.000 1.128 213 F HN 0.267 nan 8.300 nan 0.000 0.475 214 H N 3.408 122.339 119.070 -0.232 0.000 2.667 214 H HA 0.380 4.936 4.556 -0.000 0.000 0.353 214 H C -1.493 173.471 175.328 -0.607 0.000 1.072 214 H CA -0.730 55.113 56.048 -0.341 0.000 1.214 214 H CB 2.101 31.745 29.762 -0.197 0.000 1.600 214 H HN 0.434 nan 8.280 nan 0.000 0.527 215 F N 1.860 121.648 119.950 -0.270 0.000 2.445 215 F HA 0.231 4.758 4.527 -0.000 0.000 0.348 215 F C 0.112 175.882 175.800 -0.050 0.000 1.125 215 F CA -0.812 57.145 58.000 -0.071 0.000 0.983 215 F CB 1.515 40.460 39.000 -0.093 0.000 1.198 215 F HN 0.142 nan 8.300 nan 0.000 0.436 216 V N 2.606 122.627 119.914 0.177 0.000 2.383 216 V HA 0.213 4.333 4.120 -0.000 0.000 0.275 216 V C 0.377 176.631 176.094 0.267 0.000 1.036 216 V CA -0.650 61.661 62.300 0.019 0.000 0.889 216 V CB 1.398 33.156 31.823 -0.108 0.000 0.985 216 V HN 0.783 nan 8.190 nan 0.000 0.459 217 S N 3.937 119.908 115.700 0.451 0.000 2.515 217 S HA 0.056 4.526 4.470 -0.000 0.000 0.285 217 S C 1.072 175.577 174.600 -0.158 0.000 1.265 217 S CA -0.139 57.973 58.200 -0.146 0.000 1.079 217 S CB 0.530 63.693 63.200 -0.061 0.000 0.877 217 S HN 0.797 nan 8.310 nan 0.000 0.493 218 Q N 2.967 122.562 119.800 -0.342 0.000 2.435 218 Q HA -0.055 4.285 4.340 -0.000 0.000 0.207 218 Q C 1.306 177.198 176.000 -0.180 0.000 0.956 218 Q CA 0.791 56.480 55.803 -0.190 0.000 0.917 218 Q CB 0.048 28.682 28.738 -0.174 0.000 0.997 218 Q HN 0.732 nan 8.270 nan 0.000 0.497 219 Q N -0.411 119.221 119.800 -0.280 0.000 2.432 219 Q HA 0.148 4.487 4.340 -0.000 0.000 0.205 219 Q C 0.507 176.508 176.000 0.002 0.000 0.945 219 Q CA 0.614 56.307 55.803 -0.183 0.000 0.924 219 Q CB 0.677 29.160 28.738 -0.424 0.000 1.016 219 Q HN 0.368 nan 8.270 nan 0.000 0.503 220 G N 0.244 109.044 108.800 -0.000 0.000 2.781 220 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.683 220 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.683 220 G C -0.814 174.125 174.900 0.066 0.000 1.390 220 G CA -0.849 44.289 45.100 0.063 0.000 0.850 220 G HN 0.067 nan 8.290 nan 0.000 0.557 221 I N 1.043 121.619 120.570 0.010 0.000 2.395 221 I HA 0.417 4.586 4.170 -0.000 0.000 0.289 221 I C 0.783 176.894 176.117 -0.009 0.000 1.023 221 I CA 0.248 61.528 61.300 -0.032 0.000 1.350 221 I CB 1.066 39.021 38.000 -0.075 0.000 1.409 221 I HN 0.495 nan 8.210 nan 0.000 0.507 222 K N 5.620 126.015 120.400 -0.008 0.000 2.464 222 K HA 0.506 4.826 4.320 -0.000 0.000 0.253 222 K C -0.994 175.583 176.600 -0.037 0.000 0.933 222 K CA -0.873 55.359 56.287 -0.092 0.000 0.801 222 K CB 2.589 34.895 32.500 -0.323 0.000 1.271 222 K HN 0.469 nan 8.250 nan 0.000 0.430 223 N N 1.898 120.578 118.700 -0.033 0.000 2.405 223 N HA 0.527 5.267 4.740 -0.000 0.000 0.285 223 N C -1.140 174.370 175.510 0.000 0.000 1.262 223 N CA -0.669 52.384 53.050 0.005 0.000 0.773 223 N CB 1.686 40.184 38.487 0.017 0.000 1.490 223 N HN 0.301 nan 8.380 nan 0.000 0.486 224 L N 0.778 122.018 121.223 0.028 0.000 2.329 224 L HA 0.434 4.774 4.340 -0.000 0.000 0.279 224 L C 0.941 177.833 176.870 0.037 0.000 1.014 224 L CA -0.758 54.099 54.840 0.028 0.000 0.814 224 L CB 1.697 43.784 42.059 0.047 0.000 1.257 224 L HN 0.626 nan 8.230 nan 0.000 0.424 225 S N -0.125 115.593 115.700 0.029 0.000 2.608 225 S HA 0.087 4.556 4.470 -0.000 0.000 0.261 225 S C 0.569 175.197 174.600 0.046 0.000 1.314 225 S CA -0.584 57.639 58.200 0.037 0.000 0.992 225 S CB 1.007 64.225 63.200 0.030 0.000 0.935 225 S HN 0.616 nan 8.310 nan 0.000 0.564 226 D N 1.249 121.682 120.400 0.055 0.000 2.123 226 D HA -0.060 4.580 4.640 -0.000 0.000 0.196 226 D C 2.201 178.529 176.300 0.047 0.000 0.992 226 D CA 1.856 55.891 54.000 0.058 0.000 0.833 226 D CB -0.863 39.979 40.800 0.069 0.000 0.954 226 D HN 0.695 nan 8.370 nan 0.000 0.455 227 A N 0.877 123.721 122.820 0.041 0.000 1.873 227 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 227 A C 2.105 179.706 177.584 0.029 0.000 1.186 227 A CA 1.523 53.580 52.037 0.033 0.000 0.616 227 A CB -0.537 18.481 19.000 0.029 0.000 0.823 227 A HN 0.197 nan 8.150 nan 0.000 0.442 228 E N -0.238 119.979 120.200 0.027 0.000 2.058 228 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 228 E C 2.324 178.942 176.600 0.030 0.000 0.997 228 E CA 1.081 57.494 56.400 0.023 0.000 0.801 228 E CB -0.308 29.402 29.700 0.018 0.000 0.746 228 E HN 0.609 nan 8.360 nan 0.000 0.450 229 A N 1.117 123.960 122.820 0.038 0.000 1.902 229 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 229 A C 2.414 180.020 177.584 0.037 0.000 1.181 229 A CA 1.720 53.783 52.037 0.044 0.000 0.623 229 A CB -1.194 17.836 19.000 0.049 0.000 0.818 229 A HN 0.370 nan 8.150 nan 0.000 0.443 230 G N -0.448 108.373 108.800 0.034 0.000 2.459 230 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 230 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 230 G C 1.486 176.401 174.900 0.026 0.000 1.183 230 G CA 1.144 46.262 45.100 0.030 0.000 0.776 230 G HN 0.665 nan 8.290 nan 0.000 0.552 231 E N -0.246 119.969 120.200 0.024 0.000 2.085 231 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 231 E C 2.415 179.028 176.600 0.022 0.000 0.994 231 E CA 1.232 57.644 56.400 0.020 0.000 0.801 231 E CB -0.203 29.508 29.700 0.018 0.000 0.743 231 E HN 0.343 nan 8.360 nan 0.000 0.453 232 L N 0.413 121.652 121.223 0.026 0.000 2.027 232 L HA -0.122 4.217 4.340 -0.000 0.000 0.206 232 L C 2.304 179.193 176.870 0.031 0.000 1.074 232 L CA 1.308 56.166 54.840 0.030 0.000 0.745 232 L CB -0.537 41.545 42.059 0.039 0.000 0.898 232 L HN 0.018 nan 8.230 nan 0.000 0.433 233 V N 0.593 120.525 119.914 0.030 0.000 2.324 233 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 233 V C 2.659 178.766 176.094 0.022 0.000 1.060 233 V CA 1.879 64.195 62.300 0.025 0.000 1.042 233 V CB -1.773 30.063 31.823 0.022 0.000 0.650 233 V HN 0.667 nan 8.190 nan 0.000 0.450 234 G N -0.359 108.454 108.800 0.021 0.000 2.450 234 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 234 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 234 G C 1.368 176.278 174.900 0.018 0.000 1.130 234 G CA 1.288 46.399 45.100 0.018 0.000 0.760 234 G HN 0.652 nan 8.290 nan 0.000 0.557 235 N N -0.751 117.961 118.700 0.019 0.000 2.409 235 N HA 0.123 4.863 4.740 -0.000 0.000 0.174 235 N C -0.537 174.986 175.510 0.021 0.000 1.037 235 N CA 0.470 53.531 53.050 0.019 0.000 0.898 235 N CB 0.454 38.952 38.487 0.018 0.000 1.010 235 N HN 0.129 nan 8.380 nan 0.000 0.445 236 D N -0.937 119.478 120.400 0.025 0.000 2.548 236 D HA 0.220 4.860 4.640 -0.000 0.000 0.214 236 D C -0.417 175.903 176.300 0.033 0.000 1.345 236 D CA -0.390 53.628 54.000 0.029 0.000 0.945 236 D CB 0.797 41.617 40.800 0.033 0.000 1.499 236 D HN -0.263 nan 8.370 nan 0.000 0.579 237 R N 1.248 121.764 120.500 0.028 0.000 2.313 237 R HA 0.162 4.502 4.340 -0.000 0.000 0.199 237 R C 0.492 176.813 176.300 0.034 0.000 0.958 237 R CA 0.669 56.784 56.100 0.026 0.000 1.047 237 R CB 0.344 30.657 30.300 0.021 0.000 0.955 237 R HN 0.306 nan 8.270 nan 0.000 0.481 238 E N -1.117 119.110 120.200 0.045 0.000 2.789 238 E HA 0.094 4.444 4.350 -0.000 0.000 0.208 238 E C 0.677 177.327 176.600 0.084 0.000 0.988 238 E CA 0.172 56.607 56.400 0.059 0.000 1.092 238 E CB 0.654 30.379 29.700 0.041 0.000 1.066 238 E HN 0.184 nan 8.360 nan 0.000 0.465 239 S N 0.313 116.074 115.700 0.103 0.000 2.374 239 S HA -0.227 4.242 4.470 -0.000 0.000 0.227 239 S C 1.720 176.382 174.600 0.105 0.000 1.037 239 S CA 1.134 59.406 58.200 0.119 0.000 1.024 239 S CB -0.587 62.715 63.200 0.170 0.000 0.861 239 S HN 0.479 nan 8.310 nan 0.000 0.456 240 H N 0.431 119.439 119.070 -0.104 0.000 2.415 240 H HA 0.069 4.625 4.556 -0.000 0.000 0.297 240 H C 2.539 177.857 175.328 -0.018 0.000 1.048 240 H CA 1.233 57.135 56.048 -0.243 0.000 1.365 240 H CB -0.085 29.231 29.762 -0.743 0.000 1.421 240 H HN 0.471 nan 8.280 nan 0.000 0.533 241 Q N 2.073 122.011 119.800 0.230 0.000 2.061 241 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 241 Q C 2.359 178.459 176.000 0.167 0.000 0.984 241 Q CA 1.615 57.566 55.803 0.246 0.000 0.846 241 Q CB -0.161 28.690 28.738 0.189 0.000 0.902 241 Q HN 0.239 nan 8.270 nan 0.000 0.421 242 R N -0.172 120.394 120.500 0.111 0.000 2.083 242 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 242 R C 1.954 178.298 176.300 0.073 0.000 1.137 242 R CA 2.052 58.200 56.100 0.081 0.000 0.951 242 R CB -0.619 29.714 30.300 0.056 0.000 0.851 242 R HN 0.556 nan 8.270 nan 0.000 0.434 243 D N -0.241 120.186 120.400 0.044 0.000 2.092 243 D HA -0.223 4.417 4.640 -0.000 0.000 0.193 243 D C 1.939 178.288 176.300 0.081 0.000 0.994 243 D CA 1.431 55.446 54.000 0.025 0.000 0.828 243 D CB -0.071 40.692 40.800 -0.063 0.000 0.963 243 D HN 0.206 nan 8.370 nan 0.000 0.450 244 L N -0.031 121.276 121.223 0.141 0.000 2.017 244 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 244 L C 2.211 179.199 176.870 0.196 0.000 1.073 244 L CA 1.434 56.400 54.840 0.210 0.000 0.745 244 L CB -0.927 41.332 42.059 0.334 0.000 0.894 244 L HN 0.300 nan 8.230 nan 0.000 0.432 245 L N -0.406 120.928 121.223 0.185 0.000 1.989 245 L HA -0.244 4.095 4.340 -0.000 0.000 0.211 245 L C 2.001 178.958 176.870 0.144 0.000 1.071 245 L CA 2.169 57.111 54.840 0.170 0.000 0.749 245 L CB -0.861 41.291 42.059 0.154 0.000 0.890 245 L HN 0.309 nan 8.230 nan 0.000 0.431 246 D N -0.944 119.524 120.400 0.112 0.000 2.144 246 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 246 D C 2.338 178.687 176.300 0.081 0.000 0.978 246 D CA 1.411 55.463 54.000 0.086 0.000 0.833 246 D CB -0.131 40.705 40.800 0.060 0.000 0.961 