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 3jta_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXX DATA SEQUENCE XTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRDY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVW 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 299 R HA 0.000 nan 4.340 nan 0.000 0.208 299 R C 0.000 176.626 176.300 0.543 0.000 0.893 299 R CA 0.000 56.267 56.100 0.278 0.000 0.921 299 R CB 0.000 30.391 30.300 0.152 0.000 0.687 300 F N 1.780 121.806 119.950 0.126 0.000 2.443 300 F HA 0.602 4.580 4.527 -0.914 0.000 0.335 300 F C -0.188 175.671 175.800 0.098 0.000 1.104 300 F CA -0.996 57.087 58.000 0.138 0.000 1.013 300 F CB 1.640 40.678 39.000 0.062 0.000 1.136 300 F HN -0.108 nan 8.300 nan 0.000 0.470 301 L N 2.886 124.244 121.223 0.226 0.000 2.381 301 L HA 0.519 4.311 4.340 -0.915 0.000 0.268 301 L C -0.768 176.158 176.870 0.095 0.000 0.997 301 L CA -1.018 53.882 54.840 0.100 0.000 0.818 301 L CB 2.485 44.512 42.059 -0.052 0.000 1.310 301 L HN 0.435 nan 8.230 nan 0.000 0.416 302 K N 1.590 122.027 120.400 0.061 0.000 2.130 302 K HA 0.664 4.435 4.320 -0.915 0.000 0.268 302 K C -0.913 175.690 176.600 0.005 0.000 0.983 302 K CA -0.572 55.728 56.287 0.022 0.000 0.893 302 K CB 2.001 34.504 32.500 0.006 0.000 1.066 302 K HN 0.387 nan 8.250 nan 0.000 0.450 303 V N -0.845 119.038 119.914 -0.052 0.000 2.735 303 V HA 0.609 4.180 4.120 -0.915 0.000 0.310 303 V C -0.857 175.163 176.094 -0.124 0.000 1.061 303 V CA -0.917 61.352 62.300 -0.052 0.000 0.913 303 V CB 1.643 33.444 31.823 -0.037 0.000 1.005 303 V HN 0.749 nan 8.190 nan 0.000 0.428 304 K N 3.164 123.496 120.400 -0.114 0.000 2.316 304 K HA 0.463 4.234 4.320 -0.915 0.000 0.251 304 K C -0.892 175.577 176.600 -0.218 0.000 0.934 304 K CA -0.677 55.446 56.287 -0.274 0.000 0.802 304 K CB 1.945 34.124 32.500 -0.536 0.000 1.171 304 K HN 0.905 nan 8.250 nan 0.000 0.426 305 N N 3.785 122.366 118.700 -0.198 0.000 2.434 305 N HA 0.094 4.286 4.740 -0.915 0.000 0.272 305 N C -0.353 175.083 175.510 -0.124 0.000 1.040 305 N CA -0.284 52.746 53.050 -0.033 0.000 0.956 305 N CB 0.511 39.012 38.487 0.024 0.000 1.108 305 N HN 0.693 nan 8.380 nan 0.000 0.481 306 W N 2.078 123.457 121.300 0.131 0.000 3.139 306 W HA 0.152 4.263 4.660 -0.915 0.000 0.260 306 W C 1.853 178.428 176.519 0.094 0.000 1.312 306 W CA -0.211 57.207 57.345 0.122 0.000 1.606 306 W CB 0.446 30.003 29.460 0.161 0.000 1.118 306 W HN 0.656 nan 8.180 nan 0.000 0.675 307 E N -0.486 119.844 120.200 0.217 0.000 2.307 307 E HA -0.064 3.738 4.350 -0.915 0.000 0.195 307 E C 2.034 178.645 176.600 0.017 0.000 0.975 307 E CA 1.547 57.964 56.400 0.028 0.000 0.878 307 E CB 0.156 29.744 29.700 -0.187 0.000 0.845 307 E HN 0.092 nan 8.360 nan 0.000 0.488 308 T N -3.223 111.341 114.554 0.016 0.000 3.040 308 T HA 0.152 3.954 4.350 -0.915 0.000 0.266 308 T C 0.205 174.876 174.700 -0.049 0.000 1.005 308 T CA 0.251 62.343 62.100 -0.013 0.000 0.906 308 T CB 0.188 69.051 68.868 -0.007 0.000 1.082 308 T HN -0.053 nan 8.240 nan 0.000 0.531 309 D N 0.454 120.800 120.400 -0.089 0.000 3.068 309 D HA -0.132 3.960 4.640 -0.915 0.000 0.219 309 D C 0.033 176.239 176.300 -0.157 0.000 1.175 309 D CA 0.579 54.482 54.000 -0.162 0.000 0.942 309 D CB -1.890 38.838 40.800 -0.120 0.000 1.127 309 D HN 0.467 nan 8.370 nan 0.000 0.404 310 V N 0.535 120.376 119.914 -0.122 0.000 2.673 310 V HA 0.131 3.702 4.120 -0.915 0.000 0.303 310 V C 0.872 176.867 176.094 -0.165 0.000 1.046 310 V CA 0.056 62.284 62.300 -0.120 0.000 1.126 310 V CB 1.588 33.358 31.823 -0.089 0.000 0.934 310 V HN -0.043 nan 8.190 nan 0.000 0.487 311 V N 7.036 126.856 119.914 -0.157 0.000 2.487 311 V HA 0.535 4.106 4.120 -0.915 0.000 0.298 311 V C -0.248 175.742 176.094 -0.173 0.000 1.028 311 V CA -0.485 61.713 62.300 -0.170 0.000 0.860 311 V CB 1.635 33.373 31.823 -0.142 0.000 0.991 311 V HN 0.628 nan 8.190 nan 0.000 0.427 312 L N 3.402 124.481 121.223 -0.241 0.000 2.354 312 L HA 0.706 4.497 4.340 -0.915 0.000 0.269 312 L C -0.130 176.637 176.870 -0.171 0.000 1.005 312 L CA -0.481 54.166 54.840 -0.322 0.000 0.819 312 L CB 2.632 44.195 42.059 -0.828 0.000 1.311 312 L HN 0.524 nan 8.230 nan 0.000 0.423 313 T N -0.019 114.546 114.554 0.019 0.000 2.772 313 T HA 0.183 3.984 4.350 -0.915 0.000 0.288 313 T C -0.715 174.141 174.700 0.261 0.000 0.994 313 T CA -0.453 61.710 62.100 0.105 0.000 0.951 313 T CB 1.128 70.019 68.868 0.039 0.000 0.933 313 T HN 0.432 nan 8.240 nan 0.000 0.447 314 D N 2.779 123.355 120.400 0.294 0.000 2.313 314 D HA 0.149 4.240 4.640 -0.915 0.000 0.239 314 D C 0.888 177.204 176.300 0.027 0.000 1.142 314 D CA -0.209 53.934 54.000 0.238 0.000 0.847 314 D CB 1.334 42.335 40.800 0.336 0.000 1.082 314 D HN 0.617 nan 8.370 nan 0.000 0.480 315 T N 1.128 115.568 114.554 -0.190 0.000 3.001 315 T HA -0.029 3.772 4.350 -0.915 0.000 0.251 315 T C 1.725 176.204 174.700 -0.369 0.000 1.040 315 T CA -0.297 61.580 62.100 -0.372 0.000 0.985 315 T CB 0.213 68.757 68.868 -0.540 0.000 1.011 315 T HN 0.259 nan 8.240 nan 0.000 0.509 316 L N 2.855 123.922 121.223 -0.260 0.000 2.217 316 L HA 0.032 3.823 4.340 -0.915 0.000 0.211 316 L C 2.499 179.144 176.870 -0.375 0.000 1.107 316 L CA 1.555 56.255 54.840 -0.233 0.000 0.783 316 L CB -0.916 41.074 42.059 -0.115 0.000 0.919 316 L HN 0.550 nan 8.230 nan 0.000 0.442 317 H N -0.818 117.859 119.070 -0.655 0.000 2.489 317 H HA -0.152 3.855 4.556 -0.915 0.000 0.295 317 H C 1.878 176.922 175.328 -0.473 0.000 1.082 317 H CA 1.564 56.952 56.048 -1.100 0.000 1.295 317 H CB -0.689 28.409 29.762 -1.107 0.000 1.380 317 H HN 0.439 nan 8.280 nan 0.000 0.548 318 L N 0.555 121.168 121.223 -1.015 0.000 2.265 318 L HA -0.107 3.684 4.340 -0.915 0.000 0.215 318 L C 1.639 178.347 176.870 -0.270 0.000 1.117 318 L CA 1.241 55.741 54.840 -0.567 0.000 0.782 318 L CB -0.188 41.600 42.059 -0.451 0.000 0.914 318 L HN 0.206 nan 8.230 nan 0.000 0.441 319 K N -0.484 119.776 120.400 -0.232 0.000 2.500 319 K HA 0.097 3.869 4.320 -0.915 0.000 0.206 319 K C 0.632 177.200 176.600 -0.053 0.000 1.034 319 K CA -0.195 56.027 56.287 -0.108 0.000 1.179 319 K CB 0.447 32.901 32.500 -0.078 0.000 0.884 319 K HN 0.005 nan 8.250 nan 0.000 0.493 320 S N 0.120 115.775 115.700 -0.075 0.000 2.564 320 S HA 0.046 3.967 4.470 -0.915 0.000 0.278 320 S C 0.896 175.518 174.600 0.036 0.000 1.333 320 S CA -0.037 58.177 58.200 0.024 0.000 1.048 320 S CB 1.145 64.360 63.200 0.024 0.000 0.900 320 S HN 0.264 nan 8.310 nan 0.000 0.505 321 T N 4.317 118.909 114.554 0.064 0.000 3.391 321 T HA 0.343 4.144 4.350 -0.915 0.000 0.233 321 T C 0.754 175.484 174.700 0.050 0.000 0.960 321 T CA -0.021 62.108 62.100 0.048 0.000 1.342 321 T CB -0.645 68.252 68.868 0.048 0.000 1.124 321 T HN 0.595 nan 8.240 nan 0.000 0.396 322 L N 1.576 122.830 121.223 0.053 0.000 2.356 322 L HA 0.252 4.043 4.340 -0.915 