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 2hhv_1_A DATA FIRST_RESID 297 DATA SEQUENCE KKMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQAHLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK 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 297 K HA 0.000 nan 4.320 nan 0.000 0.191 297 K C 0.000 176.601 176.600 0.002 0.000 0.988 297 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 297 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 298 K N 1.496 121.898 120.400 0.003 0.000 2.380 298 K HA 0.696 5.014 4.320 -0.004 0.000 0.267 298 K C 0.524 177.145 176.600 0.035 0.000 0.990 298 K CA 0.646 56.945 56.287 0.020 0.000 0.946 298 K CB 0.450 32.953 32.500 0.006 0.000 0.937 298 K HN 1.166 nan 8.250 nan 0.000 0.491 299 M N 2.191 121.841 119.600 0.082 0.000 2.157 299 M HA 0.518 4.996 4.480 -0.004 0.000 0.354 299 M C 0.210 176.599 176.300 0.149 0.000 1.170 299 M CA -0.479 54.887 55.300 0.111 0.000 1.060 299 M CB 1.290 33.972 32.600 0.137 0.000 1.615 299 M HN 0.810 nan 8.290 nan 0.000 0.460 300 A N 5.239 128.096 122.820 0.062 0.000 2.425 300 A HA 0.645 4.963 4.320 -0.004 0.000 0.249 300 A C -0.849 176.779 177.584 0.074 0.000 1.084 300 A CA -0.168 51.853 52.037 -0.027 0.000 0.781 300 A CB -0.134 18.830 19.000 -0.060 0.000 1.019 300 A HN 0.911 nan 8.150 nan 0.000 0.490 301 F N -1.385 118.506 119.950 -0.099 0.000 2.770 301 F HA 0.589 5.113 4.527 -0.006 0.000 0.313 301 F C -0.670 175.066 175.800 -0.108 0.000 1.154 301 F CA -0.807 57.108 58.000 -0.142 0.000 0.923 301 F CB 0.774 39.718 39.000 -0.092 0.000 1.301 301 F HN 0.319 nan 8.300 nan 0.000 0.449 302 T N 3.130 117.740 114.554 0.094 0.000 2.744 302 T HA 0.416 4.764 4.350 -0.004 0.000 0.291 302 T C -0.480 174.440 174.700 0.367 0.000 0.957 302 T CA -0.332 61.828 62.100 0.101 0.000 1.002 302 T CB 1.054 69.982 68.868 0.100 0.000 0.919 302 T HN 0.763 nan 8.240 nan 0.000 0.468 303 L N 4.021 125.405 121.223 0.269 0.000 2.358 303 L HA 0.541 4.879 4.340 -0.004 0.000 0.274 303 L C 0.614 177.636 176.870 0.253 0.000 1.136 303 L CA -0.616 54.466 54.840 0.402 0.000 0.970 303 L CB -0.357 41.888 42.059 0.309 0.000 1.314 303 L HN 0.733 nan 8.230 nan 0.000 0.427 304 A N 2.615 125.579 122.820 0.240 0.000 2.445 304 A HA 0.136 4.454 4.320 -0.004 0.000 0.242 304 A C 0.522 178.143 177.584 0.061 0.000 1.075 304 A CA -0.237 51.874 52.037 0.124 0.000 0.777 304 A CB 0.252 19.306 19.000 0.090 0.000 1.013 304 A HN 0.735 nan 8.150 nan 0.000 0.493 305 D N 0.046 120.463 120.400 0.027 0.000 2.389 305 D HA 0.102 4.740 4.640 -0.004 0.000 0.206 305 D C 0.444 176.723 176.300 -0.036 0.000 1.055 305 D CA 0.627 54.629 54.000 0.004 0.000 0.856 305 D CB 0.322 41.129 40.800 0.012 0.000 0.957 305 D HN 0.744 nan 8.370 nan 0.000 0.509 306 R N -0.875 119.594 120.500 -0.052 0.000 2.680 306 R HA 0.532 4.870 4.340 -0.004 0.000 0.269 306 R C -1.044 175.186 176.300 -0.118 0.000 1.026 306 R CA -0.806 55.246 56.100 -0.080 0.000 0.889 306 R CB 1.239 31.506 30.300 -0.054 0.000 1.241 306 R HN -0.319 nan 8.270 nan 0.000 0.463 307 V N 1.648 121.474 119.914 -0.147 0.000 2.686 307 V HA 0.331 4.449 4.120 -0.004 0.000 0.295 307 V C 0.490 176.493 176.094 -0.152 0.000 1.055 307 V CA 0.209 62.398 62.300 -0.184 0.000 1.050 307 V CB 1.159 32.888 31.823 -0.157 0.000 0.984 307 V HN 0.990 nan 8.190 nan 0.000 0.482 308 T N 0.001 114.430 114.554 -0.210 0.000 2.916 308 T HA 0.445 4.793 4.350 -0.004 0.000 0.292 308 T C 0.689 175.255 174.700 -0.224 0.000 1.064 308 T CA -0.743 61.247 62.100 -0.184 0.000 1.011 308 T CB 1.878 70.644 68.868 -0.170 0.000 1.152 308 T HN 0.578 nan 8.240 nan 0.000 0.510 309 E N 0.415 120.513 120.200 -0.170 0.000 2.097 309 E HA -0.202 4.146 4.350 -0.004 0.000 0.196 309 E C 1.810 178.279 176.600 -0.217 0.000 1.000 309 E CA 1.541 57.843 56.400 -0.163 0.000 0.804 309 E CB -0.055 29.576 29.700 -0.115 0.000 0.740 309 E HN 0.766 nan 8.360 nan 0.000 0.454 310 E N 0.003 120.048 120.200 -0.259 0.000 2.219 310 E HA -0.192 4.156 4.350 -0.004 0.000 0.198 310 E C 1.798 178.220 176.600 -0.297 0.000 0.998 310 E CA 0.959 57.194 56.400 -0.275 0.000 0.818 310 E CB -0.040 29.534 29.700 -0.211 0.000 0.741 310 E HN 0.328 nan 8.360 nan 0.000 0.477 311 M N -0.070 119.185 119.600 -0.576 0.000 2.595 311 M HA 0.005 4.483 4.480 -0.004 0.000 0.248 311 M C 0.837 176.707 176.300 -0.716 0.000 1.119 311 M CA 0.610 55.452 55.300 -0.765 0.000 1.079 311 M CB 0.421 32.529 32.600 -0.820 0.000 1.472 311 M HN 0.004 nan 8.290 nan 0.000 0.501 312 L N 0.077 120.964 121.223 -0.561 0.000 3.094 312 L HA 0.450 4.788 4.340 -0.004 0.000 0.254 312 L C 0.708 177.492 176.870 -0.142 0.000 1.298 312 L CA -0.828 53.567 54.840 -0.742 0.000 1.050 312 L CB -0.501 41.283 42.059 -0.458 0.000 1.420 312 L HN 0.035 nan 8.230 nan 0.000 0.548 313 A N 0.518 123.345 122.820 0.011 0.000 2.429 313 A HA 0.083 4.401 4.320 -0.004 0.000 0.242 313 A C 0.939 178.731 177.584 0.348 0.000 1.088 313 A CA 0.148 52.305 52.037 0.200 0.000 0.784 313 A CB 0.203 19.304 19.000 0.169 0.000 1.038 313 A HN 0.555 nan 8.150 nan 0.000 0.501 314 D N -0.807 119.745 120.400 0.254 0.000 2.363 314 D HA 0.076 4.714 4.640 -0.004 0.000 0.226 314 D C 0.294 176.715 176.300 0.202 0.000 1.020 314 D CA 0.763 54.894 54.000 0.218 0.000 0.892 314 D CB -0.018 40.862 40.800 0.134 0.000 0.900 314 D HN 0.440 nan 8.370 nan 0.000 0.531 315 K N -0.326 120.231 120.400 0.263 0.000 2.565 315 K HA 0.633 4.951 4.320 -0.004 0.000 0.251 315 K C -2.025 174.818 176.600 0.406 0.000 0.956 315 K CA -0.726 55.737 56.287 0.293 0.000 0.809 315 K CB 1.825 34.481 32.500 0.260 0.000 1.267 315 K HN 0.050 nan 8.250 nan 0.000 0.438 316 A N 1.921 125.008 122.820 0.446 0.000 2.608 316 A HA 0.765 5.083 4.320 -0.004 0.000 0.292 316 A C -1.775 176.060 177.584 0.418 0.000 1.066 316 A CA -0.540 51.728 52.037 0.386 0.000 0.676 316 A CB 1.416 20.612 19.000 0.327 0.000 1.277 316 A HN 0.722 nan 8.150 nan 0.000 0.413 317 A N 0.332 123.358 122.820 0.344 0.000 2.301 317 A HA 0.670 4.988 4.320 -0.004 0.000 0.298 317 A C -0.702 177.022 177.584 0.234 0.000 1.185 317 A CA -0.240 51.997 52.037 0.334 0.000 0.830 317 A CB 0.358 19.570 19.000 0.352 0.000 1.112 317 A HN 1.907 nan 8.150 nan 0.000 0.508 318 L N 3.398 124.757 121.223 0.226 0.000 2.365 318 L HA 0.741 5.078 4.340 -0.004 0.000 0.273 318 L C -1.149 175.816 176.870 0.158 0.000 1.000 318 L CA -0.329 54.645 54.840 0.222 0.000 0.819 318 L CB 2.237 44.455 42.059 0.264 0.000 1.284 318 L HN 0.388 nan 8.230 nan 0.000 0.418 319 V N 5.573 125.571 119.914 0.141 0.000 2.443 319 V HA 0.503 4.621 4.120 -0.004 0.000 0.293 319 V C -0.760 175.396 176.094 0.103 0.000 1.021 319 V CA -0.575 61.787 62.300 0.103 0.000 0.848 319 V CB 1.897 33.760 31.823 0.067 0.000 0.998 319 V HN 0.509 nan 8.190 nan 0.000 0.424 320 V N 4.053 124.020 119.914 0.088 0.000 2.289 320 V HA 0.341 4.459 4.120 -0.004 0.000 0.272 320 V C 0.006 176.134 176.094 0.056 0.000 1.026 320 V CA -0.642 61.703 62.300 0.076 0.000 0.807 320 V CB 1.375 33.241 31.823 0.072 0.000 1.044 320 V HN 0.924 nan 8.190 nan 0.000 0.443 321 E N 3.616 123.856 120.200 0.066 0.000 2.257 321 E HA 0.354 4.702 4.350 -0.004 0.000 0.278 321 E C -0.790 175.830 176.600 0.033 0.000 1.049 321 E CA 0.134 56.575 56.400 0.068 0.000 0.876 321 E CB 1.116 30.890 29.700 0.123 0.000 1.035 321 E HN 0.426 nan 8.360 nan 0.000 0.419 322 V N 6.460 126.381 119.914 0.011 0.000 2.349 322 V HA 0.100 4.218 4.120 -0.004 0.000 0.284 322 V C 0.811 176.875 176.094 -0.051 0.000 1.014 322 V CA -0.552 61.744 62.300 -0.007 0.000 0.826 322 V CB 1.404 33.239 31.823 0.020 0.000 1.009 322 V HN 0.682 nan 8.190 nan 0.000 0.431 323 V N 2.215 122.046 119.914 -0.137 0.000 2.488 323 V HA 0.016 4.134 4.120 -0.004 0.000 0.246 323 V C 1.280 177.279 176.094 -0.159 0.000 1.046 323 V CA 0.948 63.081 62.300 -0.279 0.000 1.053 323 V CB -0.213 31.323 31.823 -0.478 0.000 0.679 323 V HN 0.792 nan 8.190 nan 0.000 0.458 324 E N 0.818 120.963 120.200 -0.091 0.000 2.465 324 E HA -0.038 4.310 4.350 -0.004 0.000 0.260 324 E C 1.141 177.722 176.600 -0.031 0.000 0.980 324 E CA 0.208 56.572 56.400 -0.061 0.000 0.927 324 E CB 0.784 30.451 29.700 -0.055 0.000 0.934 324 E HN 0.508 nan 8.360 nan 0.000 0.459 325 E N 1.863 122.043 120.200 -0.033 0.000 2.085 325 E HA -0.176 4.172 4.350 -0.004 0.000 0.194 325 E C 0.669 177.228 176.600 -0.069 0.000 0.994 325 E CA 0.726 57.114 56.400 -0.019 0.000 0.801 325 E CB 0.136 29.824 29.700 -0.020 0.000 0.743 325 E HN 0.268 nan 8.360 nan 0.000 0.453 326 N N 0.367 118.997 118.700 -0.116 0.000 2.437 326 N HA -0.031 4.707 4.740 -0.004 0.000 0.243 326 N C -0.128 175.252 175.510 -0.218 0.000 1.041 326 N CA -0.091 52.817 53.050 -0.236 0.000 0.940 326 N CB 0.491 38.889 38.487 -0.148 0.000 1.133 326 N HN 0.091 nan 8.380 nan 0.000 0.506 327 Y N 1.286 121.493 120.300 -0.156 0.000 2.529 327 Y HA 0.246 4.794 4.550 -0.003 0.000 0.290 327 Y C 0.352 176.102 175.900 -0.251 0.000 1.177 327 Y CA -0.390 57.602 58.100 -0.180 0.000 1.305 327 Y CB -0.808 37.566 38.460 -0.144 0.000 1.047 327 Y HN 0.370 nan 8.280 nan 0.000 0.522 328 H N 2.850 121.843 119.070 -0.129 0.000 3.026 328 H HA 0.018 4.572 4.556 -0.003 0.000 0.289 328 H C 0.321 175.081 175.328 -0.946 0.000 1.022 328 H CA 0.896 56.694 56.048 -0.416 0.000 1.477 328 H CB 0.375 29.955 29.762 -0.303 0.000 1.510 328 H HN 0.350 nan 8.280 nan 0.000 0.535 329 D N 0.884 120.416 120.400 -1.448 0.000 2.837 329 D HA -0.177 4.461 4.640 -0.004 0.000 0.230 329 D C -0.212 175.872 176.300 -0.359 0.000 1.152 329 D CA 0.885 54.331 54.000 -0.924 0.000 0.736 329 D CB -0.726 39.390 40.800 -1.140 0.000 1.084 329 D HN 0.750 nan 8.370 nan 0.000 0.429 330 A N -0.082 122.606 122.820 -0.219 0.000 2.279 330 A HA 0.710 5.028 4.320 -0.004 0.000 0.303 330 A C -2.185 175.376 177.584 -0.038 0.000 1.108 330 A CA -1.066 50.909 52.037 -0.103 0.000 0.830 330 A CB 0.764 19.728 19.000 -0.060 0.000 1.106 330 A HN 0.084 nan 8.150 nan 0.000 0.493 331 P HA 0.342 nan 4.420 nan 0.000 0.271 331 P C -0.934 176.369 177.300 0.005 0.000 1.218 331 P CA 0.105 63.201 63.100 -0.006 0.000 0.780 331 P CB 0.447 32.142 31.700 -0.008 0.000 0.901 332 I N 2.595 123.176 120.570 0.017 0.000 2.312 332 I HA 0.060 4.228 4.170 -0.004 0.000 0.290 332 I C 1.456 177.589 176.117 0.026 0.000 1.008 332 I CA -0.500 60.813 61.300 0.023 0.000 1.226 332 I CB 1.533 39.550 38.000 0.029 0.000 1.371 332 I HN 0.201 nan 8.210 nan 0.000 0.468 333 V N 3.091 123.030 119.914 0.041 0.000 3.235 333 V HA 0.491 4.609 4.120 -0.004 0.000 0.259 333 V C 0.715 176.880 176.094 0.119 0.000 1.133 333 V CA 0.690 63.035 62.300 0.075 0.000 1.128 333 V CB -0.327 31.547 31.823 0.085 0.000 0.757 333 V HN 0.804 nan 8.190 nan 0.000 0.469 334 G N -0.625 108.229 108.800 0.089 0.000 2.489 334 G HA2 0.623 4.581 3.960 -0.004 0.000 0.291 334 G HA3 0.623 4.581 3.960 -0.004 0.000 0.291 334 G C -1.799 173.074 174.900 -0.046 0.000 1.487 334 G CA -0.714 44.419 45.100 0.054 0.000 0.795 334 G HN 0.190 nan 8.290 nan 0.000 0.513 335 I N 0.332 120.731 120.570 -0.285 0.000 2.619 335 I HA 0.687 4.855 4.170 -0.004 0.000 0.292 335 I C 0.031 176.039 176.117 -0.182 0.000 1.100 335 I CA -0.971 60.226 61.300 -0.171 0.000 1.043 335 I CB 2.335 40.224 38.000 -0.186 0.000 1.239 335 I HN 0.817 nan 8.210 nan 0.000 0.420 336 A N 5.588 128.415 122.820 0.010 0.000 2.414 336 A HA 0.904 5.221 4.320 -0.004 0.000 0.306 336 A C -1.357 176.286 177.584 0.098 0.000 1.054 336 A CA -0.551 51.520 52.037 0.056 0.000 0.724 336 A CB 1.887 20.924 19.000 0.062 0.000 1.267 336 A HN 0.395 nan 8.150 nan 0.000 0.418 337 V N 2.119 122.108 119.914 0.126 0.000 2.577 337 V HA 0.552 4.670 4.120 -0.004 0.000 0.303 337 V C -0.788 175.389 176.094 0.138 0.000 1.042 337 V CA -0.499 61.887 62.300 0.144 0.000 0.872 337 V CB 1.793 33.670 31.823 0.089 0.000 0.998 337 V HN 0.719 nan 8.190 nan 0.000 0.423 338 V N 5.494 125.396 119.914 -0.020 0.000 2.531 338 V HA 0.672 4.790 4.120 -0.004 0.000 0.301 338 V C -0.423 175.282 176.094 -0.647 0.000 1.034 338 V CA -0.458 61.678 62.300 -0.274 0.000 0.865 338 V CB 1.851 33.473 31.823 -0.335 0.000 0.995 338 V HN 1.131 nan 8.190 nan 0.000 0.424 339 N N 2.300 120.606 118.700 -0.657 0.000 3.418 339 N HA 0.256 4.994 4.740 -0.004 0.000 0.316 339 N C 0.731 175.903 175.510 -0.563 0.000 1.601 339 N CA -0.368 52.191 53.050 -0.819 0.000 0.805 339 N CB 0.560 38.906 38.487 -0.235 0.000 1.873 339 N HN 0.524 nan 8.380 nan 0.000 0.615 340 E N -1.311 118.719 120.200 -0.284 0.000 2.265 340 E HA -0.235 4.113 4.350 -0.004 0.000 0.196 340 E C 0.261 176.737 176.600 -0.208 0.000 0.996 340 E CA 1.235 57.539 56.400 -0.160 0.000 0.832 340 E CB -0.470 29.127 29.700 -0.173 0.000 0.756 340 E HN 0.538 nan 8.360 nan 0.000 0.491 341 H N 0.405 119.512 119.070 0.062 0.000 2.551 341 H HA 0.345 4.899 4.556 -0.004 0.000 0.266 341 H C 1.159 176.520 175.328 0.054 0.000 0.964 341 H CA 0.911 57.022 56.048 0.105 0.000 1.180 341 H CB 1.066 30.935 29.762 0.178 0.000 1.408 341 H HN 0.382 nan 8.280 nan 0.000 0.563 342 G N 0.250 109.054 108.800 0.007 0.000 2.339 342 G HA2 0.101 4.059 3.960 -0.004 0.000 0.275 342 G HA3 0.101 4.059 3.960 -0.004 0.000 0.275 342 G C -1.406 173.188 174.900 -0.509 0.000 1.323 342 G CA -1.154 43.769 45.100 -0.295 0.000 0.927 342 G HN 0.114 nan 8.290 nan 0.000 0.486 343 R N -0.533 119.541 120.500 -0.710 0.000 2.494 343 R HA 0.700 5.038 4.340 -0.004 0.000 0.305 343 R C -1.476 174.437 176.300 -0.644 0.000 0.959 343 R CA -0.467 55.355 56.100 -0.463 0.000 0.864 343 R CB 1.566 31.776 30.300 -0.150 0.000 1.159 343 R HN 0.318 nan 8.270 nan 0.000 0.446 344 F N 1.805 121.782 119.950 0.046 0.000 2.576 344 F HA 0.480 5.008 4.527 0.002 0.000 0.313 344 F C -0.585 175.261 175.800 0.077 0.000 1.078 344 F CA -1.133 56.920 58.000 0.089 0.000 0.921 344 F CB 1.530 40.529 39.000 -0.001 0.000 1.232 344 F HN 0.342 nan 8.300 nan 0.000 0.459 345 F N 3.544 123.596 119.950 0.171 0.000 2.507 345 F HA 0.812 5.337 4.527 -0.003 0.000 0.325 345 F C -1.799 174.025 175.800 0.040 0.000 1.116 345 F CA -0.942 57.072 58.000 0.022 0.000 0.930 345 F CB 1.070 40.042 39.000 -0.047 0.000 1.146 345 F HN 0.337 nan 8.300 nan 0.000 0.447 346 L N 6.243 126.944 121.223 -0.870 0.000 2.386 346 L HA 0.564 4.902 4.340 -0.004 0.000 0.271 346 L C -0.356 175.977 176.870 -0.895 0.000 0.993 346 L CA -1.045 53.381 54.840 -0.689 0.000 0.819 346 L CB 2.206 43.928 42.059 -0.561 0.000 1.294 346 L HN 0.576 nan 8.230 nan 0.000 0.414 347 R N 3.414 123.619 120.500 -0.492 0.000 2.438 347 R HA 0.143 4.481 4.340 -0.004 0.000 0.287 347 R C -1.501 174.643 176.300 -0.260 0.000 1.077 347 R CA -1.448 54.478 56.100 -0.290 0.000 1.034 347 R CB 0.819 31.072 30.300 -0.078 0.000 0.993 347 R HN 0.394 nan 8.270 nan 0.000 0.459 348 P HA -0.252 nan 4.420 nan 0.000 0.215 348 P C 0.802 178.048 177.300 -0.089 0.000 1.153 348 P CA 1.494 64.519 63.100 -0.126 0.000 0.853 348 P CB 0.161 31.828 31.700 -0.055 0.000 0.788 349 E N -0.150 120.014 120.200 -0.059 0.000 2.204 349 E HA -0.126 4.222 4.350 -0.004 0.000 0.195 349 E C 1.512 178.079 176.600 -0.056 0.000 0.990 349 E CA 1.507 57.885 56.400 -0.037 0.000 0.821 349 E CB -1.631 28.059 29.700 -0.017 0.000 0.750 349 E HN 0.205 nan 8.360 nan 0.000 0.477 350 T N 1.230 115.726 114.554 -0.097 0.000 2.814 350 T HA 0.186 4.533 4.350 -0.004 0.000 0.254 350 T C 2.065 176.666 174.700 -0.166 0.000 1.037 350 T CA 1.424 63.455 62.100 -0.115 0.000 1.143 350 T CB -0.297 68.493 68.868 -0.131 0.000 0.866 350 T HN 0.389 nan 8.240 nan 0.000 0.431 351 A N 1.569 124.214 122.820 -0.291 0.000 1.877 351 A HA 0.049 4.367 4.320 -0.004 0.000 0.216 351 A C 2.149 179.641 177.584 -0.155 0.000 1.186 351 A CA 1.202 52.942 52.037 -0.494 0.000 0.620 351 A CB -0.941 17.468 19.000 -0.985 0.000 0.822 351 A HN 0.479 nan 8.150 nan 0.000 0.443 352 L N -1.091 120.106 121.223 -0.043 0.000 2.622 352 L HA -0.015 4.323 4.340 -0.004 0.000 0.233 352 L C 2.336 179.247 176.870 0.068 0.000 1.156 352 L CA 0.573 55.467 54.840 0.090 0.000 0.866 352 L CB -0.286 41.814 42.059 0.067 0.000 0.980 352 L HN 0.459 nan 8.230 nan 0.000 0.448 353 A N -1.303 121.532 122.820 0.025 0.000 2.343 353 A HA 0.014 4.332 4.320 -0.004 0.000 0.223 353 A C 0.439 178.042 177.584 0.031 0.000 1.214 353 A CA -0.208 51.844 52.037 0.024 0.000 0.900 353 A CB -0.082 18.919 19.000 0.002 0.000 0.942 353 A HN 0.274 nan 8.150 nan 0.000 0.507 354 D N 0.058 120.484 120.400 0.043 0.000 2.325 354 D HA 0.353 4.990 4.640 -0.004 0.000 0.251 354 D C -1.677 174.684 176.300 0.102 0.000 1.196 354 D CA -1.726 52.307 54.000 0.055 0.000 0.866 354 D CB 1.376 42.199 40.800 0.037 0.000 1.101 354 D HN -0.024 nan 8.370 nan 0.000 0.476 355 P HA -0.194 nan 4.420 nan 0.000 0.216 355 P C 0.958 178.306 177.300 0.080 0.000 1.153 355 P CA 1.156 64.294 63.100 0.063 0.000 0.858 355 P CB 0.249 31.972 31.700 0.038 0.000 0.789 356 Q N -1.985 117.864 119.800 0.083 0.000 2.119 356 Q HA -0.117 4.221 4.340 -0.004 0.000 0.201 356 Q C 1.940 178.029 176.000 0.148 0.000 0.972 356 Q CA 1.338 57.194 55.803 0.088 0.000 0.847 356 Q CB -1.279 27.489 28.738 0.050 0.000 0.903 356 Q HN 0.246 nan 8.270 nan 0.000 0.433 357 F N -0.262 119.701 119.950 0.022 0.000 2.146 357 F HA -0.139 4.385 4.527 -0.004 0.000 0.298 357 F C 1.853 177.752 175.800 0.164 0.000 1.096 357 F CA 0.781 58.821 58.000 0.067 0.000 1.275 357 F CB -0.152 38.842 39.000 -0.011 0.000 1.008 357 F HN -0.147 nan 8.300 nan 0.000 0.480 358 V N 0.356 120.380 119.914 0.182 0.000 2.343 358 V HA -0.310 3.808 4.120 -0.004 0.000 0.247 358 V C 2.688 178.783 176.094 0.001 0.000 1.051 358 V CA 1.752 64.096 62.300 0.072 0.000 1.036 358 V CB -1.514 30.362 31.823 0.088 0.000 0.654 358 V HN 0.455 nan 8.190 nan 0.000 0.451 359 A N -0.980 121.862 122.820 0.037 0.000 1.902 359 A HA -0.275 4.043 4.320 -0.004 0.000 0.217 359 A C 1.951 179.540 177.584 0.009 0.000 1.181 359 A CA 1.874 53.922 52.037 0.018 0.000 0.623 359 A CB -0.879 18.145 19.000 0.041 0.000 0.818 359 A HN 0.740 nan 8.150 nan 0.000 0.443 360 W N 0.711 121.905 121.300 -0.177 0.000 2.355 360 W HA -0.157 4.501 4.660 -0.004 0.000 0.309 360 W C 1.719 178.079 176.519 -0.265 0.000 1.206 360 W CA 1.876 59.090 57.345 -0.218 0.000 1.284 360 W CB -0.371 28.919 29.460 -0.282 0.000 1.145 360 W HN 0.247 nan 8.180 nan 0.000 0.502 361 L N 0.277 121.318 121.223 -0.304 0.000 2.079 361 L HA -0.124 4.214 4.340 -0.004 0.000 0.210 361 L C 2.475 179.121 176.870 -0.373 0.000 1.081 361 L CA 1.570 56.131 54.840 -0.464 0.000 0.752 361 L CB -1.355 40.532 42.059 -0.288 0.000 0.896 361 L HN 0.254 nan 8.230 nan 0.000 0.433 362 G N -1.885 106.771 108.800 -0.240 0.000 2.985 362 G HA2 -0.111 3.847 3.960 -0.004 0.000 0.209 362 G HA3 -0.111 3.847 3.960 -0.004 0.000 0.209 362 G C 0.158 174.948 174.900 -0.183 0.000 1.165 362 G CA -0.204 44.784 45.100 -0.186 0.000 0.776 362 G HN 0.141 nan 8.290 nan 0.000 0.541 363 D N 0.720 120.980 120.400 -0.233 0.000 2.339 363 D HA 0.138 4.776 4.640 -0.004 0.000 0.241 363 D C 1.251 177.421 176.300 -0.216 0.000 1.183 363 D CA -0.427 53.461 54.000 -0.188 0.000 0.859 363 D CB 1.387 42.091 40.800 -0.159 0.000 1.067 363 D HN 0.098 nan 8.370 nan 0.000 0.484 364 E N 1.944 122.053 120.200 -0.151 0.000 2.265 364 E HA -0.173 4.175 4.350 -0.004 0.000 0.196 364 E C 1.567 178.096 176.600 -0.117 0.000 0.996 364 E CA 1.667 57.987 56.400 -0.134 0.000 0.832 364 E CB 0.028 29.672 29.700 -0.094 0.000 0.756 364 E HN 0.542 nan 8.360 nan 0.000 0.491 365 T N -2.212 112.283 114.554 -0.099 0.000 3.088 365 T HA 0.061 4.409 4.350 -0.004 0.000 0.259 365 T C 0.555 175.214 174.700 -0.068 0.000 1.122 365 T CA -0.042 62.019 62.100 -0.064 0.000 1.095 365 T CB 0.056 68.903 68.868 -0.034 0.000 0.930 365 T HN -0.169 nan 8.240 nan 0.000 0.508 366 K N 2.799 123.112 120.400 -0.145 0.000 2.263 366 K HA 0.342 4.659 4.320 -0.004 0.000 0.282 366 K C -0.296 176.170 176.600 -0.223 0.000 1.089 366 K CA -0.350 55.835 56.287 -0.170 0.000 0.907 366 K CB 1.033 33.288 32.500 -0.408 0.000 1.148 366 K HN 0.194 nan 8.250 nan 0.000 0.470 367 K N 2.647 123.003 120.400 -0.073 0.000 2.249 367 K HA 0.255 4.573 4.320 -0.004 0.000 0.280 367 K C -0.093 176.502 176.600 -0.008 0.000 1.033 367 K CA -0.552 55.706 56.287 -0.049 0.000 0.946 367 K CB 0.759 33.268 32.500 0.014 0.000 1.005 367 K HN 0.260 nan 8.250 nan 0.000 0.469 368 K N 0.595 120.972 120.400 -0.039 0.000 2.316 368 K HA 0.382 4.700 4.320 -0.004 0.000 0.251 368 K C -0.736 175.926 176.600 0.104 0.000 0.934 368 K CA -0.420 55.886 56.287 0.032 0.000 0.802 368 K CB 1.970 34.416 32.500 -0.090 0.000 1.171 368 K HN 0.314 nan 8.250 nan 0.000 0.426 369 S N 2.856 118.675 115.700 0.198 0.000 2.454 