246 D HN 0.347 nan 8.370 nan 0.000 0.470 247 S N 0.134 115.887 115.700 0.089 0.000 2.368 247 S HA -0.068 4.402 4.470 -0.000 0.000 0.225 247 S C 2.144 176.806 174.600 0.104 0.000 1.030 247 S CA 0.538 58.781 58.200 0.072 0.000 0.999 247 S CB -0.080 63.166 63.200 0.077 0.000 0.844 247 S HN 0.279 nan 8.310 nan 0.000 0.459 248 I N 1.477 122.172 120.570 0.209 0.000 2.286 248 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 248 I C 1.756 178.049 176.117 0.293 0.000 1.104 248 I CA 1.033 62.553 61.300 0.367 0.000 1.397 248 I CB -0.377 37.836 38.000 0.354 0.000 1.072 248 I HN 0.138 nan 8.210 nan 0.000 0.417 249 D N 0.922 121.433 120.400 0.185 0.000 2.310 249 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 249 D C 1.084 177.432 176.300 0.081 0.000 0.965 249 D CA 1.105 55.187 54.000 0.138 0.000 0.879 249 D CB -0.338 40.529 40.800 0.112 0.000 0.921 249 D HN 0.442 nan 8.370 nan 0.000 0.510 250 N N -0.130 118.591 118.700 0.036 0.000 2.204 250 N HA 0.049 4.789 4.740 -0.000 0.000 0.219 250 N C -0.529 174.896 175.510 -0.140 0.000 1.151 250 N CA -0.110 52.923 53.050 -0.028 0.000 0.867 250 N CB 0.614 39.088 38.487 -0.021 0.000 1.043 250 N HN -0.212 nan 8.380 nan 0.000 0.516 251 Q N 0.371 120.021 119.800 -0.250 0.000 2.475 251 Q HA -0.207 4.133 4.340 -0.000 0.000 0.280 251 Q C -1.061 174.427 176.000 -0.853 0.000 1.234 251 Q CA 0.674 55.982 55.803 -0.826 0.000 0.873 251 Q CB -1.633 26.806 28.738 -0.499 0.000 1.256 251 Q HN 0.316 nan 8.270 nan 0.000 0.475 252 D N 0.028 120.130 120.400 -0.497 0.000 2.540 252 D HA 0.215 4.855 4.640 -0.000 0.000 0.251 252 D C -0.828 175.383 176.300 -0.148 0.000 1.159 252 D CA -0.384 53.439 54.000 -0.295 0.000 0.974 252 D CB -0.214 40.507 40.800 -0.132 0.000 0.996 252 D HN 0.209 nan 8.370 nan 0.000 0.512 253 F N 2.998 122.965 119.950 0.029 0.000 2.504 253 F HA 0.264 4.791 4.527 -0.000 0.000 0.369 253 F C -1.284 174.515 175.800 -0.001 0.000 1.082 253 F CA -1.917 56.114 58.000 0.051 0.000 1.216 253 F CB 0.580 39.628 39.000 0.081 0.000 1.108 253 F HN 0.160 nan 8.300 nan 0.000 0.554 254 P HA 0.228 nan 4.420 nan 0.000 0.279 254 P C -1.288 175.947 177.300 -0.107 0.000 1.239 254 P CA -0.540 62.497 63.100 -0.105 0.000 0.789 254 P CB 1.261 32.873 31.700 -0.146 0.000 0.933 255 K N 1.802 121.978 120.400 -0.373 0.000 2.385 255 K HA 0.575 4.895 4.320 -0.000 0.000 0.248 255 K C -0.781 175.503 176.600 -0.528 0.000 0.955 255 K CA -0.521 55.617 56.287 -0.249 0.000 0.816 255 K CB 2.299 34.746 32.500 -0.089 0.000 1.250 255 K HN 0.504 nan 8.250 nan 0.000 0.434 256 W N 0.666 121.759 121.300 -0.345 0.000 2.936 256 W HA 0.280 4.940 4.660 -0.000 0.000 0.338 256 W C -0.680 175.840 176.519 0.002 0.000 1.121 256 W CA -0.675 56.565 57.345 -0.175 0.000 1.209 256 W CB 2.548 31.877 29.460 -0.218 0.000 1.420 256 W HN 0.391 nan 8.180 nan 0.000 0.516 257 T N 3.426 118.164 114.554 0.307 0.000 2.749 257 T HA 0.249 4.599 4.350 -0.000 0.000 0.287 257 T C -0.444 174.433 174.700 0.295 0.000 0.970 257 T CA -0.534 61.729 62.100 0.272 0.000 0.980 257 T CB 1.021 69.972 68.868 0.138 0.000 0.924 257 T HN 0.191 nan 8.240 nan 0.000 0.456 258 L N 4.842 126.283 121.223 0.364 0.000 2.313 258 L HA 0.461 4.801 4.340 -0.000 0.000 0.282 258 L C -0.275 176.610 176.870 0.025 0.000 1.092 258 L CA 0.361 55.257 54.840 0.093 0.000 0.831 258 L CB -0.148 42.101 42.059 0.317 0.000 1.159 258 L HN 0.496 nan 8.230 nan 0.000 0.442 259 K N 4.630 124.973 120.400 -0.095 0.000 2.385 259 K HA 0.786 5.106 4.320 -0.000 0.000 0.248 259 K C -1.324 175.228 176.600 -0.079 0.000 0.955 259 K CA -0.993 55.235 56.287 -0.100 0.000 0.816 259 K CB 2.545 34.949 32.500 -0.159 0.000 1.250 259 K HN 0.501 nan 8.250 nan 0.000 0.434 260 V N -1.431 118.414 119.914 -0.114 0.000 2.914 260 V HA 0.466 4.586 4.120 -0.000 0.000 0.314 260 V C -0.996 175.010 176.094 -0.147 0.000 1.084 260 V CA -1.047 61.176 62.300 -0.128 0.000 0.963 260 V CB 1.745 33.443 31.823 -0.208 0.000 1.025 260 V HN 0.708 nan 8.190 nan 0.000 0.432 261 Q N 2.751 122.496 119.800 -0.092 0.000 2.271 261 Q HA 0.716 5.055 4.340 -0.000 0.000 0.258 261 Q C -1.145 174.892 176.000 0.063 0.000 0.936 261 Q CA -0.412 55.415 55.803 0.040 0.000 0.909 261 Q CB 2.507 31.387 28.738 0.237 0.000 1.253 261 Q HN 0.766 nan 8.270 nan 0.000 0.440 262 I N 2.860 123.457 120.570 0.045 0.000 2.439 262 I HA 0.355 4.525 4.170 -0.000 0.000 0.285 262 I C -0.721 175.404 176.117 0.014 0.000 1.021 262 I CA -0.412 60.853 61.300 -0.058 0.000 1.091 262 I CB 1.505 39.232 38.000 -0.456 0.000 1.242 262 I HN 0.483 nan 8.210 nan 0.000 0.439 263 M N 9.002 128.585 119.600 -0.028 0.000 2.114 263 M HA 0.530 5.009 4.480 -0.000 0.000 0.332 263 M C -2.645 173.728 176.300 0.122 0.000 1.014 263 M CA -1.664 53.496 55.300 -0.233 0.000 0.956 263 M CB 1.875 33.897 32.600 -0.964 0.000 1.551 263 M HN 0.117 nan 8.290 nan 0.000 0.427 264 P HA -0.002 nan 4.420 nan 0.000 0.266 264 P C 0.058 177.369 177.300 0.018 0.000 1.195 264 P CA 0.301 63.508 63.100 0.178 0.000 0.768 264 P CB 0.460 32.271 31.700 0.184 0.000 0.838 265 E N 2.960 123.045 120.200 -0.192 0.000 2.136 265 E HA -0.323 4.027 4.350 -0.000 0.000 0.202 265 E C 1.699 178.374 176.600 0.125 0.000 1.019 265 E CA 1.884 58.187 56.400 -0.161 0.000 0.819 265 E CB -0.353 29.164 29.700 -0.306 0.000 0.739 265 E HN 0.514 nan 8.360 nan 0.000 0.458 266 A N 0.718 123.563 122.820 0.042 0.000 2.019 266 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 266 A C 1.632 179.249 177.584 0.055 0.000 1.164 266 A CA 1.699 53.768 52.037 0.053 0.000 0.644 266 A CB -0.336 18.675 19.000 0.017 0.000 0.805 266 A HN 0.258 nan 8.150 nan 0.000 0.449 267 D N 0.137 120.571 120.400 0.057 0.000 2.218 267 D HA -0.007 4.633 4.640 -0.000 0.000 0.204 267 D C 2.128 178.385 176.300 -0.071 0.000 0.976 267 D CA 1.199 55.205 54.000 0.009 0.000 0.853 267 D CB -0.271 40.558 40.800 0.048 0.000 0.939 267 D HN 0.435 nan 8.370 nan 0.000 0.481 268 A N 0.790 123.595 122.820 -0.026 0.000 1.978 268 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 268 A C 2.210 179.716 177.584 -0.130 0.000 1.170 268 A CA 1.909 53.848 52.037 -0.163 0.000 0.636 268 A CB -0.616 18.354 19.000 -0.050 0.000 0.810 268 A HN 0.237 nan 8.150 nan 0.000 0.448 269 A N -0.937 121.864 122.820 -0.032 0.000 2.209 269 A HA 0.132 4.452 4.320 -0.000 0.000 0.212 269 A C 1.994 179.530 177.584 -0.079 0.000 1.158 269 A CA 1.977 53.992 52.037 -0.037 0.000 0.742 269 A CB -0.614 18.388 19.000 0.003 0.000 0.790 269 A HN 0.800 nan 8.150 nan 0.000 0.472 270 T N -3.600 110.887 114.554 -0.113 0.000 2.969 270 T HA 0.285 4.634 4.350 -0.000 0.000 0.258 270 T C 0.479 175.062 174.700 -0.196 0.000 0.962 270 T CA 0.444 62.471 62.100 -0.122 0.000 0.903 270 T CB -1.057 67.762 68.868 -0.081 0.000 1.177 270 T HN 0.582 nan 8.240 nan 0.000 0.511 271 V N 1.551 121.282 119.914 -0.304 0.000 2.843 271 V HA 0.377 4.496 4.120 -0.000 0.000 0.305 271 V C -1.054 174.710 176.094 -0.549 0.000 1.065 271 V CA -1.338 60.640 62.300 -0.538 0.000 1.116 271 V CB 0.386 31.687 31.823 -0.871 0.000 0.968 271 V HN 0.117 nan 8.190 nan 0.000 0.487 272 P HA 0.110 nan 4.420 nan 0.000 0.245 272 P C -0.331 176.867 177.300 -0.171 0.000 1.212 272 P CA 0.648 63.590 63.100 -0.263 0.000 0.774 272 P CB -0.311 31.323 31.700 -0.110 0.000 0.999 273 Y N -2.005 118.265 120.300 -0.051 0.000 2.468 273 Y HA 0.609 5.159 4.550 -0.000 0.000 0.342 273 Y C 0.238 176.087 175.900 -0.085 0.000 1.021 273 Y CA -2.622 55.452 58.100 -0.043 0.000 1.079 273 Y CB -0.116 38.344 38.460 0.001 0.000 1.226 273 Y HN -0.345 nan 8.280 nan 0.000 0.460 274 N N 4.175 122.931 118.700 0.094 0.000 2.434 274 N HA 0.089 4.829 4.740 -0.000 0.000 0.268 274 N C -1.835 173.684 175.510 0.015 0.000 1.256 274 N CA -2.067 50.985 53.050 0.004 0.000 0.914 274 N CB 0.731 39.245 38.487 0.046 0.000 1.088 274 N HN 0.528 nan 8.380 nan 0.000 0.478 275 P HA 0.024 nan 4.420 nan 0.000 0.241 275 P C -0.055 177.062 177.300 -0.304 0.000 1.191 275 P CA 0.718 63.669 63.100 -0.247 0.000 0.771 275 P CB -0.007 31.215 31.700 -0.797 0.000 0.929 276 F N -0.781 119.193 119.950 0.041 0.000 2.661 276 F HA 0.262 4.789 4.527 -0.000 0.000 0.306 276 F C 0.734 176.532 175.800 -0.004 0.000 1.094 276 F CA -1.150 56.824 58.000 -0.043 0.000 1.254 276 F CB -0.308 38.599 39.000 -0.155 0.000 1.040 276 F HN -0.172 nan 8.300 nan 0.000 0.562 277 D N 1.479 121.960 120.400 0.135 0.000 2.339 277 D HA 0.058 4.698 4.640 -0.000 0.000 0.241 277 D C 1.101 177.435 176.300 0.056 0.000 1.183 277 D CA 0.044 54.101 54.000 0.095 0.000 0.859 277 D CB 1.197 42.048 40.800 0.085 0.000 1.067 277 D HN 0.146 nan 8.370 nan 0.000 0.484 278 L N 4.037 125.291 121.223 0.050 0.000 2.376 278 L HA -0.044 4.296 4.340 -0.000 0.000 0.219 278 L C 2.063 178.918 176.870 -0.025 0.000 1.133 278 L CA 1.530 56.370 54.840 -0.001 0.000 0.816 278 L CB -0.515 41.568 42.059 0.040 0.000 0.933 278 L HN 0.586 nan 8.230 nan 0.000 0.449 279 T N -3.817 110.743 114.554 0.011 0.000 3.194 279 T HA 0.078 4.428 4.350 -0.000 0.000 0.251 279 T C 0.655 175.400 174.700 0.075 0.000 1.132 279 T CA 0.083 62.188 62.100 0.007 0.000 1.028 279 T CB -0.309 68.583 68.868 0.040 0.000 0.976 279 T HN 0.224 nan 8.240 nan 0.000 0.535 280 K N 1.053 121.474 120.400 0.035 0.000 2.435 280 K HA 0.623 4.943 4.320 -0.000 0.000 0.251 280 K C -0.586 176.000 176.600 -0.023 0.000 0.954 280 K CA -1.077 55.254 56.287 0.073 0.000 0.820 280 K CB 2.972 35.512 32.500 0.066 0.000 1.292 280 K HN 0.107 nan 8.250 nan 0.000 0.436 281 V N -1.794 118.116 119.914 -0.006 0.000 3.109 281 V HA 0.558 4.678 4.120 -0.000 0.000 0.317 281 V C -0.931 175.151 176.094 -0.020 0.000 1.074 