0.000 0.241 322 L C 0.328 177.232 176.870 0.056 0.000 1.242 322 L CA 0.248 55.117 54.840 0.047 0.000 0.820 322 L CB -0.062 42.020 42.059 0.038 0.000 1.124 322 L HN 0.388 nan 8.230 nan 0.000 0.584 323 E N -1.408 118.821 120.200 0.049 0.000 2.195 323 E HA 0.182 3.983 4.350 -0.915 0.000 0.271 323 E C 0.335 176.968 176.600 0.055 0.000 0.923 323 E CA -0.114 56.317 56.400 0.052 0.000 0.790 323 E CB 1.759 31.485 29.700 0.043 0.000 1.155 323 E HN 0.664 nan 8.360 nan 0.000 0.402 324 T N -0.664 113.927 114.554 0.061 0.000 3.014 324 T HA 0.142 3.943 4.350 -0.915 0.000 0.263 324 T C 1.467 176.199 174.700 0.053 0.000 1.078 324 T CA 0.514 62.651 62.100 0.061 0.000 1.135 324 T CB 0.043 68.954 68.868 0.072 0.000 0.895 324 T HN 0.782 nan 8.240 nan 0.000 0.480 325 G N 0.256 109.085 108.800 0.050 0.000 2.213 325 G HA2 -0.244 3.167 3.960 -0.915 0.000 0.236 325 G HA3 -0.244 3.167 3.960 -0.915 0.000 0.236 325 G C 0.310 175.238 174.900 0.047 0.000 0.991 325 G CA -0.175 44.953 45.100 0.047 0.000 0.629 325 G HN 0.740 nan 8.290 nan 0.000 0.517 326 C N 1.406 120.734 119.300 0.047 0.000 2.443 326 C HA 0.877 4.789 4.460 -0.915 0.000 0.369 326 C C 1.073 176.087 174.990 0.040 0.000 1.241 326 C CA 0.605 59.649 59.018 0.044 0.000 2.413 326 C CB 1.014 28.779 27.740 0.041 0.000 2.451 326 C HN 0.977 nan 8.230 nan 0.000 0.595 327 T N -1.258 113.320 114.554 0.040 0.000 2.864 327 T HA 0.390 4.191 4.350 -0.915 0.000 0.289 327 T C 0.346 175.043 174.700 -0.005 0.000 1.082 327 T CA -0.500 61.618 62.100 0.030 0.000 1.009 327 T CB 1.078 69.987 68.868 0.067 0.000 1.234 327 T HN 0.566 nan 8.240 nan 0.000 0.526 328 E N -0.289 119.867 120.200 -0.074 0.000 2.333 328 E HA -0.056 3.745 4.350 -0.915 0.000 0.198 328 E C 1.505 177.992 176.600 -0.187 0.000 1.007 328 E CA 1.081 57.387 56.400 -0.156 0.000 0.845 328 E CB -0.199 29.359 29.700 -0.237 0.000 0.766 328 E HN 0.563 nan 8.360 nan 0.000 0.507 329 H N -0.846 118.229 119.070 0.008 0.000 2.562 329 H HA 0.358 4.366 4.556 -0.915 0.000 0.267 329 H C 0.208 175.539 175.328 0.006 0.000 0.959 329 H CA 0.391 56.443 56.048 0.006 0.000 1.204 329 H CB 0.781 30.547 29.762 0.007 0.000 1.430 329 H HN 0.130 nan 8.280 nan 0.000 0.545 330 I N 0.138 120.775 120.570 0.111 0.000 2.702 330 I HA 0.156 3.777 4.170 -0.915 0.000 0.287 330 I C -1.334 174.811 176.117 0.048 0.000 1.342 330 I CA -0.627 60.717 61.300 0.072 0.000 1.063 330 I CB 1.314 39.358 38.000 0.073 0.000 1.331 330 I HN -0.045 nan 8.210 nan 0.000 0.427 331 C N 7.761 127.081 119.300 0.034 0.000 2.347 331 C HA 0.552 4.463 4.460 -0.915 0.000 0.353 331 C C 0.926 175.937 174.990 0.035 0.000 1.273 331 C CA -0.391 58.644 59.018 0.028 0.000 1.861 331 C CB 0.382 28.129 27.740 0.013 0.000 2.420 331 C HN 0.912 nan 8.230 nan 0.000 0.542 332 M N 4.661 124.287 119.600 0.043 0.000 2.484 332 M HA 0.188 4.120 4.480 -0.915 0.000 0.307 332 M C 1.908 178.246 176.300 0.064 0.000 1.149 332 M CA 0.110 55.441 55.300 0.051 0.000 0.972 332 M CB 0.176 32.806 32.600 0.050 0.000 1.400 332 M HN 1.006 nan 8.290 nan 0.000 0.508 333 G N 1.158 109.996 108.800 0.062 0.000 2.532 333 G HA2 -0.240 3.171 3.960 -0.915 0.000 0.222 333 G HA3 -0.240 3.171 3.960 -0.915 0.000 0.222 333 G C 1.416 176.388 174.900 0.121 0.000 1.102 333 G CA 1.643 46.793 45.100 0.084 0.000 0.742 333 G HN 0.580 nan 8.290 nan 0.000 0.577 334 S N -0.534 115.231 115.700 0.108 0.000 2.539 334 S HA 0.355 4.276 4.470 -0.915 0.000 0.221 334 S C 0.723 175.403 174.600 0.133 0.000 0.987 334 S CA -0.655 57.627 58.200 0.136 0.000 0.929 334 S CB 0.227 63.492 63.200 0.108 0.000 0.832 334 S HN 0.042 nan 8.310 nan 0.000 0.492 335 I N 2.872 123.507 120.570 0.108 0.000 2.618 335 I HA 0.127 3.748 4.170 -0.915 0.000 0.284 335 I C 1.748 177.941 176.117 0.127 0.000 1.146 335 I CA 0.147 61.505 61.300 0.097 0.000 1.425 335 I CB -0.074 37.967 38.000 0.068 0.000 1.383 335 I HN 0.307 nan 8.210 nan 0.000 0.562 336 M N 5.934 125.610 119.600 0.127 0.000 2.159 336 M HA -0.053 3.879 4.480 -0.915 0.000 0.263 336 M C 0.335 176.666 176.300 0.051 0.000 1.063 336 M CA 1.671 57.060 55.300 0.149 0.000 1.110 336 M CB -0.141 32.532 32.600 0.121 0.000 1.374 336 M HN 0.419 nan 8.290 nan 0.000 0.411 337 L N 1.020 122.254 121.223 0.019 0.000 2.462 337 L HA 0.392 4.183 4.340 -0.915 0.000 0.255 337 L C -2.253 174.642 176.870 0.041 0.000 1.076 337 L CA -1.571 53.277 54.840 0.014 0.000 0.920 337 L CB 0.184 42.208 42.059 -0.059 0.000 1.214 337 L HN -0.010 nan 8.230 nan 0.000 0.472 351 K N 0.612 121.019 120.400 0.012 0.000 2.144 351 K HA -0.214 3.557 4.320 -0.915 0.000 0.209 351 K C 1.025 177.648 176.600 0.038 0.000 1.047 351 K CA 1.873 58.163 56.287 0.006 0.000 0.927 351 K CB -0.013 32.476 32.500 -0.018 0.000 0.716 351 K HN 0.460 nan 8.250 nan 0.000 0.454 352 D N 0.177 120.605 120.400 0.046 0.000 2.213 352 D HA -0.062 4.029 4.640 -0.915 0.000 0.205 352 D C 1.905 178.255 176.300 0.083 0.000 0.961 352 D CA 0.909 54.952 54.000 0.071 0.000 0.853 352 D CB 0.118 40.946 40.800 0.047 0.000 0.967 352 D HN 0.276 nan 8.370 nan 0.000 0.496 353 Q N -0.182 119.657 119.800 0.065 0.000 2.187 353 Q HA -0.020 3.771 4.340 -0.915 0.000 0.199 353 Q C 1.913 177.969 176.000 0.093 0.000 0.957 353 Q CA 0.398 56.240 55.803 0.064 0.000 0.857 353 Q CB 0.157 28.921 28.738 0.043 0.000 0.929 353 Q HN 0.127 nan 8.270 nan 0.000 0.453 354 L N -0.165 121.124 121.223 0.110 0.000 2.156 354 L HA -0.062 3.729 4.340 -0.915 0.000 0.208 354 L C 1.844 178.848 176.870 0.223 0.000 1.095 354 L CA 1.405 56.332 54.840 0.146 0.000 0.770 354 L CB -0.462 41.675 42.059 0.129 0.000 0.914 354 L HN 0.120 nan 8.230 nan 0.000 0.439 355 F N 1.303 121.255 119.950 0.002 0.000 2.102 355 F HA -0.023 3.955 4.527 -0.915 0.000 0.298 355 F C -0.395 175.399 175.800 -0.011 0.000 1.105 355 F CA 0.683 58.665 58.000 -0.029 0.000 1.239 355 F CB -1.982 36.996 39.000 -0.038 0.000 0.991 355 F HN 0.134 nan 8.300 nan 0.000 0.474 356 P HA -0.193 nan 4.420 nan 0.000 0.215 356 P C 2.322 179.627 177.300 0.009 0.000 1.157 356 P CA 1.761 64.827 63.100 -0.056 0.000 0.874 356 P CB -0.160 31.535 31.700 -0.008 0.000 0.790 357 L N -1.045 120.226 121.223 0.080 0.000 1.989 357 L HA -0.228 3.563 4.340 -0.915 0.000 0.211 357 L C 2.533 179.507 176.870 0.174 0.000 1.071 357 L CA 1.914 56.825 54.840 0.118 0.000 0.749 357 L CB -1.430 40.698 42.059 0.115 0.000 0.890 357 L HN -0.036 nan 8.230 nan 0.000 0.431 358 A N 0.039 122.971 122.820 0.186 0.000 1.865 358 A HA -0.276 3.495 4.320 -0.915 0.000 0.217 358 A C 2.411 180.096 177.584 0.168 0.000 1.191 358 A CA 2.133 54.282 52.037 0.187 0.000 0.623 358 A CB -0.572 18.403 19.000 -0.043 0.000 0.826 358 A HN 0.333 nan 8.150 nan 0.000 0.444 359 K N -0.256 120.163 120.400 0.033 0.000 2.001 359 K HA -0.272 3.500 4.320 -0.915 0.000 0.214 359 K C 2.216 178.844 176.600 0.047 0.000 1.050 359 K CA 2.044 58.300 56.287 -0.052 0.000 0.934 359 K CB -0.296 32.044 