369 S HA 0.645 5.113 4.470 -0.004 0.000 0.306 369 S C -0.625 174.105 174.600 0.217 0.000 1.100 369 S CA -0.788 57.572 58.200 0.267 0.000 1.087 369 S CB 0.471 63.869 63.200 0.330 0.000 1.019 369 S HN 0.464 nan 8.310 nan 0.000 0.480 370 M N 1.904 121.591 119.600 0.145 0.000 2.948 370 M HA 0.573 5.051 4.480 -0.004 0.000 0.278 370 M C -1.654 174.687 176.300 0.069 0.000 1.293 370 M CA -0.727 54.634 55.300 0.102 0.000 0.777 370 M CB 1.703 34.326 32.600 0.038 0.000 1.713 370 M HN 0.609 nan 8.290 nan 0.000 0.444 371 F N 1.601 121.512 119.950 -0.065 0.000 2.499 371 F HA 0.367 4.893 4.527 -0.002 0.000 0.333 371 F C -0.445 175.302 175.800 -0.087 0.000 1.138 371 F CA -0.146 57.794 58.000 -0.100 0.000 0.945 371 F CB 0.866 39.825 39.000 -0.068 0.000 1.181 371 F HN 0.711 nan 8.300 nan 0.000 0.435 372 D N 3.430 123.542 120.400 -0.480 0.000 2.848 372 D HA -0.212 4.426 4.640 -0.004 0.000 0.245 372 D C 0.975 177.169 176.300 -0.176 0.000 1.122 372 D CA 1.008 54.821 54.000 -0.311 0.000 0.769 372 D CB -0.710 40.000 40.800 -0.150 0.000 1.025 372 D HN 0.625 nan 8.370 nan 0.000 0.423 373 S N 0.590 116.180 115.700 -0.184 0.000 2.419 373 S HA -0.225 4.243 4.470 -0.004 0.000 0.233 373 S C 1.853 176.347 174.600 -0.176 0.000 1.016 373 S CA 1.376 59.488 58.200 -0.147 0.000 0.974 373 S CB 0.029 63.148 63.200 -0.135 0.000 0.786 373 S HN 0.546 nan 8.310 nan 0.000 0.492 374 K N 1.826 122.110 120.400 -0.194 0.000 2.057 374 K HA -0.095 4.223 4.320 -0.004 0.000 0.207 374 K C 2.509 178.853 176.600 -0.426 0.000 1.049 374 K CA 1.207 57.367 56.287 -0.212 0.000 0.931 374 K CB -0.244 32.182 32.500 -0.123 0.000 0.714 374 K HN 0.461 nan 8.250 nan 0.000 0.440 375 R N 0.190 120.361 120.500 -0.548 0.000 2.083 375 R HA -0.157 4.181 4.340 -0.004 0.000 0.237 375 R C 2.106 178.077 176.300 -0.549 0.000 1.137 375 R CA 1.663 57.198 56.100 -0.942 0.000 0.951 375 R CB -0.442 29.592 30.300 -0.444 0.000 0.851 375 R HN 0.280 nan 8.270 nan 0.000 0.434 376 A N 0.728 123.381 122.820 -0.277 0.000 1.873 376 A HA -0.046 4.272 4.320 -0.004 0.000 0.215 376 A C 2.419 179.914 177.584 -0.148 0.000 1.186 376 A CA 1.582 53.529 52.037 -0.150 0.000 0.616 376 A CB -0.867 18.085 19.000 -0.080 0.000 0.823 376 A HN 0.576 nan 8.150 nan 0.000 0.442 377 A N -0.533 122.181 122.820 -0.176 0.000 1.883 377 A HA -0.045 4.273 4.320 -0.004 0.000 0.217 377 A C 2.245 179.734 177.584 -0.158 0.000 1.186 377 A CA 1.981 53.923 52.037 -0.158 0.000 0.624 377 A CB -0.965 17.945 19.000 -0.151 0.000 0.822 377 A HN 0.410 nan 8.150 nan 0.000 0.444 378 V N -0.304 119.515 119.914 -0.158 0.000 2.358 378 V HA -0.187 3.931 4.120 -0.004 0.000 0.246 378 V C 3.045 179.243 176.094 0.174 0.000 1.047 378 V CA 1.777 64.079 62.300 0.003 0.000 1.035 378 V CB -1.216 30.692 31.823 0.141 0.000 0.658 378 V HN 0.615 nan 8.190 nan 0.000 0.452 379 A N -0.259 122.607 122.820 0.077 0.000 1.940 379 A HA -0.165 4.153 4.320 -0.004 0.000 0.219 379 A C 2.211 179.877 177.584 0.135 0.000 1.176 379 A CA 1.778 53.909 52.037 0.157 0.000 0.631 379 A CB -0.510 18.516 19.000 0.043 0.000 0.814 379 A HN 0.514 nan 8.150 nan 0.000 0.446 380 L N -1.073 120.163 121.223 0.021 0.000 2.109 380 L HA -0.136 4.202 4.340 -0.004 0.000 0.207 380 L C 2.518 179.339 176.870 -0.081 0.000 1.086 380 L CA 1.318 56.151 54.840 -0.012 0.000 0.760 380 L CB -0.346 41.685 42.059 -0.047 0.000 0.910 380 L HN 0.336 nan 8.230 nan 0.000 0.437 381 K N -0.613 119.646 120.400 -0.236 0.000 2.103 381 K HA -0.209 4.109 4.320 -0.004 0.000 0.207 381 K C 1.868 178.180 176.600 -0.479 0.000 1.048 381 K CA 1.725 57.635 56.287 -0.629 0.000 0.930 381 K CB -0.242 31.456 32.500 -1.336 0.000 0.716 381 K HN 0.270 nan 8.250 nan 0.000 0.444 382 W N 1.306 122.536 121.300 -0.117 0.000 2.525 382 W HA -0.086 4.572 4.660 -0.004 0.000 0.259 382 W C 1.428 178.000 176.519 0.087 0.000 1.253 382 W CA 0.732 58.183 57.345 0.178 0.000 1.262 382 W CB 0.194 29.771 29.460 0.195 0.000 1.122 382 W HN -0.038 nan 8.180 nan 0.000 0.607 383 K N -0.464 120.055 120.400 0.198 0.000 2.372 383 K HA 0.253 4.570 4.320 -0.004 0.000 0.200 383 K C 1.265 177.902 176.600 0.062 0.000 1.022 383 K CA 0.523 56.887 56.287 0.128 0.000 1.125 383 K CB 0.439 32.998 32.500 0.099 0.000 0.855 383 K HN 0.027 nan 8.250 nan 0.000 0.524 384 G N 2.038 110.847 108.800 0.015 0.000 2.176 384 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.252 384 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.252 384 G C -0.049 174.828 174.900 -0.037 0.000 1.024 384 G CA -0.015 45.075 45.100 -0.017 0.000 0.755 384 G HN 0.262 nan 8.290 nan 0.000 0.507 385 I N 0.130 120.666 120.570 -0.056 0.000 2.433 385 I HA 0.393 4.561 4.170 -0.004 0.000 0.292 385 I C 0.254 176.310 176.117 -0.102 0.000 1.001 385 I CA -0.775 60.493 61.300 -0.052 0.000 1.119 385 I CB 1.923 39.917 38.000 -0.010 0.000 1.289 385 I HN 0.167 nan 8.210 nan 0.000 0.438 386 E N 5.811 125.950 120.200 -0.102 0.000 2.197 386 E HA 0.369 4.717 4.350 -0.004 0.000 0.281 386 E C -1.494 175.025 176.600 -0.136 0.000 0.995 386 E CA -0.854 55.470 56.400 -0.127 0.000 0.808 386 E CB 1.685 31.317 29.700 -0.113 0.000 1.093 386 E HN 0.354 nan 8.360 nan 0.000 0.394 387 L N 5.770 126.904 121.223 -0.149 0.000 2.287 387 L HA 0.423 4.761 4.340 -0.004 0.000 0.287 387 L C -1.453 175.313 176.870 -0.174 0.000 1.022 387 L CA -0.198 54.540 54.840 -0.169 0.000 0.814 387 L CB 0.709 42.678 42.059 -0.150 0.000 1.217 387 L HN 0.660 nan 8.230 nan 0.000 0.420 388 C N 2.293 121.466 119.300 -0.211 0.000 3.044 388 C HA 0.823 5.281 4.460 -0.004 0.000 0.315 388 C C 1.089 175.943 174.990 -0.227 0.000 1.320 388 C CA -0.115 58.789 59.018 -0.189 0.000 1.582 388 C CB 1.367 29.006 27.740 -0.168 0.000 2.039 388 C HN 1.096 nan 8.230 nan 0.000 0.466 389 G N 0.438 109.133 108.800 -0.174 0.000 2.143 389 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.248 389 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.248 389 G C -0.140 174.677 174.900 -0.137 0.000 0.991 389 G CA 0.301 45.301 45.100 -0.167 0.000 0.689 389 G HN 0.872 nan 8.290 nan 0.000 0.522 390 V N 1.928 121.772 119.914 -0.117 0.000 2.397 390 V HA 0.367 4.485 4.120 -0.004 0.000 0.262 390 V C 1.595 177.668 176.094 -0.034 0.000 1.047 390 V CA 0.952 63.206 62.300 -0.077 0.000 1.003 390 V CB 1.001 32.771 31.823 -0.089 0.000 1.037 390 V HN 0.804 nan 8.190 nan 0.000 0.480 391 S N 4.124 119.834 115.700 0.016 0.000 2.517 391 S HA 0.244 4.712 4.470 -0.004 0.000 0.214 391 S C -0.056 174.636 174.600 0.153 0.000 0.991 391 S CA -0.077 58.157 58.200 0.056 0.000 0.906 391 S CB 0.109 63.340 63.200 0.051 0.000 0.789 391 S HN 0.549 nan 8.310 nan 0.000 0.513 392 F N 1.658 121.588 119.950 -0.034 0.000 2.605 392 F HA 0.520 5.045 4.527 -0.003 0.000 0.320 392 F C -2.091 173.681 175.800 -0.047 0.000 1.159 392 F CA -1.011 56.969 58.000 -0.033 0.000 0.999 392 F CB 1.749 40.733 39.000 -0.026 0.000 1.258 392 F HN -0.041 nan 8.300 nan 0.000 0.464 393 D N 6.189 126.121 120.400 -0.779 0.000 2.462 393 D HA 0.158 4.796 4.640 -0.004 0.000 0.245 393 D C 0.592 176.289 176.300 -1.004 0.000 1.122 393 D CA -0.298 53.310 54.000 -0.654 0.000 0.864 393 D CB 1.742 42.298 40.800 -0.407 0.000 1.098 393 D HN 0.682 nan 8.370 nan 0.000 0.541 394 L N 5.187 125.905 121.223 -0.842 0.000 2.131 394 L HA -0.099 4.239 4.340 -0.004 0.000 0.210 394 L C 1.833 178.423 176.870 -0.467 0.000 1.092 394 L CA 1.469 55.937 54.840 -0.620 0.000 0.759 394 L CB -0.565 41.441 42.059 -0.088 0.000 0.903 394 L HN 0.529 nan 8.230 nan 0.000 0.435 395 L N -0.903 119.872 121.223 -0.746 0.000 2.017 395 L HA -0.176 4.162 4.340 -0.004 0.000 0.208 395 L C 2.243 178.910 176.870 -0.337 0.000 1.073 395 L CA 1.877 56.229 54.840 -0.814 0.000 0.745 395 L CB -0.610 40.676 42.059 -1.288 0.000 0.894 395 L HN 0.281 nan 8.230 nan 0.000 0.432 396 L N -0.610 120.415 121.223 -0.330 0.000 2.141 396 L HA -0.118 4.220 4.340 -0.004 0.000 0.209 396 L C 2.676 179.534 176.870 -0.020 0.000 1.094 396 L CA 0.953 55.719 54.840 -0.123 0.000 0.763 396 L CB -1.003 40.963 42.059 -0.155 0.000 0.908 396 L HN 0.391 nan 8.230 nan 0.000 0.437 397 A N 0.333 123.068 122.820 -0.141 0.000 1.877 397 A HA -0.149 4.169 4.320 -0.004 0.000 0.216 397 A C 2.564 180.298 177.584 0.251 0.000 1.186 397 A CA 1.724 53.792 52.037 0.052 0.000 0.620 397 A CB -0.682 18.329 19.000 0.018 0.000 0.822 397 A HN 0.374 nan 8.150 nan 0.000 0.443 398 A N -1.515 121.444 122.820 0.231 0.000 1.902 398 A HA -0.108 4.210 4.320 -0.004 0.000 0.217 398 A C 2.146 179.898 177.584 0.278 0.000 1.181 398 A CA 1.714 53.984 52.037 0.390 0.000 0.623 398 A CB -0.847 18.355 19.000 0.337 0.000 0.818 398 A HN 0.739 nan 8.150 nan 0.000 0.443 399 Y N 0.650 120.996 120.300 0.076 0.000 2.128 399 Y HA -0.183 4.365 4.550 -0.004 0.000 0.284 399 Y C 1.920 177.857 175.900 0.063 0.000 1.154 399 Y CA 1.846 59.979 58.100 0.055 0.000 1.149 399 Y CB -0.374 38.088 38.460 0.003 0.000 0.976 399 Y HN 0.221 nan 8.280 nan 0.000 0.505 400 L N -0.744 120.482 121.223 0.005 0.000 2.093 400 L HA -0.222 4.115 4.340 -0.004 0.000 0.208 400 L C 2.482 179.318 176.870 -0.056 0.000 1.085 400 L CA 1.060 55.838 54.840 -0.104 0.000 0.755 400 L CB -0.615 41.448 42.059 0.006 0.000 0.904 400 L HN 0.272 nan 8.230 nan 0.000 0.435 401 L N -0.844 120.410 121.223 0.051 0.000 2.083 401 L HA -0.112 4.226 4.340 -0.004 0.000 0.209 401 L C 0.314 177.248 176.870 0.106 0.000 1.083 401 L CA 0.980 55.859 54.840 0.064 0.000 0.752 401 L CB -0.080 42.026 42.059 0.079 0.000 0.899 401 L HN 0.271 nan 8.230 nan 0.000 0.433 402 D N -1.864 118.591 120.400 0.091 0.000 2.362 402 D HA 0.091 4.729 4.640 -0.004 0.000 0.228 402 D C -2.020 174.328 176.300 0.080 0.000 1.326 402 D CA -1.124 52.952 54.000 0.127 0.000 0.927 402 D CB 1.141 42.012 40.800 0.119 0.000 1.501 402 D HN -0.205 nan 8.370 nan 0.000 0.519 403 P HA -0.071 nan 4.420 nan 0.000 0.222 403 P C 1.075 178.451 177.300 0.127 0.000 1.147 403 P CA 0.526 63.643 63.100 0.028 0.000 0.790 403 P CB 0.325 31.923 31.700 -0.170 0.000 0.780 404 A N -0.141 122.740 122.820 0.101 0.000 2.119 404 A HA -0.142 4.176 4.320 -0.004 0.000 0.217 404 A C 2.341 179.983 177.584 0.097 0.000 1.153 404 A CA 1.110 53.204 52.037 0.095 0.000 0.692 404 A CB -1.015 18.034 19.000 0.083 0.000 0.799 404 A HN 0.089 nan 8.150 nan 0.000 0.458 405 Q N -0.381 119.483 119.800 0.108 0.000 2.291 405 Q HA 0.085 4.423 4.340 -0.004 0.000 0.205 405 Q C 1.253 177.327 176.000 0.123 0.000 0.970 405 Q CA 1.056 56.923 55.803 0.106 0.000 0.876 405 Q CB -0.674 28.134 28.738 0.117 0.000 0.935 405 Q HN 0.966 nan 8.270 nan 0.000 0.455 406 G N -0.283 108.604 108.800 0.146 0.000 2.249 406 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.273 406 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.273 406 G C -0.177 174.817 174.900 0.157 0.000 1.036 406 G CA 0.275 45.462 45.100 0.145 0.000 0.824 406 G HN 0.272 nan 8.290 nan 0.000 0.504 407 V N 0.994 121.021 119.914 0.188 0.000 2.475 407 V HA 0.261 4.379 4.120 -0.004 0.000 0.292 407 V C 1.137 177.380 176.094 0.249 0.000 1.003 407 V CA 1.519 63.952 62.300 0.222 0.000 1.120 407 V CB 0.852 32.836 31.823 0.269 0.000 0.937 407 V HN 0.694 nan 8.190 nan 0.000 0.476 408 D N 1.324 121.876 120.400 0.253 0.000 2.556 408 D HA 0.205 4.842 4.640 -0.004 0.000 0.237 408 D C -0.220 176.275 176.300 0.325 0.000 1.296 408 D CA -0.257 53.914 54.000 0.284 0.000 0.807 408 D CB 0.400 41.305 40.800 0.175 0.000 1.084 408 D HN 0.635 nan 8.370 nan 0.000 0.510 409 D N -1.569 118.949 120.400 0.197 0.000 2.622 409 D HA 0.065 4.703 4.640 -0.004 0.000 0.255 409 D C 0.826 176.730 176.300 -0.660 0.000 1.246 409 D CA -0.871 52.968 54.000 -0.267 0.000 0.795 409 D CB 1.228 41.985 40.800 -0.072 0.000 1.369 409 D HN -0.214 nan 8.370 nan 0.000 0.425 410 V N 0.878 120.163 119.914 -1.048 0.000 2.332 410 V HA -0.217 3.901 4.120 -0.004 0.000 0.248 410 V C 2.637 178.599 176.094 -0.220 0.000 1.055 410 V CA 2.875 64.750 62.300 -0.708 0.000 1.038 410 V CB -1.129 30.383 31.823 -0.519 0.000 0.651 410 V HN 0.803 nan 8.190 nan 0.000 0.450 411 A N -0.096 122.658 122.820 -0.110 0.000 1.940 411 A HA -0.157 4.161 4.320 -0.004 0.000 0.219 411 A C 2.420 180.041 177.584 0.062 0.000 1.176 411 A CA 2.206 54.258 52.037 0.024 0.000 0.631 411 A CB -0.737 18.292 19.000 0.048 0.000 0.814 411 A HN 0.600 nan 8.150 nan 0.000 0.446 412 A N -0.332 122.518 122.820 0.051 0.000 1.930 412 A HA 0.210 4.527 4.320 -0.004 0.000 0.217 412 A C 2.482 180.163 177.584 0.162 0.000 1.175 412 A CA 1.947 54.048 52.037 0.107 0.000 0.627 412 A CB -0.902 18.170 19.000 0.119 0.000 0.815 412 A HN 1.014 nan 8.150 nan 0.000 0.443 413 A N -0.134 122.791 122.820 0.176 0.000 1.898 413 A HA 0.224 4.542 4.320 -0.004 0.000 0.216 413 A C 2.487 180.272 177.584 0.336 0.000 1.181 413 A CA 1.864 54.069 52.037 0.281 0.000 0.620 413 A CB -0.978 18.142 19.000 0.200 0.000 0.819 413 A HN 1.021 nan 8.150 nan 0.000 0.442 414 A N -0.294 122.647 122.820 0.202 0.000 1.933 414 A HA -0.167 4.151 4.320 -0.004 0.000 0.218 414 A C 2.091 179.837 177.584 0.270 0.000 1.175 414 A CA 1.934 54.111 52.037 0.234 0.000 0.628 414 A CB -0.437 18.680 19.000 0.197 0.000 0.814 414 A HN 0.523 nan 8.150 nan 0.000 0.444 415 K N -0.820 119.705 120.400 0.208 0.000 2.280 415 K HA -0.049 4.269 4.320 -0.004 0.000 0.202 415 K C 1.863 178.545 176.600 0.138 0.000 1.047 415 K CA 1.238 57.620 56.287 0.159 0.000 0.942 415 K CB -0.240 32.330 32.500 0.117 0.000 0.739 415 K HN 0.550 nan 8.250 nan 0.000 0.457 416 M N 0.233 119.934 119.600 0.167 0.000 2.279 416 M HA -0.126 4.352 4.480 -0.004 0.000 0.264 416 M C 0.848 177.168 176.300 0.034 0.000 1.062 416 M CA 1.342 56.699 55.300 0.096 0.000 1.099 416 M CB 0.237 32.912 32.600 0.125 0.000 1.394 416 M HN -0.133 nan 8.290 nan 0.000 0.426 417 K N 0.511 120.971 120.400 0.100 0.000 2.699 417 K HA 0.149 4.467 4.320 -0.004 0.000 0.210 417 K C -0.092 176.583 176.600 0.124 0.000 1.076 417 K CA 0.052 56.381 56.287 0.070 0.000 1.109 417 K CB 0.617 33.172 32.500 0.092 0.000 0.862 417 K HN 0.211 nan 8.250 nan 0.000 0.470 418 Q N -0.778 119.090 119.800 0.112 0.000 2.461 418 Q HA -0.270 4.068 4.340 -0.004 0.000 0.273 418 Q C -0.698 175.387 176.000 0.141 0.000 1.163 418 Q CA 0.958 56.820 55.803 0.099 0.000 0.929 418 Q CB -2.879 25.892 28.738 0.055 0.000 1.334 418 Q HN 0.514 nan 8.270 nan 0.000 0.499 419 Y N -0.153 120.187 120.300 0.066 0.000 2.331 419 Y HA 0.334 4.885 4.550 0.002 0.000 0.338 419 Y C 0.768 176.704 175.900 0.060 0.000 0.976 419 Y CA -0.340 57.800 58.100 0.068 0.000 1.137 419 Y CB 0.961 39.477 38.460 0.094 0.000 1.172 419 Y HN 0.033 nan 8.280 nan 0.000 0.478 420 E N 3.680 123.822 120.200 -0.096 0.000 2.758 420 E HA 0.237 4.584 4.350 -0.004 0.000 0.215 420 E C 0.237 176.792 176.600 -0.075 0.000 0.985 420 E CA -0.133 56.263 56.400 -0.008 0.000 1.102 420 E CB 0.866 30.561 29.700 -0.008 0.000 1.042 420 E HN 0.652 nan 8.360 nan 0.000 0.480 421 A N 1.372 124.029 122.820 -0.273 0.000 2.840 421 A HA 0.291 4.609 4.320 -0.004 0.000 0.269 421 A C -0.011 177.626 177.584 0.088 0.000 1.439 421 A CA 0.053 51.996 52.037 -0.156 0.000 1.083 421 A CB 0.023 18.824 19.000 -0.332 0.000 1.019 421 A HN 0.104 nan 8.150 nan 0.000 0.607 422 V N -0.324 119.670 119.914 0.133 0.000 2.924 422 V HA 0.452 4.570 4.120 -0.004 0.000 0.300 422 V C -0.914 175.252 176.094 0.120 0.000 1.227 422 V CA -0.999 61.393 62.300 0.154 0.000 0.954 422 V CB 1.968 33.903 31.823 0.187 0.000 1.055 422 V HN 0.673 nan 8.190 nan 0.000 0.429 423 R N 5.200 125.782 120.500 0.137 0.000 2.500 423 R HA 0.551 4.889 4.340 -0.004 0.000 0.275 423 R C -2.559 173.800 176.300 0.098 0.000 1.051 423 R CA -1.631 54.510 56.100 0.069 0.000 1.088 423 R CB 0.814 31.093 30.300 -0.036 0.000 1.063 423 R HN 0.491 nan 8.270 nan 0.000 0.511 424 P HA 0.023 nan 4.420 nan 0.000 0.275 424 P C -0.294 177.008 177.300 0.004 0.000 1.228 424 P CA -0.169 62.953 63.100 0.036 0.000 0.786 424 P CB 0.639 32.352 31.700 0.022 0.000 0.927 425 D N 1.274 121.726 120.400 0.087 0.000 2.123 425 D HA -0.194 4.444 4.640 -0.004 0.000 0.196 425 D C 1.551 177.892 176.300 0.067 0.000 0.992 425 D CA 1.408 55.491 54.000 0.138 0.000 0.833 425 D CB -0.179 40.819 40.800 0.330 0.000 0.954 425 D HN 0.601 nan 8.370 nan 0.000 0.455 426 E N 0.344 120.588 120.200 0.073 0.000 2.153 426 E HA -0.151 4.197 4.350 -0.004 0.000 0.194 426 E C 1.911 178.501 176.600 -0.016 0.000 0.988 426 E CA 0.945 57.381 56.400 0.059 0.000 0.811 426 E CB 0.050 29.782 29.700 0.054 0.000 0.746 426 E HN 0.188 nan 8.360 nan 0.000 0.466 427 A N 0.094 122.871 122.820 -0.073 0.000 1.969 427 A HA -0.085 4.233 4.320 -0.004 0.000 0.218 427 A C 2.240 179.703 177.584 -0.202 0.000 1.169 427 A CA 1.140 53.112 52.037 -0.109 0.000 0.635 427 A CB -0.131 18.808 19.000 -0.101 0.000 0.810 427 A HN 0.214 nan 8.150 nan 0.000 0.445 428 V N -2.090 117.598 119.914 -0.377 0.000 2.500 428 V HA -0.132 3.986 4.120 -0.004 0.000 0.243 428 V C 2.053 177.850 176.094 -0.495 0.000 1.039 428 V CA 1.364 63.304 62.300 -0.600 0.000 1.053 428 V CB -0.865 30.229 31.823 -1.214 0.000 0.695 428 V HN 0.692 nan 8.190 nan 0.000 0.463 429 Y N 0.456 120.699 120.300 -0.096 0.000 2.497 429 Y HA 0.503 5.052 4.550 -0.002 0.000 0.265 429 Y C 1.570 177.455 175.900 -0.025 0.000 1.111 429 Y CA 0.429 58.504 58.100 -0.042 0.000 1.288 429 Y CB 0.189 38.642 38.460 -0.012 0.000 1.082 429 Y HN 0.361 nan 8.280 nan 0.000 0.536 430 G N 1.407 110.259 108.800 0.086 0.000 2.760 430 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.246 430 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.246 430 G C -0.949 173.995 174.900 0.073 0.000 1.359 430 G CA -0.438 44.695 45.100 0.056 0.000 0.861 430 G HN 0.225 nan 8.290 nan 0.000 0.541 431 K N -0.190 120.239 120.400 0.048 0.000 2.435 431 K HA 0.631 4.949 4.320 -0.004 0.000 0.251 431 K C 1.101 177.720 176.600 0.032 0.000 0.954 431 K CA 0.564 56.878 56.287 0.044 0.000 0.820 431 K CB 1.459 33.982 32.500 0.038 0.000 1.292 431 K HN 2.600 nan 8.250 nan 0.000 0.436 432 G N 1.578 110.395 108.800 0.028 0.000 2.574 432 G HA2 -0.408 3.550 3.960 -0.004 0.000 0.286 432 G HA3 -0.408 3.550 3.960 -0.004 0.000 0.286 432 G C 0.802 175.712 174.900 0.017 0.000 1.212 432 G CA 0.458 45.570 45.100 0.019 0.000 0.979 432 G HN 0.889 nan 8.290 nan 0.000 0.557 433 A N -0.420 122.408 122.820 0.014 0.000 2.125 433 A HA 0.108 4.426 4.320 -0.004 0.000 0.219 433 A C 2.094 179.687 177.584 0.015 0.000 1.156 433 A CA 2.310 54.354 52.037 0.012 0.000 0.671 433 A CB -0.310 18.696 19.000 0.009 0.000 0.794 433 A HN 0.618 nan 8.150 nan 0.000 0.459 434 K N -0.738 119.674 120.400 0.019 0.000 2.404 434 K HA 0.079 4.397 4.320 -0.004 0.000 0.194 434 K C 0.818 177.438 176.600 0.033 0.000 1.023 434 K CA -0.298 56.002 56.287 0.022 0.000 1.094 434 K CB 0.205 32.716 32.500 0.019 0.000 0.841 434 K HN 0.397 nan 8.250 nan 0.000 0.523 435 R N 1.415 121.937 120.500 0.037 0.000 2.537 435 R HA 0.224 4.562 4.340 -0.004 0.000 0.280 435 R C -0.944 175.389 176.300 0.056 0.000 1.058 435 R CA 0.215 56.349 56.100 0.057 0.000 1.057 435 R CB 0.452 30.778 30.300 0.043 0.000 0.973 435 R HN 0.102 nan 8.270 nan 0.000 0.438 436 A N 3.068 125.945 122.820 0.095 0.000 2.583 436 A HA 0.321 4.639 4.320 -0.004 0.000 0.292 436 A C -1.484 176.203 177.584 0.173 0.000 1.045 436 A CA -0.807 51.284 52.037 0.090 0.000 0.672 436 A CB 1.304 20.340 19.000 0.061 0.000 1.283 436 A HN 0.449 nan 8.150 nan 0.000 0.419 437 V N 2.759 122.759 119.914 0.143 0.000 2.455 437 V HA 0.354 4.472 4.120 -0.004 0.000 0.273 437 V C -1.728 174.454 176.094 0.147 0.000 1.045 437 V CA -0.689 61.739 62.300 0.213 0.000 0.976 437 V CB 0.475 32.380 31.823 0.136 0.000 0.993 437 V HN 0.824 nan 8.190 nan 0.000 0.475 438 P HA 0.174 nan 4.420 nan 0.000 0.274 438 P C -0.448 176.874 177.300 0.037 0.000 1.260 438 P CA -0.539 62.585 63.100 0.040 0.000 0.793 438 P CB 0.390 32.070 31.700 -0.033 0.000 1.048 439 D N 0.019 120.425 120.400 0.010 0.000 2.400 439 D HA -0.045 4.593 4.640 -0.004 0.000 0.238 439 D C 1.307 177.601 176.300 -0.009 0.000 1.157 439 D CA 0.080 54.084 54.000 0.008 0.000 0.889 439 D CB 0.285 41.084 40.800 -0.002 0.000 1.199 439 D HN 0.474 nan 8.370 nan 0.000 0.436 440 E N 1.542 121.738 120.200 -0.005 0.000 2.108 440 E HA -0.207 4.141 4.350 -0.004 0.000 0.203 440 E C -0.863 175.656 176.600 -0.136 0.000 1.022 440 E CA 1.337 57.705 56.400 -0.053 0.000 0.823 440 E CB -0.338 29.360 29.700 -0.003 0.000 0.744 440 E HN 0.371 nan 8.360 nan 0.000 0.456 441 P HA -0.149 nan 4.420 nan 0.000 0.215 441 P C 1.588 178.856 177.300 -0.053 0.000 1.153 441 P CA 1.221 64.292 63.100 -0.049 0.000 0.853 441 P CB -0.020 31.666 31.700 -0.023 0.000 