281 V CA -0.828 61.434 62.300 -0.064 0.000 1.033 281 V CB 0.831 32.644 31.823 -0.018 0.000 1.111 281 V HN 0.600 nan 8.190 nan 0.000 0.458 282 W N 1.040 122.263 121.300 -0.128 0.000 2.331 282 W HA 0.552 5.212 4.660 -0.000 0.000 0.306 282 W C -2.470 174.046 176.519 -0.006 0.000 1.162 282 W CA -2.925 54.317 57.345 -0.172 0.000 1.232 282 W CB -0.212 29.262 29.460 0.024 0.000 1.235 282 W HN 0.438 nan 8.180 nan 0.000 0.479 283 P HA -0.073 nan 4.420 nan 0.000 0.264 283 P C 0.784 178.274 177.300 0.316 0.000 1.193 283 P CA 0.584 63.773 63.100 0.149 0.000 0.763 283 P CB 0.645 32.383 31.700 0.064 0.000 0.810 284 H N 2.372 121.492 119.070 0.084 0.000 2.422 284 H HA -0.106 4.450 4.556 -0.000 0.000 0.298 284 H C 1.500 176.846 175.328 0.030 0.000 1.098 284 H CA 1.438 57.522 56.048 0.060 0.000 1.315 284 H CB -0.260 29.509 29.762 0.011 0.000 1.382 284 H HN 0.450 nan 8.280 nan 0.000 0.523 285 K N 0.021 120.506 120.400 0.142 0.000 2.152 285 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 285 K C 1.215 177.801 176.600 -0.022 0.000 1.048 285 K CA 1.451 57.767 56.287 0.047 0.000 0.933 285 K CB 0.179 32.699 32.500 0.032 0.000 0.721 285 K HN 0.309 nan 8.250 nan 0.000 0.447 286 D N -1.008 119.381 120.400 -0.018 0.000 2.201 286 D HA -0.041 4.599 4.640 -0.000 0.000 0.209 286 D C -0.140 175.782 176.300 -0.630 0.000 0.961 286 D CA 1.124 54.971 54.000 -0.256 0.000 0.861 286 D CB 0.278 41.059 40.800 -0.033 0.000 0.997 286 D HN 0.100 nan 8.370 nan 0.000 0.486 287 Y N -0.038 120.314 120.300 0.087 0.000 2.609 287 Y HA 0.335 4.885 4.550 -0.000 0.000 0.350 287 Y C -2.370 173.528 175.900 -0.003 0.000 1.050 287 Y CA -2.488 55.651 58.100 0.063 0.000 1.290 287 Y CB 1.645 40.203 38.460 0.164 0.000 1.094 287 Y HN -0.207 nan 8.280 nan 0.000 0.583 288 P HA -0.051 nan 4.420 nan 0.000 0.267 288 P C -0.382 176.825 177.300 -0.154 0.000 1.200 288 P CA -0.132 62.925 63.100 -0.072 0.000 0.772 288 P CB 0.742 32.408 31.700 -0.056 0.000 0.855 289 L N 3.643 124.693 121.223 -0.289 0.000 2.462 289 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 289 L C 0.347 177.088 176.870 -0.216 0.000 1.166 289 L CA 0.385 55.025 54.840 -0.335 0.000 0.880 289 L CB -0.879 40.927 42.059 -0.421 0.000 1.142 289 L HN 0.285 nan 8.230 nan 0.000 0.473 290 I N 3.334 123.783 120.570 -0.201 0.000 2.355 290 I HA 0.242 4.412 4.170 -0.000 0.000 0.288 290 I C 0.460 176.452 176.117 -0.208 0.000 0.999 290 I CA -0.587 60.602 61.300 -0.185 0.000 1.163 290 I CB 1.417 39.321 38.000 -0.159 0.000 1.316 290 I HN 0.573 nan 8.210 nan 0.000 0.454 291 E N 4.313 124.332 120.200 -0.303 0.000 2.373 291 E HA 0.204 4.554 4.350 -0.000 0.000 0.267 291 E C -0.090 176.354 176.600 -0.261 0.000 1.032 291 E CA -0.087 56.120 56.400 -0.322 0.000 0.889 291 E CB 1.306 30.717 29.700 -0.481 0.000 0.984 291 E HN 0.485 nan 8.360 nan 0.000 0.425 292 V N 2.326 122.251 119.914 0.018 0.000 3.103 292 V HA 0.408 4.528 4.120 -0.000 0.000 0.229 292 V C 0.662 176.953 176.094 0.327 0.000 1.304 292 V CA 0.532 62.920 62.300 0.145 0.000 1.298 292 V CB 0.820 32.663 31.823 0.033 0.000 1.093 292 V HN 0.822 nan 8.190 nan 0.000 0.489 293 G N 0.450 109.465 108.800 0.359 0.000 2.348 293 G HA2 0.547 4.506 3.960 -0.000 0.000 0.296 293 G HA3 0.547 4.506 3.960 -0.000 0.000 0.296 293 G C -1.938 173.147 174.900 0.309 0.000 1.258 293 G CA 0.062 45.301 45.100 0.232 0.000 0.868 293 G HN 0.392 nan 8.290 nan 0.000 0.488 294 E N -1.442 118.847 120.200 0.148 0.000 2.390 294 E HA 0.698 5.048 4.350 -0.000 0.000 0.277 294 E C -1.482 175.390 176.600 0.454 0.000 0.939 294 E CA -1.119 55.483 56.400 0.337 0.000 0.769 294 E CB 2.465 32.276 29.700 0.183 0.000 1.251 294 E HN 0.980 nan 8.360 nan 0.000 0.450 295 F N -0.457 119.822 119.950 0.548 0.000 2.561 295 F HA 0.695 5.222 4.527 -0.000 0.000 0.321 295 F C -0.784 175.263 175.800 0.413 0.000 1.065 295 F CA -0.915 57.382 58.000 0.496 0.000 0.934 295 F CB 1.690 41.054 39.000 0.607 0.000 1.215 295 F HN 0.618 nan 8.300 nan 0.000 0.471 296 E N 3.200 123.685 120.200 0.475 0.000 2.288 296 E HA 0.619 4.969 4.350 -0.000 0.000 0.268 296 E C -1.899 174.940 176.600 0.398 0.000 0.885 296 E CA -1.032 55.577 56.400 0.348 0.000 0.767 296 E CB 2.485 32.320 29.700 0.224 0.000 1.220 296 E HN 0.820 nan 8.360 nan 0.000 0.427 297 L N 3.253 124.704 121.223 0.379 0.000 2.265 297 L HA 0.361 4.701 4.340 -0.000 0.000 0.289 297 L C -0.185 176.717 176.870 0.053 0.000 1.033 297 L CA -0.669 54.326 54.840 0.257 0.000 0.814 297 L CB 0.566 42.827 42.059 0.337 0.000 1.203 297 L HN 0.713 nan 8.230 nan 0.000 0.423 298 N N 1.887 120.482 118.700 -0.174 0.000 2.116 298 N HA 0.144 4.884 4.740 -0.000 0.000 0.230 298 N C -0.114 175.197 175.510 -0.331 0.000 1.326 298 N CA -0.563 52.013 53.050 -0.790 0.000 0.867 298 N CB 0.684 38.452 38.487 -1.200 0.000 1.174 298 N HN 0.469 nan 8.380 nan 0.000 0.506 299 R N 0.113 120.613 120.500 0.001 0.000 2.522 299 R HA 0.352 4.692 4.340 -0.000 0.000 0.283 299 R C -1.590 174.860 176.300 0.251 0.000 1.074 299 R CA -0.470 55.707 56.100 0.129 0.000 0.925 299 R CB 1.064 31.431 30.300 0.111 0.000 1.205 299 R HN 0.141 nan 8.270 nan 0.000 0.436 300 N N 3.989 122.828 118.700 0.232 0.000 2.529 300 N HA 0.275 5.015 4.740 -0.000 0.000 0.278 300 N C -2.442 173.250 175.510 0.303 0.000 1.146 300 N CA -1.357 51.842 53.050 0.248 0.000 0.980 300 N CB 1.004 39.616 38.487 0.208 0.000 1.124 300 N HN 0.285 nan 8.380 nan 0.000 0.458 301 P HA 0.003 nan 4.420 nan 0.000 0.269 301 P C 0.090 177.527 177.300 0.228 0.000 1.209 301 P CA -0.087 63.227 63.100 0.357 0.000 0.776 301 P CB 0.712 32.573 31.700 0.268 0.000 0.876 302 Q N 0.903 120.805 119.800 0.170 0.000 2.079 302 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 302 Q C 0.508 176.592 176.000 0.139 0.000 0.974 302 Q CA 1.151 57.029 55.803 0.124 0.000 0.840 302 Q CB 0.048 28.831 28.738 0.076 0.000 0.898 302 Q HN 0.487 nan 8.270 nan 0.000 0.430 303 N N -0.903 117.884 118.700 0.145 0.000 2.448 303 N HA 0.008 4.748 4.740 -0.000 0.000 0.279 303 N C -0.435 175.196 175.510 0.202 0.000 1.025 303 N CA -0.058 53.096 53.050 0.173 0.000 0.898 303 N CB 1.078 39.654 38.487 0.148 0.000 1.303 303 N HN 0.049 nan 8.380 nan 0.000 0.495 304 Y N 4.889 125.268 120.300 0.131 0.000 2.181 304 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 304 Y C 1.697 177.667 175.900 0.116 0.000 1.146 304 Y CA 1.628 59.801 58.100 0.122 0.000 1.164 304 Y CB -0.201 38.336 38.460 0.129 0.000 0.982 304 Y HN 0.651 nan 8.280 nan 0.000 0.515 305 F N 0.536 120.628 119.950 0.236 0.000 2.102 305 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 305 F C 2.288 178.076 175.800 -0.019 0.000 1.105 305 F CA 1.969 60.041 58.000 0.120 0.000 1.239 305 F CB -0.821 38.245 39.000 0.111 0.000 0.991 305 F HN 0.046 nan 8.300 nan 0.000 0.474 306 A N -0.534 122.301 122.820 0.026 0.000 1.968 306 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 306 A C 2.021 179.465 177.584 -0.234 0.000 1.169 306 A CA 1.709 53.688 52.037 -0.096 0.000 0.638 306 A CB -0.527 18.525 19.000 0.086 0.000 0.812 306 A HN 0.590 nan 8.150 nan 0.000 0.446 307 E N -1.307 118.759 120.200 -0.223 0.000 2.330 307 E HA 0.088 4.438 4.350 -0.000 0.000 0.200 307 E C 1.599 177.909 176.600 -0.483 0.000 0.922 307 E CA 0.657 56.866 56.400 -0.317 0.000 0.935 307 E CB 0.381 29.990 29.700 -0.150 0.000 0.917 307 E HN 0.362 nan 8.360 nan 0.000 0.491 308 V N 0.710 120.346 119.914 -0.462 0.000 2.627 308 V HA -0.064 4.056 4.120 -0.000 0.000 0.239 308 V C 2.112 177.909 176.094 -0.494 0.000 1.077 308 V CA 1.111 63.123 62.300 -0.481 0.000 1.103 308 V CB -0.039 31.250 31.823 -0.890 0.000 0.802 308 V HN 0.047 nan 8.190 nan 0.000 0.482 309 E N 0.906 120.747 120.200 -0.598 0.000 2.110 309 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 309 E C 2.118 178.479 176.600 -0.400 0.000 0.988 309 E CA 1.596 57.780 56.400 -0.360 0.000 0.804 309 E CB -0.190 29.389 29.700 -0.202 0.000 0.745 309 E HN 0.612 nan 8.360 nan 0.000 0.458 310 Q N -0.424 119.053 119.800 -0.539 0.000 2.403 310 Q HA 0.245 4.585 4.340 -0.000 0.000 0.203 310 Q C -0.118 175.666 176.000 -0.360 0.000 0.932 310 Q CA 0.186 55.707 55.803 -0.471 0.000 0.945 310 Q CB 0.417 28.841 28.738 -0.523 0.000 1.045 310 Q HN 0.223 nan 8.270 nan 0.000 0.511 311 A N 1.016 123.619 122.820 -0.362 0.000 2.511 311 A HA 0.449 4.769 4.320 -0.000 0.000 0.242 311 A C -0.178 177.204 177.584 -0.336 0.000 1.069 311 A CA 0.235 52.026 52.037 -0.409 0.000 0.763 311 A CB 0.237 19.026 19.000 -0.351 0.000 1.001 311 A HN 0.263 nan 8.150 nan 0.000 0.498 312 A N 2.479 125.047 122.820 -0.419 0.000 2.332 312 A HA 0.686 5.006 4.320 -0.000 0.000 0.300 312 A C -0.955 176.419 177.584 -0.350 0.000 1.153 312 A CA -0.432 51.445 52.037 -0.267 0.000 0.764 312 A CB 0.369 19.231 19.000 -0.231 0.000 1.174 312 A HN 0.648 nan 8.150 nan 0.000 0.467 313 F N 1.765 121.661 119.950 -0.091 0.000 2.411 313 F HA 0.413 4.940 4.527 -0.000 0.000 0.352 313 F C 0.630 176.364 175.800 -0.109 0.000 1.123 313 F CA -0.335 57.582 58.000 -0.138 0.000 1.044 313 F CB 1.719 40.588 39.000 -0.218 0.000 1.135 313 F HN 0.675 nan 8.300 nan 0.000 0.461 314 N N 4.881 123.593 118.700 0.021 0.000 2.479 314 N HA 0.311 5.051 4.740 -0.000 0.000 0.261 314 N C -2.216 173.226 175.510 -0.113 0.000 0.979 314 N CA -2.015 51.000 53.050 -0.058 0.000 0.930 314 N CB 1.938 40.445 38.487 0.033 0.000 1.172 314 N HN 0.164 nan 8.380 nan 0.000 0.499 315 P HA -0.122 nan 4.420 nan 0.000 0.220 315 P C 0.680 178.075 177.300 0.158 0.000 1.144 315 P CA 0.836 63.880 63.100 -0.095 0.000 0.800 315 P CB 0.225 31.779 31.700 -0.243 0.000 0.772 316 A N -1.004 121.863 122.820 0.078 