32.500 -0.266 0.000 0.718 359 K HN 0.668 nan 8.250 nan 0.000 0.443 360 E N -0.141 120.099 120.200 0.067 0.000 2.070 360 E HA -0.250 3.551 4.350 -0.915 0.000 0.197 360 E C 2.027 178.728 176.600 0.168 0.000 1.004 360 E CA 1.500 57.962 56.400 0.103 0.000 0.805 360 E CB -0.355 29.402 29.700 0.095 0.000 0.744 360 E HN 0.374 nan 8.360 nan 0.000 0.451 361 F N 1.576 121.582 119.950 0.095 0.000 2.069 361 F HA -0.200 3.779 4.527 -0.913 0.000 0.298 361 F C 2.128 178.014 175.800 0.144 0.000 1.113 361 F CA 1.806 59.885 58.000 0.133 0.000 1.214 361 F CB -0.425 38.670 39.000 0.158 0.000 0.978 361 F HN 0.008 nan 8.300 nan 0.000 0.474 362 L N -0.067 121.161 121.223 0.009 0.000 2.083 362 L HA -0.214 3.578 4.340 -0.915 0.000 0.209 362 L C 2.116 178.970 176.870 -0.027 0.000 1.083 362 L CA 1.404 56.229 54.840 -0.025 0.000 0.752 362 L CB -0.999 41.158 42.059 0.163 0.000 0.899 362 L HN 0.081 nan 8.230 nan 0.000 0.433 363 D N 0.025 120.443 120.400 0.030 0.000 2.106 363 D HA -0.226 3.865 4.640 -0.915 0.000 0.191 363 D C 2.328 178.632 176.300 0.006 0.000 0.997 363 D CA 1.340 55.368 54.000 0.046 0.000 0.834 363 D CB -0.208 40.704 40.800 0.187 0.000 0.956 363 D HN 0.386 nan 8.370 nan 0.000 0.448 364 Q N -0.850 118.923 119.800 -0.046 0.000 2.002 364 Q HA -0.225 3.566 4.340 -0.915 0.000 0.204 364 Q C 2.124 177.944 176.000 -0.301 0.000 0.988 364 Q CA 1.457 57.206 55.803 -0.090 0.000 0.843 364 Q CB -0.434 28.298 28.738 -0.010 0.000 0.908 364 Q HN 0.396 nan 8.270 nan 0.000 0.420 365 Y N 0.327 120.173 120.300 -0.756 0.000 2.040 365 Y HA -0.343 3.659 4.550 -0.914 0.000 0.275 365 Y C 1.899 177.380 175.900 -0.698 0.000 1.171 365 Y CA 1.827 59.263 58.100 -1.107 0.000 1.123 365 Y CB -0.574 37.206 38.460 -1.134 0.000 0.963 365 Y HN 0.119 nan 8.280 nan 0.000 0.493 366 Y N -0.804 119.099 120.300 -0.661 0.000 2.421 366 Y HA -0.147 3.855 4.550 -0.915 0.000 0.292 366 Y C 2.993 178.639 175.900 -0.423 0.000 1.136 366 Y CA 1.519 59.217 58.100 -0.671 0.000 1.255 366 Y CB -0.574 37.376 38.460 -0.849 0.000 0.991 366 Y HN 0.267 nan 8.280 nan 0.000 0.552 367 S N -0.733 114.897 115.700 -0.116 0.000 2.387 367 S HA -0.153 3.768 4.470 -0.915 0.000 0.226 367 S C 2.299 176.822 174.600 -0.128 0.000 1.026 367 S CA 1.232 59.442 58.200 0.017 0.000 0.972 367 S CB -0.584 62.668 63.200 0.086 0.000 0.814 367 S HN 0.526 nan 8.310 nan 0.000 0.477 368 S N 2.103 117.659 115.700 -0.241 0.000 2.423 368 S HA -0.013 3.908 4.470 -0.915 0.000 0.231 368 S C 1.690 176.151 174.600 -0.231 0.000 1.014 368 S CA 0.922 59.010 58.200 -0.187 0.000 0.965 368 S CB -0.956 62.159 63.200 -0.141 0.000 0.785 368 S HN 0.842 nan 8.310 nan 0.000 0.495 369 I N -2.134 118.188 120.570 -0.413 0.000 3.855 369 I HA 0.433 4.054 4.170 -0.915 0.000 0.327 369 I C -0.223 175.764 176.117 -0.217 0.000 1.359 369 I CA -0.673 60.417 61.300 -0.351 0.000 1.142 369 I CB -0.600 37.067 38.000 -0.556 0.000 1.041 369 I HN -0.018 nan 8.210 nan 0.000 0.403 370 K N 1.880 122.191 120.400 -0.149 0.000 3.257 370 K HA -0.168 3.603 4.320 -0.915 0.000 0.270 370 K C 0.374 176.961 176.600 -0.022 0.000 0.984 370 K CA 0.510 56.762 56.287 -0.059 0.000 0.739 370 K CB -1.274 31.199 32.500 -0.045 0.000 1.351 370 K HN 0.578 nan 8.250 nan 0.000 0.463 371 R N 0.358 120.855 120.500 -0.005 0.000 2.616 371 R HA 0.134 3.925 4.340 -0.915 0.000 0.427 371 R C -0.334 176.049 176.300 0.138 0.000 1.030 371 R CA -0.478 55.669 56.100 0.077 0.000 1.133 371 R CB 0.361 30.721 30.300 0.099 0.000 1.444 371 R HN 0.216 nan 8.270 nan 0.000 0.578 372 F N 1.146 121.081 119.950 -0.024 0.000 2.578 372 F HA 0.132 4.110 4.527 -0.915 0.000 0.376 372 F C 1.383 177.255 175.800 0.120 0.000 1.085 372 F CA 1.647 59.642 58.000 -0.008 0.000 1.260 372 F CB 0.747 39.722 39.000 -0.042 0.000 1.095 372 F HN 0.419 nan 8.300 nan 0.000 0.573 373 G N 3.941 112.631 108.800 -0.182 0.000 2.273 373 G HA2 -0.251 3.161 3.960 -0.915 0.000 0.280 373 G HA3 -0.251 3.161 3.960 -0.915 0.000 0.280 373 G C -0.035 174.859 174.900 -0.010 0.000 1.047 373 G CA 0.393 45.427 45.100 -0.110 0.000 0.869 373 G HN 1.139 nan 8.290 nan 0.000 0.502 374 S N -1.774 113.932 115.700 0.011 0.000 2.722 374 S HA 0.742 4.664 4.470 -0.915 0.000 0.292 374 S C 1.270 175.847 174.600 -0.038 0.000 1.135 374 S CA 0.149 58.356 58.200 0.012 0.000 1.003 374 S CB 2.139 65.376 63.200 0.061 0.000 1.067 374 S HN 0.280 nan 8.310 nan 0.000 0.546 375 K N 1.322 121.706 120.400 -0.026 0.000 2.015 375 K HA -0.127 3.644 4.320 -0.915 0.000 0.216 375 K C 2.313 178.879 176.600 -0.057 0.000 1.052 375 K CA 2.150 58.409 56.287 -0.046 0.000 0.937 375 K CB -1.294 31.193 32.500 -0.022 0.000 0.719 375 K HN 0.803 nan 8.250 nan 0.000 0.446 376 A N 0.287 123.108 122.820 0.001 0.000 1.940 376 A HA -0.321 3.450 4.320 -0.915 0.000 0.221 376 A C 2.207 179.704 177.584 -0.144 0.000 1.190 376 A CA 2.291 54.351 52.037 0.038 0.000 0.647 376 A CB -1.205 17.905 19.000 0.185 0.000 0.821 376 A HN 0.709 nan 8.150 nan 0.000 0.457 377 H N -0.841 117.936 119.070 -0.488 0.000 2.254 377 H HA -0.195 3.812 4.556 -0.915 0.000 0.294 377 H C 2.163 177.115 175.328 -0.627 0.000 1.071 377 H CA 1.908 57.316 56.048 -1.066 0.000 1.228 377 H CB -0.126 29.156 29.762 -0.800 0.000 1.358 377 H HN 0.413 nan 8.280 nan 0.000 0.495 378 M N 0.781 120.100 119.600 -0.469 0.000 2.149 378 M HA -0.148 3.783 4.480 -0.915 0.000 0.261 378 M C 1.686 177.833 176.300 -0.255 0.000 1.064 378 M CA 1.103 56.144 55.300 -0.432 0.000 1.102 378 M CB -0.917 31.496 32.600 -0.312 0.000 1.369 378 M HN 0.324 nan 8.290 nan 0.000 0.408 379 D N 0.588 120.878 120.400 -0.182 0.000 2.087 379 D HA -0.173 3.919 4.640 -0.915 0.000 0.192 379 D C 2.087 178.340 176.300 -0.079 0.000 0.993 379 D CA 1.651 55.591 54.000 -0.101 0.000 0.828 379 D CB -0.339 40.427 40.800 -0.056 0.000 0.968 379 D HN 0.348 nan 8.370 nan 0.000 0.448 380 R N 0.531 120.980 120.500 -0.085 0.000 2.127 380 R HA -0.071 3.720 4.340 -0.915 0.000 0.238 380 R C 2.249 178.528 176.300 -0.036 0.000 1.134 380 R CA 0.947 57.036 56.100 -0.018 0.000 0.975 380 R CB -0.742 29.589 30.300 0.051 0.000 0.865 380 R HN 0.179 nan 8.270 nan 0.000 0.447 381 L N 0.390 121.551 121.223 -0.103 0.000 2.093 381 L HA -0.078 3.713 4.340 -0.915 0.000 0.208 381 L C 2.306 179.176 176.870 0.001 0.000 1.085 381 L CA 1.803 56.603 54.840 -0.067 0.000 0.755 381 L CB -0.293 41.651 42.059 -0.190 0.000 0.904 381 L HN 0.299 nan 8.230 nan 0.000 0.435 382 E N 0.020 120.195 120.200 -0.042 0.000 2.072 382 E HA -0.295 3.506 4.350 -0.915 0.000 0.191 382 E C 2.053 178.632 176.600 -0.035 0.000 0.985 382 E CA 1.608 57.995 56.400 -0.022 0.000 0.801 382 E CB -0.099 29.575 29.700 -0.044 0.000 0.750 382 E HN 0.496 nan 8.360 nan 0.000 0.452 383 E N -0.646 119.535 120.200 -0.032 0.000 2.118 383 E HA -0.164 3.637 4.350 -0.915 0.000 0.195 383 E C 1.863 178.435 176.600 -0.046 0.000 0.992 383 E CA 1.427 57.812 56.400 -0.026 0.000 0.804 