0.788 442 V N 0.094 119.973 119.914 -0.059 0.000 2.379 442 V HA -0.178 3.940 4.120 -0.004 0.000 0.245 442 V C 2.737 178.781 176.094 -0.083 0.000 1.044 442 V CA 1.350 63.611 62.300 -0.064 0.000 1.036 442 V CB -1.295 30.486 31.823 -0.070 0.000 0.664 442 V HN 0.011 nan 8.190 nan 0.000 0.453 443 L N 1.173 122.344 121.223 -0.086 0.000 2.017 443 L HA -0.096 4.242 4.340 -0.004 0.000 0.208 443 L C 2.463 179.234 176.870 -0.164 0.000 1.073 443 L CA 2.489 57.304 54.840 -0.042 0.000 0.745 443 L CB -1.009 41.071 42.059 0.035 0.000 0.894 443 L HN 0.210 nan 8.230 nan 0.000 0.432 444 A N -0.599 121.921 122.820 -0.500 0.000 1.883 444 A HA -0.307 4.011 4.320 -0.004 0.000 0.217 444 A C 2.338 179.551 177.584 -0.619 0.000 1.186 444 A CA 1.956 53.417 52.037 -0.960 0.000 0.624 444 A CB -0.879 17.385 19.000 -1.226 0.000 0.822 444 A HN 0.669 nan 8.150 nan 0.000 0.444 445 E N -1.340 118.680 120.200 -0.299 0.000 2.110 445 E HA -0.290 4.058 4.350 -0.004 0.000 0.193 445 E C 1.888 178.425 176.600 -0.105 0.000 0.988 445 E CA 1.471 57.776 56.400 -0.159 0.000 0.804 445 E CB -0.264 29.490 29.700 0.089 0.000 0.745 445 E HN 0.775 nan 8.360 nan 0.000 0.458 446 H N 0.524 119.500 119.070 -0.158 0.000 2.326 446 H HA -0.046 4.507 4.556 -0.005 0.000 0.301 446 H C 1.942 177.224 175.328 -0.076 0.000 1.081 446 H CA 1.916 57.896 56.048 -0.113 0.000 1.334 446 H CB -0.229 29.445 29.762 -0.147 0.000 1.385 446 H HN 0.173 nan 8.280 nan 0.000 0.504 447 L N -0.628 120.507 121.223 -0.146 0.000 2.083 447 L HA -0.128 4.209 4.340 -0.004 0.000 0.209 447 L C 2.505 179.292 176.870 -0.138 0.000 1.083 447 L CA 0.991 55.755 54.840 -0.128 0.000 0.752 447 L CB -0.473 41.641 42.059 0.092 0.000 0.899 447 L HN 0.205 nan 8.230 nan 0.000 0.433 448 V N -0.095 119.692 119.914 -0.212 0.000 2.358 448 V HA -0.230 3.887 4.120 -0.004 0.000 0.246 448 V C 2.615 178.643 176.094 -0.109 0.000 1.047 448 V CA 1.584 63.752 62.300 -0.219 0.000 1.035 448 V CB -0.566 30.955 31.823 -0.504 0.000 0.658 448 V HN 0.403 nan 8.190 nan 0.000 0.452 449 R N -0.098 120.346 120.500 -0.093 0.000 2.120 449 R HA -0.138 4.200 4.340 -0.004 0.000 0.234 449 R C 2.384 178.673 176.300 -0.018 0.000 1.123 449 R CA 1.285 57.384 56.100 -0.001 0.000 0.975 449 R CB -0.228 30.096 30.300 0.040 0.000 0.866 449 R HN 0.499 nan 8.270 nan 0.000 0.446 450 K N 0.137 120.457 120.400 -0.134 0.000 2.057 450 K HA -0.045 4.273 4.320 -0.004 0.000 0.206 450 K C 2.121 178.691 176.600 -0.051 0.000 1.050 450 K CA 1.287 57.489 56.287 -0.143 0.000 0.935 450 K CB -0.085 32.260 32.500 -0.259 0.000 0.715 450 K HN 0.114 nan 8.250 nan 0.000 0.439 451 A N 1.469 124.275 122.820 -0.023 0.000 1.902 451 A HA -0.105 4.212 4.320 -0.004 0.000 0.217 451 A C 2.356 179.990 177.584 0.084 0.000 1.181 451 A CA 1.806 53.868 52.037 0.042 0.000 0.623 451 A CB -0.683 18.335 19.000 0.029 0.000 0.818 451 A HN 0.326 nan 8.150 nan 0.000 0.443 452 A N -0.156 122.701 122.820 0.062 0.000 1.933 452 A HA 0.180 4.498 4.320 -0.004 0.000 0.218 452 A C 2.482 180.135 177.584 0.115 0.000 1.175 452 A CA 1.996 54.109 52.037 0.128 0.000 0.628 452 A CB -0.931 18.150 19.000 0.135 0.000 0.814 452 A HN 1.004 nan 8.150 nan 0.000 0.444 453 A N 0.038 122.850 122.820 -0.013 0.000 1.873 453 A HA -0.066 4.251 4.320 -0.004 0.000 0.215 453 A C 2.107 179.576 177.584 -0.190 0.000 1.186 453 A CA 1.487 53.324 52.037 -0.333 0.000 0.616 453 A CB -0.608 18.224 19.000 -0.280 0.000 0.823 453 A HN 0.489 nan 8.150 nan 0.000 0.442 454 I N -1.735 118.828 120.570 -0.012 0.000 2.226 454 I HA -0.290 3.878 4.170 -0.004 0.000 0.245 454 I C 2.527 178.724 176.117 0.134 0.000 1.100 454 I CA 1.401 62.753 61.300 0.087 0.000 1.374 454 I CB -0.352 37.749 38.000 0.167 0.000 1.057 454 I HN 0.704 nan 8.210 nan 0.000 0.413 455 W N 2.151 123.433 121.300 -0.030 0.000 2.338 455 W HA -0.284 4.371 4.660 -0.008 0.000 0.304 455 W C 2.409 178.896 176.519 -0.054 0.000 1.212 455 W CA 2.078 59.410 57.345 -0.022 0.000 1.264 455 W CB 0.031 29.497 29.460 0.009 0.000 1.142 455 W HN 0.180 nan 8.180 nan 0.000 0.512 456 E N 0.585 120.798 120.200 0.021 0.000 2.112 456 E HA -0.146 4.202 4.350 -0.004 0.000 0.190 456 E C 2.152 178.682 176.600 -0.116 0.000 0.979 456 E CA 1.434 57.789 56.400 -0.076 0.000 0.814 456 E CB -0.843 28.855 29.700 -0.003 0.000 0.762 456 E HN 0.327 nan 8.360 nan 0.000 0.460 457 L N 0.497 121.651 121.223 -0.114 0.000 2.492 457 L HA 0.103 4.441 4.340 -0.004 0.000 0.223 457 L C 2.394 179.264 176.870 0.000 0.000 1.132 457 L CA 0.637 55.490 54.840 0.020 0.000 0.850 457 L CB -0.306 41.780 42.059 0.044 0.000 0.966 457 L HN 0.246 nan 8.230 nan 0.000 0.454 458 E N 0.978 121.008 120.200 -0.284 0.000 2.049 458 E HA -0.322 4.026 4.350 -0.004 0.000 0.198 458 E C 2.294 178.593 176.600 -0.502 0.000 1.007 458 E CA 1.538 57.469 56.400 -0.783 0.000 0.809 458 E CB 0.090 29.271 29.700 -0.865 0.000 0.749 458 E HN 0.176 nan 8.360 nan 0.000 0.450 459 R N 0.587 120.896 120.500 -0.317 0.000 2.070 459 R HA -0.073 4.264 4.340 -0.004 0.000 0.233 459 R C -0.860 175.387 176.300 -0.087 0.000 1.137 459 R CA 1.997 57.976 56.100 -0.201 0.000 0.945 459 R CB -1.488 28.702 30.300 -0.183 0.000 0.845 459 R HN 0.254 nan 8.270 nan 0.000 0.430 460 P HA -0.074 nan 4.420 nan 0.000 0.216 460 P C 0.944 178.239 177.300 -0.009 0.000 1.150 460 P CA 1.259 64.351 63.100 -0.012 0.000 0.837 460 P CB -0.141 31.566 31.700 0.012 0.000 0.786 461 F N -1.098 118.838 119.950 -0.023 0.000 2.146 461 F HA -0.079 4.445 4.527 -0.006 0.000 0.298 461 F C 2.232 178.072 175.800 0.067 0.000 1.096 461 F CA 1.219 59.265 58.000 0.076 0.000 1.275 461 F CB -1.105 38.047 39.000 0.254 0.000 1.008 461 F HN -0.214 nan 8.300 nan 0.000 0.480 462 L N -0.549 120.770 121.223 0.160 0.000 2.093 462 L HA -0.213 4.125 4.340 -0.004 0.000 0.208 462 L C 1.975 178.866 176.870 0.036 0.000 1.085 462 L CA 1.065 55.960 54.840 0.092 0.000 0.755 462 L CB -0.610 41.430 42.059 -0.031 0.000 0.904 462 L HN 0.051 nan 8.230 nan 0.000 0.435 463 D N -0.166 120.232 120.400 -0.004 0.000 2.117 463 D HA -0.219 4.418 4.640 -0.004 0.000 0.197 463 D C 2.050 178.335 176.300 -0.025 0.000 0.987 463 D CA 1.158 55.144 54.000 -0.024 0.000 0.829 463 D CB 0.065 40.841 40.800 -0.040 0.000 0.961 463 D HN 0.354 nan 8.370 nan 0.000 0.460 464 E N 0.109 120.286 120.200 -0.039 0.000 2.107 464 E HA -0.094 4.254 4.350 -0.004 0.000 0.191 464 E C 2.271 178.856 176.600 -0.024 0.000 0.982 464 E CA 0.303 56.670 56.400 -0.055 0.000 0.809 464 E CB -0.030 29.598 29.700 -0.119 0.000 0.756 464 E HN 0.194 nan 8.360 nan 0.000 0.459 465 L N 0.433 121.667 121.223 0.020 0.000 2.046 465 L HA -0.188 4.150 4.340 -0.004 0.000 0.208 465 L C 2.805 179.680 176.870 0.008 0.000 1.077 465 L CA 1.219 56.081 54.840 0.037 0.000 0.747 465 L CB -0.321 41.799 42.059 0.101 0.000 0.896 465 L HN 0.086 nan 8.230 nan 0.000 0.432 466 R N 0.482 120.985 120.500 0.005 0.000 2.081 466 R HA -0.129 4.209 4.340 -0.004 0.000 0.235 466 R C 2.335 178.617 176.300 -0.030 0.000 1.131 466 R CA 1.503 57.596 56.100 -0.011 0.000 0.960 466 R CB -0.250 30.044 30.300 -0.010 0.000 0.856 466 R HN 0.190 nan 8.270 nan 0.000 0.436 467 R N -0.206 120.276 120.500 -0.030 0.000 2.120 467 R HA -0.031 4.306 4.340 -0.004 0.000 0.234 467 R C 1.208 177.480 176.300 -0.047 0.000 1.123 467 R CA 1.442 57.522 56.100 -0.035 0.000 0.975 467 R CB -0.284 29.997 30.300 -0.031 0.000 0.866 467 R HN 0.252 nan 8.270 nan 0.000 0.446 468 N N 0.774 119.440 118.700 -0.057 0.000 2.461 468 N HA -0.046 4.691 4.740 -0.004 0.000 0.188 468 N C -0.495 174.952 175.510 -0.107 0.000 1.134 468 N CA 0.393 53.392 53.050 -0.085 0.000 0.878 468 N CB 0.225 38.655 38.487 -0.094 0.000 0.972 468 N HN 0.186 nan 8.380 nan 0.000 0.456 469 E N -0.646 119.492 120.200 -0.105 0.000 2.513 469 E HA -0.262 4.086 4.350 -0.004 0.000 0.257 469 E C -0.249 176.287 176.600 -0.106 0.000 1.098 469 E CA 0.270 56.572 56.400 -0.165 0.000 0.752 469 E CB -1.557 27.932 29.700 -0.353 0.000 1.324 469 E HN 0.520 nan 8.360 nan 0.000 0.403 470 Q N -0.514 119.270 119.800 -0.026 0.000 2.171 470 Q HA -0.005 4.332 4.340 -0.004 0.000 0.218 470 Q C 1.292 177.320 176.000 0.046 0.000 0.822 470 Q CA 0.224 56.045 55.803 0.031 0.000 0.987 470 Q CB 0.506 29.255 28.738 0.019 0.000 1.144 470 Q HN 0.373 nan 8.270 nan 0.000 0.494 471 D N 1.078 121.499 120.400 0.035 0.000 2.117 471 D HA -0.214 4.424 4.640 -0.004 0.000 0.197 471 D C 1.518 177.849 176.300 0.052 0.000 0.987 471 D CA 0.999 55.029 54.000 0.049 0.000 0.829 471 D CB -0.078 40.741 40.800 0.033 0.000 0.961 471 D HN 0.180 nan 8.370 nan 0.000 0.460 472 R N -0.289 120.241 120.500 0.050 0.000 2.115 472 R HA 0.031 4.369 4.340 -0.004 0.000 0.226 472 R C 2.455 178.785 176.300 0.050 0.000 1.100 472 R CA 0.240 56.370 56.100 0.049 0.000 0.980 472 R CB -0.335 29.998 30.300 0.055 0.000 0.875 472 R HN 0.136 nan 8.270 nan 0.000 0.445 473 L N 1.066 122.326 121.223 0.063 0.000 2.079 473 L HA -0.148 4.190 4.340 -0.004 0.000 0.210 473 L C 1.955 178.849 176.870 0.040 0.000 1.081 473 L CA 1.516 56.387 54.840 0.051 0.000 0.752 473 L CB -0.385 41.710 42.059 0.060 0.000 0.896 473 L HN 0.132 nan 8.230 nan 0.000 0.433 474 L N -1.749 119.502 121.223 0.047 0.000 2.049 474 L HA -0.043 4.295 4.340 -0.004 0.000 0.203 474 L C 2.223 179.107 176.870 0.024 0.000 1.074 474 L CA 1.634 56.496 54.840 0.037 0.000 0.749 474 L CB -0.524 41.572 42.059 0.061 0.000 0.907 474 L HN 0.038 nan 8.230 nan 0.000 0.439 475 V N -0.405 119.531 119.914 0.037 0.000 2.591 475 V HA -0.134 3.983 4.120 -0.004 0.000 0.249 475 V C 2.122 178.223 176.094 0.013 0.000 1.053 475 V CA 1.797 64.114 62.300 0.028 0.000 1.068 475 V CB -0.544 31.303 31.823 0.040 0.000 0.689 475 V HN 0.496 nan 8.190 nan 0.000 0.462 476 E N -1.079 119.130 120.200 0.015 0.000 2.460 476 E HA 0.121 4.469 4.350 -0.004 0.000 0.200 476 E C 1.539 178.140 176.600 0.001 0.000 1.011 476 E CA 0.148 56.552 56.400 0.006 0.000 0.912 476 E CB 0.674 30.380 29.700 0.011 0.000 0.953 476 E HN 0.419 nan 8.360 nan 0.000 0.494 477 L N 0.282 121.508 121.223 0.005 0.000 2.919 477 L HA 0.119 4.457 4.340 -0.004 0.000 0.169 477 L C 1.806 178.675 176.870 -0.002 0.000 1.228 477 L CA 0.671 55.512 54.840 0.001 0.000 0.862 477 L CB 0.189 42.252 42.059 0.006 0.000 1.313 477 L HN -0.220 nan 8.230 nan 0.000 0.526 478 E N 0.116 120.319 120.200 0.006 0.000 2.051 478 E HA -0.247 4.101 4.350 -0.004 0.000 0.192 478 E C 2.031 178.613 176.600 -0.030 0.000 0.991 478 E CA 1.566 57.966 56.400 0.001 0.000 0.799 478 E CB -0.270 29.446 29.700 0.026 0.000 0.748 478 E HN 0.604 nan 8.360 nan 0.000 0.449 479 Q N -0.235 119.543 119.800 -0.037 0.000 2.050 479 Q HA -0.103 4.235 4.340 -0.004 0.000 0.202 479 Q C -0.528 175.442 176.000 -0.050 0.000 0.980 479 Q CA 1.459 57.228 55.803 -0.058 0.000 0.840 479 Q CB -0.848 27.857 28.738 -0.056 0.000 0.898 479 Q HN 0.233 nan 8.270 nan 0.000 0.424 480 P HA -0.155 nan 4.420 nan 0.000 0.217 480 P C 1.229 178.507 177.300 -0.037 0.000 1.150 480 P CA 0.846 63.924 63.100 -0.036 0.000 0.832 480 P CB 0.018 31.702 31.700 -0.027 0.000 0.787 481 L N -0.601 120.602 121.223 -0.035 0.000 2.083 481 L HA -0.104 4.234 4.340 -0.004 0.000 0.209 481 L C 2.377 179.221 176.870 -0.042 0.000 1.083 481 L CA 1.846 56.663 54.840 -0.039 0.000 0.752 481 L CB -1.486 40.553 42.059 -0.035 0.000 0.899 481 L HN -0.098 nan 8.230 nan 0.000 0.433 482 S N -1.371 114.301 115.700 -0.046 0.000 2.370 482 S HA -0.204 4.264 4.470 -0.004 0.000 0.226 482 S C 2.092 176.670 174.600 -0.038 0.000 1.033 482 S CA 1.738 59.910 58.200 -0.048 0.000 1.011 482 S CB -0.353 62.800 63.200 -0.078 0.000 0.852 482 S HN 0.666 nan 8.310 nan 0.000 0.457 483 S N 1.006 116.678 115.700 -0.046 0.000 2.383 483 S HA 0.085 4.553 4.470 -0.004 0.000 0.227 483 S C 1.722 176.309 174.600 -0.022 0.000 1.026 483 S CA 1.203 59.377 58.200 -0.044 0.000 0.981 483 S CB -0.352 62.816 63.200 -0.054 0.000 0.818 483 S HN 0.533 nan 8.310 nan 0.000 0.472 484 I N 1.287 121.844 120.570 -0.022 0.000 2.252 484 I HA -0.143 4.025 4.170 -0.004 0.000 0.245 484 I C 1.976 178.098 176.117 0.009 0.000 1.102 484 I CA 1.017 62.310 61.300 -0.013 0.000 1.385 484 I CB -0.326 37.656 38.000 -0.030 0.000 1.064 484 I HN 0.229 nan 8.210 nan 0.000 0.414 485 L N 0.504 121.730 121.223 0.004 0.000 2.083 485 L HA -0.191 4.147 4.340 -0.004 0.000 0.209 485 L C 2.857 179.835 176.870 0.180 0.000 1.083 485 L CA 1.211 56.087 54.840 0.060 0.000 0.752 485 L CB -0.740 41.349 42.059 0.051 0.000 0.899 485 L HN 0.239 nan 8.230 nan 0.000 0.433 486 A N 0.051 122.944 122.820 0.121 0.000 1.902 486 A HA -0.227 4.091 4.320 -0.004 0.000 0.217 486 A C 2.177 179.869 177.584 0.180 0.000 1.181 486 A CA 1.719 53.842 52.037 0.143 0.000 0.623 486 A CB -0.404 18.610 19.000 0.023 0.000 0.818 486 A HN 0.462 nan 8.150 nan 0.000 0.443 487 E N -0.731 119.536 120.200 0.112 0.000 2.072 487 E HA -0.176 4.172 4.350 -0.004 0.000 0.191 487 E C 2.110 178.806 176.600 0.159 0.000 0.985 487 E CA 1.440 57.909 56.400 0.115 0.000 0.801 487 E CB -0.280 29.446 29.700 0.043 0.000 0.750 487 E HN 0.675 nan 8.360 nan 0.000 0.452 488 M N 0.624 120.321 119.600 0.162 0.000 2.086 488 M HA -0.191 4.287 4.480 -0.004 0.000 0.261 488 M C 2.089 178.557 176.300 0.279 0.000 1.067 488 M CA 1.595 57.011 55.300 0.193 0.000 1.116 488 M CB -0.203 32.517 32.600 0.200 0.000 1.348 488 M HN 0.044 nan 8.290 nan 0.000 0.407 489 E N -0.218 120.222 120.200 0.399 0.000 2.077 489 E HA -0.207 4.141 4.350 -0.004 0.000 0.193 489 E C 1.820 178.743 176.600 0.538 0.000 0.989 489 E CA 1.284 57.975 56.400 0.486 0.000 0.800 489 E CB -0.279 29.806 29.700 0.641 0.000 0.746 489 E HN 0.396 nan 8.360 nan 0.000 0.452 490 F N 1.538 121.674 119.950 0.310 0.000 2.171 490 F HA -0.118 4.407 4.527 -0.003 0.000 0.300 490 F C 2.167 177.992 175.800 0.042 0.000 1.090 490 F CA 1.228 59.291 58.000 0.105 0.000 1.293 490 F CB -0.356 38.591 39.000 -0.089 0.000 1.013 490 F HN -0.063 nan 8.300 nan 0.000 0.486 491 A N 0.298 123.100 122.820 -0.030 0.000 1.877 491 A HA 0.272 4.590 4.320 -0.004 0.000 0.216 491 A C 1.712 179.195 177.584 -0.167 0.000 1.186 491 A CA 1.348 53.264 52.037 -0.201 0.000 0.620 491 A CB -1.551 17.335 19.000 -0.191 0.000 0.822 491 A HN 1.014 nan 8.150 nan 0.000 0.443 492 G N -2.579 106.153 108.800 -0.112 0.000 2.855 492 G HA2 0.023 3.981 3.960 -0.004 0.000 0.352 492 G HA3 0.023 3.981 3.960 -0.004 0.000 0.352 492 G C -0.489 174.285 174.900 -0.210 0.000 1.415 492 G CA -0.331 44.542 45.100 -0.379 0.000 0.871 492 G HN 1.188 nan 8.290 nan 0.000 0.543 493 V N 0.543 120.340 119.914 -0.195 0.000 2.540 493 V HA 0.601 4.719 4.120 -0.004 0.000 0.302 493 V C 0.416 176.488 176.094 -0.037 0.000 1.035 493 V CA -0.711 61.565 62.300 -0.039 0.000 0.873 493 V CB 1.721 33.591 31.823 0.078 0.000 0.992 493 V HN 1.018 nan 8.190 nan 0.000 0.428 494 K N 3.527 123.916 120.400 -0.019 0.000 2.350 494 K HA 0.472 4.790 4.320 -0.004 0.000 0.279 494 K C -0.924 175.651 176.600 -0.042 0.000 1.027 494 K CA 0.127 56.388 56.287 -0.043 0.000 0.969 494 K CB 1.034 33.509 32.500 -0.043 0.000 0.954 494 K HN 0.456 nan 8.250 nan 0.000 0.474 495 V N 3.912 123.761 119.914 -0.108 0.000 2.555 495 V HA 0.177 4.295 4.120 -0.004 0.000 0.302 495 V C -0.654 175.354 176.094 -0.143 0.000 1.038 495 V CA -0.918 61.257 62.300 -0.208 0.000 0.887 495 V CB 1.705 33.362 31.823 -0.275 0.000 0.991 495 V HN 0.818 nan 8.190 nan 0.000 0.434 496 D N 3.193 123.507 120.400 -0.142 0.000 2.483 496 D HA 0.081 4.719 4.640 -0.004 0.000 0.220 496 D C 1.515 177.755 176.300 -0.100 0.000 1.173 496 D CA 0.265 54.212 54.000 -0.089 0.000 0.964 496 D CB 1.188 41.952 40.800 -0.059 0.000 1.046 496 D HN 0.763 nan 8.370 nan 0.000 0.517 497 T N 0.892 115.393 114.554 -0.088 0.000 2.833 497 T HA -0.159 4.188 4.350 -0.004 0.000 0.269 497 T C 1.675 176.340 174.700 -0.058 0.000 1.054 497 T CA 0.641 62.695 62.100 -0.077 0.000 1.135 497 T CB 0.104 68.935 68.868 -0.061 0.000 0.869 497 T HN 0.126 nan 8.240 nan 0.000 0.466 498 K N 1.235 121.606 120.400 -0.048 0.000 2.057 498 K HA -0.011 4.307 4.320 -0.004 0.000 0.207 498 K C 2.519 179.095 176.600 -0.041 0.000 1.049 498 K CA 1.552 57.816 56.287 -0.038 0.000 0.931 498 K CB -0.435 32.047 32.500 -0.031 0.000 0.714 498 K HN 0.404 nan 8.250 nan 0.000 0.440 499 R N 1.344 121.816 120.500 -0.048 0.000 2.073 499 R HA -0.012 4.325 4.340 -0.004 0.000 0.234 499 R C 2.367 178.635 176.300 -0.054 0.000 1.134 499 R CA 1.075 57.145 56.100 -0.050 0.000 0.952 499 R CB -0.619 29.648 30.300 -0.055 0.000 0.850 499 R HN 0.100 nan 8.270 nan 0.000 0.433 500 L N 0.392 121.576 121.223 -0.065 0.000 2.042 500 L HA -0.188 4.149 4.340 -0.004 0.000 0.210 500 L C 2.326 179.171 176.870 -0.042 0.000 1.076 500 L CA 1.925 56.730 54.840 -0.058 0.000 0.749 500 L CB -0.465 41.549 42.059 -0.075 0.000 0.893 500 L HN 0.399 nan 8.230 nan 0.000 0.432 501 E N -0.654 119.522 120.200 -0.040 0.000 2.110 501 E HA -0.293 4.055 4.350 -0.004 0.000 0.193 501 E C 2.076 178.659 176.600 -0.029 0.000 0.988 501 E CA 1.072 57.453 56.400 -0.032 0.000 0.804 501 E CB -0.050 29.632 29.700 -0.030 0.000 0.745 501 E HN 0.340 nan 8.360 nan 0.000 0.458 502 Q N 0.858 120.639 119.800 -0.031 0.000 2.079 502 Q HA -0.098 4.239 4.340 -0.004 0.000 0.200 502 Q C 1.979 177.961 176.000 -0.030 0.000 0.974 502 Q CA 1.547 57.333 55.803 -0.029 0.000 0.840 502 Q CB -0.075 28.645 28.738 -0.030 0.000 0.898 502 Q HN 0.262 nan 8.270 nan 0.000 0.430 503 M N -1.010 118.569 119.600 -0.034 0.000 2.159 503 M HA -0.067 4.410 4.480 -0.004 0.000 0.263 503 M C 2.032 178.315 176.300 -0.028 0.000 1.063 503 M CA 1.537 56.816 55.300 -0.034 0.000 1.110 503 M CB -0.557 32.020 32.600 -0.037 0.000 1.374 503 M HN 0.424 nan 8.290 nan 0.000 0.411 504 G N 0.610 109.395 108.800 -0.026 0.000 2.432 504 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.219 504 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.219 504 G C 1.614 176.499 174.900 -0.024 0.000 1.135 504 G CA 0.744 45.830 45.100 -0.024 0.000 0.767 504 G HN 0.412 nan 8.290 nan 0.000 0.550 505 K N 0.342 120.728 120.400 -0.022 0.000 2.025 505 K HA -0.022 4.296 4.320 -0.004 0.000 0.207 505 K C 2.429 179.019 176.600 -0.017 0.000 1.049 505 K CA 1.252 57.529 56.287 -0.018 0.000 0.933 505 K CB -0.140 32.350 32.500 -0.016 0.000 0.714 505 K HN 0.362 nan 8.250 nan 0.000 0.438 506 E N 1.021 121.209 120.200 -0.020 0.000 2.077 506 E HA -0.160 4.188 4.350 -0.004 0.000 0.193 506 E C 2.112 178.700 176.600 -0.020 0.000 0.989 506 E CA 0.892 57.282 56.400 -0.017 0.000 0.800 506 E CB -0.110 29.578 29.700 -0.019 0.000 0.746 506 E HN 0.212 nan 8.360 nan 0.000 0.452 507 L N 0.661 121.866 121.223 -0.029 0.000 2.083 507 L HA -0.194 4.144 4.340 -0.004 0.000 0.209 507 L C 2.595 179.438 176.870 -0.045 0.000 1.083 507 L CA 0.952 55.766 54.840 -0.044 0.000 0.752 507 L CB -0.453 41.575 42.059 -0.051 0.000 0.899 507 L HN 0.155 nan 8.230 nan 0.000 0.433 508 A N -0.105 122.696 122.820 -0.032 0.000 1.902 508 A HA -0.228 4.090 4.320 -0.004 0.000 0.217 508 A C 2.148 179.725 177.584 -0.011 0.000 1.181 508 A CA 1.726 53.748 52.037 -0.024 0.000 0.623 508 A CB -0.394 18.596 19.000 -0.016 0.000 0.818 508 A HN 0.479 nan 8.150 nan 0.000 0.443 509 E N -0.386 119.810 120.200 -0.008 0.000 2.047 509 E HA -0.222 4.126 4.350 -0.004 0.000 0.191 509 E C 2.318 178.922 176.600 0.006 0.000 0.987 509 E CA 1.373 57.774 56.400 0.001 0.000 0.799 509 E CB -0.249 29.452 29.700 0.001 0.000 0.752 509 E HN 0.746 nan 8.360 nan 0.000 0.449 510 Q N 0.599 120.400 119.800 0.001 0.000 2.084 510 Q HA -0.134 4.204 4.340 -0.004 0.000 0.202 510 Q C 2.412 178.417 176.000 0.008 0.000 0.978 510 Q CA 0.991 56.801 55.803 0.013 0.000 0.844 510 Q CB -0.141 28.602 28.738 0.007 0.000 0.898 510 Q HN 0.291 nan 8.270 nan 0.000 0.426 511 L N 0.054 121.264 121.223 -0.021 0.000 2.042 511 L HA -0.165 4.173 4.340 -0.004 0.000 0.210 511 L C 2.403 179.314 176.870 0.068 0.000 1.076 511 L CA 1.202 56.042 54.840 0.002 0.000 0.749 511 L CB -0.790 41.234 42.059 -0.058 0.000 0.893 511 L HN 0.369 nan 8.230 nan 0.000 0.432 512 G N -1.126 107.696 108.800 0.036 0.000 2.418 512 G HA2 -0.234 3.723 3.960 -0.004 0.000 0.217 512 G HA3 -0.234 3.723 3.960 -0.004 0.000 0.217 512 G C 1.560 176.467 174.900 0.012 0.000 1.158 512 G CA 1.256 46.374 45.100 0.030 0.000 0.771 512 G HN 0.284 nan 8.290 nan 0.000 0.545 513 T N 0.831 115.396 114.554 0.020 0.000 2.674 513 T HA -0.106 4.242 4.350 -0.004 0.000 0.265 513 T C 2.583 177.287 174.700 0.006 0.000 1.039 513 T CA 1.340 63.451 62.100 0.017 0.000 1.150 513 T CB -0.310 68.577 68.868 0.032 0.000 0.864 513 T HN 0.062 nan 8.240 nan 0.000 0.427 514 V N 1.506 121.442 119.914 0.037 0.000 2.343 514 V HA -0.161 3.957 4.120 -0.004 0.000 0.247 514 V C 2.519 178.549 176.094 -0.106 0.000 1.051 514 V CA 1.815 64.139 62.300 0.041 0.000 1.036 514 V CB -0.629 31.286 31.823 0.153 0.000 0.654 514 V HN 0.555 nan 8.190 nan 0.000 0.451 515 E N -0.191 119.921 120.200 -0.147 0.000 2.058 515 E HA -0.280 4.068 4.350 -0.004 0.000 0.194 515 E C 2.310 178.505 176.600 -0.674 0.000 0.997 515 E CA 1.425 57.521 56.400 -0.507 0.000 0.801 515 E CB -0.034 29.488 29.700 -0.296 0.000 0.746 515 E HN 0.532 nan 8.360 nan 0.000 0.450 516 Q N 0.181 119.811 119.800 -0.282 0.000 2.119 516 Q HA -0.153 4.185 4.340 -0.004 0.000 0.201 516 Q C 2.204 178.146 176.000 -0.097 0.000 0.972 516 Q CA 1.129 56.859 55.803 -0.121 0.000 0.847 516 Q CB -0.363 28.376 28.738 0.002 0.000 0.903 516 Q HN 0.097 nan 8.270 nan 0.000 0.433 517 R N 0.991 121.432 120.500 -0.100 0.000 2.115 517 R HA 0.003 4.341 4.340 -0.004 0.000 0.230 517 R C 2.021 178.288 176.300 -0.056 0.000 1.111 517 R CA 0.959 57.033 56.100 -0.043 0.000 0.976 517 R CB -0.522 29.767 30.300 -0.019 0.000 0.870 517 R HN 0.267 nan 8.270 nan 0.000 0.445 518 I N -0.458 120.002 120.570 -0.183 0.000 2.252 518 I HA -0.256 3.911 4.170 -0.004 0.000 0.245 518 I C 1.496 177.619 176.117 0.009 0.000 1.102 518 I CA 1.057 62.261 61.300 -0.159 0.000 1.385 518 I CB -0.338 37.426 38.000 -0.394 0.000 1.064 518 I HN 0.122 nan 8.210 nan 0.000 0.414 519 Y N 0.855 121.160 120.300 0.008 0.000 2.242 519 Y HA -0.228 4.320 4.550 -0.004 0.000 0.291 519 Y C 2.555 178.495 175.900 0.065 0.000 1.137 519 Y CA 1.044 59.185 58.100 0.068 0.000 1.181 519 Y CB -0.960 37.505 38.460 0.008 0.000 0.989 519 Y HN 0.270 nan 8.280 nan 0.000 0.527 520 E N 0.408 120.716 120.200 0.181 0.000 2.051 520 E HA -0.175 4.173 4.350 -0.004 0.000 0.192 520 E C 1.946 178.611 176.600 0.107 0.000 0.991 520 E CA 1.255 57.725 56.400 0.118 0.000 0.799 520 E CB -0.309 29.436 29.700 0.076 0.000 0.748 520 E HN 0.435 nan 8.360 nan 0.000 0.449 521 L N 0.086 121.375 121.223 0.110 0.000 2.217 521 L HA -0.048 4.290 4.340 -0.004 0.000 0.211 521 L C 2.458 179.398 176.870 0.117 0.000 1.107 521 L CA 0.790 55.712 54.840 0.137 0.000 0.783 521 L CB -0.221 41.939 42.059 0.168 0.000 0.919 521 L HN 0.212 nan 8.230 nan 0.000 0.442 522 A N -0.600 122.285 122.820 0.109 0.000 2.072 522 A HA 0.251 4.569 4.320 -0.004 0.000 0.216 522 A C 1.863 179.463 177.584 0.027 0.000 1.156 522 A CA 0.873 52.933 52.037 0.037 0.000 0.701 522 A CB -0.263 18.817 19.000 0.133 0.000 0.816 522 A HN 0.478 nan 8.150 nan 0.000 0.458 523 G N -1.154 107.692 108.800 0.077 0.000 2.159 523 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.256 523 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.256 523 G C -0.021 174.907 174.900 0.045 0.000 0.977 523 G CA 0.871 46.001 45.100 0.049 0.000 0.652 523 G HN 1.549 nan 8.290 nan 0.000 0.531 524 Q N -1.710 118.144 119.800 0.090 0.000 2.874 524 Q HA 0.607 4.945 4.340 -0.004 0.000 0.303 524 Q C -1.482 174.584 176.000 0.109 0.000 0.876 524 Q CA -1.079 54.758 55.803 0.057 0.000 0.765 524 Q CB 0.666 29.410 28.738 0.010 0.000 1.478 524 Q HN 0.265 nan 8.270 nan 0.000 0.434 525 E N 0.653 120.785 120.200 -0.113 0.000 2.214 525 E HA 0.688 5.035 4.350 -0.004 0.000 0.274 525 E C -1.008 175.557 176.600 -0.059 0.000 0.977 525 E CA -0.542 55.524 56.400 -0.557 0.000 0.827 525 E CB 1.290 30.478 29.700 -0.853 0.000 1.130 525 E HN 0.453 nan 8.360 nan 0.000 0.394 526 F N -0.932 118.863 119.950 -0.259 0.000 2.773 526 F HA 0.335 4.860 4.527 -0.004 0.000 0.314 526 F C -1.008 174.833 175.800 0.068 0.000 1.160 526 F CA -1.473 56.497 58.000 -0.049 0.000 0.920 526 F CB 0.696 39.693 39.000 -0.005 0.000 1.323 526 F HN 0.148 nan 8.300 nan 0.000 0.457 527 N N 2.057 120.795 118.700 0.063 0.000 2.448 527 N HA 0.229 4.967 4.740 -0.004 0.000 0.250 527 N C 0.901 176.379 175.510 -0.053 0.000 1.136 527 N CA 0.033 53.075 53.050 -0.014 0.000 0.953 527 N CB 0.296 38.825 38.487 0.069 0.000 1.251 527 N HN 0.789 nan 8.380 nan 0.000 0.502 528 I N 1.823 122.194 120.570 -0.331 0.000 2.423 528 I HA -0.245 3.923 4.170 -0.004 0.000 0.254 528 I C 1.220 177.369 176.117 0.053 0.000 1.151 528 I CA 0.707 61.839 61.300 -0.280 0.000 1.421 528 I CB -0.103 37.507 38.000 -0.650 0.000 1.079 528 I HN 0.402 nan 8.210 nan 0.000 0.431 529 N N 0.458 119.220 118.700 0.104 0.000 2.449 529 N HA -0.019 4.719 4.740 -0.004 0.000 0.191 529 N C 0.527 176.106 175.510 0.116 0.000 1.161 529 N CA 0.312 53.445 53.050 0.138 0.000 0.863 529 N CB 0.241 38.804 38.487 0.128 0.000 0.980 529 N HN 0.099 nan 8.380 nan 0.000 0.458 530 S N 1.241 117.018 115.700 0.128 0.000 2.474 530 S HA 0.349 4.817 4.470 -0.004 0.000 0.320 530 S C -1.751 172.941 174.600 0.153 0.000 1.067 530 S CA -1.703 56.576 58.200 0.131 0.000 1.127 530 S CB 1.315 64.595 63.200 0.133 0.000 0.971 530 S HN -0.116 nan 8.310 nan 0.000 0.472 531 P HA -0.123 nan 4.420 nan 0.000 0.217 531 P C 1.288 178.692 177.300 0.174 0.000 1.148 531 P CA 0.825 64.018 63.100 0.155 0.000 0.828 531 P CB 0.230 32.011 31.700 0.135 0.000 0.783 532 K N 0.195 120.686 120.400 0.151 0.000 2.001 532 K HA -0.131 4.187 4.320 -0.004 0.000 0.208 532 K C 2.145 178.835 176.600 0.150 0.000 1.048 532 K CA 1.678 58.058 56.287 0.155 0.000 0.932 532 K CB -0.863 31.705 32.500 0.113 0.000 0.715 532 K HN 0.083 nan 8.250 nan 0.000 0.437 533 Q N -0.249 119.637 119.800 0.143 0.000 2.119 533 Q HA -0.117 4.221 4.340 -0.004 0.000 0.201 533 Q C 1.994 178.045 176.000 0.085 0.000 0.972 533 Q CA 1.318 57.202 55.803 0.135 0.000 0.847 533 Q CB -0.185 28.687 28.738 0.224 0.000 0.903 533 Q HN 0.233 nan 8.270 nan 0.000 0.433 534 L N 0.415 121.740 121.223 0.169 0.000 2.056 534 L HA -0.028 4.310 4.340 -0.004 0.000 0.207 534 L C 2.108 178.930 176.870 -0.079 0.000 1.078 534 L CA 2.199 57.105 54.840 0.109 0.000 0.749 534 L CB -1.012 41.167 42.059 0.200 0.000 0.901 534 L HN 0.156 nan 8.230 nan 0.000 0.433 535 G N -1.067 107.767 108.800 0.056 0.000 2.442 535 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.219 535 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.219 535 G C 1.511 176.318 174.900 -0.156 0.000 1.141 535 G CA 1.110 46.265 45.100 0.092 0.000 0.763 535 G HN 0.352 nan 8.290 nan 0.000 0.554 536 V N 1.371 121.240 119.914 -0.074 0.000 2.358 536 V HA -0.114 4.003 4.120 -0.004 0.000 0.246 536 V C 2.774 178.705 176.094 -0.272 0.000 1.047 536 V CA 1.024 63.254 62.300 -0.116 0.000 1.035 536 V CB -0.287 31.510 31.823 -0.044 0.000 0.658 536 V HN 0.271 nan 8.190 nan 0.000 0.452 537 I N -0.280 120.052 120.570 -0.397 0.000 2.202 537 I HA -0.193 3.975 4.170 -0.004 0.000 0.242 537 I C 2.345 178.165 176.117 -0.495 0.000 1.091 537 I CA 1.811 62.799 61.300 -0.520 0.000 1.368 537 I CB -0.991 36.480 38.000 -0.882 0.000 1.058 537 I HN 0.271 nan 8.210 nan 0.000 0.410 538 L N -0.489 120.369 121.223 -0.609 0.000 1.988 538 L HA -0.172 4.166 4.340 -0.004 0.000 0.207 538 L C 2.393 178.764 176.870 -0.831 0.000 1.071 538 L CA 1.472 55.822 54.840 -0.817 0.000 0.744 538 L CB -0.689 40.643 42.059 -1.212 0.000 0.893 538 L HN 0.084 nan 8.230 nan 0.000 0.433 539 F N -0.687 119.016 119.950 -0.412 0.000 2.743 539 F HA 0.057 4.582 4.527 -0.004 0.000 0.297 539 F C 2.131 177.729 175.800 -0.338 0.000 1.131 539 F CA 0.257 57.985 58.000 -0.453 0.000 1.426 539 F CB -0.206 38.292 39.000 -0.835 0.000 1.116 539 F HN 0.072 nan 8.300 nan 0.000 0.583 540 E N -0.021 120.063 120.200 -0.193 0.000 2.290 540 E HA 0.008 4.356 4.350 -0.004 0.000 0.195 540 E C 1.863 178.395 176.600 -0.113 0.000 0.938 540 E CA -0.026 56.314 56.400 -0.100 0.000 1.018 540 E CB 0.036 29.700 29.700 -0.059 0.000 1.042 540 E HN 0.095 nan 8.360 nan 0.000 0.483 541 K N 1.144 121.446 120.400 -0.162 0.000 2.057 541 K HA -0.044 4.274 4.320 -0.004 0.000 0.207 541 K C 1.811 178.323 176.600 -0.146 0.000 1.049 541 K CA 1.031 57.229 56.287 -0.148 0.000 0.931 541 K CB 0.105 32.493 32.500 -0.188 0.000 0.714 541 K HN 0.053 nan 8.250 nan 0.000 0.440 542 L N 0.590 121.688 121.223 -0.209 0.000 2.607 542 L HA 0.081 4.419 4.340 -0.004 0.000 0.228 542 L C 0.119 176.915 176.870 -0.123 0.000 1.123 542 L CA -0.070 54.655 54.840 -0.193 0.000 0.890 542 L CB 0.260 42.104 42.059 -0.359 0.000 1.103 542 L HN 0.252 nan 8.230 nan 0.000 0.468 543 Q N 0.451 120.183 119.800 -0.113 0.000 2.481 543 Q HA -0.190 4.148 4.340 -0.004 0.000 0.272 543 Q C -0.081 175.886 176.000 -0.055 0.000 1.157 543 Q CA 0.874 56.643 55.803 -0.058 0.000 0.935 543 Q CB -2.022 26.701 28.738 -0.025 0.000 1.338 543 Q HN 0.490 nan 8.270 nan 0.000 0.494 544 L N 0.779 121.944 121.223 -0.096 0.000 2.452 544 L HA 0.196 4.534 4.340 -0.004 0.000 0.267 544 L C -1.550 175.346 176.870 0.043 0.000 1.188 544 L CA -1.624 53.165 54.840 -0.086 0.000 0.821 544 L CB -0.097 41.861 42.059 -0.168 0.000 1.102 544 L HN -0.145 nan 8.230 nan 0.000 0.470 545 P HA 0.008 nan 4.420 nan 0.000 0.268 545 P C -0.791 176.520 177.300 0.018 0.000 1.204 545 P CA -0.123 62.920 63.100 -0.094 0.000 0.768 545 P CB 0.559 32.086 31.700 -0.288 0.000 0.842 546 V N 5.568 125.437 119.914 -0.076 0.000 2.334 546 V HA 0.117 4.235 4.120 -0.004 0.000 0.267 546 V C 1.282 177.288 176.094 -0.147 0.000 1.040 546 V CA 0.207 62.349 62.300 -0.263 0.000 0.866 546 V CB 0.254 31.942 31.823 -0.225 0.000 1.019 546 V HN 0.538 nan 8.190 nan 0.000 0.468 547 L N 3.425 124.574 121.223 -0.122 0.000 2.590 547 L HA 0.408 4.746 4.340 -0.004 0.000 0.227 547 L C 0.762 177.603 176.870 -0.047 0.000 1.099 547 L CA 0.393 55.202 54.840 -0.051 0.000 0.872 547 L CB 0.222 42.280 42.059 -0.001 0.000 1.088 547 L HN 0.538 nan 8.230 nan 0.000 0.479 548 K N 0.394 120.742 120.400 -0.086 0.000 2.572 548 K HA 0.396 4.714 4.320 -0.004 0.000 0.263 548 K C -1.339 175.212 176.600 -0.083 0.000 0.932 548 K CA -0.594 55.660 56.287 -0.054 0.000 0.838 548 K CB 2.254 34.751 32.500 -0.006 0.000 1.366 548 K HN -0.194 nan 8.250 nan 0.000 0.425 549 K N 0.122 120.483 120.400 -0.063 0.000 2.380 549 K HA 0.505 4.823 4.320 -0.004 0.000 0.243 549 K C 0.250 176.830 176.600 -0.033 0.000 1.071 549 K CA -0.487 55.756 56.287 -0.074 0.000 0.942 549 K CB 1.578 34.009 32.500 -0.115 0.000 1.324 549 K HN 0.813 nan 8.250 nan 0.000 0.517 550 T N -2.312 112.219 114.554 -0.038 0.000 2.977 550 T HA 0.293 4.640 4.350 -0.004 0.000 0.152 550 T C 0.708 175.393 174.700 -0.024 0.000 0.867 550 T CA -0.372 61.721 62.100 -0.012 0.000 0.917 550 T CB 0.151 69.028 68.868 0.016 0.000 2.051 550 T HN 0.271 nan 8.240 nan 0.000 0.350 551 K N -0.193 120.192 120.400 -0.026 0.000 2.826 551 K HA 0.318 4.636 4.320 -0.004 0.000 0.195 551 K C 2.020 178.597 176.600 -0.039 0.000 1.516 551 K CA 0.764 57.034 56.287 -0.028 0.000 1.213 551 K CB -0.043 32.452 32.500 -0.008 0.000 1.762 551 K HN 0.410 nan 8.250 nan 0.000 0.583 552 T N 0.457 114.994 114.554 -0.029 0.000 3.057 552 T HA 0.216 4.564 4.350 -0.004 0.000 0.254 552 T C 0.852 175.513 174.700 -0.065 0.000 1.094 552 T CA 0.912 62.994 62.100 -0.030 0.000 1.088 552 T CB 0.603 69.472 68.868 0.002 0.000 0.934 552 T HN 0.386 nan 8.240 nan 0.000 0.497 553 G N -0.412 108.333 108.800 -0.092 0.000 2.929 553 G HA2 0.474 4.432 3.960 -0.004 0.000 0.123 553 G HA3 0.474 4.432 3.960 -0.004 0.000 0.123 553 G C -1.702 173.028 174.900 -0.282 0.000 1.212 553 G CA -0.786 44.186 45.100 -0.214 0.000 1.238 553 G HN 0.193 nan 8.290 nan 0.000 0.617 554 Y N 0.477 120.783 120.300 0.011 0.000 2.403 554 Y HA 0.712 5.260 4.550 -0.004 0.000 0.323 554 Y C 0.844 176.751 175.900 0.013 0.000 1.226 554 Y CA -0.530 57.530 58.100 -0.067 0.000 1.235 554 Y CB 1.841 40.232 38.460 -0.114 0.000 1.248 554 Y HN 0.358 nan 8.280 nan 0.000 0.489 555 S N 0.240 116.013 115.700 0.121 0.000 2.499 555 S HA 0.334 4.802 4.470 -0.004 0.000 0.279 555 S C 0.331 175.071 174.600 0.235 0.000 1.219 555 S CA -0.237 58.041 58.200 0.131 0.000 1.062 555 S CB 0.064 63.300 63.200 0.060 0.000 0.978 555 S HN 0.818 nan 8.310 nan 0.000 0.489 556 T N 0.609 115.299 114.554 0.228 0.000 3.339 556 T HA 0.293 4.641 4.350 -0.004 0.000 0.292 556 T C 0.478 175.276 174.700 0.163 0.000 1.012 556 T CA -0.193 62.052 62.100 0.240 0.000 0.937 556 T CB -0.582 68.420 68.868 0.224 0.000 1.164 556 T HN 0.624 nan 8.240 nan 0.000 0.509 557 S N 0.755 116.537 115.700 0.136 0.000 2.572 557 S HA 0.530 4.998 4.470 -0.004 0.000 0.267 557 S C 1.927 176.590 174.600 0.104 0.000 1.361 557 S CA -0.208 58.056 58.200 0.106 0.000 1.009 557 S CB 0.600 63.852 63.200 0.087 0.000 0.888 557 S HN 0.569 nan 8.310 nan 0.000 0.553 558 A N 1.580 124.454 122.820 0.090 0.000 1.908 558 A HA -0.186 4.132 4.320 -0.004 0.000 0.218 558 A C 1.766 179.399 177.584 0.080 0.000 1.181 558 A CA 2.048 54.136 52.037 0.085 0.000 0.627 558 A CB -1.574 17.471 19.000 0.075 0.000 0.818 558 A HN 1.037 nan 8.150 nan 0.000 0.445 559 D N -0.488 119.956 120.400 0.073 0.000 2.178 559 D HA -0.100 4.538 4.640 -0.004 0.000 0.201 559 D C 1.468 177.815 176.300 0.078 0.000 0.980 559 D CA 1.349 55.388 54.000 0.065 0.000 0.842 559 D CB -0.575 40.257 40.800 0.052 0.000 0.948 559 D HN 0.231 nan 8.370 nan 0.000 0.472 560 V N 0.525 120.496 119.914 0.095 0.000 2.323 560 V HA -0.137 3.981 4.120 -0.004 0.000 0.244 560 V C 2.607 178.784 176.094 0.138 0.000 1.041 560 V CA 1.119 63.490 62.300 0.118 0.000 1.025 560 V CB -0.563 31.346 31.823 0.144 0.000 0.656 560 V HN 0.266 nan 8.190 nan 0.000 0.451 561 L N -0.228 121.075 121.223 0.133 0.000 2.083 561 L HA -0.191 4.147 4.340 -0.004 0.000 0.209 561 L C 2.560 179.497 176.870 0.111 0.000 1.083 561 L CA 1.614 56.528 54.840 0.123 0.000 0.752 561 L CB -0.752 41.370 42.059 0.106 0.000 0.899 561 L HN 0.412 nan 8.230 nan 0.000 0.433 562 E N 0.475 120.733 120.200 0.096 0.000 2.118 562 E HA -0.242 4.106 4.350 -0.004 0.000 0.195 562 E C 2.094 178.748 176.600 0.090 0.000 0.992 562 E CA 1.242 57.691 56.400 0.080 0.000 0.804 562 E CB -0.013 29.725 29.700 0.063 0.000 0.741 562 E HN 0.487 nan 8.360 nan 0.000 0.458 563 K N 0.195 120.660 120.400 0.108 0.000 2.228 563 K HA 0.019 4.337 4.320 -0.004 0.000 0.202 563 K C 1.923 178.651 176.600 0.212 0.000 1.051 563 K CA 0.486 56.852 56.287 0.132 0.000 0.960 563 K CB 0.187 32.760 32.500 0.122 0.000 0.743 563 K HN 0.113 nan 8.250 nan 0.000 0.458 564 L N 0.293 121.645 121.223 0.216 0.000 2.509 564 L HA 0.075 4.413 4.340 -0.004 0.000 0.222 564 L C 2.341 179.383 176.870 0.287 0.000 1.123 564 L CA 0.013 55.035 54.840 0.304 0.000 0.856 564 L CB -0.367 41.808 42.059 0.193 0.000 0.985 564 L HN 0.117 nan 8.230 nan 0.000 0.456 565 A N 1.502 124.424 122.820 0.169 0.000 1.903 565 A HA -0.185 4.133 4.320 -0.004 0.000 0.219 565 A C -0.035 177.597 177.584 0.081 0.000 1.191 565 A CA 1.938 54.043 52.037 0.112 0.000 0.638 565 A CB -1.804 17.238 19.000 0.069 0.000 0.823 565 A HN 0.282 nan 8.150 nan 0.000 0.451 566 P HA -0.132 nan 4.420 nan 0.000 0.221 566 P C 0.627 177.820 177.300 -0.178 0.000 1.145 566 P CA 1.062 64.084 63.100 -0.130 0.000 0.795 566 P CB -0.160 31.388 31.700 -0.253 0.000 0.775 567 Y N -3.164 117.162 120.300 0.044 0.000 2.420 567 Y HA 0.057 4.605 4.550 -0.004 0.000 0.292 567 Y C 1.440 177.393 175.900 0.087 0.000 1.119 567 Y CA 0.852 58.986 58.100 0.056 0.000 1.229 567 Y CB 0.025 38.528 38.460 0.070 0.000 1.026 567 Y HN 0.029 nan 8.280 nan 0.000 0.554 568 H N -0.584 118.560 119.070 0.124 0.000 3.086 568 H HA 0.098 4.652 4.556 -0.004 0.000 0.353 568 H C 0.249 175.595 175.328 0.031 0.000 1.134 568 H CA -0.503 55.580 56.048 0.058 0.000 1.248 568 H CB 1.773 31.557 29.762 0.038 0.000 1.878 568 H HN 0.220 nan 8.280 nan 0.000 0.527 569 E N 4.036 124.225 120.200 -0.018 0.000 2.204 569 E HA -0.114 4.234 4.350 -0.004 0.000 0.195 569 E C 1.589 178.296 176.600 0.178 0.000 0.990 569 E CA 0.912 57.345 56.400 0.054 0.000 0.821 569 E CB 0.232 29.907 29.700 -0.042 0.000 0.750 569 E HN 0.648 nan 8.360 nan 0.000 0.477 570 I N 0.191 121.003 120.570 0.402 0.000 2.361 570 I HA -0.240 3.928 4.170 -0.004 0.000 0.251 570 I C 1.885 178.062 176.117 0.101 0.000 1.133 570 I CA 0.607 62.020 61.300 0.189 0.000 1.413 570 I CB 0.124 38.155 38.000 0.052 0.000 1.073 570 I HN 0.062 nan 8.210 nan 0.000 0.424 571 V N 2.182 122.163 119.914 0.110 0.000 2.255 571 V HA -0.324 3.794 4.120 -0.004 0.000 0.247 571 V C 2.455 178.599 176.094 0.084 0.000 1.051 571 V CA 2.419 64.766 62.300 0.078 0.000 1.018 571 V CB -1.134 30.744 31.823 0.093 0.000 0.641 571 V HN 0.625 nan 8.190 nan 0.000 0.445 572 E N 0.527 120.776 120.200 0.080 0.000 2.118 572 E HA -0.277 4.071 4.350 -0.004 0.000 0.195 572 E C 1.889 178.545 176.600 0.092 0.000 0.992 572 E CA 1.791 58.232 56.400 0.069 0.000 0.804 572 E CB -0.529 29.193 29.700 0.036 0.000 0.741 572 E HN 0.626 nan 8.360 nan 0.000 0.458 573 N N 0.897 119.651 118.700 0.090 0.000 2.188 573 N HA -0.076 4.661 4.740 -0.004 0.000 0.184 573 N C 2.063 177.655 175.510 0.138 0.000 1.018 573 N CA 1.260 54.377 53.050 0.112 0.000 0.858 573 N CB -0.106 38.419 38.487 0.063 0.000 0.989 573 N HN 0.306 nan 8.380 nan 0.000 0.426 574 I N 1.282 121.914 120.570 0.102 0.000 2.226 574 I HA -0.228 3.939 4.170 -0.004 0.000 0.245 574 I C 2.187 178.404 176.117 0.168 0.000 1.100 574 I CA 0.803 62.171 61.300 0.114 0.000 1.374 574 I CB -0.204 37.845 38.000 0.082 0.000 1.057 574 I HN 0.052 nan 8.210 nan 0.000 0.413 575 L N -0.203 121.107 121.223 0.145 0.000 2.046 575 L HA -0.266 4.072 4.340 -0.004 0.000 0.208 575 L C 2.744 179.715 176.870 0.168 0.000 1.077 575 L CA 1.435 56.358 54.840 0.139 0.000 0.747 575 L CB -0.806 41.323 42.059 0.116 0.000 0.896 575 L HN 0.314 nan 8.230 nan 0.000 0.432 576 H N -0.991 118.124 119.070 0.075 0.000 2.357 576 H HA -0.249 4.305 4.556 -0.004 0.000 0.301 576 H C 2.064 177.433 175.328 0.070 0.000 1.082 576 H CA 1.785 57.868 56.048 0.058 0.000 1.342 576 H CB -0.255 29.537 29.762 0.050 0.000 1.389 576 H HN 0.303 nan 8.280 nan 0.000 0.511 577 Y N 1.193 121.467 120.300 -0.043 0.000 2.165 577 Y HA -0.205 4.343 4.550 -0.004 0.000 0.286 577 Y C 2.491 178.333 175.900 -0.097 0.000 1.155 577 Y CA 1.919 59.947 58.100 -0.119 0.000 1.164 577 Y CB -0.161 38.246 38.460 -0.089 0.000 0.978 577 Y HN 0.090 nan 8.280 nan 0.000 0.513 578 R N -0.129 120.382 120.500 0.018 0.000 2.092 578 R HA -0.208 4.130 4.340 -0.004 0.000 0.231 578 R C 2.437 178.684 176.300 -0.089 0.000 1.119 578 R CA 1.598 57.674 56.100 -0.041 0.000 0.970 578 R CB -0.394 29.948 30.300 0.071 0.000 0.864 578 R HN 0.546 nan 8.270 nan 0.000 0.440 579 Q N 1.143 120.905 119.800 -0.064 0.000 2.020 579 Q HA -0.164 4.173 4.340 -0.004 0.000 0.202 579 Q C 2.042 177.972 176.000 -0.117 0.000 0.982 579 Q CA 1.455 57.227 55.803 -0.052 0.000 0.838 579 Q CB -0.085 28.650 28.738 -0.005 0.000 0.899 579 Q HN 0.335 nan 8.270 nan 0.000 0.423 580 L N 0.108 121.186 121.223 -0.242 0.000 2.093 580 L HA -0.063 4.275 4.340 -0.004 0.000 0.208 580 L C 2.552 179.279 176.870 -0.239 0.000 1.085 580 L CA 0.960 55.649 54.840 -0.252 0.000 0.755 580 L CB -0.836 41.009 42.059 -0.358 0.000 0.904 580 L HN 0.449 nan 8.230 nan 0.000 0.435 581 G N 0.319 108.906 108.800 -0.355 0.000 2.422 581 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.218 581 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.218 581 G C 1.682 176.484 174.900 -0.165 0.000 1.146 581 G CA 0.930 45.822 45.100 -0.347 0.000 0.769 581 G HN 0.204 nan 8.290 nan 0.000 0.547 582 K N 0.466 120.809 120.400 -0.094 0.000 2.103 582 K HA 0.147 4.465 4.320 -0.004 0.000 0.204 582 K C 2.421 179.063 176.600 0.070 0.000 1.052 582 K CA 0.734 57.017 56.287 -0.006 0.000 0.945 582 K CB -0.532 32.005 32.500 0.061 0.000 0.722 582 K HN 0.342 nan 8.250 nan 0.000 0.443 583 L N 0.332 121.610 121.223 0.091 0.000 2.046 583 L HA -0.192 4.146 4.340 -0.004 0.000 0.208 583 L C 2.660 179.581 176.870 0.086 0.000 1.077 583 L CA 1.547 56.489 54.840 0.172 0.000 0.747 583 L CB -0.542 41.553 42.059 0.060 0.000 0.896 583 L HN 0.304 nan 8.230 nan 0.000 0.432 584 Q N 0.331 120.124 119.800 -0.012 0.000 2.016 584 Q HA -0.182 4.156 4.340 -0.004 0.000 0.200 584 Q C 2.435 178.409 176.000 -0.043 0.000 0.978 584 Q CA 2.427 58.208 55.803 -0.036 0.000 0.833 584 Q CB -0.225 28.466 28.738 -0.078 0.000 0.895 584 Q HN 0.521 nan 8.270 nan 0.000 0.427 585 S N -1.753 113.908 115.700 -0.066 0.000 2.355 585 S HA -0.113 4.355 4.470 -0.004 0.000 0.222 585 S C 1.935 176.468 174.600 -0.110 0.000 1.031 585 S CA 1.562 59.716 58.200 -0.077 0.000 0.993 585 S CB -0.711 62.441 63.200 -0.079 0.000 0.859 585 S HN 0.432 nan 8.310 nan 0.000 0.453 586 T N 0.192 114.637 114.554 -0.181 0.000 2.925 586 T HA 0.219 4.567 4.350 -0.004 0.000 0.245 586 T C 1.169 175.628 174.700 -0.402 0.000 1.025 586 T CA 0.794 62.673 62.100 -0.369 0.000 1.149 586 T CB -0.433 68.038 68.868 -0.661 0.000 0.866 586 T HN 0.538 nan 8.240 nan 0.000 0.437 587 Y N 0.354 120.665 120.300 0.019 0.000 2.490 587 Y HA 0.286 4.834 4.550 -0.004 0.000 0.281 587 Y C 1.672 177.587 175.900 0.024 0.000 1.174 587 Y CA -0.252 57.875 58.100 0.044 0.000 1.295 587 Y CB 0.089 38.580 38.460 0.052 0.000 1.062 587 Y HN 0.155 nan 8.280 nan 0.000 0.522 588 I N -0.896 119.725 120.570 0.084 0.000 3.632 588 I HA -0.008 4.159 4.170 -0.004 0.000 0.246 588 I C 1.831 177.947 176.117 -0.001 0.000 1.125 588 I CA 0.527 61.849 61.300 0.036 0.000 1.519 588 I CB -0.882 37.129 38.000 0.017 0.000 1.555 588 I HN 0.086 nan 8.210 nan 0.000 0.452 589 E N 1.493 121.682 120.200 -0.018 0.000 2.051 589 E HA -0.121 4.226 4.350 -0.004 0.000 0.192 589 E C 2.126 178.706 176.600 -0.033 0.000 0.991 589 E CA 1.385 57.768 56.400 -0.028 0.000 0.799 589 E CB -0.313 29.367 29.700 -0.033 0.000 0.748 589 E HN 0.550 nan 8.360 nan 0.000 0.449 590 G N 1.645 110.415 108.800 -0.051 0.000 2.418 590 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.217 590 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.217 590 G C 1.578 176.459 174.900 -0.031 0.000 1.158 590 G CA 0.576 45.641 45.100 -0.058 0.000 0.771 590 G HN 0.103 nan 8.290 nan 0.000 0.545 591 L N 0.508 121.727 121.223 -0.008 0.000 2.017 591 L HA 0.112 4.450 4.340 -0.004 0.000 0.208 591 L C 2.741 179.610 176.870 -0.003 0.000 1.073 591 L CA 1.340 56.197 54.840 0.028 0.000 0.745 591 L CB -0.557 41.548 42.059 0.076 0.000 0.894 591 L HN 0.206 nan 8.230 nan 0.000 0.432 592 L N -0.670 120.542 121.223 -0.018 0.000 2.187 592 L HA -0.259 4.079 4.340 -0.004 0.000 0.213 592 L C 2.473 179.329 176.870 -0.022 0.000 1.100 592 L CA 1.295 56.118 54.840 -0.028 0.000 0.765 592 L CB -0.578 41.464 42.059 -0.029 0.000 0.904 592 L HN 0.285 nan 8.230 nan 0.000 0.437 593 K N -0.346 120.042 120.400 -0.020 0.000 2.211 593 K HA -0.098 4.220 4.320 -0.004 0.000 0.203 593 K C 1.636 178.226 176.600 -0.015 0.000 1.050 593 K CA 1.450 57.726 56.287 -0.019 0.000 0.945 593 K CB 0.034 32.521 32.500 -0.022 0.000 0.732 593 K HN 0.379 nan 8.250 nan 0.000 0.451 594 V N -2.494 117.414 119.914 -0.009 0.000 3.578 594 V HA 0.160 4.278 4.120 -0.004 0.000 0.290 594 V C 0.546 176.642 176.094 0.003 0.000 1.376 594 V CA -0.526 61.772 62.300 -0.003 0.000 1.083 594 V CB 0.192 32.017 31.823 0.004 0.000 0.911 594 V HN -0.212 nan 8.190 nan 0.000 0.433 595 V N 3.151 123.061 119.914 -0.006 0.000 2.555 595 V HA 0.301 4.419 4.120 -0.004 0.000 0.286 595 V C 0.791 176.887 176.094 0.004 0.000 1.044 595 V CA -0.362 61.932 62.300 -0.010 0.000 1.026 595 V CB 0.695 32.497 31.823 -0.035 0.000 0.981 595 V HN 0.488 nan 8.190 nan 0.000 0.480 596 R N 5.793 126.311 120.500 0.030 0.000 2.370 596 R HA 0.151 4.489 4.340 -0.004 0.000 0.309 596 R C -1.758 174.555 176.300 0.021 0.000 1.059 596 R CA -1.598 54.528 56.100 0.044 0.000 0.981 596 R CB 0.487 30.858 30.300 0.118 0.000 0.972 596 R HN 0.480 nan 8.270 nan 0.000 0.437 597 P HA -0.198 nan 4.420 nan 0.000 0.218 597 P C 0.695 177.998 177.300 0.005 0.000 1.146 597 P CA 1.325 64.426 63.100 0.000 0.000 0.813 597 P CB 0.265 31.963 31.700 -0.004 0.000 0.778 598 D N -1.590 118.821 120.400 0.019 0.000 2.144 598 D HA -0.085 4.552 4.640 -0.004 0.000 0.207 598 D C 1.614 177.925 176.300 0.018 0.000 0.970 598 D CA 1.959 55.972 54.000 0.021 0.000 0.853 598 D CB -1.511 39.311 40.800 0.036 0.000 1.007 598 D HN 0.200 nan 8.370 nan 0.000 0.469 599 T N -3.092 111.483 114.554 0.034 0.000 3.057 599 T HA 0.118 4.465 4.350 -0.004 0.000 0.254 599 T C 0.786 175.480 174.700 -0.009 0.000 1.094 599 T CA -0.141 61.969 62.100 0.017 0.000 1.088 599 T CB 0.056 68.953 68.868 0.048 0.000 0.934 599 T HN -0.084 nan 8.240 nan 0.000 0.497 600 K N 0.634 121.030 120.400 -0.006 0.000 3.230 600 K HA -0.112 4.206 4.320 -0.004 0.000 0.285 600 K C -0.461 176.106 176.600 -0.055 0.000 1.196 600 K CA 0.745 57.012 56.287 -0.033 0.000 0.838 600 K CB -1.853 30.621 32.500 -0.044 0.000 1.262 600 K HN 0.589 nan 8.250 nan 0.000 0.492 601 K N 0.267 120.637 120.400 -0.049 0.000 2.166 601 K HA 0.556 4.874 4.320 -0.004 0.000 0.245 601 K C 0.295 176.799 176.600 -0.160 0.000 0.967 601 K CA -0.822 55.380 56.287 -0.140 0.000 0.863 601 K CB 2.013 34.367 32.500 -0.244 0.000 1.107 601 K HN 0.016 nan 8.250 nan 0.000 0.436 602 V N -0.878 118.905 119.914 -0.218 0.000 2.513 602 V HA 0.413 4.531 4.120 -0.004 0.000 0.299 602 V C -0.570 175.315 176.094 -0.348 0.000 1.035 602 V CA -0.701 61.514 62.300 -0.143 0.000 0.889 602 V CB 1.465 33.296 31.823 0.013 0.000 0.988 602 V HN 0.714 nan 8.190 nan 0.000 0.440 603 H N 2.371 121.372 119.070 -0.115 0.000 2.736 603 H HA 0.382 4.936 4.556 -0.003 0.000 0.271 603 H C 0.274 175.506 175.328 -0.159 0.000 1.184 603 H CA -0.179 55.715 56.048 -0.257 0.000 1.378 603 H CB 1.651 30.993 29.762 -0.700 0.000 1.428 603 H HN 0.879 nan 8.280 nan 0.000 0.500 604 T N 2.506 117.038 114.554 -0.036 0.000 2.726 604 T HA 0.354 4.702 4.350 -0.004 0.000 0.294 604 T C 0.553 175.236 174.700 -0.028 0.000 1.013 604 T CA -0.242 61.789 62.100 -0.115 0.000 0.996 604 T CB 0.334 68.980 68.868 -0.370 0.000 1.016 604 T HN 0.419 nan 8.240 nan 0.000 0.529 605 I N 2.432 122.908 120.570 -0.156 0.000 2.447 605 I HA 0.324 4.491 4.170 -0.004 0.000 0.287 605 I C -0.986 175.043 176.117 -0.146 0.000 1.023 605 I CA -0.694 60.557 61.300 -0.081 0.000 1.083 605 I CB 1.488 39.376 38.000 -0.187 0.000 1.245 605 I HN 0.554 nan 8.210 nan 0.000 0.434 606 F N 4.935 124.953 119.950 0.113 0.000 2.421 606 F HA 0.239 4.764 4.527 -0.004 0.000 0.358 606 F C 0.914 176.746 175.800 0.053 0.000 1.115 606 F CA -0.361 57.684 58.000 0.076 0.000 1.160 606 F CB 0.496 39.538 39.000 0.069 0.000 1.123 606 F HN 0.435 nan 8.300 nan 0.000 0.508 607 N N 3.848 122.658 118.700 0.184 0.000 2.401 607 N HA -0.008 4.730 4.740 -0.004 0.000 0.255 607 N C 0.529 176.056 175.510 0.030 0.000 1.110 607 N CA 0.270 53.369 53.050 0.081 0.000 0.949 607 N CB 0.963 39.478 38.487 0.046 0.000 1.110 607 N HN 0.759 nan 8.380 nan 0.000 0.490 608 Q N 2.698 122.467 119.800 -0.052 0.000 2.392 608 Q HA 0.195 4.533 4.340 -0.004 0.000 0.203 608 Q C -0.232 175.460 176.000 -0.512 0.000 0.917 608 Q CA 0.171 55.883 55.803 -0.153 0.000 0.939 608 Q CB 0.371 29.047 28.738 -0.103 0.000 1.063 608 Q HN 0.635 nan 8.270 nan 0.000 0.516 609 A N 0.516 122.974 122.820 -0.603 0.000 2.956 609 A HA 0.323 4.641 4.320 -0.004 0.000 0.294 609 A C 0.036 177.237 177.584 -0.638 0.000 0.993 609 A CA -0.352 50.968 52.037 -1.195 0.000 1.032 609 A CB 0.144 18.767 19.000 -0.629 0.000 1.129 609 A HN 0.440 nan 8.150 nan 0.000 0.505 610 L N -0.525 120.486 121.223 -0.355 0.000 2.664 610 L HA 0.254 4.592 4.340 -0.004 0.000 0.198 610 L C 1.304 178.292 176.870 0.197 0.000 1.057 610 L CA 1.031 55.880 54.840 0.016 0.000 0.871 610 L CB 0.405 42.477 42.059 0.022 0.000 1.364 610 L HN 0.420 nan 8.230 nan 0.000 0.483 611 T N -1.462 113.213 114.554 0.201 0.000 2.932 611 T HA 0.007 4.355 4.350 -0.004 0.000 0.312 611 T C 0.771 175.621 174.700 0.250 0.000 1.071 611 T CA -0.367 61.857 62.100 0.206 0.000 1.128 611 T CB 0.898 69.863 68.868 0.161 0.000 0.984 611 T HN 0.265 nan 8.240 nan 0.000 0.549 612 Q N 1.701 121.582 119.800 0.134 0.000 2.472 612 Q HA 0.014 4.352 4.340 -0.004 0.000 0.208 612 Q C 2.128 178.140 176.000 0.020 0.000 0.958 612 Q CA 1.398 57.241 55.803 0.068 0.000 0.932 612 Q CB -0.271 28.485 28.738 0.031 0.000 1.007 612 Q HN 1.038 nan 8.270 nan 0.000 0.508 613 T N -5.158 109.424 114.554 0.047 0.000 3.001 613 T HA 0.402 4.750 4.350 -0.004 0.000 0.251 613 T C 1.283 176.006 174.700 0.038 0.000 1.040 613 T CA 0.586 62.699 62.100 0.022 0.000 0.985 613 T CB 0.806 69.685 68.868 0.019 0.000 1.011 613 T HN 0.288 nan 8.240 nan 0.000 0.509 614 G N 1.482 110.350 108.800 0.113 0.000 2.184 614 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.206 614 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.206 614 G C 0.195 175.199 174.900 0.173 0.000 0.995 614 G CA -0.434 44.760 45.100 0.157 0.000 0.651 614 G HN 0.603 nan 8.290 nan 0.000 0.511 615 R N -0.312 120.280 120.500 0.154 0.000 2.637 615 R HA 0.654 4.992 4.340 -0.004 0.000 0.269 615 R C 0.721 177.132 176.300 0.185 0.000 1.089 615 R CA -0.231 55.968 56.100 0.164 0.000 1.177 615 R CB 0.426 30.808 30.300 0.136 0.000 1.091 615 R HN 0.255 nan 8.270 nan 0.000 0.540 616 L N 0.133 121.482 121.223 0.209 0.000 2.400 616 L HA 0.390 4.728 4.340 -0.004 0.000 0.264 616 L C 0.397 177.430 176.870 0.271 0.000 1.061 616 L CA -0.441 54.514 54.840 0.193 0.000 0.799 616 L CB 1.560 43.713 42.059 0.157 0.000 1.240 616 L HN 0.730 nan 8.230 nan 0.000 0.461 617 S N -0.594 115.255 115.700 0.248 0.000 2.632 617 S HA 0.712 5.180 4.470 -0.004 0.000 0.289 617 S C -0.816 173.913 174.600 0.216 0.000 1.115 617 S CA -0.718 57.621 58.200 0.231 0.000 0.889 617 S CB 2.004 65.297 63.200 0.155 0.000 1.116 617 S HN 0.539 nan 8.310 nan 0.000 0.486 618 S N 0.626 116.400 115.700 0.123 0.000 2.538 618 S HA 0.826 5.294 4.470 -0.004 0.000 0.288 618 S C -0.816 173.759 174.600 -0.042 0.000 1.108 618 S CA -0.189 57.985 58.200 -0.043 0.000 0.971 618 S CB 1.204 64.347 63.200 -0.094 0.000 1.041 618 S HN 1.421 nan 8.310 nan 0.000 0.483 619 T N 0.353 114.850 114.554 -0.094 0.000 2.883 619 T HA 0.610 4.958 4.350 -0.004 0.000 0.301 619 T C -0.345 174.318 174.700 -0.062 0.000 1.158 619 T CA -0.628 61.442 62.100 -0.051 0.000 1.007 619 T CB 1.286 70.136 68.868 -0.029 0.000 1.186 619 T HN 0.824 nan 8.240 nan 0.000 0.499 620 E N 1.553 121.733 120.200 -0.033 0.000 2.197 620 E HA -0.140 4.208 4.350 -0.004 0.000 0.184 620 E C -2.285 174.308 176.600 -0.012 0.000 1.439 620 E CA -0.001 56.385 56.400 -0.023 0.000 0.688 620 E CB -0.503 29.177 29.700 -0.032 0.000 1.090 620 E HN 0.573 nan 8.360 nan 0.000 0.341 621 P HA 0.135 nan 4.420 nan 0.000 0.283 621 P C -0.733 176.570 177.300 0.005 0.000 1.278 621 P CA -0.647 62.465 63.100 0.021 0.000 0.834 621 P CB 0.805 32.554 31.700 0.082 0.000 1.150 622 N N 1.227 119.948 118.700 0.036 0.000 2.401 622 N HA 0.097 4.834 4.740 -0.004 0.000 0.255 622 N C 0.374 175.942 175.510 0.098 0.000 1.110 622 N CA -0.007 53.070 53.050 0.046 0.000 0.949 622 N CB -0.499 38.035 38.487 0.077 0.000 1.110 622 N HN 0.319 nan 8.380 nan 0.000 0.490 623 L N 2.654 123.908 121.223 0.052 0.000 2.653 623 L HA 0.175 4.513 4.340 -0.004 0.000 0.231 623 L C 1.148 178.116 176.870 0.163 0.000 1.153 623 L CA 0.161 55.062 54.840 0.101 0.000 0.933 623 L CB 0.079 42.146 42.059 0.013 0.000 1.175 623 L HN 0.527 nan 8.230 nan 0.000 0.473 624 Q N 0.676 120.559 119.800 0.139 0.000 2.247 624 Q HA 0.081 4.419 4.340 -0.004 0.000 0.204 624 Q C 0.309 176.403 176.000 0.157 0.000 0.872 624 Q CA 0.013 55.893 55.803 0.128 0.000 0.951 624 Q CB 0.417 29.197 28.738 0.069 0.000 1.099 624 Q HN 0.438 nan 8.270 nan 0.000 0.501 625 N N -0.297 118.503 118.700 0.165 0.000 2.536 625 N HA 0.077 4.815 4.740 -0.004 0.000 0.286 625 N C -0.704 174.870 175.510 0.107 0.000 1.577 625 N CA -0.220 52.925 53.050 0.157 0.000 0.883 625 N CB 0.332 38.942 38.487 0.204 0.000 1.390 625 N HN -0.075 nan 8.380 nan 0.000 0.491 626 I N 1.489 122.047 120.570 -0.020 0.000 2.496 626 I HA 0.303 4.471 4.170 -0.004 0.000 0.285 626 I C -1.819 174.052 176.117 -0.409 0.000 1.080 626 I CA -2.025 59.119 61.300 -0.259 0.000 1.404 626 I CB 0.146 37.945 38.000 -0.336 0.000 1.403 626 I HN -0.051 nan 8.210 nan 0.000 0.539 627 P HA 0.102 nan 4.420 nan 0.000 0.264 627 P C 0.608 177.731 177.300 -0.295 0.000 1.179 627 P CA 0.466 63.325 63.100 -0.402 0.000 0.763 627 P CB 1.061 32.493 31.700 -0.447 0.000 0.806 628 I N 1.003 121.453 120.570 -0.199 0.000 5.362 628 I HA 0.053 4.220 4.170 -0.004 0.000 0.359 628 I C 1.653 177.707 176.117 -0.105 0.000 1.172 628 I CA -0.023 61.172 61.300 -0.174 0.000 1.577 628 I CB 0.299 38.173 38.000 -0.210 0.000 1.845 628 I HN 0.107 nan 8.210 nan 0.000 0.632 629 R N 0.828 121.284 120.500 -0.073 0.000 2.081 629 R HA 0.007 4.345 4.340 -0.004 0.000 0.235 629 R C -0.174 176.108 176.300 -0.030 0.000 1.131 629 R CA 1.107 57.185 56.100 -0.037 0.000 0.960 629 R CB -0.156 30.137 30.300 -0.011 0.000 0.856 629 R HN 0.118 nan 8.270 nan 0.000 0.436 630 L N 0.680 121.886 121.223 -0.028 0.000 2.307 630 L HA 0.137 4.475 4.340 -0.004 0.000 0.284 630 L C 1.074 177.939 176.870 -0.008 0.000 1.023 630 L CA -0.071 54.763 54.840 -0.010 0.000 0.810 630 L CB 1.619 43.681 42.059 0.005 0.000 1.231 630 L HN -0.123 nan 8.230 nan 0.000 0.423 631 E N 1.661 121.866 120.200 0.008 0.000 2.086 631 E HA -0.254 4.094 4.350 -0.004 0.000 0.200 631 E C 1.474 178.094 176.600 0.033 0.000 1.012 631 E CA 1.980 58.401 56.400 0.035 0.000 0.812 631 E CB 0.197 29.920 29.700 0.038 0.000 0.743 631 E HN 0.697 nan 8.360 nan 0.000 0.453 632 E N -1.099 119.113 120.200 0.020 0.000 2.118 632 E HA -0.146 4.201 4.350 -0.004 0.000 0.195 632 E C 2.012 178.602 176.600 -0.016 0.000 0.992 632 E CA 0.994 57.400 56.400 0.009 0.000 0.804 632 E CB -0.320 29.400 29.700 0.033 0.000 0.741 632 E HN 0.462 nan 8.360 nan 0.000 0.458 633 G N 0.789 109.572 108.800 -0.029 0.000 2.408 633 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.215 633 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.215 633 G C 1.502 176.348 174.900 -0.089 0.000 1.156 633 G CA 0.234 45.288 45.100 -0.077 0.000 0.793 633 G HN 0.071 nan 8.290 nan 0.000 0.535 634 R N 0.482 120.957 120.500 -0.042 0.000 2.127 634 R HA -0.075 4.263 4.340 -0.004 0.000 0.238 634 R C 2.208 178.572 176.300 0.107 0.000 1.134 634 R CA 1.137 57.242 56.100 0.008 0.000 0.975 634 R CB -0.038 30.302 30.300 0.066 0.000 0.865 634 R HN 0.061 nan 8.270 nan 0.000 0.447 635 K N 0.557 120.964 120.400 0.012 0.000 2.281 635 K HA -0.141 4.177 4.320 -0.004 0.000 0.203 635 K C 1.889 178.428 176.600 -0.103 0.000 1.046 635 K CA 0.717 56.896 56.287 -0.180 0.000 0.938 635 K CB -0.199 32.192 32.500 -0.181 0.000 0.737 635 K HN 0.290 nan 8.250 nan 0.000 0.458 636 I N 1.120 121.671 120.570 -0.032 0.000 2.248 636 I HA -0.272 3.896 4.170 -0.004 0.000 0.248 636 I C 1.958 178.168 176.117 0.155 0.000 1.107 636 I CA 1.313 62.633 61.300 0.034 0.000 1.373 636 I CB -0.697 37.310 38.000 0.013 0.000 1.055 636 I HN 0.194 nan 8.210 nan 0.000 0.418 637 R N 0.362 120.945 120.500 0.139 0.000 2.285 637 R HA -0.135 4.203 4.340 -0.004 0.000 0.213 637 R C 1.911 178.432 176.300 0.368 0.000 1.068 637 R CA 0.500 56.769 56.100 0.282 0.000 1.004 637 R CB -0.187 30.074 30.300 -0.066 0.000 0.873 637 R HN 0.576 nan 8.270 nan 0.000 0.467 638 Q N -0.189 119.705 119.800 0.156 0.000 2.369 638 Q HA -0.001 4.337 4.340 -0.004 0.000 0.206 638 Q C 1.713 177.767 176.000 0.091 0.000 0.963 638 Q CA 1.028 56.880 55.803 0.081 0.000 0.894 638 Q CB 0.216 28.864 28.738 -0.151 0.000 0.965 638 Q HN 0.317 nan 8.270 nan 0.000 0.475 639 A N 0.031 122.892 122.820 0.069 0.000 2.218 639 A HA 0.077 4.394 4.320 -0.004 0.000 0.209 639 A C 0.096 177.578 177.584 -0.170 0.000 1.168 639 A CA 0.044 52.027 52.037 -0.090 0.000 0.804 639 A CB 0.132 19.004 19.000 -0.213 0.000 0.834 639 A HN 0.158 nan 8.150 nan 0.000 0.482 640 F N 0.620 120.681 119.950 0.186 0.000 2.371 640 F HA 0.460 4.985 4.527 -0.004 0.000 0.363 640 F C 0.348 176.256 175.800 0.179 0.000 1.122 640 F CA -0.552 57.575 58.000 0.211 0.000 1.129 640 F CB 1.438 40.684 39.000 0.410 0.000 1.173 640 F HN 0.064 nan 8.300 nan 0.000 0.489 641 V N 1.690 121.731 119.914 0.211 0.000 3.155 641 V HA 0.760 4.878 4.120 -0.004 0.000 0.313 641 V C -2.858 173.309 176.094 0.122 0.000 1.162 641 V CA -3.250 59.146 62.300 0.160 0.000 1.048 641 V CB 1.878 33.756 31.823 0.093 0.000 1.092 641 V HN 0.314 nan 8.190 nan 0.000 0.447 642 P HA 0.216 nan 4.420 nan 0.000 0.269 642 P C 0.678 177.982 177.300 0.006 0.000 1.215 642 P CA 0.312 63.480 63.100 0.114 0.000 0.780 642 P CB 0.784 32.603 31.700 0.198 0.000 0.898 643 S N -0.208 115.446 115.700 -0.077 0.000 2.562 643 S HA 0.063 4.531 4.470 -0.004 0.000 0.221 643 S C 0.369 174.774 174.600 -0.325 0.000 0.975 643 S CA 0.367 58.458 58.200 -0.182 0.000 0.918 643 S CB -0.354 62.736 63.200 -0.183 0.000 0.772 643 S HN 0.462 nan 8.310 nan 0.000 0.531 644 E N 0.664 120.578 120.200 -0.476 0.000 2.369 644 E HA 0.481 4.828 4.350 -0.004 0.000 0.270 644 E C -1.151 175.286 176.600 -0.271 0.000 0.909 644 E CA -0.814 55.241 56.400 -0.575 0.000 0.775 644 E CB 2.027 30.964 29.700 -1.271 0.000 1.270 644 E HN 0.073 nan 8.360 nan 0.000 0.445 645 S N 1.818 117.435 115.700 -0.138 0.000 2.549 645 S HA 0.013 4.481 4.470 -0.004 0.000 0.283 645 S C -0.160 174.541 174.600 0.168 0.000 1.320 645 S CA 0.112 58.323 58.200 0.018 0.000 1.058 645 S CB 0.079 63.288 63.200 0.015 0.000 0.882 645 S HN 0.631 nan 8.310 nan 0.000 0.498 646 D N -0.072 120.438 120.400 0.183 0.000 2.981 646 D HA -0.136 4.501 4.640 -0.004 0.000 0.223 646 D C -0.918 175.584 176.300 0.335 0.000 1.151 646 D CA 0.963 55.093 54.000 0.217 0.000 0.827 646 D CB -0.987 39.914 40.800 0.169 0.000 1.101 646 D HN 0.490 nan 8.370 nan 0.000 0.426 647 W N 0.021 121.323 121.300 0.003 0.000 2.655 647 W HA 0.736 5.394 4.660 -0.004 0.000 0.358 647 W C 0.563 177.093 176.519 0.018 0.000 1.100 647 W CA -0.415 56.923 57.345 -0.011 0.000 1.195 647 W CB 0.761 30.206 29.460 -0.026 0.000 1.403 647 W HN -0.172 nan 8.180 nan 0.000 0.589 648 L N 2.483 123.829 121.223 0.204 0.000 2.359 648 L HA 0.506 4.844 4.340 -0.004 0.000 0.256 648 L C -0.721 176.263 176.870 0.190 0.000 1.026 648 L CA -1.346 53.606 54.840 0.187 0.000 0.828 648 L CB 1.759 43.911 42.059 0.155 0.000 1.406 648 L HN -0.005 nan 8.230 nan 0.000 0.413 649 I N 1.341 122.045 120.570 0.223 0.000 2.353 649 I HA 0.307 4.474 4.170 -0.004 0.000 0.293 649 I C -0.717 175.569 176.117 0.282 0.000 0.992 649 I CA -0.028 61.395 61.300 0.205 0.000 1.268 649 I CB 1.129 39.242 38.000 0.187 0.000 1.387 649 I HN 0.347 nan 8.210 nan 0.000 0.478 650 F N 5.545 125.543 119.950 0.081 0.000 2.493 650 F HA 0.722 5.247 4.527 -0.004 0.000 0.329 650 F C -0.450 175.404 175.800 0.090 0.000 1.126 650 F CA -0.495 57.575 58.000 0.116 0.000 0.937 650 F CB 1.507 40.514 39.000 0.012 0.000 1.146 650 F HN 0.501 nan 8.300 nan 0.000 0.442 651 A N 4.725 127.398 122.820 -0.245 0.000 2.330 651 A HA 0.900 5.218 4.320 -0.004 0.000 0.313 651 A C -1.442 176.014 177.584 -0.213 0.000 1.124 651 A CA -0.330 51.657 52.037 -0.085 0.000 0.774 651 A CB 0.959 20.014 19.000 0.091 0.000 1.198 651 A HN 1.178 nan 8.150 nan 0.000 0.465 652 A N 3.021 125.813 122.820 -0.047 0.000 2.343 652 A HA 0.788 5.106 4.320 -0.004 0.000 0.316 652 A C -1.031 176.528 177.584 -0.042 0.000 1.104 652 A CA -0.477 51.541 52.037 -0.032 0.000 0.768 652 A CB 0.961 20.001 19.000 0.067 0.000 1.213 652 A HN 0.920 nan 8.150 nan 0.000 0.456 653 D N 1.262 121.630 120.400 -0.053 0.000 2.671 653 D HA 0.388 5.025 4.640 -0.004 0.000 0.232 653 D C -1.328 174.934 176.300 -0.062 0.000 1.114 653 D CA -0.317 53.663 54.000 -0.032 0.000 0.858 653 D CB 0.964 41.800 40.800 0.060 0.000 1.544 653 D HN 0.417 nan 8.370 nan 0.000 0.471 654 Y N 0.409 120.730 120.300 0.035 0.000 2.359 654 Y HA 0.186 4.734 4.550 -0.004 0.000 0.330 654 Y C 1.370 177.276 175.900 0.009 0.000 1.143 654 Y CA 0.032 58.138 58.100 0.010 0.000 1.318 654 Y CB 1.347 39.799 38.460 -0.013 0.000 1.234 654 Y HN 0.301 nan 8.280 nan 0.000 0.522 655 S N 4.295 120.096 115.700 0.167 0.000 2.430 655 S HA 0.107 4.575 4.470 -0.004 0.000 0.289 655 S C -0.346 174.289 174.600 0.058 0.000 1.143 655 S CA -0.699 57.563 58.200 0.103 0.000 1.067 655 S CB 0.026 63.278 63.200 0.086 0.000 0.964 655 S HN 0.728 nan 8.310 nan 0.000 0.485 656 Q N 2.797 122.629 119.800 0.054 0.000 2.451 656 Q HA -0.222 4.116 4.340 -0.004 0.000 0.305 656 Q C 0.662 176.578 176.000 -0.140 0.000 1.345 656 Q CA 0.746 56.547 55.803 -0.003 0.000 0.854 656 Q CB -2.175 26.610 28.738 0.078 0.000 1.162 656 Q HN 0.916 nan 8.270 nan 0.000 0.440 657 I N -0.716 119.789 120.570 -0.109 0.000 2.286 657 I HA -0.278 3.890 4.170 -0.004 0.000 0.248 657 I C 2.049 178.029 176.117 -0.228 0.000 1.115 657 I CA 1.562 62.727 61.300 -0.226 0.000 1.392 657 I CB 0.225 38.040 38.000 -0.309 0.000 1.065 657 I HN 0.351 nan 8.210 nan 0.000 0.418 658 E N 0.495 120.603 120.200 -0.153 0.000 2.051 658 E HA -0.226 4.122 4.350 -0.004 0.000 0.192 658 E C 2.248 178.774 176.600 -0.122 0.000 0.991 658 E CA 1.385 57.708 56.400 -0.128 0.000 0.799 658 E CB -0.134 29.504 29.700 -0.103 0.000 0.748 658 E HN 0.523 nan 8.360 nan 0.000 0.449 659 L N 0.394 121.558 121.223 -0.099 0.000 2.217 659 L HA -0.122 4.216 4.340 -0.004 0.000 0.211 659 L C 2.487 179.280 176.870 -0.129 0.000 1.107 659 L CA 0.829 55.667 54.840 -0.004 0.000 0.783 659 L CB -0.185 42.003 