0.000 2.119 316 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 316 A C 1.031 178.810 177.584 0.326 0.000 1.153 316 A CA 0.585 52.748 52.037 0.210 0.000 0.692 316 A CB -1.290 17.745 19.000 0.059 0.000 0.799 316 A HN 0.263 nan 8.150 nan 0.000 0.458 317 N N 0.144 118.971 118.700 0.211 0.000 2.605 317 N HA 0.345 5.084 4.740 -0.000 0.000 0.258 317 N C -0.724 174.940 175.510 0.256 0.000 1.156 317 N CA -0.281 52.877 53.050 0.181 0.000 1.008 317 N CB 0.790 39.337 38.487 0.100 0.000 1.354 317 N HN 0.152 nan 8.380 nan 0.000 0.509 318 V N 1.651 121.691 119.914 0.211 0.000 3.177 318 V HA 0.562 4.682 4.120 -0.000 0.000 0.319 318 V C -0.134 175.946 176.094 -0.024 0.000 1.125 318 V CA -0.655 61.705 62.300 0.100 0.000 1.029 318 V CB 2.127 33.922 31.823 -0.047 0.000 1.119 318 V HN 0.223 nan 8.190 nan 0.000 0.452 319 V N 0.151 119.957 119.914 -0.179 0.000 2.962 319 V HA 0.696 4.816 4.120 -0.000 0.000 0.313 319 V C -2.851 173.139 176.094 -0.173 0.000 1.099 319 V CA -2.867 59.330 62.300 -0.172 0.000 0.971 319 V CB 1.437 33.141 31.823 -0.199 0.000 1.028 319 V HN 0.701 nan 8.190 nan 0.000 0.430 320 P HA 0.266 nan 4.420 nan 0.000 0.261 320 P C 1.025 178.297 177.300 -0.047 0.000 1.173 320 P CA 2.106 65.204 63.100 -0.003 0.000 0.760 320 P CB 0.504 32.309 31.700 0.175 0.000 0.783 321 G N 2.137 110.923 108.800 -0.024 0.000 2.213 321 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 321 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 321 G C -0.018 174.889 174.900 0.012 0.000 0.991 321 G CA -0.217 44.863 45.100 -0.034 0.000 0.629 321 G HN 0.509 nan 8.290 nan 0.000 0.517 322 I N 0.591 121.131 120.570 -0.051 0.000 2.533 322 I HA 0.711 4.881 4.170 -0.000 0.000 0.290 322 I C 0.044 176.099 176.117 -0.104 0.000 1.056 322 I CA -0.658 60.645 61.300 0.005 0.000 1.057 322 I CB 2.107 39.931 38.000 -0.293 0.000 1.240 322 I HN 0.147 nan 8.210 nan 0.000 0.423 323 S N 3.708 119.386 115.700 -0.038 0.000 2.973 323 S HA 0.722 5.192 4.470 -0.000 0.000 0.317 323 S C -0.922 173.635 174.600 -0.072 0.000 1.196 323 S CA -0.383 57.617 58.200 -0.334 0.000 0.894 323 S CB 1.002 64.062 63.200 -0.233 0.000 1.292 323 S HN 0.320 nan 8.310 nan 0.000 0.614 324 F N 1.753 121.898 119.950 0.325 0.000 2.363 324 F HA 0.794 5.321 4.527 -0.000 0.000 0.332 324 F C 0.968 176.947 175.800 0.298 0.000 1.039 324 F CA -0.175 57.999 58.000 0.289 0.000 1.127 324 F CB 0.145 39.228 39.000 0.137 0.000 1.701 324 F HN 0.647 nan 8.300 nan 0.000 0.532 325 S N -1.177 114.708 115.700 0.308 0.000 2.596 325 S HA 0.487 4.957 4.470 -0.000 0.000 0.270 325 S C -2.802 171.652 174.600 -0.244 0.000 1.155 325 S CA -1.154 57.072 58.200 0.043 0.000 0.827 325 S CB 1.626 64.791 63.200 -0.058 0.000 1.130 325 S HN 0.217 nan 8.310 nan 0.000 0.467 326 P HA 0.157 nan 4.420 nan 0.000 0.256 326 P C -0.339 176.718 177.300 -0.405 0.000 1.335 326 P CA 0.159 62.942 63.100 -0.529 0.000 0.808 326 P CB -0.693 30.594 31.700 -0.687 0.000 1.305 327 D N 1.176 121.399 120.400 -0.295 0.000 2.426 327 D HA -0.054 4.586 4.640 -0.000 0.000 0.261 327 D C 1.097 177.343 176.300 -0.091 0.000 1.245 327 D CA 0.334 54.292 54.000 -0.071 0.000 0.917 327 D CB 0.748 41.553 40.800 0.009 0.000 1.123 327 D HN 0.028 nan 8.370 nan 0.000 0.508 328 K N 3.584 123.968 120.400 -0.026 0.000 2.103 328 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 328 K C 1.922 178.517 176.600 -0.008 0.000 1.048 328 K CA 0.885 57.165 56.287 -0.011 0.000 0.930 328 K CB -0.035 32.494 32.500 0.047 0.000 0.716 328 K HN 0.519 nan 8.250 nan 0.000 0.444 329 M N 0.558 120.179 119.600 0.034 0.000 2.086 329 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 329 M C 2.341 178.584 176.300 -0.095 0.000 1.067 329 M CA 1.173 56.516 55.300 0.072 0.000 1.116 329 M CB -0.855 31.880 32.600 0.225 0.000 1.348 329 M HN 0.152 nan 8.290 nan 0.000 0.407 330 L N 0.993 121.993 121.223 -0.373 0.000 2.046 330 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 330 L C 2.494 179.135 176.870 -0.381 0.000 1.077 330 L CA 1.853 56.252 54.840 -0.734 0.000 0.747 330 L CB -0.842 40.656 42.059 -0.935 0.000 0.896 330 L HN 0.300 nan 8.230 nan 0.000 0.432 331 Q N -0.214 119.432 119.800 -0.256 0.000 2.077 331 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 331 Q C 2.150 178.079 176.000 -0.118 0.000 0.989 331 Q CA 1.790 57.480 55.803 -0.188 0.000 0.853 331 Q CB -1.014 27.650 28.738 -0.122 0.000 0.907 331 Q HN 0.679 nan 8.270 nan 0.000 0.418 332 G N 0.944 109.706 108.800 -0.063 0.000 2.442 332 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 332 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 332 G C 1.515 176.431 174.900 0.027 0.000 1.141 332 G CA 0.624 45.731 45.100 0.012 0.000 0.763 332 G HN 0.301 nan 8.290 nan 0.000 0.554 333 R N -0.122 120.354 120.500 -0.040 0.000 2.148 333 R HA 0.140 4.479 4.340 -0.000 0.000 0.227 333 R C 2.419 178.724 176.300 0.008 0.000 1.103 333 R CA 0.417 56.539 56.100 0.038 0.000 0.983 333 R CB -0.350 29.931 30.300 -0.031 0.000 0.874 333 R HN 0.345 nan 8.270 nan 0.000 0.451 334 L N -0.269 120.887 121.223 -0.111 0.000 2.265 334 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 334 L C 2.059 178.940 176.870 0.019 0.000 1.117 334 L CA 0.910 55.660 54.840 -0.151 0.000 0.782 334 L CB -0.347 41.508 42.059 -0.339 0.000 0.914 334 L HN 0.162 nan 8.230 nan 0.000 0.441 335 F N 0.741 120.657 119.950 -0.057 0.000 2.188 335 F HA 0.120 4.647 4.527 -0.000 0.000 0.289 335 F C 2.458 178.268 175.800 0.016 0.000 1.082 335 F CA 0.823 58.810 58.000 -0.022 0.000 1.282 335 F CB -0.383 38.599 39.000 -0.031 0.000 1.060 335 F HN -0.087 nan 8.300 nan 0.000 0.493 336 A N -0.434 122.243 122.820 -0.239 0.000 1.972 336 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 336 A C 1.970 179.338 177.584 -0.359 0.000 1.169 336 A CA 1.821 53.602 52.037 -0.426 0.000 0.635 336 A CB -1.421 17.436 19.000 -0.239 0.000 0.810 336 A HN 0.568 nan 8.150 nan 0.000 0.446 337 Y N -0.324 119.814 120.300 -0.271 0.000 2.206 337 Y HA 0.079 4.629 4.550 -0.000 0.000 0.292 337 Y C 2.823 178.618 175.900 -0.175 0.000 1.123 337 Y CA 0.720 58.708 58.100 -0.187 0.000 1.142 337 Y CB -1.068 37.319 38.460 -0.123 0.000 1.006 337 Y HN 0.291 nan 8.280 nan 0.000 0.518 338 G N -0.456 108.349 108.800 0.008 0.000 2.442 338 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.219 338 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.219 338 G C 1.275 176.120 174.900 -0.091 0.000 1.141 338 G CA 1.446 46.539 45.100 -0.011 0.000 0.763 338 G HN 0.412 nan 8.290 nan 0.000 0.554 339 D N 0.703 120.944 120.400 -0.266 0.000 2.084 339 D HA 0.010 4.649 4.640 -0.000 0.000 0.194 339 D C 2.753 178.944 176.300 -0.181 0.000 0.990 339 D CA 1.649 55.458 54.000 -0.318 0.000 0.826 339 D CB -0.423 39.906 40.800 -0.785 0.000 0.971 339 D HN 0.219 nan 8.370 nan 0.000 0.453 340 A N -0.142 122.550 122.820 -0.214 0.000 1.908 340 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 340 A C 2.206 179.751 177.584 -0.066 0.000 1.181 340 A CA 1.971 53.938 52.037 -0.117 0.000 0.627 340 A CB -0.796 18.087 19.000 -0.195 0.000 0.818 340 A HN 0.388 nan 8.150 nan 0.000 0.445 341 Q N -0.996 118.721 119.800 -0.139 0.000 2.123 341 Q HA -0.075 4.265 4.340 -0.000 0.000 0.199 341 Q C 2.352 178.177 176.000 -0.292 0.000 0.966 341 Q CA 1.245 56.877 55.803 -0.286 0.000 0.845 341 Q CB -0.119 28.386 28.738 -0.389 0.000 0.907 341 Q HN 0.616 nan 8.270 nan 0.000 0.439 342 R N -0.545 119.917 120.500 -0.064 0.000 2.105 342 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 342 R C 2.101 178.421 176.300 0.034 0.000 1.135 342 R CA 1.584 57.716 56.100 0.054 0.000 0.967 342 R CB -0.318 30.024 30.300 0.070 0.000 0.861 342 R HN 0.328 nan 8.270 nan 0.000 0.442 343 Y N 1.210 121.465 120.300 -0.075 0.000 2.184 343 Y HA -0.156 4.393 4.550 -0.000 0.000 0.290 343 Y C 2.463 178.323 175.900 -0.066 0.000 1.129 343 Y CA 1.474 59.538 58.100 -0.060 0.000 1.144 343 Y CB -0.137 38.286 38.460 -0.060 0.000 0.995 343 Y HN -0.163 nan 8.280 nan 0.000 0.513 344 R N -0.159 120.202 120.500 -0.231 0.000 2.090 344 R HA -0.023 4.316 4.340 -0.000 0.000 0.228 344 R C 1.351 177.491 176.300 -0.265 0.000 1.110 344 R CA 1.885 57.805 56.100 -0.301 0.000 0.973 344 R CB -0.146 30.067 30.300 -0.144 0.000 0.869 344 R HN 0.497 nan 8.270 nan 0.000 0.440 345 L N -0.842 120.240 121.223 -0.236 0.000 2.817 345 L HA 0.400 4.740 4.340 -0.000 0.000 0.248 345 L C 0.321 177.150 176.870 -0.070 0.000 1.133 345 L CA 0.054 54.783 54.840 -0.184 0.000 0.935 345 L CB 1.325 43.207 42.059 -0.294 0.000 1.266 345 L HN 0.413 nan 8.230 nan 0.000 0.535 346 G N -0.041 108.729 108.800 -0.049 0.000 2.675 346 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 346 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 346 G C 0.159 175.120 174.900 0.103 0.000 1.215 346 G CA -0.348 44.760 45.100 0.013 0.000 0.777 346 G HN -0.248 nan 8.290 nan 0.000 0.638 347 V N 0.701 120.643 119.914 0.047 0.000 2.469 347 V HA -0.105 4.015 4.120 -0.000 0.000 0.251 347 V C 1.830 177.871 176.094 -0.089 0.000 1.064 347 V CA 2.538 64.845 62.300 0.013 0.000 1.066 347 V CB -0.273 31.538 31.823 -0.020 0.000 0.667 347 V HN 0.667 nan 8.190 nan 0.000 0.461 348 N N -0.151 118.499 118.700 -0.083 0.000 2.327 348 N HA 0.062 4.801 4.740 -0.000 0.000 0.231 348 N C 1.113 176.464 175.510 -0.265 0.000 1.130 348 N CA 0.616 53.544 53.050 -0.203 0.000 0.845 348 N CB -0.165 38.307 38.487 -0.024 0.000 1.073 348 N HN 0.899 nan 8.380 nan 0.000 0.496 349 H N -1.143 117.826 119.070 -0.167 0.000 2.545 349 H HA 0.048 4.604 4.556 -0.000 0.000 0.282 349 H C 1.195 176.416 175.328 -0.179 0.000 1.020 349 