383 E CB 0.106 29.807 29.700 0.003 0.000 0.741 383 E HN 0.209 nan 8.360 nan 0.000 0.458 384 V N 1.676 121.551 119.914 -0.065 0.000 2.488 384 V HA -0.200 3.372 4.120 -0.915 0.000 0.246 384 V C 2.368 178.303 176.094 -0.265 0.000 1.046 384 V CA 1.626 63.828 62.300 -0.162 0.000 1.053 384 V CB -0.696 30.965 31.823 -0.270 0.000 0.679 384 V HN 0.424 nan 8.190 nan 0.000 0.458 385 N N 0.730 119.271 118.700 -0.266 0.000 2.043 385 N HA -0.255 3.936 4.740 -0.915 0.000 0.193 385 N C 1.930 177.212 175.510 -0.380 0.000 1.037 385 N CA 1.762 54.425 53.050 -0.644 0.000 0.851 385 N CB -0.070 38.103 38.487 -0.523 0.000 1.027 385 N HN 0.454 nan 8.380 nan 0.000 0.422 386 K N 0.623 120.902 120.400 -0.201 0.000 2.059 386 K HA -0.223 3.548 4.320 -0.915 0.000 0.212 386 K C 2.046 178.573 176.600 -0.121 0.000 1.050 386 K CA 1.664 57.871 56.287 -0.134 0.000 0.927 386 K CB -0.220 32.235 32.500 -0.075 0.000 0.714 386 K HN 0.409 nan 8.250 nan 0.000 0.447 387 E N 0.933 121.073 120.200 -0.100 0.000 2.047 387 E HA -0.155 3.646 4.350 -0.915 0.000 0.191 387 E C 2.075 178.640 176.600 -0.058 0.000 0.987 387 E CA 0.771 57.146 56.400 -0.042 0.000 0.799 387 E CB -0.031 29.689 29.700 0.034 0.000 0.752 387 E HN 0.203 nan 8.360 nan 0.000 0.449 388 I N 1.508 122.002 120.570 -0.127 0.000 2.113 388 I HA -0.323 3.298 4.170 -0.915 0.000 0.242 388 I C 2.442 178.471 176.117 -0.147 0.000 1.064 388 I CA 1.383 62.595 61.300 -0.145 0.000 1.320 388 I CB -0.235 37.574 38.000 -0.319 0.000 1.028 388 I HN 0.184 nan 8.210 nan 0.000 0.406 389 E N -0.172 119.908 120.200 -0.201 0.000 2.160 389 E HA -0.228 3.573 4.350 -0.915 0.000 0.195 389 E C 2.245 178.792 176.600 -0.089 0.000 0.991 389 E CA 1.825 58.134 56.400 -0.152 0.000 0.810 389 E CB -0.151 29.453 29.700 -0.162 0.000 0.742 389 E HN 0.509 nan 8.360 nan 0.000 0.466 390 S N -0.742 114.915 115.700 -0.072 0.000 2.599 390 S HA -0.021 3.900 4.470 -0.915 0.000 0.236 390 S C 1.949 176.531 174.600 -0.029 0.000 1.077 390 S CA 0.913 59.086 58.200 -0.044 0.000 0.906 390 S CB 0.067 63.245 63.200 -0.037 0.000 0.804 390 S HN 0.255 nan 8.310 nan 0.000 0.497 391 T N -0.561 113.979 114.554 -0.023 0.000 3.044 391 T HA 0.204 4.005 4.350 -0.915 0.000 0.255 391 T C 1.421 176.113 174.700 -0.013 0.000 1.073 391 T CA 1.307 63.401 62.100 -0.010 0.000 1.125 391 T CB -0.123 68.749 68.868 0.007 0.000 0.908 391 T HN 1.358 nan 8.240 nan 0.000 0.480 392 S N -0.722 114.967 115.700 -0.017 0.000 2.596 392 S HA -0.205 3.716 4.470 -0.915 0.000 0.260 392 S C 0.327 174.933 174.600 0.009 0.000 1.282 392 S CA 1.423 59.614 58.200 -0.016 0.000 1.357 392 S CB -2.501 60.686 63.200 -0.022 0.000 1.674 392 S HN 0.989 nan 8.310 nan 0.000 0.641 393 T N -0.064 114.507 114.554 0.029 0.000 2.604 393 T HA 0.799 4.601 4.350 -0.915 0.000 0.267 393 T C -1.143 173.669 174.700 0.186 0.000 0.923 393 T CA 0.196 62.331 62.100 0.059 0.000 1.077 393 T CB 1.403 70.247 68.868 -0.041 0.000 1.392 393 T HN 1.557 nan 8.240 nan 0.000 0.531 394 Y N -1.057 119.219 120.300 -0.040 0.000 2.779 394 Y HA 0.715 4.717 4.550 -0.912 0.000 0.340 394 Y C -1.858 174.040 175.900 -0.003 0.000 1.252 394 Y CA -1.293 56.797 58.100 -0.017 0.000 1.072 394 Y CB 0.792 39.251 38.460 -0.002 0.000 1.343 394 Y HN 0.401 nan 8.280 nan 0.000 0.450 395 Q N 2.247 122.063 119.800 0.025 0.000 2.337 395 Q HA 0.518 4.310 4.340 -0.915 0.000 0.266 395 Q C -1.063 174.977 176.000 0.067 0.000 1.023 395 Q CA -0.833 54.945 55.803 -0.042 0.000 0.829 395 Q CB 3.045 31.797 28.738 0.023 0.000 1.306 395 Q HN 0.792 nan 8.270 nan 0.000 0.449 396 L N 1.962 123.195 121.223 0.016 0.000 2.371 396 L HA 0.285 4.077 4.340 -0.915 0.000 0.272 396 L C 0.811 177.720 176.870 0.066 0.000 1.124 396 L CA -0.632 54.265 54.840 0.095 0.000 0.816 396 L CB 0.422 42.521 42.059 0.067 0.000 1.129 396 L HN 0.229 nan 8.230 nan 0.000 0.448 397 K N 1.478 121.915 120.400 0.062 0.000 2.276 397 K HA -0.004 3.768 4.320 -0.915 0.000 0.259 397 K C 0.398 176.991 176.600 -0.012 0.000 1.001 397 K CA -0.288 56.011 56.287 0.020 0.000 0.927 397 K CB 0.612 33.115 32.500 0.005 0.000 0.969 397 K HN 0.477 nan 8.250 nan 0.000 0.490 398 D N 0.880 121.272 120.400 -0.013 0.000 2.116 398 D HA -0.180 3.912 4.640 -0.915 0.000 0.193 398 D C 1.796 178.081 176.300 -0.024 0.000 0.998 398 D CA 2.374 56.359 54.000 -0.025 0.000 0.836 398 D CB -0.362 40.429 40.800 -0.015 0.000 0.951 398 D HN 0.761 nan 8.370 nan 0.000 0.449 399 T N -1.288 113.251 114.554 -0.025 0.000 2.788 399 T HA -0.152 3.649 4.350 -0.915 0.000 0.268 399 T C 1.788 176.454 174.700 -0.057 0.000 1.044 399 T CA 1.303 63.400 62.100 -0.006 0.000 1.139 399 T CB -0.372 68.506 68.868 0.016 0.000 0.867 399 T HN 0.225 nan 8.240 nan 0.000 0.454 400 E N 0.722 120.794 120.200 -0.214 0.000 2.072 400 E HA 0.062 3.864 4.350 -0.915 0.000 0.190 400 E C 2.088 178.775 176.600 0.145 0.000 0.982 400 E CA 0.794 57.095 56.400 -0.165 0.000 0.803 400 E CB -0.270 29.374 29.700 -0.093 0.000 0.755 400 E HN 0.329 nan 8.360 nan 0.000 0.453 401 L N 1.033 122.272 121.223 0.026 0.000 2.017 401 L HA -0.168 3.623 4.340 -0.915 0.000 0.208 401 L C 2.068 178.931 176.870 -0.012 0.000 1.073 401 L CA 1.534 56.345 54.840 -0.049 0.000 0.745 401 L CB -0.174 41.807 42.059 -0.129 0.000 0.894 401 L HN 0.108 nan 8.230 nan 0.000 0.432 402 I N -1.746 118.840 120.570 0.027 0.000 2.179 402 I HA -0.355 3.266 4.170 -0.915 0.000 0.242 402 I C 2.375 178.602 176.117 0.184 0.000 1.088 402 I CA 1.818 63.153 61.300 0.059 0.000 1.357 402 I CB -0.525 37.504 38.000 0.049 0.000 1.051 402 I HN 0.350 nan 8.210 nan 0.000 0.409 403 Y N 1.714 122.106 120.300 0.154 0.000 2.081 403 Y HA -0.270 3.731 4.550 -0.915 0.000 0.280 403 Y C 2.449 178.553 175.900 0.340 0.000 1.163 403 Y CA 1.858 60.133 58.100 0.291 0.000 1.135 403 Y CB -0.914 37.718 38.460 0.286 0.000 0.970 403 Y HN 0.116 nan 8.280 nan 0.000 0.498 404 G N -0.216 108.857 108.800 0.455 0.000 2.476 404 G HA2 -0.333 3.078 3.960 -0.915 0.000 0.218 404 G HA3 -0.333 3.078 3.960 -0.915 0.000 0.218 404 G C 1.784 176.685 174.900 0.002 0.000 1.164 404 G CA 1.256 46.506 45.100 0.250 0.000 0.768 404 G HN 0.651 nan 8.290 nan 0.000 0.560 405 A N 0.376 123.180 122.820 -0.028 0.000 1.930 405 A HA 0.068 3.839 4.320 -0.915 0.000 0.217 405 A C 2.311 179.928 177.584 0.054 0.000 1.175 405 A CA 1.893 53.888 52.037 -0.071 0.000 0.627 405 A CB -0.279 18.682 19.000 -0.064 0.000 0.815 405 A HN 0.386 nan 8.150 nan 0.000 0.443 406 K N -1.412 119.067 120.400 0.133 0.000 2.103 406 K HA -0.108 3.663 4.320 -0.915 0.000 0.204 406 K C 1.910 178.568 176.600 0.097 0.000 1.052 406 K CA 1.488 57.933 56.287 0.262 0.000 0.945 406 K CB -0.250 32.441 32.500 0.318 0.000 0.722 406 K HN 0.620 nan 8.250 nan 0.000 0.443 407 H N -0.023 118.962 119.070 -0.142 0.000 2.423 407 H HA 0.004 4.011 4.556 -0.915 0.000 0.297 407 H C 1.849 177.045 175.328 -0.221 0.000 1.075 407 H CA 1.297 57.148 56.048 -0.328 