42.059 0.216 0.000 0.919 659 L HN 0.044 nan 8.230 nan 0.000 0.442 660 R N -0.857 119.339 120.500 -0.506 0.000 2.090 660 R HA -0.093 4.245 4.340 -0.004 0.000 0.228 660 R C 2.247 178.386 176.300 -0.269 0.000 1.110 660 R CA 0.899 56.599 56.100 -0.667 0.000 0.973 660 R CB -0.322 29.523 30.300 -0.758 0.000 0.869 660 R HN 0.144 nan 8.270 nan 0.000 0.440 661 V N 1.377 121.158 119.914 -0.221 0.000 2.358 661 V HA -0.214 3.903 4.120 -0.004 0.000 0.246 661 V C 2.137 178.178 176.094 -0.087 0.000 1.047 661 V CA 1.407 63.621 62.300 -0.144 0.000 1.035 661 V CB -0.368 31.362 31.823 -0.155 0.000 0.658 661 V HN 0.240 nan 8.190 nan 0.000 0.452 662 L N 0.974 122.137 121.223 -0.100 0.000 2.046 662 L HA -0.076 4.262 4.340 -0.004 0.000 0.208 662 L C 2.445 179.264 176.870 -0.085 0.000 1.077 662 L CA 2.389 57.157 54.840 -0.120 0.000 0.747 662 L CB -1.015 41.012 42.059 -0.054 0.000 0.896 662 L HN 0.219 nan 8.230 nan 0.000 0.432 663 A N -1.220 121.609 122.820 0.016 0.000 1.908 663 A HA -0.323 3.995 4.320 -0.004 0.000 0.218 663 A C 2.291 179.895 177.584 0.033 0.000 1.181 663 A CA 1.942 54.029 52.037 0.084 0.000 0.627 663 A CB -1.092 18.041 19.000 0.222 0.000 0.818 663 A HN 0.753 nan 8.150 nan 0.000 0.445 664 H N 0.722 119.748 119.070 -0.073 0.000 2.293 664 H HA -0.098 4.456 4.556 -0.004 0.000 0.300 664 H C 1.879 177.144 175.328 -0.105 0.000 1.082 664 H CA 2.233 58.234 56.048 -0.079 0.000 1.308 664 H CB -0.322 29.381 29.762 -0.099 0.000 1.375 664 H HN 0.533 nan 8.280 nan 0.000 0.495 665 I N -1.701 118.773 120.570 -0.161 0.000 2.394 665 I HA 0.008 4.176 4.170 -0.004 0.000 0.251 665 I C 2.312 178.218 176.117 -0.351 0.000 1.136 665 I CA 1.521 62.653 61.300 -0.281 0.000 1.425 665 I CB -0.498 37.316 38.000 -0.312 0.000 1.079 665 I HN 0.314 nan 8.210 nan 0.000 0.425 666 A N 0.443 123.044 122.820 -0.366 0.000 2.132 666 A HA 0.026 4.344 4.320 -0.004 0.000 0.213 666 A C 1.216 178.775 177.584 -0.041 0.000 1.154 666 A CA 0.410 52.339 52.037 -0.181 0.000 0.753 666 A CB -0.506 18.427 19.000 -0.111 0.000 0.826 666 A HN 0.604 nan 8.150 nan 0.000 0.469 667 E N 0.501 120.653 120.200 -0.080 0.000 2.360 667 E HA -0.186 4.162 4.350 -0.004 0.000 0.238 667 E C -0.659 175.953 176.600 0.020 0.000 1.186 667 E CA 0.626 57.000 56.400 -0.043 0.000 0.719 667 E CB -1.264 28.403 29.700 -0.056 0.000 1.236 667 E HN 0.710 nan 8.360 nan 0.000 0.386 668 D N 0.499 120.933 120.400 0.058 0.000 2.325 668 D HA 0.003 4.641 4.640 -0.004 0.000 0.251 668 D C 0.725 177.083 176.300 0.097 0.000 1.196 668 D CA -0.272 53.792 54.000 0.107 0.000 0.866 668 D CB 0.793 41.706 40.800 0.189 0.000 1.101 668 D HN 0.014 nan 8.370 nan 0.000 0.476 669 D N 3.234 123.670 120.400 0.060 0.000 2.123 669 D HA -0.204 4.434 4.640 -0.004 0.000 0.196 669 D C 1.503 177.826 176.300 0.038 0.000 0.992 669 D CA 1.009 55.031 54.000 0.037 0.000 0.833 669 D CB 0.028 40.833 40.800 0.008 0.000 0.954 669 D HN 0.475 nan 8.370 nan 0.000 0.455 670 N N 0.058 118.772 118.700 0.024 0.000 2.106 670 N HA -0.112 4.626 4.740 -0.004 0.000 0.188 670 N C 1.658 177.246 175.510 0.130 0.000 1.029 670 N CA 0.495 53.535 53.050 -0.017 0.000 0.848 670 N CB -0.342 37.989 38.487 -0.259 0.000 1.007 670 N HN 0.056 nan 8.380 nan 0.000 0.423 671 L N 0.440 121.845 121.223 0.302 0.000 2.056 671 L HA 0.066 4.404 4.340 -0.004 0.000 0.207 671 L C 2.166 179.138 176.870 0.171 0.000 1.078 671 L CA 1.452 56.447 54.840 0.257 0.000 0.749 671 L CB -0.517 41.673 42.059 0.218 0.000 0.901 671 L HN 0.268 nan 8.230 nan 0.000 0.433 672 M N -1.148 118.555 119.600 0.171 0.000 2.117 672 M HA -0.200 4.278 4.480 -0.004 0.000 0.262 672 M C 2.151 178.528 176.300 0.128 0.000 1.065 672 M CA 1.810 57.215 55.300 0.174 0.000 1.114 672 M CB -0.387 32.281 32.600 0.115 0.000 1.361 672 M HN 0.232 nan 8.290 nan 0.000 0.408 673 E N 0.921 121.164 120.200 0.071 0.000 2.110 673 E HA -0.141 4.207 4.350 -0.004 0.000 0.193 673 E C 1.815 178.421 176.600 0.010 0.000 0.988 673 E CA 1.816 58.237 56.400 0.036 0.000 0.804 673 E CB -0.155 29.550 29.700 0.008 0.000 0.745 673 E HN 0.392 nan 8.360 nan 0.000 0.458 674 A N -0.238 122.558 122.820 -0.039 0.000 1.883 674 A HA -0.146 4.171 4.320 -0.004 0.000 0.217 674 A C 2.153 179.623 177.584 -0.191 0.000 1.186 674 A CA 1.578 53.518 52.037 -0.160 0.000 0.624 674 A CB -1.014 17.817 19.000 -0.282 0.000 0.822 674 A HN 0.416 nan 8.150 nan 0.000 0.444 675 F N -0.717 119.248 119.950 0.025 0.000 2.325 675 F HA -0.022 4.503 4.527 -0.003 0.000 0.299 675 F C 2.543 178.352 175.800 0.015 0.000 1.090 675 F CA 0.900 58.908 58.000 0.013 0.000 1.392 675 F CB -0.051 38.954 39.000 0.009 0.000 1.053 675 F HN 0.089 nan 8.300 nan 0.000 0.521 676 R N 0.119 120.722 120.500 0.172 0.000 2.148 676 R HA -0.052 4.286 4.340 -0.004 0.000 0.227 676 R C 1.670 178.014 176.300 0.072 0.000 1.103 676 R CA 0.868 57.033 56.100 0.108 0.000 0.983 676 R CB -0.165 30.182 30.300 0.078 0.000 0.874 676 R HN 0.244 nan 8.270 nan 0.000 0.451 677 R N 0.257 120.787 120.500 0.050 0.000 2.317 677 R HA -0.004 4.333 4.340 -0.004 0.000 0.208 677 R C -0.170 176.149 176.300 0.032 0.000 0.914 677 R CA 0.089 56.205 56.100 0.026 0.000 1.060 677 R CB 0.158 30.457 30.300 -0.001 0.000 1.015 677 R HN 0.036 nan 8.270 nan 0.000 0.498 678 D N 1.220 121.661 120.400 0.068 0.000 2.689 678 D HA -0.174 4.464 4.640 -0.004 0.000 0.237 678 D C -0.709 175.611 176.300 0.034 0.000 1.148 678 D CA 0.567 54.621 54.000 0.090 0.000 0.656 678 D CB -0.946 39.901 40.800 0.080 0.000 1.050 678 D HN 0.200 nan 8.370 nan 0.000 0.426 679 L N -0.044 121.161 121.223 -0.030 0.000 2.466 679 L HA 0.203 4.541 4.340 -0.004 0.000 0.257 679 L C 1.176 178.000 176.870 -0.077 0.000 1.189 679 L CA -0.433 54.369 54.840 -0.063 0.000 0.813 679 L CB 0.334 42.329 42.059 -0.106 0.000 1.118 679 L HN 0.107 nan 8.230 nan 0.000 0.471 680 D N 1.439 121.806 120.400 -0.056 0.000 2.342 680 D HA -0.017 4.621 4.640 -0.004 0.000 0.260 680 D C 0.763 176.992 176.300 -0.119 0.000 1.278 680 D CA -0.111 53.858 54.000 -0.052 0.000 0.910 680 D CB 0.937 41.733 40.800 -0.008 0.000 1.079 680 D HN 0.387 nan 8.370 nan 0.000 0.496 681 I N 5.254 125.690 120.570 -0.224 0.000 2.361 681 I HA -0.262 3.906 4.170 -0.004 0.000 0.251 681 I C 1.748 177.738 176.117 -0.213 0.000 1.133 681 I CA 1.504 62.612 61.300 -0.320 0.000 1.413 681 I CB -0.207 37.549 38.000 -0.407 0.000 1.073 681 I HN 0.497 nan 8.210 nan 0.000 0.424 682 H N -0.736 118.337 119.070 0.004 0.000 2.395 682 H HA 0.015 4.569 4.556 -0.004 0.000 0.299 682 H C 2.198 177.532 175.328 0.011 0.000 1.070 682 H CA 1.732 57.787 56.048 0.012 0.000 1.356 682 H CB -0.840 28.933 29.762 0.019 0.000 1.401 682 H HN 0.293 nan 8.280 nan 0.000 0.524 683 T N 1.125 115.740 114.554 0.102 0.000 2.777 683 T HA -0.117 4.230 4.350 -0.004 0.000 0.266 683 T C 2.111 176.836 174.700 0.042 0.000 1.040 683 T CA 1.567 63.707 62.100 0.067 0.000 1.141 683 T CB 0.119 69.011 68.868 0.040 0.000 0.868 683 T HN 0.174 nan 8.240 nan 0.000 0.444 684 K N 1.396 121.801 120.400 0.008 0.000 2.057 684 K HA -0.066 4.252 4.320 -0.004 0.000 0.207 684 K C 2.198 178.824 176.600 0.043 0.000 1.049 684 K CA 1.761 58.048 56.287 -0.000 0.000 0.931 684 K CB -0.995 31.477 32.500 -0.046 0.000 0.714 684 K HN 0.206 nan 8.250 nan 0.000 0.440 685 T N 0.451 115.052 114.554 0.078 0.000 2.788 685 T HA -0.083 4.265 4.350 -0.004 0.000 0.268 685 T C 1.808 176.508 174.700 -0.001 0.000 1.044 685 T CA 1.395 63.572 62.100 0.130 0.000 1.139 685 T CB -0.512 68.444 68.868 0.147 0.000 0.867 685 T HN 0.410 nan 8.240 nan 0.000 0.454 686 A N 1.441 124.269 122.820 0.013 0.000 1.877 686 A HA -0.063 4.255 4.320 -0.004 0.000 0.216 686 A C 2.336 179.947 177.584 0.045 0.000 1.186 686 A CA 1.557 53.613 52.037 0.031 0.000 0.620 686 A CB -0.709 18.419 19.000 0.212 0.000 0.822 686 A HN 0.454 nan 8.150 nan 0.000 0.443 687 M N -0.468 119.159 119.600 0.045 0.000 2.108 687 M HA -0.199 4.279 4.480 -0.004 0.000 0.261 687 M C 1.582 177.864 176.300 -0.030 0.000 1.066 687 M CA 1.895 57.211 55.300 0.027 0.000 1.107 687 M CB -0.592 32.010 32.600 0.004 0.000 1.356 687 M HN 0.329 nan 8.290 nan 0.000 0.406 688 D N 0.533 120.882 120.400 -0.085 0.000 2.091 688 D HA -0.088 4.550 4.640 -0.004 0.000 0.199 688 D C 1.883 178.071 176.300 -0.185 0.000 0.980 688 D CA 1.422 55.328 54.000 -0.157 0.000 0.831 688 D CB -0.433 40.219 40.800 -0.248 0.000 0.987 688 D HN 0.550 nan 8.370 nan 0.000 0.460 689 I N -2.704 117.698 120.570 -0.279 0.000 2.546 689 I HA -0.073 4.095 4.170 -0.004 0.000 0.255 689 I C 1.088 176.949 176.117 -0.426 0.000 1.163 689 I CA 1.087 62.139 61.300 -0.414 0.000 1.457 689 I CB -0.263 37.356 38.000 -0.636 0.000 1.092 689 I HN -0.231 nan 8.210 nan 0.000 0.434 690 F N 1.641 121.560 119.950 -0.052 0.000 2.695 690 F HA 0.310 4.835 4.527 -0.004 0.000 0.303 690 F C 0.633 176.419 175.800 -0.022 0.000 1.091 690 F CA -0.809 57.167 58.000 -0.040 0.000 1.300 690 F CB -0.580 38.384 39.000 -0.059 0.000 1.071 690 F HN 0.141 nan 8.300 nan 0.000 0.578 691 Q N 0.725 120.577 119.800 0.086 0.000 2.453 691 Q HA -0.123 4.214 4.340 -0.004 0.000 0.330 691 Q C -0.625 175.409 176.000 0.057 0.000 1.417 691 Q CA 0.490 56.320 55.803 0.045 0.000 0.902 691 Q CB -1.983 26.779 28.738 0.039 0.000 1.154 691 Q HN 0.322 nan 8.270 nan 0.000 0.395 692 V N -3.378 116.573 119.914 0.061 0.000 3.130 692 V HA 0.860 4.978 4.120 -0.004 0.000 0.310 692 V C 0.415 176.525 176.094 0.027 0.000 1.158 692 V CA -0.486 61.842 62.300 0.047 0.000 1.029 692 V CB 2.169 34.030 31.823 0.063 0.000 1.057 692 V HN 0.396 nan 8.190 nan 0.000 0.436 693 S N -0.208 115.502 115.700 0.016 0.000 2.624 693 S HA 0.289 4.757 4.470 -0.004 0.000 0.263 693 S C 0.934 175.541 174.600 0.011 0.000 1.287 693 S CA 0.589 58.793 58.200 0.007 0.000 0.990 693 S CB 1.046 64.248 63.200 0.002 0.000 0.950 693 S HN 1.062 nan 8.310 nan 0.000 0.561 694 E N 0.516 120.719 120.200 0.006 0.000 2.085 694 E HA -0.238 4.110 4.350 -0.004 0.000 0.194 694 E C 0.818 177.423 176.600 0.008 0.000 0.994 694 E CA 1.708 58.113 56.400 0.008 0.000 0.801 694 E CB -0.238 29.463 29.700 0.001 0.000 0.743 694 E HN 0.733 nan 8.360 nan 0.000 0.453 695 D N 0.207 120.609 120.400 0.004 0.000 2.310 695 D HA -0.113 4.525 4.640 -0.004 0.000 0.212 695 D C 1.035 177.335 176.300 0.001 0.000 0.965 695 D CA 0.782 54.783 54.000 0.001 0.000 0.879 695 D CB -0.004 40.795 40.800 -0.001 0.000 0.921 695 D HN 0.397 nan 8.370 nan 0.000 0.510 696 E N 0.129 120.332 120.200 0.004 0.000 2.479 696 E HA 0.058 4.406 4.350 -0.004 0.000 0.193 696 E C 0.109 176.710 176.600 0.002 0.000 1.049 696 E CA -0.111 56.290 56.400 0.001 0.000 0.870 696 E CB 1.000 30.703 29.700 0.006 0.000 0.944 696 E HN -0.022 nan 8.360 nan 0.000 0.492 697 V N 3.106 123.028 119.914 0.014 0.000 2.439 697 V HA 0.016 4.134 4.120 -0.004 0.000 0.271 697 V C 0.740 176.832 176.094 -0.002 0.000 1.040 697 V CA -0.083 62.230 62.300 0.022 0.000 1.002 697 V CB 0.537 32.388 31.823 0.046 0.000 1.000 697 V HN 0.216 nan 8.190 nan 0.000 0.477 698 T N 3.588 118.124 114.554 -0.029 0.000 2.874 698 T HA 0.359 4.707 4.350 -0.004 0.000 0.281 698 T C -1.710 172.970 174.700 -0.033 0.000 0.994 698 T CA -1.890 60.187 62.100 -0.039 0.000 1.015 698 T CB 1.561 70.389 68.868 -0.066 0.000 1.028 698 T HN 0.358 nan 8.240 nan 0.000 0.523 699 P HA -0.081 nan 4.420 nan 0.000 0.215 699 P C 1.443 178.721 177.300 -0.037 0.000 1.153 699 P CA 0.906 63.990 63.100 -0.027 0.000 0.853 699 P CB -0.024 31.660 31.700 -0.027 0.000 0.788 700 N N -1.277 117.391 118.700 -0.054 0.000 2.188 700 N HA -0.106 4.632 4.740 -0.004 0.000 0.184 700 N C 1.622 177.086 175.510 -0.076 0.000 1.018 700 N CA 1.283 54.295 53.050 -0.063 0.000 0.858 700 N CB -0.580 37.863 38.487 -0.072 0.000 0.989 700 N HN 0.034 nan 8.380 nan 0.000 0.426 701 M N -0.388 119.146 119.600 -0.110 0.000 2.117 701 M HA -0.112 4.366 4.480 -0.004 0.000 0.262 701 M C 2.284 178.643 176.300 0.098 0.000 1.065 701 M CA 1.248 56.483 55.300 -0.108 0.000 1.114 701 M CB -0.182 32.319 32.600 -0.164 0.000 1.361 701 M HN 0.124 nan 8.290 nan 0.000 0.408 702 R N 0.384 120.914 120.500 0.049 0.000 2.081 702 R HA -0.162 4.176 4.340 -0.004 0.000 0.235 702 R C 2.317 178.610 176.300 -0.011 0.000 1.131 702 R CA 1.594 57.727 56.100 0.054 0.000 0.960 702 R CB -0.205 30.119 30.300 0.040 0.000 0.856 702 R HN 0.270 nan 8.270 nan 0.000 0.436 703 R N 0.370 120.844 120.500 -0.043 0.000 2.091 703 R HA -0.161 4.177 4.340 -0.004 0.000 0.238 703 R C 2.101 178.338 176.300 -0.106 0.000 1.136 703 R CA 1.994 58.033 56.100 -0.101 0.000 0.959 703 R CB -0.075 30.178 30.300 -0.079 0.000 0.856 703 R HN 0.415 nan 8.270 nan 0.000 0.437 704 Q N -0.634 119.151 119.800 -0.026 0.000 2.172 704 Q HA -0.042 4.296 4.340 -0.004 0.000 0.200 704 Q C 2.068 178.042 176.000 -0.044 0.000 0.964 704 Q CA 1.169 56.976 55.803 0.006 0.000 0.855 704 Q CB 0.065 28.860 28.738 0.095 0.000 0.918 704 Q HN 0.423 nan 8.270 nan 0.000 0.444 705 A N 1.725 124.539 122.820 -0.010 0.000 1.930 705 A HA -0.194 4.124 4.320 -0.004 0.000 0.217 705 A C 2.033 179.576 177.584 -0.068 0.000 1.175 705 A CA 1.438 53.439 52.037 -0.060 0.000 0.627 705 A CB -0.335 18.674 19.000 0.014 0.000 0.815 705 A HN 0.201 nan 8.150 nan 0.000 0.443 706 K N -0.148 120.142 120.400 -0.183 0.000 2.097 706 K HA -0.068 4.250 4.320 -0.004 0.000 0.206 706 K C 2.080 178.433 176.600 -0.410 0.000 1.049 706 K CA 1.199 57.194 56.287 -0.488 0.000 0.933 706 K CB -0.316 31.697 32.500 -0.811 0.000 0.717 706 K HN 0.346 nan 8.250 nan 0.000 0.442 707 A N 0.600 123.214 122.820 -0.344 0.000 1.930 707 A HA -0.081 4.237 4.320 -0.004 0.000 0.217 707 A C 2.185 179.695 177.584 -0.124 0.000 1.175 707 A CA 1.432 53.298 52.037 -0.285 0.000 0.627 707 A CB -0.489 18.413 19.000 -0.163 0.000 0.815 707 A HN 0.174 nan 8.150 nan 0.000 0.443 708 V N 0.956 120.804 119.914 -0.109 0.000 2.343 708 V HA -0.245 3.873 4.120 -0.004 0.000 0.247 708 V C 2.284 178.252 176.094 -0.211 0.000 1.051 708 V CA 2.057 64.270 62.300 -0.144 0.000 1.036 708 V CB -0.920 30.802 31.823 -0.169 0.000 0.654 708 V HN 0.544 nan 8.190 nan 0.000 0.451 709 N N -0.106 118.535 118.700 -0.099 0.000 2.166 709 N HA -0.116 4.622 4.740 -0.004 0.000 0.186 709 N C 1.789 177.306 175.510 0.011 0.000 1.019 709 N CA 1.553 54.582 53.050 -0.035 0.000 0.856 709 N CB -0.432 38.183 38.487 0.213 0.000 0.993 709 N HN 0.522 nan 8.380 nan 0.000 0.426 710 F N 0.869 120.658 119.950 -0.268 0.000 2.134 710 F HA -0.100 4.425 4.527 -0.003 0.000 0.299 710 F C 2.561 178.033 175.800 -0.547 0.000 1.097 710 F CA 0.771 58.485 58.000 -0.477 0.000 1.264 710 F CB -0.374 38.364 39.000 -0.437 0.000 1.001 710 F HN 0.126 nan 8.300 nan 0.000 0.479 711 G N 0.440 109.191 108.800 -0.082 0.000 2.418 711 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.217 711 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.217 711 G C 1.576 176.442 174.900 -0.056 0.000 1.158 711 G CA 0.677 45.762 45.100 -0.025 0.000 0.771 711 G HN 0.175 nan 8.290 nan 0.000 0.545 712 I N 0.893 121.353 120.570 -0.183 0.000 2.226 712 I HA -0.114 4.054 4.170 -0.004 0.000 0.245 712 I C 2.909 179.002 176.117 -0.040 0.000 1.100 712 I CA 0.829 62.023 61.300 -0.176 0.000 1.374 712 I CB -0.972 36.775 38.000 -0.421 0.000 1.057 712 I HN 0.046 nan 8.210 nan 0.000 0.413 713 V N -0.199 119.655 119.914 -0.100 0.000 2.453 713 V HA -0.255 3.862 4.120 -0.004 0.000 0.247 713 V C 2.273 178.432 176.094 0.109 0.000 1.048 713 V CA 1.408 63.681 62.300 -0.045 0.000 1.049 713 V CB -0.755 30.966 31.823 -0.170 0.000 0.672 713 V HN 0.351 nan 8.190 nan 0.000 0.457 714 Y N 0.464 120.775 120.300 0.018 0.000 2.439 714 Y HA 0.281 4.829 4.550 -0.003 0.000 0.292 714 Y C 1.474 177.420 175.900 0.076 0.000 1.130 714 Y CA 0.195 58.322 58.100 0.045 0.000 1.254 714 Y CB 0.278 38.775 38.460 0.062 0.000 1.000 714 Y HN 0.439 nan 8.280 nan 0.000 0.554 715 G N 1.508 110.448 108.800 0.233 0.000 2.992 715 G HA2 -0.151 3.807 3.960 -0.004 0.000 0.677 715 G HA3 -0.151 3.807 3.960 -0.004 0.000 0.677 715 G C -0.975 174.035 174.900 0.183 0.000 1.191 715 G CA -0.939 44.273 45.100 0.187 0.000 1.178 715 G HN 0.102 nan 8.290 nan 0.000 0.506 716 I N 2.009 122.677 120.570 0.163 0.000 2.813 716 I HA 0.613 4.781 4.170 -0.004 0.000 0.287 716 I C 0.790 177.010 176.117 0.171 0.000 1.196 716 I CA 1.030 62.417 61.300 0.145 0.000 1.421 716 I CB 1.305 39.373 38.000 0.112 0.000 1.365 716 I HN 1.412 nan 8.210 nan 0.000 0.591 717 S N 3.278 119.074 115.700 0.160 0.000 2.542 717 S HA 0.342 4.810 4.470 -0.004 0.000 0.276 717 S C -0.031 174.670 174.600 0.169 0.000 1.148 717 S CA -0.330 57.981 58.200 0.185 0.000 0.886 717 S CB 1.124 64.446 63.200 0.203 0.000 1.109 717 S HN 0.635 nan 8.310 nan 0.000 0.458 718 D N 1.496 122.004 120.400 0.180 0.000 2.144 718 D HA -0.177 4.461 4.640 -0.004 0.000 0.199 718 D C 1.398 177.788 176.300 0.150 0.000 0.984 718 D CA 1.381 55.466 54.000 0.143 0.000 0.834 718 D CB -0.524 40.355 40.800 0.131 0.000 0.955 718 D HN 0.603 nan 8.370 nan 0.000 0.465 719 Y N 1.632 121.981 120.300 0.083 0.000 2.200 719 Y HA 0.017 4.564 4.550 -0.004 0.000 0.290 719 Y C 2.553 178.492 175.900 0.065 0.000 1.137 719 Y CA 1.941 60.081 58.100 0.067 0.000 1.163 719 Y CB -0.574 37.934 38.460 0.080 0.000 0.988 719 Y HN 0.026 nan 8.280 nan 0.000 0.518 720 G N 0.175 108.992 108.800 0.028 0.000 2.418 720 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.217 720 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.217 720 G C 1.559 176.428 174.900 -0.052 0.000 1.158 720 G CA 1.037 46.109 45.100 -0.047 0.000 0.771 720 G HN 0.442 nan 8.290 nan 0.000 0.545 721 L N 1.215 122.441 121.223 0.006 0.000 2.072 721 L HA 0.298 4.636 4.340 -0.004 0.000 0.205 721 L C 3.034 179.891 176.870 -0.022 0.000 1.079 721 L CA 1.923 56.774 54.840 0.019 0.000 0.752 721 L CB -0.703 41.390 42.059 0.058 0.000 0.906 721 L HN 0.215 nan 8.230 nan 0.000 0.436 722 A N -0.890 121.896 122.820 -0.057 0.000 1.908 722 A HA -0.300 4.018 4.320 -0.004 0.000 0.218 722 A C 2.326 179.836 177.584 -0.123 0.000 1.181 722 A CA 1.925 53.915 52.037 -0.079 0.000 0.627 722 A CB -0.729 18.237 19.000 -0.057 0.000 0.818 722 A HN 0.667 nan 8.150 nan 0.000 0.445 723 Q N -0.279 119.376 119.800 -0.241 0.000 2.079 723 Q HA -0.196 4.141 4.340 -0.004 0.000 0.200 723 Q C 2.126 178.057 176.000 -0.114 0.000 0.974 723 Q CA 1.607 57.263 55.803 -0.246 0.000 0.840 723 Q CB -0.267 28.202 28.738 -0.449 0.000 0.898 723 Q HN 0.761 nan 8.270 nan 0.000 0.430 724 N N 0.153 118.806 118.700 -0.078 0.000 2.188 724 N HA -0.117 4.621 4.740 -0.004 0.000 0.184 724 N C 1.523 177.022 175.510 -0.019 0.000 1.018 724 N CA 0.916 53.950 53.050 -0.027 0.000 0.858 724 N CB 0.035 38.525 38.487 0.005 0.000 0.989 724 N HN 0.330 nan 8.380 nan 0.000 0.426 725 L N 0.540 121.758 121.223 -0.008 0.000 2.592 725 L HA 0.146 4.484 4.340 -0.004 0.000 0.227 725 L C -0.189 176.686 176.870 0.008 0.000 1.127 725 L CA -0.028 54.822 54.840 0.017 0.000 0.884 725 L CB -0.182 41.924 42.059 0.078 0.000 1.065 725 L HN 0.100 nan 8.230 nan 0.000 0.457 726 N N 1.785 120.477 118.700 -0.014 0.000 2.727 726 N HA -0.179 4.559 4.740 -0.004 0.000 0.251 726 N C -0.480 175.024 175.510 -0.011 0.000 1.040 726 N CA 1.239 54.282 53.050 -0.011 0.000 0.712 726 N CB -1.456 37.033 38.487 0.003 0.000 0.912 726 N HN 0.531 nan 8.380 nan 0.000 0.545 727 I N -4.045 116.508 120.570 -0.028 0.000 3.343 727 I HA 0.621 4.789 4.170 -0.004 0.000 0.315 727 I C 0.660 176.748 176.117 -0.050 0.000 1.153 727 I CA -1.124 60.149 61.300 -0.045 0.000 0.952 727 I CB 1.869 39.819 38.000 -0.083 0.000 1.287 727 I HN 0.047 nan 8.210 nan 0.000 0.472 728 S N 0.947 116.612 115.700 -0.059 0.000 2.603 728 S HA 0.382 4.850 4.470 -0.004 0.000 0.268 728 S C 0.802 175.378 174.600 -0.041 0.000 1.317 728 S CA -0.497 57.682 58.200 -0.036 0.000 1.012 728 S CB 1.455 64.635 63.200 -0.033 0.000 0.926 728 S HN 0.777 nan 8.310 nan 0.000 0.539 729 R N 0.952 121.456 120.500 0.007 0.000 2.096 729 R HA -0.094 4.244 4.340 -0.004 0.000 0.235 729 R C 2.355 178.655 176.300 -0.000 0.000 1.127 729 R CA 1.736 57.855 56.100 0.031 0.000 0.968 729 R CB -0.371 29.978 30.300 0.081 0.000 0.861 729 R HN 0.807 nan 8.270 nan 0.000 0.440 730 K N 1.269 121.661 120.400 -0.013 0.000 2.057 730 K HA -0.196 4.121 4.320 -0.004 0.000 0.207 730 K C 1.685 178.242 176.600 -0.071 0.000 1.049 730 K CA 1.679 57.953 56.287 -0.021 0.000 0.931 730 K CB 0.098 32.589 32.500 -0.016 0.000 0.714 730 K HN 0.204 nan 8.250 nan 0.000 0.440 731 E N -0.063 120.057 120.200 -0.134 0.000 2.077 731 E HA -0.181 4.167 4.350 -0.004 0.000 0.193 731 E C 1.990 178.318 176.600 -0.452 0.000 0.989 731 E CA 1.063 57.289 56.400 -0.290 0.000 0.800 