H CA 0.940 56.898 56.048 -0.151 0.000 1.243 349 H CB -0.013 29.665 29.762 -0.140 0.000 1.377 349 H HN 0.159 nan 8.280 nan 0.000 0.581 350 Q N 0.046 119.523 119.800 -0.538 0.000 2.444 350 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 350 Q C 0.771 176.631 176.000 -0.233 0.000 0.948 350 Q CA 0.139 55.724 55.803 -0.363 0.000 0.946 350 Q CB 0.250 28.753 28.738 -0.391 0.000 1.027 350 Q HN 0.740 nan 8.270 nan 0.000 0.513 351 H N -0.520 118.495 119.070 -0.092 0.000 2.548 351 H HA 0.138 4.694 4.556 -0.000 0.000 0.265 351 H C 0.345 175.635 175.328 -0.064 0.000 0.969 351 H CA 0.067 56.072 56.048 -0.072 0.000 1.155 351 H CB 0.190 29.908 29.762 -0.073 0.000 1.394 351 H HN 0.178 nan 8.280 nan 0.000 0.570 352 I N 3.075 123.657 120.570 0.020 0.000 2.598 352 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 352 I C -1.099 174.985 176.117 -0.054 0.000 1.140 352 I CA -1.351 59.934 61.300 -0.025 0.000 1.420 352 I CB 0.984 38.946 38.000 -0.065 0.000 1.387 352 I HN -0.093 nan 8.210 nan 0.000 0.553 353 P HA -0.236 nan 4.420 nan 0.000 0.216 353 P C 1.734 178.969 177.300 -0.108 0.000 1.154 353 P CA 1.046 64.096 63.100 -0.083 0.000 0.865 353 P CB 0.188 31.834 31.700 -0.091 0.000 0.789 354 V N -0.290 119.535 119.914 -0.147 0.000 2.594 354 V HA -0.183 3.936 4.120 -0.000 0.000 0.253 354 V C 1.436 177.463 176.094 -0.112 0.000 1.069 354 V CA 2.021 64.207 62.300 -0.190 0.000 1.082 354 V CB -0.931 30.606 31.823 -0.477 0.000 0.680 354 V HN 0.119 nan 8.190 nan 0.000 0.469 355 N N 0.456 119.085 118.700 -0.119 0.000 2.353 355 N HA 0.221 4.961 4.740 -0.000 0.000 0.185 355 N C 0.509 176.013 175.510 -0.009 0.000 1.098 355 N CA 0.733 53.727 53.050 -0.094 0.000 0.872 355 N CB 0.138 38.568 38.487 -0.095 0.000 0.970 355 N HN 0.530 nan 8.380 nan 0.000 0.467 356 A N 2.552 125.384 122.820 0.019 0.000 2.388 356 A HA 0.394 4.714 4.320 -0.000 0.000 0.257 356 A C -2.083 175.560 177.584 0.097 0.000 1.095 356 A CA -1.016 51.043 52.037 0.036 0.000 0.791 356 A CB 0.106 19.112 19.000 0.009 0.000 1.029 356 A HN -0.033 nan 8.150 nan 0.000 0.489 357 P HA 0.185 nan 4.420 nan 0.000 0.272 357 P C -0.084 177.258 177.300 0.069 0.000 1.230 357 P CA -0.122 63.052 63.100 0.123 0.000 0.788 357 P CB 0.624 32.378 31.700 0.090 0.000 0.949 358 R N -0.055 120.492 120.500 0.078 0.000 2.362 358 R HA 0.171 4.511 4.340 -0.000 0.000 0.227 358 R C 0.675 176.989 176.300 0.023 0.000 0.905 358 R CA 0.101 56.202 56.100 0.002 0.000 1.067 358 R CB -0.229 30.045 30.300 -0.044 0.000 1.078 358 R HN 0.616 nan 8.270 nan 0.000 0.516 359 C N -0.490 118.838 119.300 0.047 0.000 2.451 359 C HA 0.657 5.117 4.460 -0.000 0.000 0.391 359 C C -2.373 172.640 174.990 0.037 0.000 1.286 359 C CA -2.597 56.443 59.018 0.037 0.000 1.935 359 C CB 0.829 28.592 27.740 0.038 0.000 2.188 359 C HN 0.009 nan 8.230 nan 0.000 0.523 360 P HA 0.273 nan 4.420 nan 0.000 0.262 360 P C -0.709 176.634 177.300 0.072 0.000 1.182 360 P CA 0.442 63.567 63.100 0.041 0.000 0.761 360 P CB 0.304 32.017 31.700 0.021 0.000 0.795 361 V N 4.425 124.411 119.914 0.119 0.000 2.577 361 V HA 0.345 4.465 4.120 -0.000 0.000 0.303 361 V C -1.127 175.159 176.094 0.320 0.000 1.042 361 V CA -0.366 62.040 62.300 0.176 0.000 0.872 361 V CB 1.525 33.439 31.823 0.152 0.000 0.998 361 V HN 0.663 nan 8.190 nan 0.000 0.423 362 H N 4.824 124.008 119.070 0.189 0.000 2.538 362 H HA 0.266 4.822 4.556 -0.000 0.000 0.239 362 H C 0.437 175.926 175.328 0.268 0.000 1.401 362 H CA 0.466 56.677 56.048 0.272 0.000 1.499 362 H CB 1.265 31.115 29.762 0.145 0.000 1.624 362 H HN 0.755 nan 8.280 nan 0.000 0.524 363 S N 2.199 118.017 115.700 0.196 0.000 2.577 363 S HA -0.056 4.413 4.470 -0.000 0.000 0.219 363 S C 1.061 175.396 174.600 -0.443 0.000 0.962 363 S CA 0.214 58.383 58.200 -0.051 0.000 0.921 363 S CB -0.332 62.895 63.200 0.044 0.000 0.789 363 S HN 0.775 nan 8.310 nan 0.000 0.497 364 Y N 1.875 121.641 120.300 -0.890 0.000 2.818 364 Y HA -0.388 4.162 4.550 -0.000 0.000 0.487 364 Y C 0.244 175.637 175.900 -0.846 0.000 1.146 364 Y CA 1.976 59.116 58.100 -1.599 0.000 2.839 364 Y CB -1.987 35.693 38.460 -1.299 0.000 0.893 364 Y HN 0.605 nan 8.280 nan 0.000 0.545 365 H N 3.703 122.653 119.070 -0.201 0.000 3.001 365 H HA 0.373 4.929 4.556 -0.000 0.000 0.334 365 H C 0.325 175.596 175.328 -0.096 0.000 1.034 365 H CA 0.805 56.755 56.048 -0.164 0.000 1.420 365 H CB 0.283 30.036 29.762 -0.015 0.000 1.405 365 H HN 0.243 nan 8.280 nan 0.000 0.593 366 R N 2.116 122.586 120.500 -0.049 0.000 2.832 366 R HA 0.213 4.553 4.340 -0.000 0.000 0.271 366 R C 0.363 176.670 176.300 0.012 0.000 0.996 366 R CA -0.735 55.358 56.100 -0.011 0.000 0.977 366 R CB 1.099 31.348 30.300 -0.085 0.000 1.168 366 R HN 0.713 nan 8.270 nan 0.000 0.482 367 D N -0.107 120.304 120.400 0.019 0.000 3.396 367 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 367 D C 0.401 176.711 176.300 0.017 0.000 1.347 367 D CA 2.012 56.020 54.000 0.012 0.000 1.106 367 D CB -1.100 39.704 40.800 0.007 0.000 0.619 367 D HN 0.873 nan 8.370 nan 0.000 0.728 368 G N -0.914 107.892 108.800 0.011 0.000 2.758 368 G HA2 0.398 4.358 3.960 -0.000 0.000 0.686 368 G HA3 0.398 4.358 3.960 -0.000 0.000 0.686 368 G C 0.049 174.955 174.900 0.011 0.000 1.389 368 G CA 0.468 45.573 45.100 0.009 0.000 0.845 368 G HN 1.501 nan 8.290 nan 0.000 0.572 369 A N 1.803 124.628 122.820 0.008 0.000 2.531 369 A HA 0.581 4.901 4.320 -0.000 0.000 0.236 369 A C 1.518 179.110 177.584 0.014 0.000 1.062 369 A CA 1.378 53.419 52.037 0.007 0.000 0.760 369 A CB -0.052 18.949 19.000 0.001 0.000 0.995 369 A HN 2.165 nan 8.150 nan 0.000 0.501 370 M N 0.269 119.876 119.600 0.011 0.000 2.297 370 M HA -0.138 4.342 4.480 -0.000 0.000 0.200 370 M C 0.203 176.521 176.300 0.029 0.000 0.414 370 M CA 0.672 55.982 55.300 0.017 0.000 0.449 370 M CB -1.653 30.960 32.600 0.021 0.000 1.436 370 M HN 0.846 nan 8.290 nan 0.000 0.912 371 R N 1.185 121.694 120.500 0.015 0.000 2.272 371 R HA 0.365 4.705 4.340 -0.000 0.000 0.334 371 R C 1.039 177.311 176.300 -0.047 0.000 1.117 371 R CA 0.327 56.426 56.100 -0.000 0.000 0.966 371 R CB 0.283 30.577 30.300 -0.011 0.000 1.049 371 R HN 0.350 nan 8.270 nan 0.000 0.477 372 V N 0.334 120.197 119.914 -0.084 0.000 3.605 372 V HA 0.206 4.326 4.120 -0.000 0.000 0.284 372 V C 0.665 176.647 176.094 -0.186 0.000 1.386 372 V CA 0.664 62.900 62.300 -0.108 0.000 1.053 372 V CB 0.492 32.274 31.823 -0.068 0.000 0.857 372 V HN 0.677 nan 8.190 nan 0.000 0.436 373 D N 0.531 120.740 120.400 -0.319 0.000 2.340 373 D HA 0.279 4.919 4.640 -0.000 0.000 0.217 373 D C 1.610 177.738 176.300 -0.287 0.000 1.081 373 D CA 0.712 54.483 54.000 -0.381 0.000 0.842 373 D CB 0.439 40.823 40.800 -0.694 0.000 0.934 373 D HN 0.831 nan 8.370 nan 0.000 0.511 374 G N 1.475 110.150 108.800 -0.208 0.000 2.241 374 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.244 374 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.244 374 G C 0.673 175.483 174.900 -0.149 0.000 0.998 374 G CA 0.196 45.208 45.100 -0.146 0.000 0.621 374 G HN 0.531 nan 8.290 nan 0.000 0.519 375 N N -1.127 117.410 118.700 -0.271 0.000 2.747 375 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 375 N C 0.726 176.189 175.510 -0.078 0.000 1.107 375 N CA 1.815 54.727 53.050 -0.232 0.000 0.707 375 N CB -1.846 36.600 38.487 -0.068 0.000 1.054 375 N HN 1.508 nan 8.380 nan 0.000 0.555 376 F N -3.451 116.534 119.950 0.057 0.000 3.006 376 F HA -0.240 4.287 4.527 -0.000 0.000 0.289 376 F C 1.807 177.650 175.800 0.071 0.000 0.772 376 F CA 1.565 59.628 58.000 0.105 0.000 1.162 376 F CB -1.701 37.434 39.000 0.224 0.000 1.382 376 F HN 0.564 nan 8.300 nan 0.000 0.406 377 G N 0.886 109.768 108.800 0.136 0.000 2.651 377 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.315 377 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.315 377 G C 0.929 175.897 174.900 0.114 0.000 1.258 377 G CA 1.652 46.809 45.100 0.094 0.000 1.002 377 G HN 1.400 nan 8.290 nan 0.000 0.551 378 S N -0.377 115.379 115.700 0.094 0.000 2.575 378 S HA 0.354 4.824 4.470 -0.000 0.000 0.215 378 S C 0.932 175.590 174.600 0.097 0.000 0.966 378 S CA 1.166 59.417 58.200 0.085 0.000 0.911 378 S CB -0.119 63.115 63.200 0.057 0.000 0.780 378 S HN 1.052 nan 8.310 nan 0.000 0.514 379 T N 5.222 119.848 114.554 0.120 0.000 2.905 379 T HA 0.244 4.594 4.350 -0.000 0.000 0.299 379 T C 0.423 175.209 174.700 0.143 0.000 1.024 379 T CA -0.234 61.922 62.100 0.092 0.000 1.151 379 T CB -0.226 68.698 68.868 0.095 0.000 0.987 379 T HN 0.473 nan 8.240 nan 0.000 0.535 380 L N 1.698 122.975 121.223 0.091 0.000 2.492 380 L HA 0.499 4.839 4.340 -0.000 0.000 0.280 380 L C 1.315 178.333 176.870 0.246 0.000 1.240 380 L CA 0.005 54.923 54.840 0.131 0.000 0.831 380 L CB -0.202 41.856 42.059 -0.001 0.000 1.100 380 L HN 0.589 nan 8.230 nan 0.000 0.505 381 G N 0.143 109.084 108.800 0.236 0.000 3.126 381 G HA2 0.175 4.135 3.960 -0.000 0.000 0.224 381 G HA3 0.175 4.135 3.960 -0.000 0.000 0.224 381 G C -0.075 174.932 174.900 0.178 0.000 1.142 381 G CA 0.262 45.433 45.100 0.118 0.000 0.759 381 G HN 0.800 nan 8.290 nan 0.000 0.550 382 Y N -1.253 119.192 120.300 0.242 0.000 2.509 382 Y HA 0.837 5.387 4.550 -0.000 0.000 0.341 382 Y C -0.656 175.420 175.900 0.294 0.000 1.038 382 Y CA -2.168 56.071 58.100 0.232 0.000 1.089 382 Y CB 1.781 40.324 38.460 0.139 0.000 1.241 382 Y HN -0.133 nan 8.280 nan 0.000 0.468 383 E N 3.234 123.598 120.200 0.274 0.000 2.304 383 E HA 0.357 4.706 4.350 -0.000 0.000 0.277 383 E C -2.845 173.852 176.600 0.161 0.000 0.898 383 E CA -1.949 54.554 56.400 0.172 0.000 0.764 383 E CB 2.116 31.901 