0.000 1.342 407 H CB -0.044 29.408 29.762 -0.517 0.000 1.395 407 H HN 0.243 nan 8.280 nan 0.000 0.530 408 A N 0.226 122.970 122.820 -0.127 0.000 1.933 408 A HA -0.194 3.577 4.320 -0.915 0.000 0.218 408 A C 2.018 179.604 177.584 0.004 0.000 1.175 408 A CA 1.409 53.269 52.037 -0.295 0.000 0.628 408 A CB -0.841 17.633 19.000 -0.878 0.000 0.814 408 A HN 0.606 nan 8.150 nan 0.000 0.444 409 W N 0.804 122.089 121.300 -0.025 0.000 2.407 409 W HA -0.049 4.065 4.660 -0.911 0.000 0.305 409 W C 2.270 178.740 176.519 -0.081 0.000 1.196 409 W CA 1.232 58.610 57.345 0.056 0.000 1.311 409 W CB -0.706 28.783 29.460 0.049 0.000 1.135 409 W HN 0.340 nan 8.180 nan 0.000 0.514 410 R N 0.295 120.696 120.500 -0.166 0.000 2.117 410 R HA -0.209 3.583 4.340 -0.915 0.000 0.243 410 R C 1.426 177.545 176.300 -0.302 0.000 1.143 410 R CA 1.907 57.664 56.100 -0.573 0.000 0.968 410 R CB -0.469 29.101 30.300 -1.216 0.000 0.863 410 R HN 0.112 nan 8.270 nan 0.000 0.444 411 N N -0.115 118.483 118.700 -0.171 0.000 2.336 411 N HA 0.039 4.230 4.740 -0.915 0.000 0.189 411 N C -0.510 174.969 175.510 -0.052 0.000 1.113 411 N CA 0.495 53.476 53.050 -0.115 0.000 0.858 411 N CB 0.712 39.142 38.487 -0.095 0.000 0.970 411 N HN 0.135 nan 8.380 nan 0.000 0.471 412 A N 1.092 123.935 122.820 0.038 0.000 2.545 412 A HA 0.184 3.956 4.320 -0.915 0.000 0.297 412 A C 1.388 178.981 177.584 0.015 0.000 1.340 412 A CA -0.256 51.815 52.037 0.058 0.000 1.016 412 A CB -0.195 18.908 19.000 0.171 0.000 1.122 412 A HN 0.267 nan 8.150 nan 0.000 0.537 413 S N 2.615 118.282 115.700 -0.056 0.000 2.481 413 S HA -0.112 3.809 4.470 -0.915 0.000 0.231 413 S C 1.478 176.051 174.600 -0.045 0.000 0.996 413 S CA 0.762 58.928 58.200 -0.056 0.000 0.942 413 S CB -0.174 62.955 63.200 -0.117 0.000 0.768 413 S HN 0.753 nan 8.310 nan 0.000 0.520 414 R N -0.219 120.226 120.500 -0.091 0.000 2.313 414 R HA 0.221 4.012 4.340 -0.915 0.000 0.199 414 R C 0.196 176.521 176.300 0.042 0.000 0.958 414 R CA 0.116 56.175 56.100 -0.068 0.000 1.047 414 R CB -0.227 29.842 30.300 -0.385 0.000 0.955 414 R HN 0.439 nan 8.270 nan 0.000 0.481 415 C N 0.598 119.916 119.300 0.030 0.000 2.239 415 C HA 0.228 4.139 4.460 -0.915 0.000 0.325 415 C C 1.907 176.896 174.990 -0.002 0.000 1.231 415 C CA -0.711 58.354 59.018 0.080 0.000 1.652 415 C CB 0.429 28.289 27.740 0.200 0.000 2.284 415 C HN 0.259 nan 8.230 nan 0.000 0.499 416 V N 5.996 125.854 119.914 -0.092 0.000 3.041 416 V HA 0.145 3.716 4.120 -0.915 0.000 0.260 416 V C 1.952 178.118 176.094 0.119 0.000 1.105 416 V CA 2.361 64.519 62.300 -0.237 0.000 1.125 416 V CB -0.209 31.490 31.823 -0.205 0.000 0.730 416 V HN 1.069 nan 8.190 nan 0.000 0.479 417 G N -0.626 108.258 108.800 0.140 0.000 3.181 417 G HA2 -0.025 3.387 3.960 -0.915 0.000 0.219 417 G HA3 -0.025 3.387 3.960 -0.915 0.000 0.219 417 G C 1.312 176.269 174.900 0.095 0.000 1.182 417 G CA -0.258 44.928 45.100 0.143 0.000 0.791 417 G HN 0.475 nan 8.290 nan 0.000 0.537 418 R N -0.233 120.272 120.500 0.010 0.000 2.323 418 R HA 0.212 4.003 4.340 -0.915 0.000 0.198 418 R C 1.965 177.742 176.300 -0.872 0.000 0.988 418 R CA -0.100 55.722 56.100 -0.463 0.000 1.041 418 R CB -0.129 30.007 30.300 -0.273 0.000 0.926 418 R HN 0.414 nan 8.270 nan 0.000 0.476 419 I N 1.005 121.190 120.570 -0.642 0.000 2.530 419 I HA -0.256 3.366 4.170 -0.915 0.000 0.257 419 I C 1.280 177.190 176.117 -0.346 0.000 1.179 419 I CA 1.290 62.291 61.300 -0.497 0.000 1.440 419 I CB 0.189 38.128 38.000 -0.103 0.000 1.087 419 I HN 0.207 nan 8.210 nan 0.000 0.440 420 Q N 0.443 119.999 119.800 -0.406 0.000 2.360 420 Q HA -0.088 3.703 4.340 -0.915 0.000 0.202 420 Q C 1.594 177.115 176.000 -0.799 0.000 0.915 420 Q CA 0.325 55.892 55.803 -0.393 0.000 0.943 420 Q CB -0.120 28.549 28.738 -0.116 0.000 1.064 420 Q HN 0.776 nan 8.270 nan 0.000 0.511 421 W N 0.861 121.460 121.300 -1.169 0.000 2.342 421 W HA -0.183 3.927 4.660 -0.916 0.000 0.297 421 W C 1.324 177.483 176.519 -0.601 0.000 1.213 421 W CA 1.512 57.968 57.345 -1.481 0.000 1.251 421 W CB -1.200 27.580 29.460 -1.132 0.000 1.136 421 W HN 0.163 nan 8.180 nan 0.000 0.526 422 S N 0.815 115.605 115.700 -1.517 0.000 2.561 422 S HA -0.007 3.914 4.470 -0.915 0.000 0.225 422 S C 1.363 175.646 174.600 -0.529 0.000 0.977 422 S CA 0.562 57.976 58.200 -1.311 0.000 0.926 422 S CB -0.452 61.751 63.200 -1.661 0.000 0.769 422 S HN 0.354 nan 8.310 nan 0.000 0.533 423 K N 0.797 121.001 120.400 -0.328 0.000 2.417 423 K HA 0.279 4.051 4.320 -0.915 0.000 0.196 423 K C -0.073 176.556 176.600 0.049 0.000 1.023 423 K CA -0.385 55.842 56.287 -0.100 0.000 1.122 423 K CB -0.165 32.307 32.500 -0.046 0.000 0.850 423 K HN 0.306 nan 8.250 nan 0.000 0.521 424 L N 2.398 123.704 121.223 0.139 0.000 2.601 424 L HA -0.090 3.701 4.340 -0.915 0.000 0.277 424 L C 0.048 176.913 176.870 -0.010 0.000 1.219 424 L CA 0.625 55.575 54.840 0.183 0.000 0.915 424 L CB 0.270 42.511 42.059 0.303 0.000 1.160 424 L HN 0.060 nan 8.230 nan 0.000 0.494 425 Q N 3.917 123.659 119.800 -0.097 0.000 2.322 425 Q HA 0.454 4.245 4.340 -0.915 0.000 0.256 425 Q C -1.393 174.276 176.000 -0.552 0.000 0.960 425 Q CA -0.292 55.307 55.803 -0.341 0.000 0.934 425 Q CB 1.136 29.630 28.738 -0.407 0.000 1.200 425 Q HN 0.517 nan 8.270 nan 0.000 0.435 426 V N 5.656 125.258 119.914 -0.520 0.000 2.427 426 V HA 0.486 4.057 4.120 -0.915 0.000 0.286 426 V C -0.724 175.016 176.094 -0.590 0.000 1.034 426 V CA -0.539 61.499 62.300 -0.437 0.000 0.893 426 V CB 0.722 32.409 31.823 -0.228 0.000 0.982 426 V HN 0.649 nan 8.190 nan 0.000 0.452 427 F N 2.405 122.228 119.950 -0.212 0.000 2.427 427 F HA 0.395 4.378 4.527 -0.907 0.000 0.348 427 F C 0.217 175.849 175.800 -0.280 0.000 1.125 427 F CA -1.130 56.742 58.000 -0.212 0.000 0.989 427 F CB 1.397 40.284 39.000 -0.188 0.000 1.165 427 F HN 0.436 nan 8.300 nan 0.000 0.442 428 D N 3.164 123.525 120.400 -0.064 0.000 2.393 428 D HA 0.384 4.475 4.640 -0.915 0.000 0.232 428 D C 0.169 176.286 176.300 -0.306 0.000 1.192 428 D CA 0.074 53.958 54.000 -0.194 0.000 0.882 428 D CB 1.226 41.958 40.800 -0.114 0.000 1.038 428 D HN 0.607 nan 8.370 nan 0.000 0.499 429 A N 4.595 127.039 122.820 -0.627 0.000 2.610 429 A HA 0.155 3.926 4.320 -0.915 0.000 0.286 429 A C 1.709 178.951 177.584 -0.569 0.000 1.306 429 A CA -0.373 51.024 52.037 -1.067 0.000 0.942 429 A CB -0.035 17.816 19.000 -1.915 0.000 1.112 429 A HN 0.550 nan 8.150 nan 0.000 0.527 430 R N 0.678 120.986 120.500 -0.320 0.000 2.193 430 R HA -0.117 3.675 4.340 -0.915 0.000 0.229 430 R C 0.866 177.106 176.300 -0.099 0.000 1.110 430 R CA 1.349 57.341 56.100 -0.180 0.000 0.988 430 R CB -0.068 30.179 30.300 -0.088 0.000 0.871 430 R HN 0.677 nan 8.270 nan 0.000 0.458 431 D N -0.344 120.031 120.400 -0.041 0.000 2.349 431 D HA -0.072 4.020 4.640 -0.915 0.000 0.224 431 D C 0.362 176.735 176.300 0.122 0.000 1.029 431 D CA -0.109 