731 E CB -0.125 29.385 29.700 -0.317 0.000 0.746 731 E HN 0.438 nan 8.360 nan 0.000 0.452 732 A N 1.490 124.137 122.820 -0.288 0.000 1.933 732 A HA -0.112 4.206 4.320 -0.004 0.000 0.218 732 A C 2.393 179.958 177.584 -0.033 0.000 1.175 732 A CA 1.621 53.549 52.037 -0.181 0.000 0.628 732 A CB -0.612 18.358 19.000 -0.051 0.000 0.814 732 A HN 0.292 nan 8.150 nan 0.000 0.444 733 A N -0.081 122.735 122.820 -0.005 0.000 1.933 733 A HA -0.180 4.138 4.320 -0.004 0.000 0.218 733 A C 1.896 179.533 177.584 0.090 0.000 1.175 733 A CA 1.656 53.733 52.037 0.066 0.000 0.628 733 A CB -0.493 18.545 19.000 0.064 0.000 0.814 733 A HN 0.662 nan 8.150 nan 0.000 0.444 734 E N -0.849 119.378 120.200 0.045 0.000 2.072 734 E HA -0.112 4.236 4.350 -0.004 0.000 0.191 734 E C 1.760 178.514 176.600 0.256 0.000 0.985 734 E CA 0.981 57.449 56.400 0.113 0.000 0.801 734 E CB -0.323 29.418 29.700 0.068 0.000 0.750 734 E HN 0.791 nan 8.360 nan 0.000 0.452 735 F N 0.826 120.811 119.950 0.059 0.000 2.134 735 F HA -0.191 4.333 4.527 -0.004 0.000 0.299 735 F C 2.344 178.142 175.800 -0.003 0.000 1.097 735 F CA 0.370 58.385 58.000 0.026 0.000 1.264 735 F CB -0.113 38.905 39.000 0.029 0.000 1.001 735 F HN 0.003 nan 8.300 nan 0.000 0.479 736 I N 0.150 120.840 120.570 0.200 0.000 2.252 736 I HA -0.282 3.886 4.170 -0.004 0.000 0.245 736 I C 2.426 178.603 176.117 0.100 0.000 1.102 736 I CA 1.385 62.710 61.300 0.042 0.000 1.385 736 I CB -0.515 37.531 38.000 0.076 0.000 1.064 736 I HN 0.170 nan 8.210 nan 0.000 0.414 737 E N 1.098 121.417 120.200 0.198 0.000 2.077 737 E HA -0.242 4.106 4.350 -0.004 0.000 0.193 737 E C 2.382 179.098 176.600 0.192 0.000 0.989 737 E CA 1.035 57.578 56.400 0.238 0.000 0.800 737 E CB 0.118 29.927 29.700 0.183 0.000 0.746 737 E HN 0.236 nan 8.360 nan 0.000 0.452 738 R N -0.239 120.348 120.500 0.145 0.000 2.096 738 R HA -0.156 4.182 4.340 -0.004 0.000 0.235 738 R C 2.191 178.519 176.300 0.047 0.000 1.127 738 R CA 1.310 57.456 56.100 0.078 0.000 0.968 738 R CB -0.991 29.338 30.300 0.047 0.000 0.861 738 R HN 0.418 nan 8.270 nan 0.000 0.440 739 Y N 0.286 120.548 120.300 -0.063 0.000 2.145 739 Y HA -0.218 4.330 4.550 -0.004 0.000 0.286 739 Y C 1.853 177.798 175.900 0.076 0.000 1.145 739 Y CA 1.562 59.629 58.100 -0.055 0.000 1.148 739 Y CB -0.348 37.954 38.460 -0.263 0.000 0.981 739 Y HN -0.130 nan 8.280 nan 0.000 0.507 740 F N 0.794 120.924 119.950 0.300 0.000 2.365 740 F HA -0.087 4.437 4.527 -0.004 0.000 0.300 740 F C 2.443 178.275 175.800 0.052 0.000 1.090 740 F CA 1.458 59.581 58.000 0.204 0.000 1.408 740 F CB -0.778 38.352 39.000 0.218 0.000 1.060 740 F HN 0.250 nan 8.300 nan 0.000 0.534 741 E N -0.406 119.894 120.200 0.167 0.000 2.152 741 E HA -0.124 4.223 4.350 -0.004 0.000 0.192 741 E C 2.005 178.552 176.600 -0.087 0.000 0.983 741 E CA 1.242 57.671 56.400 0.048 0.000 0.818 741 E CB 0.034 29.753 29.700 0.031 0.000 0.758 741 E HN 0.213 nan 8.360 nan 0.000 0.467 742 S N -0.554 115.014 115.700 -0.221 0.000 2.458 742 S HA 0.080 4.548 4.470 -0.004 0.000 0.223 742 S C 0.027 174.115 174.600 -0.853 0.000 1.019 742 S CA 0.247 58.120 58.200 -0.546 0.000 0.937 742 S CB 0.174 62.951 63.200 -0.704 0.000 0.788 742 S HN 0.193 nan 8.310 nan 0.000 0.511 743 F N 1.682 121.480 119.950 -0.253 0.000 2.523 743 F HA 0.346 4.871 4.527 -0.004 0.000 0.322 743 F C -1.882 173.944 175.800 0.043 0.000 1.361 743 F CA -2.058 55.840 58.000 -0.171 0.000 1.151 743 F CB 1.252 40.022 39.000 -0.383 0.000 1.391 743 F HN -0.010 nan 8.300 nan 0.000 0.566 744 P HA -0.126 nan 4.420 nan 0.000 0.220 744 P C 1.658 179.041 177.300 0.138 0.000 1.148 744 P CA 1.336 64.512 63.100 0.127 0.000 0.803 744 P CB 0.341 32.070 31.700 0.048 0.000 0.782 745 G N 0.327 109.218 108.800 0.152 0.000 2.403 745 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.216 745 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.216 745 G C 1.694 176.721 174.900 0.211 0.000 1.154 745 G CA 0.438 45.626 45.100 0.146 0.000 0.784 745 G HN 0.167 nan 8.290 nan 0.000 0.538 746 V N 0.782 120.874 119.914 0.296 0.000 2.427 746 V HA -0.126 3.992 4.120 -0.004 0.000 0.248 746 V C 2.652 178.974 176.094 0.379 0.000 1.051 746 V CA 2.127 64.657 62.300 0.383 0.000 1.048 746 V CB -0.320 31.801 31.823 0.496 0.000 0.666 746 V HN 0.413 nan 8.190 nan 0.000 0.456 747 K N 0.484 121.061 120.400 0.294 0.000 2.026 747 K HA -0.245 4.073 4.320 -0.004 0.000 0.208 747 K C 2.419 178.951 176.600 -0.113 0.000 1.048 747 K CA 1.900 58.084 56.287 -0.171 0.000 0.929 747 K CB -0.202 32.157 32.500 -0.235 0.000 0.713 747 K HN 0.326 nan 8.250 nan 0.000 0.439 748 R N -0.435 120.071 120.500 0.010 0.000 2.091 748 R HA -0.218 4.119 4.340 -0.004 0.000 0.238 748 R C 2.331 178.646 176.300 0.025 0.000 1.136 748 R CA 1.775 57.878 56.100 0.006 0.000 0.959 748 R CB -0.515 29.810 30.300 0.041 0.000 0.856 748 R HN 0.339 nan 8.270 nan 0.000 0.437 749 Y N 0.721 121.024 120.300 0.005 0.000 2.145 749 Y HA -0.224 4.324 4.550 -0.004 0.000 0.286 749 Y C 2.104 178.007 175.900 0.005 0.000 1.145 749 Y CA 1.845 59.954 58.100 0.014 0.000 1.148 749 Y CB -0.084 38.404 38.460 0.048 0.000 0.981 749 Y HN 0.039 nan 8.280 nan 0.000 0.507 750 M N 0.227 119.788 119.600 -0.065 0.000 2.159 750 M HA -0.185 4.293 4.480 -0.004 0.000 0.263 750 M C 1.952 178.135 176.300 -0.195 0.000 1.063 750 M CA 1.647 56.868 55.300 -0.131 0.000 1.110 750 M CB -1.130 31.489 32.600 0.032 0.000 1.374 750 M HN 0.400 nan 8.290 nan 0.000 0.411 751 E N 0.272 120.366 120.200 -0.177 0.000 2.047 751 E HA -0.146 4.202 4.350 -0.004 0.000 0.191 751 E C 1.799 178.303 176.600 -0.159 0.000 0.987 751 E CA 1.190 57.501 56.400 -0.149 0.000 0.799 751 E CB -0.216 29.407 29.700 -0.128 0.000 0.752 751 E HN 0.643 nan 8.360 nan 0.000 0.449 752 N N 0.487 119.076 118.700 -0.184 0.000 2.188 752 N HA -0.140 4.597 4.740 -0.004 0.000 0.184 752 N C 1.897 177.262 175.510 -0.241 0.000 1.018 752 N CA 0.436 53.378 53.050 -0.179 0.000 0.858 752 N CB -0.015 38.389 38.487 -0.138 0.000 0.989 752 N HN 0.036 nan 8.380 nan 0.000 0.426 753 I N 0.738 121.066 120.570 -0.404 0.000 2.394 753 I HA -0.147 4.021 4.170 -0.004 0.000 0.251 753 I C 1.811 177.792 176.117 -0.226 0.000 1.136 753 I CA 0.858 61.929 61.300 -0.382 0.000 1.425 753 I CB -0.023 37.602 38.000 -0.626 0.000 1.079 753 I HN -0.086 nan 8.210 nan 0.000 0.425 754 V N 0.169 119.969 119.914 -0.191 0.000 2.358 754 V HA -0.289 3.829 4.120 -0.004 0.000 0.246 754 V C 2.430 178.458 176.094 -0.110 0.000 1.047 754 V CA 2.070 64.296 62.300 -0.124 0.000 1.035 754 V CB -0.712 31.054 31.823 -0.095 0.000 0.658 754 V HN 0.550 nan 8.190 nan 0.000 0.452 755 Q N -0.046 119.686 119.800 -0.114 0.000 2.124 755 Q HA -0.270 4.068 4.340 -0.004 0.000 0.202 755 Q C 2.293 178.229 176.000 -0.105 0.000 0.977 755 Q CA 2.104 57.851 55.803 -0.094 0.000 0.850 755 Q CB -0.116 28.571 28.738 -0.085 0.000 0.901 755 Q HN 0.759 nan 8.270 nan 0.000 0.429 756 E N -0.488 119.633 120.200 -0.131 0.000 2.072 756 E HA -0.192 4.156 4.350 -0.004 0.000 0.191 756 E C 1.795 178.286 176.600 -0.183 0.000 0.985 756 E CA 0.924 57.233 56.400 -0.152 0.000 0.801 756 E CB -0.136 29.468 29.700 -0.159 0.000 0.750 756 E HN 0.474 nan 8.360 nan 0.000 0.452 757 A N 1.522 124.246 122.820 -0.161 0.000 1.933 757 A HA -0.220 4.098 4.320 -0.004 0.000 0.218 757 A C 2.099 179.616 177.584 -0.112 0.000 1.175 757 A CA 1.746 53.693 52.037 -0.149 0.000 0.628 757 A CB -0.447 18.491 19.000 -0.103 0.000 0.814 757 A HN 0.210 nan 8.150 nan 0.000 0.444 758 K N -0.822 119.524 120.400 -0.090 0.000 2.062 758 K HA -0.159 4.159 4.320 -0.004 0.000 0.205 758 K C 2.319 178.882 176.600 -0.061 0.000 1.051 758 K CA 1.312 57.564 56.287 -0.059 0.000 0.941 758 K CB -0.194 32.277 32.500 -0.048 0.000 0.719 758 K HN 0.517 nan 8.250 nan 0.000 0.440 759 Q N 1.124 120.873 119.800 -0.084 0.000 2.046 759 Q HA -0.163 4.175 4.340 -0.004 0.000 0.200 759 Q C 1.495 177.439 176.000 -0.093 0.000 0.975 759 Q CA 1.727 57.483 55.803 -0.078 0.000 0.836 759 Q CB 0.142 28.830 28.738 -0.084 0.000 0.896 759 Q HN 0.293 nan 8.270 nan 0.000 0.428 760 K N -1.634 118.657 120.400 -0.182 0.000 2.262 760 K HA 0.073 4.391 4.320 -0.004 0.000 0.200 760 K C 1.122 177.633 176.600 -0.149 0.000 1.049 760 K CA 0.661 56.788 56.287 -0.267 0.000 0.979 760 K CB 0.411 32.508 32.500 -0.670 0.000 0.773 760 K HN 0.451 nan 8.250 nan 0.000 0.474 761 G N 0.940 109.675 108.800 -0.108 0.000 2.176 761 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.232 761 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.232 761 G C -0.204 174.816 174.900 0.200 0.000 0.986 761 G CA 0.489 45.653 45.100 0.106 0.000 0.643 761 G HN 0.382 nan 8.290 nan 0.000 0.522 762 Y N -2.167 118.109 120.300 -0.040 0.000 2.713 762 Y HA 0.727 5.275 4.550 -0.003 0.000 0.335 762 Y C -0.369 175.444 175.900 -0.145 0.000 1.222 762 Y CA -1.258 56.735 58.100 -0.179 0.000 1.061 762 Y CB 0.824 38.963 38.460 -0.535 0.000 1.314 762 Y HN 1.001 nan 8.280 nan 0.000 0.453 763 V N -0.783 119.151 119.914 0.033 0.000 2.960 763 V HA 1.006 5.124 4.120 -0.004 0.000 0.315 763 V C -0.419 175.742 176.094 0.112 0.000 1.087 763 V CA -0.221 62.082 62.300 0.005 0.000 0.982 763 V CB 1.317 33.128 31.823 -0.019 0.000 1.039 763 V HN 1.384 nan 8.190 nan 0.000 0.437 764 T N -0.801 113.812 114.554 0.097 0.000 2.901 764 T HA 0.813 5.161 4.350 -0.004 0.000 0.293 764 T C -0.013 174.722 174.700 0.058 0.000 1.084 764 T CA 0.003 62.161 62.100 0.097 0.000 1.008 764 T CB 1.712 70.681 68.868 0.168 0.000 1.170 764 T HN 1.458 nan 8.240 nan 0.000 0.509 765 T N -0.593 113.975 114.554 0.023 0.000 2.922 765 T HA 0.485 4.833 4.350 -0.004 0.000 0.281 765 T C 1.261 175.921 174.700 -0.067 0.000 1.005 765 T CA -0.788 61.303 62.100 -0.014 0.000 0.982 765 T CB 0.890 69.736 68.868 -0.036 0.000 1.158 765 T HN 0.522 nan 8.240 nan 0.000 0.566 766 L N 0.082 121.249 121.223 -0.093 0.000 2.043 766 L HA 0.098 4.435 4.340 -0.004 0.000 0.212 766 L C 1.745 178.420 176.870 -0.326 0.000 1.075 766 L CA 1.779 56.527 54.840 -0.153 0.000 0.752 766 L CB -0.795 41.183 42.059 -0.134 0.000 0.891 766 L HN 0.695 nan 8.230 nan 0.000 0.432 767 L N -0.642 120.412 121.223 -0.282 0.000 2.728 767 L HA 0.155 4.493 4.340 -0.004 0.000 0.235 767 L C 0.098 176.789 176.870 -0.297 0.000 1.197 767 L CA -0.187 54.450 54.840 -0.338 0.000 0.992 767 L CB -0.527 41.447 42.059 -0.141 0.000 1.263 767 L HN 0.414 nan 8.230 nan 0.000 0.484 768 H N -1.395 117.671 119.070 -0.007 0.000 3.049 768 H HA -0.154 4.400 4.556 -0.003 0.000 0.250 768 H C 0.872 176.174 175.328 -0.043 0.000 1.219 768 H CA 0.373 56.413 56.048 -0.013 0.000 1.117 768 H CB -1.243 28.513 29.762 -0.010 0.000 1.251 768 H HN 0.439 nan 8.280 nan 0.000 0.338 769 R N 1.068 121.574 120.500 0.010 0.000 2.641 769 R HA 0.414 4.752 4.340 -0.004 0.000 0.269 769 R C 0.610 176.870 176.300 -0.066 0.000 1.074 769 R CA -0.190 55.882 56.100 -0.046 0.000 1.133 769 R CB 0.943 31.206 30.300 -0.061 0.000 1.029 769 R HN 0.318 nan 8.270 nan 0.000 0.488 770 R N 1.988 122.401 120.500 -0.145 0.000 2.744 770 R HA 0.397 4.735 4.340 -0.004 0.000 0.279 770 R C -1.424 174.733 176.300 -0.239 0.000 0.977 770 R CA -0.808 55.162 56.100 -0.217 0.000 0.906 770 R CB 1.533 31.579 30.300 -0.423 0.000 1.197 770 R HN 0.646 nan 8.270 nan 0.000 0.463 771 R N 3.441 123.809 120.500 -0.221 0.000 2.510 771 R HA 0.237 4.575 4.340 -0.004 0.000 0.294 771 R C -1.625 174.589 176.300 -0.143 0.000 1.056 771 R CA -0.526 55.486 56.100 -0.147 0.000 0.918 771 R CB 0.938 31.197 30.300 -0.069 0.000 1.187 771 R HN 0.574 nan 8.270 nan 0.000 0.437 772 Y N 4.082 124.403 120.300 0.036 0.000 2.346 772 Y HA 0.245 4.794 4.550 -0.003 0.000 0.330 772 Y C 0.487 176.402 175.900 0.025 0.000 1.178 772 Y CA -0.189 57.954 58.100 0.072 0.000 1.331 772 Y CB 1.070 39.554 38.460 0.039 0.000 1.253 772 Y HN 0.388 nan 8.280 nan 0.000 0.529 773 L N 6.112 127.435 121.223 0.166 0.000 2.529 773 L HA 0.241 4.579 4.340 -0.004 0.000 0.246 773 L C -1.747 175.158 176.870 0.057 0.000 1.394 773 L CA -1.375 53.501 54.840 0.060 0.000 0.906 773 L CB 1.081 43.140 42.059 -0.001 0.000 1.170 773 L HN 0.516 nan 8.230 nan 0.000 0.501 774 P HA -0.158 nan 4.420 nan 0.000 0.219 774 P C 0.480 177.793 177.300 0.022 0.000 1.146 774 P CA 1.113 64.241 63.100 0.046 0.000 0.808 774 P CB 0.451 32.174 31.700 0.038 0.000 0.779 775 D N -0.504 119.902 120.400 0.010 0.000 2.371 775 D HA -0.049 4.589 4.640 -0.004 0.000 0.221 775 D C 1.687 177.984 176.300 -0.005 0.000 0.986 775 D CA 0.224 54.227 54.000 0.004 0.000 0.899 775 D CB -0.748 40.053 40.800 0.002 0.000 0.902 775 D HN 0.162 nan 8.370 nan 0.000 0.530 776 I N 0.653 121.216 120.570 -0.011 0.000 2.700 776 I HA -0.180 3.988 4.170 -0.004 0.000 0.261 776 I C 1.696 177.803 176.117 -0.016 0.000 1.219 776 I CA 1.192 62.480 61.300 -0.022 0.000 1.463 776 I CB -0.062 37.923 38.000 -0.026 0.000 1.092 776 I HN -0.029 nan 8.210 nan 0.000 0.452 777 T N -3.401 111.151 114.554 -0.004 0.000 3.092 777 T HA 0.214 4.562 4.350 -0.004 0.000 0.258 777 T C 0.891 175.596 174.700 0.008 0.000 1.031 777 T CA 0.053 62.154 62.100 0.001 0.000 0.925 777 T CB -0.448 68.423 68.868 0.005 0.000 1.036 777 T HN 0.193 nan 8.240 nan 0.000 0.544 778 S N 0.934 116.639 115.700 0.008 0.000 2.568 778 S HA 0.253 4.721 4.470 -0.004 0.000 0.282 778 S C 0.955 175.570 174.600 0.025 0.000 1.338 778 S CA -0.541 57.670 58.200 0.018 0.000 1.045 778 S CB 0.579 63.792 63.200 0.021 0.000 0.873 778 S HN 0.362 nan 8.310 nan 0.000 0.516 779 R N 2.356 122.876 120.500 0.034 0.000 2.356 779 R HA 0.271 4.608 4.340 -0.004 0.000 0.234 779 R C 0.211 176.551 176.300 0.067 0.000 0.929 779 R CA -0.004 56.124 56.100 0.046 0.000 1.084 779 R CB -0.210 30.113 30.300 0.039 0.000 1.105 779 R HN 0.519 nan 8.270 nan 0.000 0.515 780 N N 0.381 119.120 118.700 0.065 0.000 2.437 780 N HA -0.033 4.704 4.740 -0.004 0.000 0.259 780 N C 0.322 175.898 175.510 0.111 0.000 0.983 780 N CA -0.132 52.971 53.050 0.089 0.000 0.937 780 N CB 0.521 39.049 38.487 0.067 0.000 1.122 780 N HN -0.003 nan 8.380 nan 0.000 0.499 781 F N 5.376 125.337 119.950 0.018 0.000 2.091 781 F HA -0.255 4.270 4.527 -0.003 0.000 0.299 781 F C 1.648 177.466 175.800 0.030 0.000 1.103 781 F CA 1.728 59.740 58.000 0.020 0.000 1.228 781 F CB 0.074 39.078 39.000 0.007 0.000 0.984 781 F HN 0.527 nan 8.300 nan 0.000 0.477 782 N N 0.319 119.102 118.700 0.138 0.000 2.142 782 N HA -0.145 4.593 4.740 -0.004 0.000 0.186 782 N C 2.055 177.565 175.510 -0.000 0.000 1.023 782 N CA 1.730 54.802 53.050 0.037 0.000 0.852 782 N CB -0.761 37.779 38.487 0.088 0.000 0.998 782 N HN 0.261 nan 8.380 nan 0.000 0.424 783 V N 1.485 121.423 119.914 0.039 0.000 2.295 783 V HA -0.176 3.942 4.120 -0.004 0.000 0.246 783 V C 2.564 178.684 176.094 0.043 0.000 1.049 783 V CA 1.488 63.834 62.300 0.077 0.000 1.024 783 V CB -0.441 31.422 31.823 0.066 0.000 0.648 783 V HN 0.283 nan 8.190 nan 0.000 0.447 784 R N 0.030 120.510 120.500 -0.033 0.000 2.081 784 R HA -0.143 4.195 4.340 -0.004 0.000 0.235 784 R C 2.474 178.708 176.300 -0.110 0.000 1.131 784 R CA 1.823 57.882 56.100 -0.069 0.000 0.960 784 R CB -0.283 29.963 30.300 -0.089 0.000 0.856 784 R HN 0.501 nan 8.270 nan 0.000 0.436 785 S N 0.455 116.012 115.700 -0.238 0.000 2.382 785 S HA -0.136 4.332 4.470 -0.004 0.000 0.228 785 S C 1.414 176.032 174.600 0.030 0.000 1.027 785 S CA 1.029 59.089 58.200 -0.233 0.000 0.991 785 S CB -0.380 62.525 63.200 -0.491 0.000 0.823 785 S HN 0.332 nan 8.310 nan 0.000 0.469 786 F N 2.694 122.582 119.950 -0.103 0.000 2.134 786 F HA 0.006 4.531 4.527 -0.003 0.000 0.299 786 F C 2.385 178.167 175.800 -0.030 0.000 1.097 786 F CA 0.571 58.547 58.000 -0.041 0.000 1.264 786 F CB -1.179 37.808 39.000 -0.021 0.000 1.001 786 F HN 0.182 nan 8.300 nan 0.000 0.479 787 A N -0.042 122.782 122.820 0.006 0.000 1.933 787 A HA -0.184 4.134 4.320 -0.004 0.000 0.218 787 A C 2.159 179.707 177.584 -0.061 0.000 1.175 787 A CA 1.658 53.634 52.037 -0.102 0.000 0.628 787 A CB -0.793 18.169 19.000 -0.064 0.000 0.814 787 A HN 0.510 nan 8.150 nan 0.000 0.444 788 E N -0.477 119.706 120.200 -0.027 0.000 2.077 788 E HA -0.171 4.177 4.350 -0.004 0.000 0.193 788 E C 2.303 178.911 176.600 0.012 0.000 0.989 788 E CA 1.023 57.409 56.400 -0.023 0.000 0.800 788 E CB -0.162 29.518 29.700 -0.033 0.000 0.746 788 E HN 0.527 nan 8.360 nan 0.000 0.452 789 R N 0.103 120.641 120.500 0.062 0.000 2.115 789 R HA -0.043 4.295 4.340 -0.004 0.000 0.230 789 R C 2.324 178.664 176.300 0.067 0.000 1.111 789 R CA 1.136 57.301 56.100 0.108 0.000 0.976 789 R CB -0.163 30.257 30.300 0.200 0.000 0.870 789 R HN 0.225 nan 8.270 nan 0.000 0.445 790 M N -0.117 119.476 119.600 -0.012 0.000 2.175 790 M HA -0.084 4.393 4.480 -0.004 0.000 0.264 790 M C 2.466 178.749 176.300 -0.028 0.000 1.063 790 M CA 1.526 56.787 55.300 -0.065 0.000 1.119 790 M CB -0.213 32.271 32.600 -0.194 0.000 1.377 790 M HN 0.208 nan 8.290 nan 0.000 0.415 791 A N 0.256 123.057 122.820 -0.031 0.000 1.930 791 A HA -0.131 4.186 4.320 -0.004 0.000 0.217 791 A C 2.111 179.693 177.584 -0.003 0.000 1.175 791 A CA 1.447 53.464 52.037 -0.033 0.000 0.627 791 A CB -0.508 18.456 19.000 -0.060 0.000 0.815 791 A HN 0.455 nan 8.150 nan 0.000 0.443 792 M N -0.853 118.763 119.600 0.027 0.000 2.193 792 M HA -0.076 4.401 4.480 -0.004 0.000 0.265 792 M C 2.200 178.584 176.300 0.140 0.000 1.071 792 M CA 1.434 56.786 55.300 0.087 0.000 1.140 792 M CB -0.380 32.283 32.600 0.105 0.000 1.369 792 M HN 0.622 nan 8.290 nan 0.000 0.423 793 N N -0.197 118.568 118.700 0.108 0.000 2.251 793 N HA -0.099 4.639 4.740 -0.004 0.000 0.181 793 N C 1.364 176.919 175.510 0.075 0.000 1.019 793 N CA 1.491 54.606 53.050 0.109 0.000 0.862 793 N CB 0.110 38.670 38.487 0.121 0.000 0.992 793 N HN 0.187 nan 8.380 nan 0.000 0.429 794 T N 1.701 116.283 114.554 0.047 0.000 2.699 794 T HA -0.061 4.287 4.350 -0.004 0.000 0.268 794 T C -1.002 173.719 174.700 0.035 0.000 1.036 794 T CA 1.284 63.399 62.100 0.026 0.000 1.147 794 T CB -1.047 67.821 68.868 0.000 0.000 0.862 794 T HN 0.387 nan 8.240 nan 0.000 0.446 795 P HA 0.072 nan 4.420 nan 0.000 0.220 795 P C 1.233 178.557 177.300 0.041 0.000 1.148 795 P CA 0.790 63.934 63.100 0.074 0.000 0.803 795 P CB -0.114 31.684 31.700 0.164 0.000 0.782 796 I N -1.079 119.519 120.570 0.046 0.000 2.188 796 I HA -0.186 3.982 4.170 -0.004 0.000 0.237 796 I C 2.670 178.776 176.117 -0.018 0.000 1.073 796 I CA 1.206 62.508 61.300 0.002 0.000 1.359 796 I CB -0.697 37.314 38.000 0.018 0.000 1.083 796 I HN -0.090 nan 8.210 nan 0.000 0.412 797 Q N 1.109 120.911 119.800 0.003 0.000 2.084 797 Q HA -0.171 4.167 4.340 -0.004 0.000 0.202 797 Q C 2.170 178.162 176.000 -0.013 0.000 0.978 797 Q CA 1.964 57.763 55.803 -0.006 0.000 0.844 797 Q CB -0.251 28.493 28.738 0.009 0.000 0.898 797 Q HN 0.571 nan 8.270 nan 0.000 0.426 798 G N -0.488 108.308 108.800 -0.007 0.000 2.408 798 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.217 798 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.217 798 G C 1.460 176.342 174.900 -0.031 0.000 1.150 798 G CA 0.813 45.907 45.100 -0.011 0.000 0.776 798 G HN 0.331 nan 8.290 nan 0.000 0.542 799 S N 0.928 116.601 115.700 -0.045 0.000 2.383 799 S HA 0.058 4.526 4.470 -0.004 0.000 0.227 799 S C 2.735 177.269 174.600 -0.109 0.000 1.026 799 S CA 1.002 59.156 58.200 -0.077 0.000 0.981 799 S CB -0.236 62.916 63.200 -0.080 0.000 0.818 799 S HN 0.555 nan 8.310 nan 0.000 0.472 800 A N 1.424 124.179 122.820 -0.108 0.000 1.969 800 A HA 0.172 4.489 4.320 -0.004 0.000 0.218 800 A C 2.292 179.817 177.584 -0.098 0.000 1.169 800 A CA 1.532 53.480 52.037 -0.148 0.000 0.635 800 A CB -0.856 18.068 19.000 -0.127 0.000 0.810 800 A HN 0.497 nan 8.150 nan 0.000 0.445 801 A N 0.153 122.949 122.820 -0.040 0.000 1.898 801 A HA -0.137 4.180 4.320 -0.004 0.000 0.216 801 A C 1.761 179.339 177.584 -0.010 0.000 1.181 801 A CA 1.756 53.796 52.037 0.006 0.000 0.620 801 A CB -0.530 18.492 19.000 0.037 0.000 0.819 801 A HN 0.431 nan 8.150 nan 0.000 0.442 802 D N 0.271 120.650 120.400 -0.035 0.000 2.104 802 D HA -0.150 4.488 4.640 -0.004 0.000 0.194 802 D C 1.846 178.113 176.300 -0.055 0.000 0.994 802 D CA 1.340 55.315 54.000 -0.043 0.000 0.830 802 D CB -0.399 40.360 40.800 -0.069 0.000 0.959 802 D HN 0.527 nan 8.370 nan 0.000 0.452 803 I N 0.616 121.129 120.570 -0.095 0.000 2.179 803 I HA -0.220 3.948 4.170 -0.004 0.000 0.242 803 I C 2.549 178.647 176.117 -0.032 0.000 1.088 803 I CA 0.742 61.974 61.300 -0.112 0.000 1.357 803 I CB -0.126 37.728 38.000 -0.244 0.000 1.051 803 I HN -0.036 nan 8.210 nan 0.000 0.409 804 I N 0.661 121.228 120.570 -0.005 0.000 