29.700 0.142 0.000 1.216 383 E HN 0.815 nan 8.360 nan 0.000 0.419 384 P HA 0.234 nan 4.420 nan 0.000 0.269 384 P C -0.872 176.548 177.300 0.200 0.000 1.209 384 P CA -0.077 63.104 63.100 0.135 0.000 0.776 384 P CB 0.534 32.298 31.700 0.107 0.000 0.876 385 N N -0.679 118.074 118.700 0.089 0.000 2.732 385 N HA 0.255 4.995 4.740 -0.000 0.000 0.259 385 N C -0.337 175.195 175.510 0.036 0.000 1.402 385 N CA -0.806 52.275 53.050 0.053 0.000 0.829 385 N CB 0.631 38.898 38.487 -0.366 0.000 1.495 385 N HN 0.263 nan 8.380 nan 0.000 0.511 386 D N -1.242 119.192 120.400 0.056 0.000 2.325 386 D HA 0.005 4.645 4.640 -0.000 0.000 0.225 386 D C 0.161 176.458 176.300 -0.006 0.000 1.096 386 D CA 0.474 54.495 54.000 0.035 0.000 0.844 386 D CB 0.006 40.842 40.800 0.061 0.000 0.925 386 D HN 0.675 nan 8.370 nan 0.000 0.513 387 Q N -0.490 119.281 119.800 -0.048 0.000 2.194 387 Q HA 0.291 4.631 4.340 -0.000 0.000 0.214 387 Q C 0.884 176.824 176.000 -0.100 0.000 0.838 387 Q CA 0.159 55.916 55.803 -0.076 0.000 0.972 387 Q CB 0.869 29.544 28.738 -0.104 0.000 1.131 387 Q HN 0.378 nan 8.270 nan 0.000 0.498 388 G N 1.706 110.457 108.800 -0.081 0.000 2.168 388 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.257 388 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.257 388 G C 0.094 174.920 174.900 -0.123 0.000 0.997 388 G CA 0.433 45.487 45.100 -0.077 0.000 0.708 388 G HN 0.282 nan 8.290 nan 0.000 0.520 389 Q N -1.057 118.625 119.800 -0.196 0.000 2.340 389 Q HA 0.439 4.779 4.340 -0.000 0.000 0.249 389 Q C 0.755 176.612 176.000 -0.239 0.000 0.957 389 Q CA -0.012 55.555 55.803 -0.394 0.000 0.882 389 Q CB 0.026 28.404 28.738 -0.601 0.000 1.235 389 Q HN 0.699 nan 8.270 nan 0.000 0.439 390 W N 0.667 121.968 121.300 0.002 0.000 5.361 390 W HA -0.225 4.435 4.660 -0.000 0.000 0.385 390 W C -0.158 176.337 176.519 -0.039 0.000 1.458 390 W CA -0.025 57.295 57.345 -0.042 0.000 0.922 390 W CB -1.992 27.430 29.460 -0.063 0.000 2.606 390 W HN 0.661 nan 8.180 nan 0.000 1.450 391 A N 1.486 124.375 122.820 0.116 0.000 2.451 391 A HA 0.382 4.702 4.320 -0.000 0.000 0.266 391 A C 0.939 178.570 177.584 0.078 0.000 1.119 391 A CA 0.073 52.151 52.037 0.069 0.000 0.786 391 A CB 0.184 19.199 19.000 0.025 0.000 1.061 391 A HN 0.444 nan 8.150 nan 0.000 0.503 392 E N 2.769 123.005 120.200 0.061 0.000 2.425 392 E HA 0.102 4.452 4.350 -0.000 0.000 0.258 392 E C -0.759 175.888 176.600 0.078 0.000 1.151 392 E CA -0.118 56.316 56.400 0.058 0.000 0.958 392 E CB 0.429 30.152 29.700 0.038 0.000 0.968 392 E HN 0.655 nan 8.360 nan 0.000 0.451 393 Q N 1.483 121.349 119.800 0.109 0.000 2.644 393 Q HA 0.177 4.517 4.340 -0.000 0.000 0.245 393 Q C -1.862 174.248 176.000 0.183 0.000 1.064 393 Q CA -1.784 54.129 55.803 0.182 0.000 0.860 393 Q CB 1.451 30.363 28.738 0.291 0.000 1.145 393 Q HN 0.531 nan 8.270 nan 0.000 0.515 394 P HA -0.122 nan 4.420 nan 0.000 0.223 394 P C 0.164 177.478 177.300 0.023 0.000 1.151 394 P CA 0.826 63.961 63.100 0.059 0.000 0.787 394 P CB 0.481 32.197 31.700 0.028 0.000 0.788 395 D N -0.614 119.768 120.400 -0.030 0.000 2.309 395 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 395 D C 1.062 177.182 176.300 -0.300 0.000 0.968 395 D CA 0.902 54.786 54.000 -0.192 0.000 0.882 395 D CB -0.683 39.931 40.800 -0.309 0.000 0.918 395 D HN 0.264 nan 8.370 nan 0.000 0.503 396 F N 0.168 120.112 119.950 -0.010 0.000 2.732 396 F HA 0.154 4.681 4.527 -0.000 0.000 0.303 396 F C 1.268 177.060 175.800 -0.013 0.000 1.110 396 F CA -0.257 57.734 58.000 -0.013 0.000 1.355 396 F CB 0.045 39.039 39.000 -0.011 0.000 1.081 396 F HN -0.310 nan 8.300 nan 0.000 0.565 397 S N 0.990 116.754 115.700 0.106 0.000 2.560 397 S HA 0.034 4.504 4.470 -0.000 0.000 0.284 397 S C 0.293 174.919 174.600 0.042 0.000 1.327 397 S CA -0.296 57.945 58.200 0.068 0.000 1.055 397 S CB 0.329 63.551 63.200 0.037 0.000 0.868 397 S HN 0.332 nan 8.310 nan 0.000 0.506 398 E N 3.739 123.962 120.200 0.039 0.000 2.283 398 E HA 0.390 4.740 4.350 -0.000 0.000 0.267 398 E C -2.046 174.558 176.600 0.007 0.000 1.045 398 E CA -2.014 54.397 56.400 0.018 0.000 0.884 398 E CB 0.522 30.232 29.700 0.017 0.000 1.106 398 E HN 0.556 nan 8.360 nan 0.000 0.408 399 P HA 0.147 nan 4.420 nan 0.000 0.272 399 P C -2.505 174.792 177.300 -0.005 0.000 1.223 399 P CA -1.093 61.996 63.100 -0.018 0.000 0.784 399 P CB -0.331 31.343 31.700 -0.043 0.000 0.923 400 P HA 0.108 nan 4.420 nan 0.000 0.267 400 P C -0.617 176.693 177.300 0.016 0.000 1.201 400 P CA 0.002 63.110 63.100 0.013 0.000 0.775 400 P CB 0.190 31.895 31.700 0.009 0.000 0.854 401 L N 2.444 123.689 121.223 0.037 0.000 2.305 401 L HA 0.335 4.674 4.340 -0.000 0.000 0.284 401 L C -0.195 176.705 176.870 0.050 0.000 1.013 401 L CA -0.319 54.555 54.840 0.057 0.000 0.819 401 L CB 0.405 42.523 42.059 0.098 0.000 1.227 401 L HN 0.275 nan 8.230 nan 0.000 0.417 402 N N 4.037 122.767 118.700 0.049 0.000 2.454 402 N HA 0.315 5.054 4.740 -0.000 0.000 0.254 402 N C -1.091 174.440 175.510 0.036 0.000 1.228 402 N CA -0.238 52.834 53.050 0.038 0.000 0.900 402 N CB 0.507 39.016 38.487 0.035 0.000 1.089 402 N HN 0.324 nan 8.380 nan 0.000 0.449 403 L N 1.441 122.676 121.223 0.020 0.000 2.354 403 L HA 0.491 4.831 4.340 -0.000 0.000 0.264 403 L C -0.641 176.227 176.870 -0.003 0.000 1.008 403 L CA -0.419 54.425 54.840 0.006 0.000 0.819 403 L CB 1.893 43.958 42.059 0.011 0.000 1.339 403 L HN 0.578 nan 8.230 nan 0.000 0.420 404 D N 0.493 120.877 120.400 -0.026 0.000 2.966 404 D HA 0.633 5.272 4.640 -0.000 0.000 0.222 404 D C -0.438 175.824 176.300 -0.063 0.000 1.292 404 D CA 0.561 54.540 54.000 -0.034 0.000 0.907 404 D CB 1.709 42.483 40.800 -0.043 0.000 1.621 404 D HN 0.879 nan 8.370 nan 0.000 0.557 405 G N 1.269 110.063 108.800 -0.011 0.000 2.555 405 G HA2 0.486 4.446 3.960 -0.000 0.000 0.686 405 G HA3 0.486 4.446 3.960 -0.000 0.000 0.686 405 G C -0.355 174.645 174.900 0.168 0.000 1.275 405 G CA -0.416 44.704 45.100 0.034 0.000 0.871 405 G HN 0.861 nan 8.290 nan 0.000 0.603 406 A N 0.023 123.062 122.820 0.364 0.000 2.332 406 A HA 0.888 5.208 4.320 -0.000 0.000 0.258 406 A C 1.147 178.951 177.584 0.366 0.000 1.087 406 A CA 1.014 53.239 52.037 0.313 0.000 0.802 406 A CB 0.469 19.622 19.000 0.255 0.000 1.042 406 A HN 2.582 nan 8.150 nan 0.000 0.489 407 A N 0.580 123.506 122.820 0.176 0.000 2.484 407 A HA 0.554 4.874 4.320 -0.000 0.000 0.268 407 A C 0.491 178.072 177.584 -0.005 0.000 1.114 407 A CA 0.685 52.785 52.037 0.106 0.000 0.780 407 A CB -0.869 18.151 19.000 0.033 0.000 1.061 407 A HN 2.426 nan 8.150 nan 0.000 0.505 408 A N 2.742 125.506 122.820 -0.094 0.000 2.586 408 A HA 0.612 4.932 4.320 -0.000 0.000 0.290 408 A C -0.720 176.609 177.584 -0.424 0.000 1.086 408 A CA -0.761 51.035 52.037 -0.401 0.000 0.665 408 A CB 0.526 18.980 19.000 -0.910 0.000 1.279 408 A HN 0.809 nan 8.150 nan 0.000 0.423 409 H N 0.640 119.532 119.070 -0.296 0.000 2.982 409 H HA 0.155 4.711 4.556 -0.000 0.000 0.261 409 H C -1.033 174.204 175.328 -0.152 0.000 1.603 409 H CA 0.175 56.144 56.048 -0.131 0.000 1.398 409 H CB -0.068 29.647 29.762 -0.078 0.000 1.693 409 H HN 0.534 nan 8.280 nan 0.000 0.535 410 W N 2.017 123.370 121.300 0.089 0.000 2.308 410 W HA -0.034 4.626 4.660 -0.000 0.000 0.324 410 W C 0.867 177.436 176.519 0.084 0.000 1.387 410 W CA -0.332 57.057 57.345 0.073 0.000 1.250 410 W CB 0.269 29.760 29.460 0.051 0.000 1.257 410 W HN 0.425 nan 8.180 nan 0.000 0.554 411 D N 2.944 123.500 120.400 0.260 0.000 2.346 411 D HA -0.078 4.562 4.640 -0.000 0.000 0.260 411 D C 1.367 177.746 176.300 0.132 0.000 1.252 411 D CA 0.164 54.235 54.000 0.118 0.000 0.895 411 D CB 0.365 41.200 40.800 0.058 0.000 1.097 411 D HN 0.528 nan 8.370 nan 0.000 0.489 412 H N 3.105 122.279 119.070 0.172 0.000 2.491 412 H HA 0.024 4.580 4.556 -0.000 0.000 0.290 412 H C 1.155 176.564 175.328 0.135 0.000 1.050 412 H CA 1.032 57.170 56.048 0.149 0.000 1.309 412 H CB -0.013 29.837 29.762 0.147 0.000 1.392 412 H HN 0.293 nan 8.280 nan 0.000 0.554 413 R N 0.709 121.123 120.500 -0.143 0.000 2.339 413 R HA -0.061 4.279 4.340 -0.000 0.000 0.199 413 R C 1.646 177.978 176.300 0.054 0.000 1.018 413 R CA 0.731 56.852 56.100 0.036 0.000 1.036 413 R CB -0.131 30.163 30.300 -0.010 0.000 0.899 413 R HN 0.603 nan 8.270 nan 0.000 0.473 414 E N 1.538 121.774 120.200 0.061 0.000 2.160 414 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 414 E C 0.043 176.650 176.600 0.012 0.000 0.991 414 E CA 0.928 57.360 56.400 0.053 0.000 0.810 414 E CB 0.099 29.849 29.700 0.083 0.000 0.742 414 E HN 0.089 nan 8.360 nan 0.000 0.466 415 D N 0.471 120.876 120.400 0.009 0.000 2.396 415 D HA 0.035 4.675 4.640 -0.000 0.000 0.225 415 D C -0.335 175.803 176.300 -0.270 0.000 1.121 415 D CA 0.039 53.996 54.000 -0.071 0.000 0.853 415 D CB 0.923 41.714 40.800 -0.016 0.000 1.043 415 D HN 0.019 nan 8.370 nan 0.000 0.500 416 E N 2.231 122.212 120.200 -0.366 0.000 2.451 416 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 416 E C -0.385 175.702 176.600 -0.855 0.000 1.027 416 E CA -0.175 55.772 56.400 -0.754 0.000 0.914 416 E CB 0.445 29.975 29.700 -0.283 0.000 1.054 416 E HN 0.361 nan 8.360 nan 0.000 0.461 417 D N 0.113 120.180 120.400 -0.555 0.000 2.455 417 D HA -0.034 4.606 4.640 -0.000 0.000 0.234 417 D C -0.069 175.976 176.300 -0.424 0.000 1.224 417 D CA 0.038 53.834 54.000 -0.340 0.000 0.999 417 D CB -0.036 40.682 40.800 -0.138 0.000 1.072 417 D HN 0.087 nan 8.370 nan 0.000 0.514 418 Y N 1.522 121.554 120.300 -0.447 0.000 2.507 418 Y HA 0.172 4.722 4.550 -0.000 0.000 0.263 418 Y C 1.098 176.598 175.900 -0.666 