53.924 54.000 0.055 0.000 0.879 431 D CB -0.582 40.276 40.800 0.097 0.000 0.906 431 D HN 0.023 nan 8.370 nan 0.000 0.528 432 C N 1.185 120.548 119.300 0.104 0.000 2.652 432 C HA 0.438 4.350 4.460 -0.915 0.000 0.412 432 C C 1.865 177.025 174.990 0.283 0.000 1.294 432 C CA 0.679 59.852 59.018 0.259 0.000 2.127 432 C CB 0.154 28.107 27.740 0.355 0.000 2.691 432 C HN 0.554 nan 8.230 nan 0.000 0.615 433 T N 0.201 114.964 114.554 0.348 0.000 2.986 433 T HA 0.285 4.086 4.350 -0.915 0.000 0.264 433 T C 0.255 175.143 174.700 0.313 0.000 0.964 433 T CA 0.598 62.920 62.100 0.371 0.000 0.895 433 T CB -0.117 68.891 68.868 0.233 0.000 1.163 433 T HN 0.912 nan 8.240 nan 0.000 0.517 434 T N -1.886 112.843 114.554 0.292 0.000 2.864 434 T HA 0.799 4.600 4.350 -0.915 0.000 0.299 434 T C 1.237 176.048 174.700 0.185 0.000 1.166 434 T CA -0.273 61.946 62.100 0.198 0.000 1.007 434 T CB 1.378 70.369 68.868 0.205 0.000 1.219 434 T HN 0.046 nan 8.240 nan 0.000 0.506 435 A N -0.075 122.837 122.820 0.153 0.000 1.929 435 A HA 0.028 3.799 4.320 -0.915 0.000 0.216 435 A C 1.922 179.475 177.584 -0.051 0.000 1.176 435 A CA 1.592 53.687 52.037 0.098 0.000 0.628 435 A CB -1.366 17.772 19.000 0.230 0.000 0.816 435 A HN 1.001 nan 8.150 nan 0.000 0.444 436 H N -0.532 118.616 119.070 0.131 0.000 2.290 436 H HA -0.045 5.334 4.556 1.371 0.000 0.298 436 H C 2.426 177.771 175.328 0.028 0.000 1.087 436 H CA 1.755 57.827 56.048 0.040 0.000 1.291 436 H CB -0.390 29.486 29.762 0.189 0.000 1.369 436 H HN 0.478 nan 8.280 nan 0.000 0.492 437 G N 0.420 109.357 108.800 0.229 0.000 2.529 437 G HA2 -0.357 3.054 3.960 -0.915 0.000 0.219 437 G HA3 -0.357 3.054 3.960 -0.915 0.000 0.219 437 G C 1.650 176.709 174.900 0.266 0.000 1.177 437 G CA 1.521 46.757 45.100 0.227 0.000 0.773 437 G HN 0.305 nan 8.290 nan 0.000 0.573 438 M N -0.634 119.068 119.600 0.170 0.000 2.108 438 M HA 0.032 3.963 4.480 -0.915 0.000 0.261 438 M C 2.326 178.639 176.300 0.021 0.000 1.066 438 M CA 1.375 56.706 55.300 0.053 0.000 1.107 438 M CB -0.380 32.038 32.600 -0.303 0.000 1.356 438 M HN 0.324 nan 8.290 nan 0.000 0.406 439 F N 1.210 120.943 119.950 -0.361 0.000 2.134 439 F HA -0.271 3.791 4.527 -0.776 0.000 0.299 439 F C 2.092 177.785 175.800 -0.179 0.000 1.097 439 F CA 1.891 59.610 58.000 -0.469 0.000 1.264 439 F CB -0.280 38.064 39.000 -1.094 0.000 1.001 439 F HN 0.158 nan 8.300 nan 0.000 0.479 440 N N -0.187 118.358 118.700 -0.258 0.000 2.043 440 N HA -0.272 3.919 4.740 -0.915 0.000 0.193 440 N C 1.840 177.187 175.510 -0.271 0.000 1.037 440 N CA 2.236 55.106 53.050 -0.299 0.000 0.851 440 N CB -0.888 37.494 38.487 -0.175 0.000 1.027 440 N HN 0.484 nan 8.380 nan 0.000 0.422 441 Y N 0.417 120.669 120.300 -0.079 0.000 2.151 441 Y HA -0.164 3.833 4.550 -0.921 0.000 0.284 441 Y C 2.272 178.127 175.900 -0.076 0.000 1.166 441 Y CA 1.319 59.391 58.100 -0.046 0.000 1.163 441 Y CB -0.179 38.366 38.460 0.142 0.000 0.974 441 Y HN 0.143 nan 8.280 nan 0.000 0.511 442 I N -1.464 119.158 120.570 0.087 0.000 2.202 442 I HA -0.336 3.286 4.170 -0.915 0.000 0.242 442 I C 2.227 178.261 176.117 -0.137 0.000 1.091 442 I CA 0.958 62.252 61.300 -0.011 0.000 1.368 442 I CB -0.432 37.551 38.000 -0.028 0.000 1.058 442 I HN 0.304 nan 8.210 nan 0.000 0.410 443 C N 0.664 119.754 119.300 -0.350 0.000 2.422 443 C HA -0.106 3.806 4.460 -0.915 0.000 0.279 443 C C 2.529 177.423 174.990 -0.161 0.000 1.305 443 C CA 0.633 59.467 59.018 -0.306 0.000 1.757 443 C CB -1.473 25.983 27.740 -0.472 0.000 1.962 443 C HN 0.543 nan 8.230 nan 0.000 0.499 444 N N -0.031 118.559 118.700 -0.183 0.000 2.216 444 N HA -0.107 4.084 4.740 -0.915 0.000 0.183 444 N C 1.441 176.867 175.510 -0.140 0.000 1.017 444 N CA 1.183 54.122 53.050 -0.185 0.000 0.861 444 N CB -0.687 37.622 38.487 -0.297 0.000 0.986 444 N HN 0.752 nan 8.380 nan 0.000 0.428 445 H N 0.279 119.214 119.070 -0.226 0.000 2.270 445 H HA -0.007 4.001 4.556 -0.914 0.000 0.299 445 H C 1.868 177.230 175.328 0.057 0.000 1.077 445 H CA 1.620 57.613 56.048 -0.091 0.000 1.294 445 H CB 0.044 29.794 29.762 -0.021 0.000 1.371 445 H HN -0.127 nan 8.280 nan 0.000 0.491 446 V N 1.119 121.181 119.914 0.246 0.000 2.324 446 V HA -0.313 3.259 4.120 -0.915 0.000 0.250 446 V C 2.497 178.680 176.094 0.149 0.000 1.060 446 V CA 2.386 64.789 62.300 0.171 0.000 1.042 446 V CB -0.553 31.292 31.823 0.036 0.000 0.650 446 V HN 0.446 nan 8.190 nan 0.000 0.450 447 K N -1.073 119.385 120.400 0.097 0.000 2.031 447 K HA -0.210 3.561 4.320 -0.915 0.000 0.205 447 K C 2.289 178.950 176.600 0.102 0.000 1.049 447 K CA 1.725 58.055 56.287 0.071 0.000 0.939 447 K CB -0.343 32.175 32.500 0.031 0.000 0.717 447 K HN 0.519 nan 8.250 nan 0.000 0.438 448 Y N 0.743 121.059 120.300 0.027 0.000 2.165 448 Y HA -0.234 3.766 4.550 -0.916 0.000 0.286 448 Y C 1.893 177.852 175.900 0.098 0.000 1.155 448 Y CA 1.893 60.034 58.100 0.067 0.000 1.164 448 Y CB -0.208 38.319 38.460 0.111 0.000 0.978 448 Y HN 0.173 nan 8.280 nan 0.000 0.513 449 A N -1.152 121.845 122.820 0.295 0.000 1.970 449 A HA -0.051 3.720 4.320 -0.915 0.000 0.216 449 A C 2.156 179.814 177.584 0.123 0.000 1.170 449 A CA 1.676 53.851 52.037 0.231 0.000 0.645 449 A CB -1.048 18.151 19.000 0.333 0.000 0.816 449 A HN 0.479 nan 8.150 nan 0.000 0.447 450 T N -0.082 114.539 114.554 0.112 0.000 2.701 450 T HA -0.104 3.697 4.350 -0.915 0.000 0.263 450 T C 1.101 175.812 174.700 0.019 0.000 1.040 450 T CA 1.441 63.592 62.100 0.084 0.000 1.147 450 T CB -0.368 68.548 68.868 0.081 0.000 0.865 450 T HN 0.637 nan 8.240 nan 0.000 0.426 451 N N 0.914 119.597 118.700 -0.027 0.000 2.735 451 N HA -0.222 3.970 4.740 -0.915 0.000 0.248 451 N C -0.304 175.177 175.510 -0.048 0.000 1.083 451 N CA 0.879 53.881 53.050 -0.079 0.000 0.703 451 N CB -1.629 36.771 38.487 -0.145 0.000 1.005 451 N HN 0.614 nan 8.380 nan 0.000 0.550 452 K N -2.883 117.502 120.400 -0.025 0.000 3.160 452 K HA -0.214 3.558 4.320 -0.915 0.000 0.280 452 K C 1.006 177.589 176.600 -0.028 0.000 1.154 452 K CA 1.061 57.334 56.287 -0.023 0.000 0.822 452 K CB -1.780 30.703 32.500 -0.029 0.000 1.239 452 K HN 0.997 nan 8.250 nan 0.000 0.489 453 G N 0.673 109.461 108.800 -0.019 0.000 2.253 453 G HA2 -0.288 3.123 3.960 -0.915 0.000 0.209 453 G HA3 -0.288 3.123 3.960 -0.915 0.000 0.209 453 G C -0.178 174.703 174.900 -0.031 0.000 0.997 453 G CA 0.071 45.157 45.100 -0.022 0.000 0.640 453 G HN 0.436 nan 8.290 nan 0.000 0.496 454 N N 1.423 120.094 118.700 -0.048 0.000 3.229 454 N HA 0.455 4.646 4.740 -0.915 0.000 0.275 454 N C 0.563 176.036 175.510 -0.062 0.000 1.225 454 N CA -0.475 52.528 53.050 -0.079 0.000 1.119 454 N CB -0.133 38.306 38.487 -0.081 0.000 1.392 454 N HN 0.353 nan 8.380 nan 0.000 0.520 455 L N 1.809 123.017 121.223 -0.026 0.000 2.483 455 L HA 0.229 4.021 4.340 -0.915 0.000 0.276 455 L C 0.585 177.574 176.870 0.199 0.000 1.213 455 L CA 0.117 