2.493 804 I HA -0.263 3.904 4.170 -0.004 0.000 0.254 804 I C 2.402 178.557 176.117 0.063 0.000 1.160 804 I CA 1.434 62.811 61.300 0.128 0.000 1.445 804 I CB -0.094 38.017 38.000 0.185 0.000 1.086 804 I HN 0.139 nan 8.210 nan 0.000 0.433 805 K N 0.547 120.959 120.400 0.021 0.000 2.057 805 K HA -0.232 4.086 4.320 -0.004 0.000 0.206 805 K C 2.156 178.755 176.600 -0.001 0.000 1.050 805 K CA 1.407 57.695 56.287 0.002 0.000 0.935 805 K CB -0.124 32.376 32.500 0.001 0.000 0.715 805 K HN 0.221 nan 8.250 nan 0.000 0.439 806 K N 0.871 121.271 120.400 -0.001 0.000 2.097 806 K HA -0.099 4.219 4.320 -0.004 0.000 0.205 806 K C 2.054 178.659 176.600 0.008 0.000 1.050 806 K CA 1.103 57.388 56.287 -0.004 0.000 0.938 806 K CB -0.050 32.441 32.500 -0.015 0.000 0.718 806 K HN 0.114 nan 8.250 nan 0.000 0.442 807 A N 1.122 123.964 122.820 0.036 0.000 1.902 807 A HA -0.180 4.138 4.320 -0.004 0.000 0.217 807 A C 2.099 179.691 177.584 0.013 0.000 1.181 807 A CA 1.729 53.795 52.037 0.048 0.000 0.623 807 A CB -0.471 18.604 19.000 0.124 0.000 0.818 807 A HN 0.348 nan 8.150 nan 0.000 0.443 808 M N -0.774 118.830 119.600 0.007 0.000 2.117 808 M HA -0.100 4.378 4.480 -0.004 0.000 0.262 808 M C 2.062 178.350 176.300 -0.022 0.000 1.065 808 M CA 1.556 56.846 55.300 -0.016 0.000 1.114 808 M CB -0.501 32.079 32.600 -0.034 0.000 1.361 808 M HN 0.400 nan 8.290 nan 0.000 0.408 809 I N 0.075 120.634 120.570 -0.019 0.000 2.202 809 I HA -0.290 3.878 4.170 -0.004 0.000 0.242 809 I C 1.841 177.945 176.117 -0.021 0.000 1.091 809 I CA 1.127 62.414 61.300 -0.021 0.000 1.368 809 I CB -0.576 37.413 38.000 -0.019 0.000 1.058 809 I HN 0.243 nan 8.210 nan 0.000 0.410 810 D N 0.715 121.104 120.400 -0.018 0.000 2.117 810 D HA -0.169 4.469 4.640 -0.004 0.000 0.197 810 D C 2.004 178.286 176.300 -0.031 0.000 0.987 810 D CA 1.083 55.070 54.000 -0.022 0.000 0.829 810 D CB -0.331 40.459 40.800 -0.016 0.000 0.961 810 D HN 0.172 nan 8.370 nan 0.000 0.460 811 L N 1.188 122.392 121.223 -0.032 0.000 2.017 811 L HA -0.136 4.202 4.340 -0.004 0.000 0.208 811 L C 1.551 178.394 176.870 -0.046 0.000 1.073 811 L CA 1.741 56.553 54.840 -0.046 0.000 0.745 811 L CB -0.778 41.253 42.059 -0.046 0.000 0.894 811 L HN -0.144 nan 8.230 nan 0.000 0.432 812 N N -0.087 118.593 118.700 -0.034 0.000 2.223 812 N HA -0.106 4.632 4.740 -0.004 0.000 0.185 812 N C 1.790 177.281 175.510 -0.031 0.000 1.016 812 N CA 1.394 54.427 53.050 -0.028 0.000 0.863 812 N CB -0.387 38.089 38.487 -0.019 0.000 0.983 812 N HN 0.559 nan 8.380 nan 0.000 0.429 813 A N 0.728 123.528 122.820 -0.032 0.000 1.930 813 A HA -0.069 4.249 4.320 -0.004 0.000 0.217 813 A C 2.142 179.703 177.584 -0.039 0.000 1.175 813 A CA 1.018 53.035 52.037 -0.033 0.000 0.627 813 A CB -0.164 18.818 19.000 -0.030 0.000 0.815 813 A HN 0.095 nan 8.150 nan 0.000 0.443 814 R N -0.348 120.123 120.500 -0.047 0.000 2.090 814 R HA 0.040 4.378 4.340 -0.004 0.000 0.228 814 R C 2.035 178.294 176.300 -0.067 0.000 1.110 814 R CA 0.985 57.050 56.100 -0.058 0.000 0.973 814 R CB -0.899 29.360 30.300 -0.068 0.000 0.869 814 R HN 0.577 nan 8.270 nan 0.000 0.440 815 L N 0.663 121.845 121.223 -0.069 0.000 2.083 815 L HA -0.144 4.194 4.340 -0.004 0.000 0.209 815 L C 2.663 179.500 176.870 -0.056 0.000 1.083 815 L CA 1.331 56.126 54.840 -0.075 0.000 0.752 815 L CB -0.375 41.644 42.059 -0.067 0.000 0.899 815 L HN 0.158 nan 8.230 nan 0.000 0.433 816 K N 0.465 120.840 120.400 -0.041 0.000 2.062 816 K HA -0.163 4.155 4.320 -0.004 0.000 0.205 816 K C 1.909 178.487 176.600 -0.036 0.000 1.051 816 K CA 1.199 57.466 56.287 -0.032 0.000 0.941 816 K CB 0.088 32.572 32.500 -0.026 0.000 0.719 816 K HN 0.307 nan 8.250 nan 0.000 0.440 817 E N 0.331 120.506 120.200 -0.041 0.000 2.118 817 E HA -0.171 4.177 4.350 -0.004 0.000 0.195 817 E C 1.544 178.117 176.600 -0.046 0.000 0.992 817 E CA 0.965 57.340 56.400 -0.040 0.000 0.804 817 E CB 0.102 29.777 29.700 -0.041 0.000 0.741 817 E HN 0.305 nan 8.360 nan 0.000 0.458 818 E N 0.340 120.506 120.200 -0.057 0.000 2.478 818 E HA 0.010 4.358 4.350 -0.004 0.000 0.194 818 E C 0.011 176.573 176.600 -0.064 0.000 1.045 818 E CA 0.061 56.422 56.400 -0.066 0.000 0.868 818 E CB 0.193 29.841 29.700 -0.086 0.000 0.885 818 E HN 0.054 nan 8.360 nan 0.000 0.505 819 R N 0.032 120.500 120.500 -0.053 0.000 3.416 819 R HA -0.172 4.166 4.340 -0.004 0.000 0.263 819 R C -0.377 175.888 176.300 -0.059 0.000 1.053 819 R CA 0.253 56.326 56.100 -0.044 0.000 0.705 819 R CB -2.548 27.731 30.300 -0.035 0.000 1.124 819 R HN 0.150 nan 8.270 nan 0.000 0.444 820 L N 0.111 121.285 121.223 -0.081 0.000 2.418 820 L HA 0.104 4.442 4.340 -0.004 0.000 0.265 820 L C 1.778 178.589 176.870 -0.097 0.000 1.143 820 L CA -0.123 54.644 54.840 -0.121 0.000 0.809 820 L CB 0.809 42.768 42.059 -0.166 0.000 1.124 820 L HN 0.289 nan 8.230 nan 0.000 0.456 821 Q N 1.653 121.367 119.800 -0.143 0.000 2.432 821 Q HA 0.123 4.461 4.340 -0.004 0.000 0.205 821 Q C 0.557 176.476 176.000 -0.135 0.000 0.945 821 Q CA 0.011 55.771 55.803 -0.071 0.000 0.924 821 Q CB 0.246 28.931 28.738 -0.087 0.000 1.016 821 Q HN 0.767 nan 8.270 nan 0.000 0.503 822 A N 2.448 125.089 122.820 -0.299 0.000 2.531 822 A HA 0.072 4.390 4.320 -0.004 0.000 0.236 822 A C -0.141 177.359 177.584 -0.140 0.000 1.062 822 A CA 0.238 52.064 52.037 -0.351 0.000 0.760 822 A CB -0.114 18.673 19.000 -0.354 0.000 0.995 822 A HN 0.408 nan 8.150 nan 0.000 0.501 823 H N 0.106 119.175 119.070 -0.002 0.000 3.016 823 H HA 0.532 5.086 4.556 -0.003 0.000 0.362 823 H C -1.449 173.893 175.328 0.025 0.000 1.233 823 H CA -1.138 54.924 56.048 0.022 0.000 1.124 823 H CB 0.655 30.460 29.762 0.072 0.000 1.850 823 H HN 0.487 nan 8.280 nan 0.000 0.549 824 L N 1.838 123.177 121.223 0.194 0.000 2.426 824 L HA 0.050 4.388 4.340 -0.004 0.000 0.271 824 L C 1.011 177.984 176.870 0.173 0.000 1.169 824 L CA -0.170 54.740 54.840 0.117 0.000 0.836 824 L CB 0.637 42.724 42.059 0.047 0.000 1.112 824 L HN 0.564 nan 8.230 nan 0.000 0.465 825 L N 3.209 124.494 121.223 0.102 0.000 2.586 825 L HA 0.347 4.685 4.340 -0.004 0.000 0.204 825 L C -0.077 176.844 176.870 0.085 0.000 1.053 825 L CA 0.225 55.120 54.840 0.092 0.000 0.856 825 L CB 0.417 42.486 42.059 0.015 0.000 1.192 825 L HN 0.417 nan 8.230 nan 0.000 0.484 826 L N -0.735 120.494 121.223 0.011 0.000 2.479 826 L HA 0.474 4.812 4.340 -0.004 0.000 0.255 826 L C -1.111 175.742 176.870 -0.028 0.000 1.026 826 L CA -0.528 54.355 54.840 0.070 0.000 0.842 826 L CB 2.328 44.367 42.059 -0.032 0.000 1.444 826 L HN -0.091 nan 8.230 nan 0.000 0.409 827 Q N 1.308 121.076 119.800 -0.053 0.000 2.323 827 Q HA 0.510 4.848 4.340 -0.004 0.000 0.271 827 Q C -1.846 174.124 176.000 -0.050 0.000 1.048 827 Q CA -0.441 55.303 55.803 -0.098 0.000 0.792 827 Q CB 2.732 31.332 28.738 -0.230 0.000 1.280 827 Q HN 0.525 nan 8.270 nan 0.000 0.441 828 V N 6.276 126.162 119.914 -0.047 0.000 2.454 828 V HA 0.229 4.347 4.120 -0.004 0.000 0.255 828 V C 0.186 176.192 176.094 -0.146 0.000 1.009 828 V CA -0.335 61.868 62.300 -0.162 0.000 1.149 828 V CB -0.185 31.659 31.823 0.035 0.000 1.418 828 V HN 0.934 nan 8.190 nan 0.000 0.567 829 H N 1.843 120.980 119.070 0.112 0.000 4.988 829 H HA -0.216 4.338 4.556 -0.004 0.000 0.062 829 H C 1.250 176.641 175.328 0.104 0.000 0.573 829 H CA 2.281 58.386 56.048 0.095 0.000 0.989 829 H CB -0.912 28.906 29.762 0.093 0.000 0.461 829 H HN 0.832 nan 8.280 nan 0.000 0.781 830 D N 1.734 122.281 120.400 0.244 0.000 2.563 830 D HA 0.174 4.812 4.640 -0.004 0.000 0.237 830 D C 0.281 176.726 176.300 0.242 0.000 1.282 830 D CA 0.421 54.582 54.000 0.268 0.000 0.816 830 D CB 0.418 41.354 40.800 0.227 0.000 1.066 830 D HN 0.739 nan 8.370 nan 0.000 0.501 831 E N 0.090 120.380 120.200 0.151 0.000 2.367 831 E HA 0.607 4.954 4.350 -0.004 0.000 0.273 831 E C -1.161 175.472 176.600 0.055 0.000 0.903 831 E CA -1.089 55.365 56.400 0.089 0.000 0.764 831 E CB 2.125 31.891 29.700 0.110 0.000 1.252 831 E HN -0.052 nan 8.360 nan 0.000 0.446 832 L N 2.255 123.495 121.223 0.029 0.000 2.362 832 L HA 0.534 4.871 4.340 -0.004 0.000 0.275 832 L C -1.035 175.857 176.870 0.038 0.000 0.998 832 L CA -1.156 53.696 54.840 0.019 0.000 0.820 832 L CB 1.466 43.531 42.059 0.010 0.000 1.270 832 L HN 0.547 nan 8.230 nan 0.000 0.415 833 I N 3.959 124.527 120.570 -0.005 0.000 2.406 833 I HA 0.511 4.679 4.170 -0.004 0.000 0.290 833 I C -0.475 175.636 176.117 -0.011 0.000 0.999 833 I CA -0.052 61.223 61.300 -0.042 0.000 1.124 833 I CB 1.724 39.564 38.000 -0.266 0.000 1.289 833 I HN 0.293 nan 8.210 nan 0.000 0.441 834 L N 5.432 126.694 121.223 0.064 0.000 2.283 834 L HA 0.734 5.072 4.340 -0.004 0.000 0.259 834 L C -0.377 176.518 176.870 0.042 0.000 1.027 834 L CA -0.625 54.243 54.840 0.046 0.000 0.828 834 L CB 1.714 43.785 42.059 0.021 0.000 1.380 834 L HN 0.693 nan 8.230 nan 0.000 0.425 835 E N 0.295 120.478 120.200 -0.029 0.000 2.317 835 E HA 0.931 5.279 4.350 -0.004 0.000 0.270 835 E C -1.501 175.006 176.600 -0.154 0.000 0.885 835 E CA -1.128 55.291 56.400 0.032 0.000 0.760 835 E CB 2.612 32.415 29.700 0.171 0.000 1.227 835 E HN 0.713 nan 8.360 nan 0.000 0.434 836 A N 2.174 124.843 122.820 -0.250 0.000 2.601 836 A HA 0.612 4.930 4.320 -0.004 0.000 0.291 836 A C -2.972 173.936 177.584 -1.126 0.000 1.075 836 A CA -1.462 50.037 52.037 -0.897 0.000 0.671 836 A CB 1.203 19.826 19.000 -0.629 0.000 1.277 836 A HN 0.497 nan 8.150 nan 0.000 0.417 837 P HA 0.091 nan 4.420 nan 0.000 0.267 837 P C 0.510 177.502 177.300 -0.513 0.000 1.200 837 P CA 0.067 62.495 63.100 -1.119 0.000 0.772 837 P CB 0.554 31.776 31.700 -0.796 0.000 0.855 838 K N 2.055 122.296 120.400 -0.265 0.000 2.211 838 K HA -0.205 4.113 4.320 -0.004 0.000 0.204 838 K C 0.779 177.259 176.600 -0.200 0.000 1.047 838 K CA 1.741 57.925 56.287 -0.173 0.000 0.935 838 K CB -0.425 32.046 32.500 -0.049 0.000 0.728 838 K HN 0.256 nan 8.250 nan 0.000 0.452 839 E N 1.244 121.327 120.200 -0.195 0.000 2.472 839 E HA -0.079 4.269 4.350 -0.004 0.000 0.200 839 E C 0.902 177.375 176.600 -0.213 0.000 1.046 839 E CA 0.837 57.137 56.400 -0.168 0.000 0.871 839 E CB 0.150 29.771 29.700 -0.133 0.000 0.806 839 E HN 0.502 nan 8.360 nan 0.000 0.533 840 E N -0.646 119.377 120.200 -0.295 0.000 2.481 840 E HA 0.075 4.423 4.350 -0.004 0.000 0.198 840 E C 1.258 177.645 176.600 -0.354 0.000 1.027 840 E CA -0.175 56.034 56.400 -0.318 0.000 0.900 840 E CB 0.217 29.686 29.700 -0.385 0.000 0.993 840 E HN 0.196 nan 8.360 nan 0.000 0.482 841 M N 0.831 120.209 119.600 -0.370 0.000 2.080 841 M HA -0.184 4.294 4.480 -0.004 0.000 0.260 841 M C 1.837 177.948 176.300 -0.316 0.000 1.068 841 M CA 1.694 56.724 55.300 -0.451 0.000 1.109 841 M CB -0.866 31.311 32.600 -0.704 0.000 1.342 841 M HN 0.139 nan 8.290 nan 0.000 0.405 842 E N -0.443 119.631 120.200 -0.209 0.000 2.085 842 E HA -0.194 4.154 4.350 -0.004 0.000 0.194 842 E C 2.224 178.735 176.600 -0.149 0.000 0.994 842 E CA 0.971 57.303 56.400 -0.113 0.000 0.801 842 E CB -0.182 29.476 29.700 -0.069 0.000 0.743 842 E HN 0.491 nan 8.360 nan 0.000 0.453 843 R N 0.421 120.804 120.500 -0.195 0.000 2.092 843 R HA -0.068 4.270 4.340 -0.004 0.000 0.231 843 R C 2.511 178.639 176.300 -0.285 0.000 1.119 843 R CA 0.799 56.775 56.100 -0.207 0.000 0.970 843 R CB -0.269 29.911 30.300 -0.201 0.000 0.864 843 R HN 0.216 nan 8.270 nan 0.000 0.440 844 L N -0.196 120.778 121.223 -0.415 0.000 2.141 844 L HA -0.197 4.141 4.340 -0.004 0.000 0.209 844 L C 2.520 179.034 176.870 -0.593 0.000 1.094 844 L CA 0.784 55.230 54.840 -0.656 0.000 0.763 844 L CB -0.451 40.931 42.059 -1.128 0.000 0.908 844 L HN 0.302 nan 8.230 nan 0.000 0.437 845 C N -0.223 118.877 119.300 -0.332 0.000 2.410 845 C HA -0.143 4.315 4.460 -0.004 0.000 0.281 845 C C 2.892 177.637 174.990 -0.409 0.000 1.318 845 C CA 0.898 59.756 59.018 -0.267 0.000 1.776 845 C CB -1.007 26.760 27.740 0.044 0.000 1.942 845 C HN 0.446 nan 8.230 nan 0.000 0.508 846 R N -0.947 119.399 120.500 -0.256 0.000 2.123 846 R HA 0.102 4.440 4.340 -0.004 0.000 0.209 846 R C 2.022 178.207 176.300 -0.191 0.000 1.078 846 R CA 0.364 56.350 56.100 -0.190 0.000 1.028 846 R CB -0.417 29.812 30.300 -0.118 0.000 0.939 846 R HN 0.323 nan 8.270 nan 0.000 0.463 847 L N 0.839 121.932 121.223 -0.217 0.000 2.005 847 L HA -0.097 4.241 4.340 -0.004 0.000 0.207 847 L C 1.975 178.733 176.870 -0.185 0.000 1.072 847 L CA 1.642 56.368 54.840 -0.191 0.000 0.744 847 L CB -0.365 41.570 42.059 -0.208 0.000 0.895 847 L HN -0.111 nan 8.230 nan 0.000 0.433 848 V N 0.469 120.241 119.914 -0.237 0.000 2.255 848 V HA -0.193 3.925 4.120 -0.004 0.000 0.247 848 V C -0.057 175.969 176.094 -0.112 0.000 1.051 848 V CA 2.305 64.511 62.300 -0.156 0.000 1.018 848 V CB -1.979 29.784 31.823 -0.101 0.000 0.641 848 V HN 0.357 nan 8.190 nan 0.000 0.445 849 P HA -0.152 nan 4.420 nan 0.000 0.216 849 P C 1.641 178.896 177.300 -0.076 0.000 1.153 849 P CA 1.413 64.451 63.100 -0.104 0.000 0.848 849 P CB 0.080 31.711 31.700 -0.115 0.000 0.787 850 E N -0.173 119.979 120.200 -0.081 0.000 2.051 850 E HA -0.145 4.203 4.350 -0.004 0.000 0.192 850 E C 1.868 178.444 176.600 -0.040 0.000 0.991 850 E CA 1.283 57.652 56.400 -0.051 0.000 0.799 850 E CB -1.272 28.393 29.700 -0.060 0.000 0.748 850 E HN -0.095 nan 8.360 nan 0.000 0.449 851 V N 0.511 120.392 119.914 -0.056 0.000 2.343 851 V HA -0.287 3.831 4.120 -0.004 0.000 0.247 851 V C 2.450 178.537 176.094 -0.012 0.000 1.051 851 V CA 2.159 64.435 62.300 -0.039 0.000 1.036 851 V CB -0.482 31.308 31.823 -0.055 0.000 0.654 851 V HN 0.357 nan 8.190 nan 0.000 0.451 852 M N -0.780 118.799 119.600 -0.034 0.000 2.132 852 M HA -0.164 4.314 4.480 -0.004 0.000 0.263 852 M C 2.153 178.530 176.300 0.129 0.000 1.065 852 M CA 1.751 57.046 55.300 -0.008 0.000 1.122 852 M CB -0.422 32.012 32.600 -0.277 0.000 1.365 852 M HN 0.338 nan 8.290 nan 0.000 0.411 853 E N -0.199 120.039 120.200 0.063 0.000 2.208 853 E HA -0.141 4.207 4.350 -0.004 0.000 0.193 853 E C 1.632 178.270 176.600 0.064 0.000 0.988 853 E CA 0.653 57.115 56.400 0.103 0.000 0.828 853 E CB 0.128 29.859 29.700 0.051 0.000 0.763 853 E HN 0.432 nan 8.360 nan 0.000 0.478 854 Q N -0.631 119.190 119.800 0.034 0.000 2.280 854 Q HA 0.207 4.544 4.340 -0.004 0.000 0.201 854 Q C 1.638 177.642 176.000 0.006 0.000 0.890 854 Q CA 0.222 56.031 55.803 0.011 0.000 0.947 854 Q CB 0.796 29.533 28.738 -0.002 0.000 1.081 854 Q HN 0.193 nan 8.270 nan 0.000 0.502 855 A N 0.981 123.818 122.820 0.028 0.000 1.917 855 A HA -0.049 4.269 4.320 -0.004 0.000 0.219 855 A C 1.307 178.878 177.584 -0.022 0.000 1.182 855 A CA 1.798 53.843 52.037 0.014 0.000 0.633 855 A CB -0.138 18.891 19.000 0.050 0.000 0.819 855 A HN 0.234 nan 8.150 nan 0.000 0.448 856 V N -5.469 114.419 119.914 -0.043 0.000 3.159 856 V HA 0.720 4.838 4.120 -0.004 0.000 0.308 856 V C -0.700 175.343 176.094 -0.084 0.000 1.190 856 V CA -0.557 61.696 62.300 -0.079 0.000 1.037 856 V CB 1.681 33.425 31.823 -0.131 0.000 1.060 856 V HN 0.005 nan 8.190 nan 0.000 0.437 857 T N 3.822 118.323 114.554 -0.090 0.000 2.772 857 T HA 0.717 5.065 4.350 -0.004 0.000 0.288 857 T C -0.289 174.338 174.700 -0.122 0.000 0.994 857 T CA -0.196 61.860 62.100 -0.073 0.000 0.951 857 T CB 0.637 69.488 68.868 -0.030 0.000 0.933 857 T HN 0.633 nan 8.240 nan 0.000 0.447 858 L N 2.154 123.287 121.223 -0.149 0.000 2.347 858 L HA 0.566 4.903 4.340 -0.004 0.000 0.268 858 L C 1.706 178.622 176.870 0.078 0.000 1.019 858 L CA -1.204 53.505 54.840 -0.219 0.000 0.806 858 L CB 1.108 42.948 42.059 -0.365 0.000 1.339 858 L HN 0.504 nan 8.230 nan 0.000 0.463 859 R N -0.173 120.541 120.500 0.357 0.000 2.280 859 R HA 0.026 4.364 4.340 -0.004 0.000 0.207 859 R C -0.131 176.237 176.300 0.114 0.000 1.043 859 R CA 0.387 56.606 56.100 0.199 0.000 1.006 859 R CB -0.119 30.272 30.300 0.151 0.000 0.885 859 R HN 0.508 nan 8.270 nan 0.000 0.467 860 V N -2.766 117.201 119.914 0.087 0.000 3.001 860 V HA 0.588 4.706 4.120 -0.004 0.000 0.314 860 V C -2.798 173.299 176.094 0.006 0.000 1.099 860 V CA -3.215 59.121 62.300 0.059 0.000 0.989 860 V CB 2.174 34.040 31.823 0.071 0.000 1.040 860 V HN -0.206 nan 8.190 nan 0.000 0.434 861 P HA 0.473 nan 4.420 nan 0.000 0.274 861 P C -0.920 176.359 177.300 -0.035 0.000 1.246 861 P CA -0.326 62.776 63.100 0.004 0.000 0.795 861 P CB 0.500 32.221 31.700 0.034 0.000 1.006 862 L N 1.315 122.531 121.223 -0.012 0.000 2.325 862 L HA 0.517 4.855 4.340 -0.004 0.000 0.278 862 L C 0.447 177.358 176.870 0.068 0.000 1.023 862 L CA -0.634 54.212 54.840 0.010 0.000 0.811 862 L CB 1.419 43.513 42.059 0.058 0.000 1.249 862 L HN 0.295 nan 8.230 nan 0.000 0.431 863 K N 2.177 122.634 120.400 0.094 0.000 2.397 863 K HA 0.674 4.992 4.320 -0.004 0.000 0.253 863 K C -1.760 174.899 176.600 0.099 0.000 0.932 863 K CA -0.551 55.788 56.287 0.087 0.000 0.795 863 K CB 2.195 34.738 32.500 0.071 0.000 1.159 863 K HN 0.330 nan 8.250 nan 0.000 0.424 864 V N 3.749 123.692 119.914 0.049 0.000 2.531 864 V HA 0.300 4.418 4.120 -0.004 0.000 0.301 864 V C -0.773 175.354 176.094 0.055 0.000 1.034 864 V CA -0.921 61.369 62.300 -0.016 0.000 0.865 864 V CB 1.833 33.579 31.823 -0.128 0.000 0.995 864 V HN 0.839 nan 8.190 nan 0.000 0.424 865 D N 2.987 123.390 120.400 0.004 0.000 2.268 865 D HA 0.666 5.303 4.640 -0.004 0.000 0.249 865 D C -0.951 175.278 176.300 -0.119 0.000 1.008 865 D CA 0.139 54.077 54.000 -0.104 0.000 0.939 865 D CB 2.236 42.962 40.800 -0.124 0.000 1.170 865 D HN 0.600 nan 8.370 nan 0.000 0.468 866 Y N -2.351 117.646 120.300 -0.505 0.000 2.581 866 Y HA 0.597 5.145 4.550 -0.004 0.000 0.337 866 Y C -1.016 174.290 175.900 -0.991 0.000 1.108 866 Y CA -0.969 56.759 58.100 -0.621 0.000 1.033 866 Y CB 1.566 39.768 38.460 -0.429 0.000 1.318 866 Y HN 0.285 nan 8.280 nan 0.000 0.459 867 H N 0.822 119.718 119.070 -0.290 0.000 3.037 867 H HA 0.481 5.035 4.556 -0.004 0.000 0.355 867 H C -1.768 173.441 175.328 -0.198 0.000 1.263 867 H CA -0.937 54.957 56.048 -0.257 0.000 1.129 867 H CB 2.714 32.342 29.762 -0.222 0.000 1.861 867 H HN 0.885 nan 8.280 nan 0.000 0.546 868 Y N -1.366 118.947 120.300 0.021 0.000 2.597 868 Y HA 0.735 5.283 4.550 -0.004 0.000 0.340 868 Y C -0.414 175.548 175.900 0.104 0.000 1.097 868 Y CA -0.728 57.412 58.100 0.067 0.000 1.037 868 Y CB 1.641 40.214 38.460 0.188 0.000 1.305 868 Y HN 0.955 nan 8.280 nan 0.000 0.463 869 G N -0.076 108.936 108.800 0.353 0.000 2.430 869 G HA2 0.341 4.299 3.960 -0.004 0.000 0.300 869 G HA3 0.341 4.299 3.960 -0.004 0.000 0.300 869 G C -0.659 174.391 174.900 0.250 0.000 1.330 869 G CA -0.426 44.822 45.100 0.246 0.000 0.813 869 G HN 0.644 nan 8.290 nan 0.000 0.487 870 S N -0.733 115.089 115.700 0.203 0.000 2.481 870 S HA 0.179 4.647 4.470 -0.004 0.000 0.231 870 S C 1.194 175.912 174.600 0.197 0.000 0.996 870 S CA 1.591 59.903 58.200 0.185 0.000 0.942 870 S CB -0.295 62.993 63.200 0.147 0.000 0.768 870 S HN 1.327 nan 8.310 nan 0.000 0.520 871 T N -3.845 110.849 114.554 0.234 0.000 2.787 871 T HA 0.326 4.674 4.350 -0.004 0.000 0.297 871 T C -0.115 174.811 174.700 0.376 0.000 1.221 871 T CA -0.804 61.468 62.100 0.287 0.000 1.006 871 T CB 0.689 69.721 68.868 0.274 0.000 1.328 871 T HN 0.114 nan 8.240 nan 0.000 0.509 872 W N 0.407 121.830 121.300 0.205 0.000 2.374 872 W HA -0.060 4.598 4.660 -0.004 0.000 0.288 872 W C 1.874 178.473 176.519 0.134 0.000 1.218 872 W CA 0.843 58.281 57.345 0.154 0.000 1.245 872 W CB -1.084 28.462 29.460 0.144 0.000 1.126 872 W HN 0.894 nan 8.180 nan 0.000 0.545 873 Y N 1.499 121.910 120.300 0.186 0.000 2.181 873 Y HA -0.244 4.304 4.550 -0.004 0.000 0.288 873 Y C 2.076 177.984 175.900 0.014 0.000 1.146 873 Y CA 2.606 60.711 58.100 0.009 0.000 1.164 873 Y CB -0.560 37.911 38.460 0.018 0.000 0.982 873 Y HN -0.140 nan 8.280 nan 0.000 0.515 874 D N 0.190 120.697 120.400 0.178 0.000 2.347 874 D HA 0.036 4.674 4.640 -0.004 0.000 0.215 874 D C 0.864 177.160 176.300 -0.006 0.000 0.976 874 D CA 0.859 54.891 54.000 0.052 0.000 0.884 874 D CB -0.123 40.770 40.800 0.156 0.000 0.915 874 D HN 0.355 nan 8.370 nan 0.000 0.526 875 A N 1.879 124.745 122.820 0.077 0.000 3.029 875 A HA 0.125 4.443 4.320 -0.004 0.000 0.251 875 A C 0.630 178.195 177.584 -0.032 0.000 1.749 875 A CA -0.112 51.980 52.037 0.092 0.000 1.386 875 A CB -0.739 18.394 19.000 0.221 0.000 1.043 875 A HN 0.191 nan 8.150 nan 0.000 0.638 876 K N 0.000 120.261 120.400 -0.231 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.004 0.000 0.191 876 K CA 0.000 55.954 56.287 -0.555 0.000 0.838 876 K CB 0.000 32.215 32.500 -0.474 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543