0.000 1.093 418 Y CA -0.048 57.611 58.100 -0.734 0.000 1.285 418 Y CB 0.031 37.701 38.460 -1.316 0.000 1.115 418 Y HN 0.276 nan 8.280 nan 0.000 0.533 419 F N -1.897 118.115 119.950 0.103 0.000 2.752 419 F HA 0.128 4.655 4.527 -0.000 0.000 0.310 419 F C 2.294 178.098 175.800 0.008 0.000 1.097 419 F CA 0.301 58.336 58.000 0.058 0.000 1.238 419 F CB -0.569 38.474 39.000 0.072 0.000 1.061 419 F HN -0.071 nan 8.300 nan 0.000 0.591 420 S N 0.221 115.995 115.700 0.125 0.000 2.355 420 S HA -0.185 4.285 4.470 -0.000 0.000 0.222 420 S C 1.788 176.381 174.600 -0.012 0.000 1.031 420 S CA 1.089 59.328 58.200 0.066 0.000 0.993 420 S CB -0.613 62.616 63.200 0.049 0.000 0.859 420 S HN 0.455 nan 8.310 nan 0.000 0.453 421 Q N 1.406 121.145 119.800 -0.102 0.000 2.079 421 Q HA 0.024 4.364 4.340 -0.000 0.000 0.200 421 Q C -0.452 175.303 176.000 -0.407 0.000 0.974 421 Q CA 1.375 57.020 55.803 -0.263 0.000 0.840 421 Q CB -1.313 27.226 28.738 -0.331 0.000 0.898 421 Q HN 0.517 nan 8.270 nan 0.000 0.430 422 P HA -0.134 nan 4.420 nan 0.000 0.218 422 P C 1.270 178.605 177.300 0.057 0.000 1.148 422 P CA 1.784 64.809 63.100 -0.125 0.000 0.822 422 P CB -0.338 31.417 31.700 0.091 0.000 0.784 423 G N -0.206 108.645 108.800 0.085 0.000 2.402 423 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 423 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 423 G C 1.250 176.218 174.900 0.114 0.000 1.162 423 G CA 0.742 45.921 45.100 0.130 0.000 0.777 423 G HN 0.159 nan 8.290 nan 0.000 0.539 424 D N 0.260 120.677 120.400 0.029 0.000 2.092 424 D HA -0.116 4.524 4.640 -0.000 0.000 0.193 424 D C 2.413 178.708 176.300 -0.008 0.000 0.994 424 D CA 0.758 54.759 54.000 0.001 0.000 0.828 424 D CB -0.468 40.308 40.800 -0.039 0.000 0.963 424 D HN 0.214 nan 8.370 nan 0.000 0.450 425 L N 0.255 121.461 121.223 -0.027 0.000 1.989 425 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 425 L C 2.212 179.065 176.870 -0.029 0.000 1.071 425 L CA 1.512 56.341 54.840 -0.019 0.000 0.749 425 L CB -0.954 41.113 42.059 0.014 0.000 0.890 425 L HN 0.014 nan 8.230 nan 0.000 0.431 426 F N 0.333 120.187 119.950 -0.160 0.000 2.126 426 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 426 F C 2.140 177.851 175.800 -0.148 0.000 1.096 426 F CA 1.831 59.686 58.000 -0.242 0.000 1.255 426 F CB -0.917 37.868 39.000 -0.357 0.000 0.997 426 F HN 0.137 nan 8.300 nan 0.000 0.479 427 G N 0.745 109.529 108.800 -0.028 0.000 2.432 427 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 427 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 427 G C 1.535 176.328 174.900 -0.178 0.000 1.135 427 G CA 0.768 45.812 45.100 -0.093 0.000 0.767 427 G HN 0.357 nan 8.290 nan 0.000 0.550 428 L N 0.142 121.275 121.223 -0.149 0.000 2.313 428 L HA 0.291 4.631 4.340 -0.000 0.000 0.214 428 L C 1.638 178.405 176.870 -0.172 0.000 1.119 428 L CA 0.533 55.295 54.840 -0.130 0.000 0.809 428 L CB -0.796 41.210 42.059 -0.088 0.000 0.933 428 L HN 0.298 nan 8.230 nan 0.000 0.449 429 M N 0.409 119.850 119.600 -0.266 0.000 2.238 429 M HA 0.056 4.536 4.480 -0.000 0.000 0.347 429 M C 0.962 177.094 176.300 -0.280 0.000 1.173 429 M CA -0.013 55.120 55.300 -0.278 0.000 1.147 429 M CB 0.621 32.996 32.600 -0.375 0.000 1.547 429 M HN 0.153 nan 8.290 nan 0.000 0.455 430 T N 0.244 114.682 114.554 -0.194 0.000 2.855 430 T HA 0.227 4.577 4.350 -0.000 0.000 0.314 430 T C 1.282 175.867 174.700 -0.192 0.000 1.077 430 T CA -0.277 61.729 62.100 -0.157 0.000 1.095 430 T CB 0.792 69.598 68.868 -0.103 0.000 0.987 430 T HN 0.732 nan 8.240 nan 0.000 0.546 431 A N 1.020 123.757 122.820 -0.140 0.000 1.927 431 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 431 A C 2.288 179.805 177.584 -0.111 0.000 1.185 431 A CA 2.368 54.339 52.037 -0.111 0.000 0.639 431 A CB -1.282 17.692 19.000 -0.042 0.000 0.820 431 A HN 1.093 nan 8.150 nan 0.000 0.451 432 E N 0.097 120.244 120.200 -0.089 0.000 2.038 432 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 432 E C 1.918 178.452 176.600 -0.111 0.000 1.000 432 E CA 2.141 58.497 56.400 -0.073 0.000 0.803 432 E CB -0.319 29.349 29.700 -0.053 0.000 0.750 432 E HN 0.593 nan 8.360 nan 0.000 0.448 433 K N -0.308 120.009 120.400 -0.139 0.000 2.147 433 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 433 K C 2.467 178.911 176.600 -0.259 0.000 1.049 433 K CA 1.744 57.934 56.287 -0.162 0.000 0.936 433 K CB -0.086 32.321 32.500 -0.155 0.000 0.722 433 K HN 0.286 nan 8.250 nan 0.000 0.446 434 Q N -0.275 119.300 119.800 -0.375 0.000 2.079 434 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 434 Q C 2.162 177.648 176.000 -0.857 0.000 0.974 434 Q CA 1.334 56.748 55.803 -0.648 0.000 0.840 434 Q CB -0.100 28.237 28.738 -0.669 0.000 0.898 434 Q HN 0.335 nan 8.270 nan 0.000 0.430 435 A N 0.825 123.404 122.820 -0.401 0.000 1.933 435 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 435 A C 2.015 179.562 177.584 -0.063 0.000 1.175 435 A CA 1.033 52.997 52.037 -0.122 0.000 0.628 435 A CB -0.552 18.468 19.000 0.033 0.000 0.814 435 A HN 0.293 nan 8.150 nan 0.000 0.444 436 I N -0.603 119.909 120.570 -0.097 0.000 2.179 436 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 436 I C 2.489 178.606 176.117 0.001 0.000 1.088 436 I CA 1.025 62.310 61.300 -0.025 0.000 1.357 436 I CB -0.279 37.703 38.000 -0.030 0.000 1.051 436 I HN 0.355 nan 8.210 nan 0.000 0.409 437 L N 0.429 121.600 121.223 -0.088 0.000 2.013 437 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 437 L C 2.642 179.631 176.870 0.198 0.000 1.073 437 L CA 2.065 56.909 54.840 0.006 0.000 0.753 437 L CB -0.403 41.582 42.059 -0.123 0.000 0.890 437 L HN 0.186 nan 8.230 nan 0.000 0.432 438 F N -0.076 119.996 119.950 0.203 0.000 2.102 438 F HA -0.296 4.231 4.527 -0.000 0.000 0.298 438 F C 2.408 178.293 175.800 0.143 0.000 1.105 438 F CA 1.071 59.187 58.000 0.193 0.000 1.239 438 F CB -0.365 38.735 39.000 0.167 0.000 0.991 438 F HN 0.260 nan 8.300 nan 0.000 0.474 439 D N 0.340 120.918 120.400 0.296 0.000 2.097 439 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 439 D C 1.611 178.013 176.300 0.170 0.000 0.984 439 D CA 1.698 55.814 54.000 0.194 0.000 0.826 439 D CB -0.382 40.503 40.800 0.141 0.000 0.973 439 D HN 0.211 nan 8.370 nan 0.000 0.460 440 N N -1.158 117.646 118.700 0.173 0.000 2.104 440 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 440 N C 1.566 177.209 175.510 0.223 0.000 1.024 440 N CA 1.583 54.741 53.050 0.180 0.000 0.853 440 N CB -0.041 38.553 38.487 0.178 0.000 1.008 440 N HN 0.163 nan 8.380 nan 0.000 0.424 441 T N 0.659 115.372 114.554 0.265 0.000 2.701 441 T HA -0.069 4.280 4.350 -0.000 0.000 0.263 441 T C 2.121 176.889 174.700 0.113 0.000 1.040 441 T CA 1.168 63.431 62.100 0.272 0.000 1.147 441 T CB -0.409 68.680 68.868 0.369 0.000 0.865 441 T HN 0.312 nan 8.240 nan 0.000 0.426 442 A N 1.736 124.628 122.820 0.119 0.000 1.940 442 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 442 A C 2.379 179.978 177.584 0.025 0.000 1.176 442 A CA 1.505 53.571 52.037 0.048 0.000 0.631 442 A CB -0.485 18.560 19.000 0.074 0.000 0.814 442 A HN 0.394 nan 8.150 nan 0.000 0.446 443 R N -0.949 119.592 120.500 0.068 0.000 2.119 443 R HA -0.007 4.333 4.340 -0.000 0.000 0.222 443 R C 2.012 178.355 176.300 0.071 0.000 1.088 443 R CA 0.874 57.012 56.100 0.062 0.000 0.984 443 R CB -0.300 30.047 30.300 0.080 0.000 0.884 443 R HN 0.588 nan 8.270 nan 0.000 0.447 444 N N 0.947 119.719 118.700 0.119 0.000 2.309 444 N HA -0.089 4.651 4.740 -0.000 0.000 0.182 444 N C 1.313 176.865 175.510 0.070 0.000 1.018 444 N CA 0.811 53.987 53.050 0.210 0.000 0.876 444 N CB 0.185 38.940 38.487 0.446 0.000 0.972 444 N HN 0.181 nan 8.380 nan 0.000 0.434 445 L N 0.723 121.828 121.223 -0.197 0.000 2.627 445 L HA 0.076 4.416 4.340 -0.000 0.000 0.233 445 L C 0.799 177.564 176.870 -0.175 0.000 1.144 445 L CA -0.157 54.428 54.840 -0.424 0.000 0.892 445 L CB -0.391 41.359 42.059 -0.514 0.000 1.039 445 L HN 0.100 nan 8.230 nan 0.000 0.442 446 N N 0.791 119.449 118.700 -0.069 0.000 2.447 446 N HA -0.010 4.730 4.740 -0.000 0.000 0.263 446 N C 1.144 176.640 175.510 -0.023 0.000 1.226 446 N CA 1.101 54.131 53.050 -0.034 0.000 0.906 446 N CB 0.806 39.292 38.487 -0.003 0.000 1.060 446 N HN 0.329 nan 8.380 nan 0.000 0.468 447 G N 2.066 110.849 108.800 -0.028 0.000 2.234 447 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 447 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 447 G C 0.150 175.042 174.900 -0.014 0.000 0.987 447 G CA 0.254 45.344 45.100 -0.016 0.000 0.625 447 G HN 0.549 nan 8.290 nan 0.000 0.532 448 V N 2.797 122.694 119.914 -0.029 0.000 2.572 448 V HA 0.351 4.471 4.120 -0.000 0.000 0.291 448 V C -1.232 174.858 176.094 -0.006 0.000 1.039 448 V CA -1.012 61.278 62.300 -0.017 0.000 1.055 448 V CB 0.990 32.769 31.823 -0.073 0.000 0.969 448 V HN 0.156 nan 8.190 nan 0.000 0.482 449 P HA -0.021 nan 4.420 nan 0.000 0.263 449 P C 0.826 178.153 177.300 0.045 0.000 1.175 449 P CA 0.199 63.313 63.100 0.023 0.000 0.761 449 P CB 0.455 32.173 31.700 0.030 0.000 0.794 450 K N 3.684 124.118 120.400 0.056 0.000 2.113 450 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 450 K C 1.725 178.438 176.600 0.189 0.000 1.047 450 K CA 1.644 58.014 56.287 0.139 0.000 0.928 450 K CB -0.001 32.553 32.500 0.090 0.000 0.716 450 K HN 0.555 nan 8.250 nan 0.000 0.446 451 E N 0.780 121.041 120.200 0.100 0.000 2.153 451 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 451 E C 1.918 178.534 176.600 0.026 0.000 0.988 451 E CA 1.232 57.666 56.400 0.058 0.000 0.811 451 E CB -0.397 29.326 29.700 0.038 0.000 0.746 451 