55.026 54.840 0.115 0.000 0.843 455 L CB 0.401 42.615 42.059 0.258 0.000 1.107 455 L HN 0.336 nan 8.230 nan 0.000 0.487 456 R N 1.018 121.668 120.500 0.250 0.000 2.628 456 R HA 0.354 4.145 4.340 -0.915 0.000 0.288 456 R C -0.862 175.637 176.300 0.332 0.000 0.980 456 R CA -0.719 55.561 56.100 0.300 0.000 0.891 456 R CB 2.104 32.470 30.300 0.111 0.000 1.188 456 R HN 0.551 nan 8.270 nan 0.000 0.450 457 S N 1.298 117.185 115.700 0.312 0.000 2.549 457 S HA 0.403 4.325 4.470 -0.915 0.000 0.286 457 S C -0.335 174.325 174.600 0.101 0.000 1.314 457 S CA 0.020 58.298 58.200 0.129 0.000 1.062 457 S CB 0.928 64.192 63.200 0.108 0.000 0.865 457 S HN 0.660 nan 8.310 nan 0.000 0.498 458 A N 2.858 125.686 122.820 0.013 0.000 2.612 458 A HA 0.809 4.581 4.320 -0.915 0.000 0.293 458 A C -1.260 176.341 177.584 0.029 0.000 1.075 458 A CA -0.654 51.320 52.037 -0.106 0.000 0.680 458 A CB 1.149 19.985 19.000 -0.274 0.000 1.279 458 A HN 0.789 nan 8.150 nan 0.000 0.411 459 I N 0.314 120.897 120.570 0.021 0.000 2.686 459 I HA 0.693 4.314 4.170 -0.915 0.000 0.295 459 I C -1.069 175.168 176.117 0.200 0.000 1.114 459 I CA -0.129 61.309 61.300 0.230 0.000 1.038 459 I CB 2.459 40.526 38.000 0.110 0.000 1.238 459 I HN 0.603 nan 8.210 nan 0.000 0.420 460 T N 7.645 122.355 114.554 0.259 0.000 2.792 460 T HA 0.575 4.377 4.350 -0.915 0.000 0.280 460 T C -0.443 174.080 174.700 -0.295 0.000 0.990 460 T CA -0.240 61.870 62.100 0.018 0.000 0.960 460 T CB 1.027 69.936 68.868 0.068 0.000 0.939 460 T HN 0.305 nan 8.240 nan 0.000 0.439 461 I N 4.096 124.371 120.570 -0.492 0.000 2.359 461 I HA 0.386 4.007 4.170 -0.915 0.000 0.284 461 I C -0.410 175.306 176.117 -0.669 0.000 1.018 461 I CA -0.679 60.324 61.300 -0.496 0.000 1.173 461 I CB 0.587 38.283 38.000 -0.507 0.000 1.326 461 I HN 0.467 nan 8.210 nan 0.000 0.462 462 F N 6.812 126.658 119.950 -0.174 0.000 2.390 462 F HA 0.375 4.359 4.527 -0.904 0.000 0.307 462 F C -1.824 173.816 175.800 -0.266 0.000 1.227 462 F CA -2.075 55.743 58.000 -0.303 0.000 1.179 462 F CB -0.294 38.561 39.000 -0.242 0.000 1.280 462 F HN 0.219 nan 8.300 nan 0.000 0.548 463 P HA 0.043 nan 4.420 nan 0.000 0.269 463 P C -1.038 176.264 177.300 0.004 0.000 1.215 463 P CA -0.400 62.569 63.100 -0.218 0.000 0.780 463 P CB 0.327 31.793 31.700 -0.391 0.000 0.898 464 Q N 2.837 122.615 119.800 -0.038 0.000 2.417 464 Q HA 0.150 3.942 4.340 -0.915 0.000 0.241 464 Q C 0.270 176.189 176.000 -0.136 0.000 1.008 464 Q CA -0.610 54.977 55.803 -0.360 0.000 0.901 464 Q CB 0.778 28.991 28.738 -0.875 0.000 1.259 464 Q HN 0.406 nan 8.270 nan 0.000 0.489 465 R N 0.388 120.802 120.500 -0.144 0.000 2.784 465 R HA 0.089 3.881 4.340 -0.915 0.000 0.266 465 R C -0.157 176.095 176.300 -0.081 0.000 1.044 465 R CA 0.780 56.856 56.100 -0.040 0.000 1.151 465 R CB 0.533 30.806 30.300 -0.046 0.000 1.037 465 R HN 0.957 nan 8.270 nan 0.000 0.478 466 T N -1.777 112.749 114.554 -0.047 0.000 3.429 466 T HA 0.036 3.837 4.350 -0.915 0.000 0.212 466 T C 0.704 175.346 174.700 -0.097 0.000 0.980 466 T CA 0.207 62.258 62.100 -0.082 0.000 1.201 466 T CB -0.342 68.470 68.868 -0.093 0.000 1.289 466 T HN 0.733 nan 8.240 nan 0.000 0.346 467 D N 0.970 121.290 120.400 -0.134 0.000 2.395 467 D HA 0.343 4.434 4.640 -0.915 0.000 0.213 467 D C 1.631 177.901 176.300 -0.050 0.000 1.110 467 D CA 0.445 54.379 54.000 -0.110 0.000 0.835 467 D CB -0.361 40.335 40.800 -0.173 0.000 0.965 467 D HN 0.888 nan 8.370 nan 0.000 0.505 468 G N 0.764 109.553 108.800 -0.019 0.000 2.196 468 G HA2 -0.424 2.987 3.960 -0.915 0.000 0.268 468 G HA3 -0.424 2.987 3.960 -0.915 0.000 0.268 468 G C 1.223 176.159 174.900 0.060 0.000 0.975 468 G CA 0.808 45.919 45.100 0.019 0.000 0.648 468 G HN 0.373 nan 8.290 nan 0.000 0.538 469 K N -0.300 120.163 120.400 0.104 0.000 2.393 469 K HA 0.274 4.045 4.320 -0.915 0.000 0.193 469 K C 0.767 177.604 176.600 0.395 0.000 1.026 469 K CA 0.425 56.845 56.287 0.223 0.000 1.064 469 K CB 0.149 32.797 32.500 0.246 0.000 0.833 469 K HN 0.543 nan 8.250 nan 0.000 0.521 470 H N -0.365 118.711 119.070 0.010 0.000 2.562 470 H HA 0.277 4.286 4.556 -0.912 0.000 0.249 470 H C -1.074 174.250 175.328 -0.007 0.000 1.195 470 H CA -1.184 54.860 56.048 -0.006 0.000 0.938 470 H CB -0.076 29.704 29.762 0.031 0.000 1.891 470 H HN -0.051 nan 8.280 nan 0.000 0.595 471 D N 0.196 120.657 120.400 0.102 0.000 2.302 471 D HA 0.117 4.208 4.640 -0.915 0.000 0.248 471 D C 0.019 176.337 176.300 0.030 0.000 1.094 471 D CA -0.018 54.057 54.000 0.125 0.000 0.897 471 D CB 0.687 41.544 40.800 0.096 0.000 1.200 471 D HN 0.044 nan 8.370 nan 0.000 0.429 472 F N 2.126 122.120 119.950 0.075 0.000 2.396 472 F HA 0.418 4.391 4.527 -0.923 0.000 0.343 472 F C 0.949 176.784 175.800 0.058 0.000 1.104 472 F CA -0.217 57.812 58.000 0.048 0.000 1.161 472 F CB 0.769 39.809 39.000 0.067 0.000 1.146 472 F HN -0.155 nan 8.300 nan 0.000 0.522 473 R N 1.973 122.581 120.500 0.181 0.000 2.548 473 R HA 0.421 4.212 4.340 -0.915 0.000 0.280 473 R C -1.747 174.686 176.300 0.223 0.000 1.061 473 R CA -0.863 55.350 56.100 0.189 0.000 0.915 473 R CB 1.881 32.288 30.300 0.178 0.000 1.210 473 R HN 0.370 nan 8.270 nan 0.000 0.442 474 V N 3.587 123.608 119.914 0.179 0.000 2.385 474 V HA 0.128 3.699 4.120 -0.915 0.000 0.269 474 V C 0.520 176.791 176.094 0.295 0.000 1.043 474 V CA -0.334 62.077 62.300 0.184 0.000 0.906 474 V CB 0.993 32.861 31.823 0.075 0.000 0.995 474 V HN 0.726 nan 8.190 nan 0.000 0.467 475 W N 2.459 123.816 121.300 0.095 0.000 2.436 475 W HA -0.000 4.127 4.660 -0.888 0.000 0.284 475 W C 1.153 177.689 176.519 0.028 0.000 1.225 475 W CA -0.203 57.278 57.345 0.226 0.000 1.271 475 W CB -0.663 29.088 29.460 0.484 0.000 1.114 475 W HN 0.540 nan 8.180 nan 0.000 0.559 476 N N 0.109 118.810 118.700 0.002 0.000 2.345 476 N HA -0.038 4.153 4.740 -0.915 0.000 0.243 476 N C 1.346 176.641 175.510 -0.357 0.000 1.246 476 N CA 1.061 53.733 53.050 -0.630 0.000 0.863 476 N CB 0.479 38.769 38.487 -0.328 0.000 1.096 476 N HN -0.051 nan 8.380 nan 0.000 0.446 477 S N 0.483 115.942 115.700 -0.402 0.000 2.439 477 S HA 0.022 3.943 4.470 -0.915 0.000 0.224 477 S C 0.273 174.758 174.600 -0.191 0.000 1.029 477 S CA 0.393 58.467 58.200 -0.209 0.000 0.946 477 S CB 0.113 63.234 63.200 -0.131 0.000 0.797 477 S HN 0.645 nan 8.310 nan 0.000 0.504 478 Q N -0.409 119.261 119.800 -0.216 0.000 2.433 478 Q HA 0.525 4.317 4.340 -0.915 0.000 0.279 478 Q C 0.359 176.215 176.000 -0.241 0.000 1.105 478 Q CA -0.617 55.059 55.803 -0.212 0.000 0.815 478 Q CB 1.952 30.605 28.738 -0.141 0.000 1.403 478 Q HN 0.095 nan 8.270 nan 0.000 0.435 479 L N 0.419 121.501 121.223 -0.234 0.000 2.017 479 L HA -0.036 3.756 4.340 -0.915 0.000 0.208 479 L C 0.589 177.308 176.870 -0.251 0.000 1.073 479 L CA 1.395 56.112 54.840 -0.206 0.000 0.745 479 L CB -0.024 41.913 42.059 -0.203 0.000 0.894 479 L HN 0.525 nan 8.230 