E HN 0.453 nan 8.360 nan 0.000 0.466 452 I N 1.100 121.698 120.570 0.046 0.000 2.333 452 I HA -0.218 3.952 4.170 -0.000 0.000 0.246 452 I C 2.855 178.990 176.117 0.030 0.000 1.106 452 I CA 0.887 62.220 61.300 0.054 0.000 1.411 452 I CB -0.318 37.736 38.000 0.090 0.000 1.082 452 I HN 0.010 nan 8.210 nan 0.000 0.420 453 Q N 0.405 120.217 119.800 0.021 0.000 2.062 453 Q HA -0.288 4.052 4.340 -0.000 0.000 0.209 453 Q C 2.340 178.260 176.000 -0.133 0.000 0.996 453 Q CA 1.883 57.683 55.803 -0.005 0.000 0.859 453 Q CB -0.424 28.418 28.738 0.173 0.000 0.920 453 Q HN 0.379 nan 8.270 nan 0.000 0.415 454 L N 0.875 121.959 121.223 -0.231 0.000 2.083 454 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 454 L C 2.285 178.916 176.870 -0.399 0.000 1.083 454 L CA 1.649 56.126 54.840 -0.605 0.000 0.752 454 L CB -0.309 41.466 42.059 -0.473 0.000 0.899 454 L HN 0.071 nan 8.230 nan 0.000 0.433 455 R N -1.179 119.176 120.500 -0.241 0.000 2.103 455 R HA -0.253 4.087 4.340 -0.000 0.000 0.242 455 R C 2.326 178.394 176.300 -0.386 0.000 1.142 455 R CA 1.904 57.831 56.100 -0.288 0.000 0.960 455 R CB -0.816 29.406 30.300 -0.130 0.000 0.858 455 R HN 0.551 nan 8.270 nan 0.000 0.439 456 H N 0.354 119.284 119.070 -0.232 0.000 2.357 456 H HA -0.025 4.531 4.556 -0.000 0.000 0.301 456 H C 1.976 177.170 175.328 -0.223 0.000 1.082 456 H CA 1.584 57.576 56.048 -0.093 0.000 1.342 456 H CB -0.147 29.641 29.762 0.043 0.000 1.389 456 H HN -0.108 nan 8.280 nan 0.000 0.511 457 V N 0.022 119.672 119.914 -0.440 0.000 2.332 457 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 457 V C 2.396 178.175 176.094 -0.526 0.000 1.055 457 V CA 2.275 64.200 62.300 -0.625 0.000 1.038 457 V CB -0.954 30.375 31.823 -0.823 0.000 0.651 457 V HN 0.545 nan 8.190 nan 0.000 0.450 458 T N -1.166 113.142 114.554 -0.410 0.000 2.684 458 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 458 T C 1.853 176.429 174.700 -0.206 0.000 1.036 458 T CA 1.788 63.734 62.100 -0.256 0.000 1.148 458 T CB -0.398 68.305 68.868 -0.275 0.000 0.863 458 T HN 0.522 nan 8.240 nan 0.000 0.436 459 H N 0.362 119.309 119.070 -0.206 0.000 2.352 459 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 459 H C 2.701 177.860 175.328 -0.281 0.000 1.097 459 H CA 0.609 56.571 56.048 -0.144 0.000 1.311 459 H CB -1.051 28.788 29.762 0.128 0.000 1.377 459 H HN 0.391 nan 8.280 nan 0.000 0.504 460 C N 0.239 119.309 119.300 -0.383 0.000 2.429 460 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 460 C C 2.642 177.352 174.990 -0.467 0.000 1.262 460 C CA 0.596 59.157 59.018 -0.762 0.000 1.733 460 C CB -1.304 25.622 27.740 -1.356 0.000 2.010 460 C HN 0.549 nan 8.230 nan 0.000 0.483 461 Y N 1.930 121.983 120.300 -0.411 0.000 2.165 461 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 461 Y C 2.379 178.147 175.900 -0.220 0.000 1.155 461 Y CA 1.787 59.749 58.100 -0.230 0.000 1.164 461 Y CB -0.251 38.168 38.460 -0.068 0.000 0.978 461 Y HN 0.280 nan 8.280 nan 0.000 0.513 462 K N -0.394 119.900 120.400 -0.177 0.000 2.211 462 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 462 K C 2.255 178.706 176.600 -0.247 0.000 1.050 462 K CA 0.756 56.822 56.287 -0.368 0.000 0.945 462 K CB -0.211 31.695 32.500 -0.991 0.000 0.732 462 K HN 0.394 nan 8.250 nan 0.000 0.451 463 A N 1.027 123.775 122.820 -0.120 0.000 1.855 463 A HA -0.112 4.207 4.320 -0.000 0.000 0.215 463 A C 0.778 178.357 177.584 -0.008 0.000 1.191 463 A CA 1.214 53.300 52.037 0.081 0.000 0.613 463 A CB 0.131 19.266 19.000 0.226 0.000 0.829 463 A HN 0.268 nan 8.150 nan 0.000 0.442 464 D N -3.410 116.905 120.400 -0.141 0.000 2.871 464 D HA 0.259 4.899 4.640 -0.000 0.000 0.209 464 D C -2.638 173.419 176.300 -0.405 0.000 1.292 464 D CA -1.208 52.667 54.000 -0.208 0.000 0.869 464 D CB 1.563 42.273 40.800 -0.151 0.000 1.663 464 D HN -0.200 nan 8.370 nan 0.000 0.557 465 P HA -0.111 nan 4.420 nan 0.000 0.216 465 P C 1.030 178.141 177.300 -0.315 0.000 1.150 465 P CA 1.614 64.199 63.100 -0.858 0.000 0.843 465 P CB 0.282 31.634 31.700 -0.580 0.000 0.787 466 A N -2.021 120.721 122.820 -0.131 0.000 2.014 466 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 466 A C 2.187 179.773 177.584 0.003 0.000 1.163 466 A CA 0.974 53.041 52.037 0.051 0.000 0.652 466 A CB -1.627 17.540 19.000 0.278 0.000 0.808 466 A HN 0.108 nan 8.150 nan 0.000 0.449 467 Y N 0.940 120.898 120.300 -0.572 0.000 2.109 467 Y HA -0.030 4.519 4.550 -0.000 0.000 0.285 467 Y C 2.457 178.159 175.900 -0.331 0.000 1.131 467 Y CA 1.119 58.812 58.100 -0.679 0.000 1.121 467 Y CB -1.173 36.561 38.460 -1.210 0.000 0.987 467 Y HN 0.224 nan 8.280 nan 0.000 0.495 468 G N -0.137 108.477 108.800 -0.310 0.000 2.491 468 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 468 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 468 G C 1.663 176.353 174.900 -0.350 0.000 1.180 468 G CA 1.047 45.943 45.100 -0.340 0.000 0.774 468 G HN 0.529 nan 8.290 nan 0.000 0.562 469 E N 0.160 120.330 120.200 -0.051 0.000 2.110 469 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 469 E C 2.680 179.128 176.600 -0.253 0.000 0.988 469 E CA 0.847 57.258 56.400 0.020 0.000 0.804 469 E CB -0.498 29.297 29.700 0.159 0.000 0.745 469 E HN 0.341 nan 8.360 nan 0.000 0.458 470 G N 1.015 109.470 108.800 -0.575 0.000 2.440 470 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 470 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 470 G C 1.517 175.865 174.900 -0.920 0.000 1.154 470 G CA 1.073 45.340 45.100 -1.389 0.000 0.767 470 G HN 0.257 nan 8.290 nan 0.000 0.552 471 I N 0.829 121.071 120.570 -0.547 0.000 2.480 471 I HA 0.097 4.267 4.170 -0.000 0.000 0.251 471 I C 3.043 179.054 176.117 -0.176 0.000 1.124 471 I CA 0.661 61.833 61.300 -0.213 0.000 1.444 471 I CB -0.351 37.583 38.000 -0.110 0.000 1.098 471 I HN 0.196 nan 8.210 nan 0.000 0.428 472 G N 1.220 109.838 108.800 -0.304 0.000 2.476 472 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 472 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 472 G C 1.722 176.658 174.900 0.059 0.000 1.164 472 G CA 0.796 45.792 45.100 -0.173 0.000 0.768 472 G HN 0.276 nan 8.290 nan 0.000 0.560 473 K N -0.221 120.177 120.400 -0.002 0.000 2.032 473 K HA 0.019 4.339 4.320 -0.000 0.000 0.209 473 K C 2.533 179.133 176.600 -0.001 0.000 1.048 473 K CA 1.022 57.318 56.287 0.014 0.000 0.927 473 K CB -0.307 32.183 32.500 -0.017 0.000 0.712 473 K HN 0.283 nan 8.250 nan 0.000 0.441 474 L N 0.613 121.825 121.223 -0.018 0.000 2.141 474 L HA -0.139 4.200 4.340 -0.000 0.000 0.209 474 L C 1.939 178.798 176.870 -0.018 0.000 1.094 474 L CA 0.864 55.703 54.840 -0.001 0.000 0.763 474 L CB -0.208 41.867 42.059 0.026 0.000 0.908 474 L HN 0.190 nan 8.230 nan 0.000 0.437 475 L N -0.538 120.677 121.223 -0.013 0.000 2.592 475 L HA 0.187 4.527 4.340 -0.000 0.000 0.227 475 L C 1.419 178.132 176.870 -0.262 0.000 1.127 475 L CA 0.420 55.210 54.840 -0.083 0.000 0.884 475 L CB -0.251 41.848 42.059 0.066 0.000 1.065 475 L HN 0.457 nan 8.230 nan 0.000 0.457 476 G N 0.111 108.829 108.800 -0.137 0.000 2.155 476 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 476 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 476 G C 0.184 174.983 174.900 -0.168 0.000 0.983 476 G CA -0.213 44.794 45.100 -0.154 0.000 0.676 476 G HN 0.217 nan 8.290 nan 0.000 0.528 477 F N 0.702 120.665 119.950 0.022 0.000 2.450 477 F HA 0.430 4.956 4.527 -0.000 0.000 0.339 477 F C 1.036 176.902 175.800 0.111 0.000 1.146 477 F CA 0.162 58.211 58.000 0.080 0.000 1.267 477 F CB 0.567 39.657 39.000 0.149 0.000 1.178 477 F HN 0.124 nan 8.300 nan 0.000 0.585 478 D N 1.692 122.250 120.400 0.264 0.000 2.302 478 D HA 0.114 4.754 4.640 -0.000 0.000 0.248 478 D C 1.064 177.313 176.300 -0.086 0.000 1.094 478 D CA -0.159 53.889 54.000 0.081 0.000 0.897 478 D CB 0.887 41.695 40.800 0.014 0.000 1.200 478 D HN 0.547 nan 8.370 nan 0.000 0.429 479 I N 2.596 123.021 120.570 -0.241 0.000 2.315 479 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 479 I C 1.935 177.577 176.117 -0.792 0.000 1.125 479 I CA 1.557 62.421 61.300 -0.726 0.000 1.392 479 I CB -0.051 37.725 38.000 -0.373 0.000 1.065 479 I HN 0.558 nan 8.210 nan 0.000 0.424 480 S N -0.197 115.260 115.700 -0.406 0.000 2.442 480 S HA -0.199 4.271 4.470 -0.000 0.000 0.236 480 S C 1.652 176.065 174.600 -0.313 0.000 1.007 480 S CA 1.249 59.258 58.200 -0.319 0.000 0.965 480 S CB -0.561 62.531 63.200 -0.179 0.000 0.773 480 S HN 0.617 nan 8.310 nan 0.000 0.504 481 E N 0.316 120.342 120.200 -0.290 0.000 2.208 481 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 481 E C 1.092 177.568 176.600 -0.206 0.000 0.988 481 E CA 1.238 57.542 56.400 -0.160 0.000 0.828 481 E CB -0.146 29.570 29.700 0.025 0.000 0.763 481 E HN 1.065 nan 8.360 nan 0.000 0.478 482 Y N -1.328 118.773 120.300 -0.332 0.000 2.672 482 Y HA 0.308 4.858 4.550 -0.000 0.000 0.252 482 Y C 0.851 176.341 175.900 -0.682 0.000 1.132 482 Y CA -0.505 57.331 58.100 -0.439 0.000 1.228 482 Y CB -0.454 37.738 38.460 -0.447 0.000 1.310 482 Y HN -0.096 nan 8.280 nan 0.000 0.549 483 N N 1.034 119.198 118.700 -0.893 0.000 2.336 483 N HA 0.119 4.858 4.740 -0.000 0.000 0.189 483 N C -0.051 175.093 175.510 -0.609 0.000 1.113 483 N CA 0.660 52.978 53.050 -1.220 0.000 0.858 483 N CB 0.059 37.990 38.487 -0.927 0.000 0.970 483 N HN 0.379 nan 8.380 nan 0.000 0.471 484 S N 0.000 115.478 115.700 -0.369 0.000 2.498 484 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 484 S CA 0.000 58.092 58.200 -0.180 0.000 1.107 484 S CB 0.000 63.118 63.200 -0.137 0.000 0.593 484 S HN 0.000 nan 8.310 nan 0.000 0.517