nan 0.000 0.432 480 I N -0.126 120.215 120.570 -0.382 0.000 2.382 480 I HA 0.318 3.939 4.170 -0.915 0.000 0.285 480 I C -0.153 175.338 176.117 -1.044 0.000 1.007 480 I CA -0.189 60.722 61.300 -0.648 0.000 1.142 480 I CB 1.406 38.988 38.000 -0.697 0.000 1.289 480 I HN 0.096 nan 8.210 nan 0.000 0.453 481 R N 4.231 124.271 120.500 -0.766 0.000 2.710 481 R HA 0.494 4.286 4.340 -0.915 0.000 0.270 481 R C -1.630 174.432 176.300 -0.397 0.000 1.021 481 R CA -0.913 54.812 56.100 -0.625 0.000 0.889 481 R CB 2.550 32.713 30.300 -0.227 0.000 1.243 481 R HN 0.373 nan 8.270 nan 0.000 0.464 482 Y N 0.515 120.832 120.300 0.027 0.000 2.299 482 Y HA 0.413 4.415 4.550 -0.914 0.000 0.326 482 Y C 0.899 176.870 175.900 0.118 0.000 1.164 482 Y CA -0.694 57.488 58.100 0.137 0.000 1.234 482 Y CB 1.422 40.055 38.460 0.288 0.000 1.219 482 Y HN 0.606 nan 8.280 nan 0.000 0.497 483 A N 1.801 124.794 122.820 0.287 0.000 2.448 483 A HA 0.525 4.296 4.320 -0.915 0.000 0.239 483 A C 0.470 177.965 177.584 -0.149 0.000 1.080 483 A CA 0.305 52.346 52.037 0.008 0.000 0.779 483 A CB -0.226 18.752 19.000 -0.036 0.000 1.026 483 A HN 0.898 nan 8.150 nan 0.000 0.499 484 G N -0.152 108.441 108.800 -0.346 0.000 2.626 484 G HA2 0.571 3.982 3.960 -0.915 0.000 0.304 484 G HA3 0.571 3.982 3.960 -0.915 0.000 0.304 484 G C -1.342 173.322 174.900 -0.393 0.000 1.385 484 G CA -0.265 44.672 45.100 -0.271 0.000 0.957 484 G HN 0.533 nan 8.290 nan 0.000 0.504 485 Y N 1.523 121.849 120.300 0.044 0.000 2.331 485 Y HA 0.405 4.405 4.550 -0.916 0.000 0.334 485 Y C 0.719 176.624 175.900 0.008 0.000 0.960 485 Y CA -1.022 57.097 58.100 0.032 0.000 1.130 485 Y CB 2.054 40.530 38.460 0.028 0.000 1.164 485 Y HN 0.248 nan 8.280 nan 0.000 0.458 486 K N 3.486 123.966 120.400 0.134 0.000 2.326 486 K HA 0.216 3.987 4.320 -0.915 0.000 0.275 486 K C -0.428 176.217 176.600 0.075 0.000 1.018 486 K CA -0.206 56.129 56.287 0.078 0.000 0.962 486 K CB 0.845 33.374 32.500 0.048 0.000 0.953 486 K HN 0.726 nan 8.250 nan 0.000 0.475 487 Q N 1.830 121.659 119.800 0.048 0.000 2.445 487 Q HA 0.222 4.013 4.340 -0.915 0.000 0.281 487 Q C -1.586 174.422 176.000 0.013 0.000 1.101 487 Q CA -1.958 53.861 55.803 0.028 0.000 0.833 487 Q CB 1.588 30.340 28.738 0.022 0.000 1.416 487 Q HN 0.345 nan 8.270 nan 0.000 0.451 488 P HA -0.171 nan 4.420 nan 0.000 0.220 488 P C 0.315 177.614 177.300 -0.000 0.000 1.148 488 P CA 1.395 64.494 63.100 -0.001 0.000 0.803 488 P CB 0.225 31.920 31.700 -0.009 0.000 0.782 489 D N -1.413 118.987 120.400 0.000 0.000 2.347 489 D HA 0.059 4.151 4.640 -0.915 0.000 0.213 489 D C 1.579 177.881 176.300 0.003 0.000 0.985 489 D CA 1.100 55.100 54.000 -0.000 0.000 0.879 489 D CB -0.396 40.403 40.800 -0.001 0.000 0.919 489 D HN 0.308 nan 8.370 nan 0.000 0.526 490 G N -0.069 108.734 108.800 0.006 0.000 2.612 490 G HA2 -0.225 3.186 3.960 -0.915 0.000 0.200 490 G HA3 -0.225 3.186 3.960 -0.915 0.000 0.200 490 G C 0.565 175.472 174.900 0.011 0.000 1.053 490 G CA 0.300 45.405 45.100 0.008 0.000 0.707 490 G HN 0.772 nan 8.290 nan 0.000 0.497 491 S N -0.014 115.693 115.700 0.011 0.000 2.607 491 S HA 0.729 4.650 4.470 -0.915 0.000 0.272 491 S C -0.011 174.599 174.600 0.016 0.000 1.166 491 S CA 0.827 59.034 58.200 0.011 0.000 1.021 491 S CB 1.655 64.861 63.200 0.009 0.000 1.113 491 S HN 0.741 nan 8.310 nan 0.000 0.531 492 T N 1.414 115.974 114.554 0.010 0.000 2.812 492 T HA 0.542 4.343 4.350 -0.915 0.000 0.282 492 T C -1.072 173.634 174.700 0.011 0.000 0.990 492 T CA -0.451 61.657 62.100 0.013 0.000 0.960 492 T CB 1.119 69.980 68.868 -0.011 0.000 0.948 492 T HN 0.553 nan 8.240 nan 0.000 0.438 493 L N 3.622 124.882 121.223 0.062 0.000 2.307 493 L HA 0.774 4.566 4.340 -0.915 0.000 0.282 493 L C 0.769 177.704 176.870 0.108 0.000 1.051 493 L CA 1.220 56.106 54.840 0.077 0.000 0.804 493 L CB 0.115 42.231 42.059 0.094 0.000 1.197 493 L HN 0.976 nan 8.230 nan 0.000 0.431 494 G N 3.918 112.722 108.800 0.007 0.000 2.488 494 G HA2 -0.220 3.192 3.960 -0.915 0.000 0.237 494 G HA3 -0.220 3.192 3.960 -0.915 0.000 0.237 494 G C -0.749 173.853 174.900 -0.497 0.000 1.209 494 G CA 0.040 45.113 45.100 -0.045 0.000 0.929 494 G HN 0.821 nan 8.290 nan 0.000 0.578 495 D N 1.637 121.872 120.400 -0.275 0.000 2.412 495 D HA 0.558 4.649 4.640 -0.915 0.000 0.224 495 D C -1.008 175.214 176.300 -0.131 0.000 1.093 495 D CA -1.942 51.865 54.000 -0.321 0.000 0.850 495 D CB 1.419 42.344 40.800 0.208 0.000 1.046 495 D HN -0.025 nan 8.370 nan 0.000 0.507 496 P HA -0.141 nan 4.420 nan 0.000 0.217 496 P C 1.020 178.327 177.300 0.013 0.000 1.148 496 P CA 1.151 64.219 63.100 -0.053 0.000 0.828 496 P CB 0.254 31.924 31.700 -0.050 0.000 0.783 497 A N -0.376 122.474 122.820 0.050 0.000 1.978 497 A HA -0.182 3.590 4.320 -0.915 0.000 0.220 497 A C 1.805 179.448 177.584 0.099 0.000 1.170 497 A CA 1.645 53.735 52.037 0.089 0.000 0.636 497 A CB -0.991 18.087 19.000 0.130 0.000 0.810 497 A HN 0.182 nan 8.150 nan 0.000 0.448 498 N N -0.431 118.324 118.700 0.092 0.000 2.235 498 N HA 0.121 4.312 4.740 -0.915 0.000 0.209 498 N C 1.201 176.759 175.510 0.080 0.000 1.122 498 N CA 0.320 53.438 53.050 0.113 0.000 0.845 498 N CB 0.537 39.096 38.487 0.120 0.000 1.004 498 N HN 0.226 nan 8.380 nan 0.000 0.499 499 V N 1.165 121.101 119.914 0.036 0.000 2.287 499 V HA -0.269 3.303 4.120 -0.915 0.000 0.248 499 V C 2.588 178.675 176.094 -0.011 0.000 1.053 499 V CA 1.822 64.117 62.300 -0.009 0.000 1.027 499 V CB -0.380 31.444 31.823 0.001 0.000 0.646 499 V HN 0.377 nan 8.190 nan 0.000 0.447 500 Q N -1.113 118.698 119.800 0.018 0.000 2.119 500 Q HA -0.213 3.578 4.340 -0.915 0.000 0.201 500 Q C 2.135 178.049 176.000 -0.144 0.000 0.972 500 Q CA 1.863 57.638 55.803 -0.047 0.000 0.847 500 Q CB -0.153 28.586 28.738 0.003 0.000 0.903 500 Q HN 0.641 nan 8.270 nan 0.000 0.433 501 F N 0.764 120.591 119.950 -0.204 0.000 2.186 501 F HA -0.124 3.850 4.527 -0.922 0.000 0.299 501 F C 2.022 177.724 175.800 -0.163 0.000 1.090 501 F CA 1.775 59.635 58.000 -0.234 0.000 1.307 501 F CB -0.408 38.555 39.000 -0.062 0.000 1.019 501 F HN -0.007 nan 8.300 nan 0.000 0.489 502 T N -0.011 114.484 114.554 -0.099 0.000 2.759 502 T HA -0.221 3.580 4.350 -0.915 0.000 0.269 502 T C 1.692 176.317 174.700 -0.126 0.000 1.042 502 T CA 1.857 63.864 62.100 -0.155 0.000 1.140 502 T CB -0.344 68.418 68.868 -0.176 0.000 0.864 502 T HN 0.354 nan 8.240 nan 0.000 0.455 503 E N 0.541 120.666 120.200 -0.124 0.000 2.077 503 E HA -0.047 3.754 4.350 -0.915 0.000 0.193 503 E C 2.125 178.635 176.600 -0.150 0.000 0.989 503 E CA 0.902 57.245 56.400 -0.095 0.000 0.800 503 E CB -0.272 29.375 29.700 -0.087 0.000 0.746 503 E HN 0.497 nan 8.360 nan 0.000 0.452 504 I N 0.413 120.822 120.570 -0.268 0.000 2.286 504 I HA -0.320 3.301 4.170 -0.915 0.000 0.248 504 I C 2.252 178.195 176.117 -0.290 0.000 1.115 504 I CA 0.518 61.649 61.300 -0.282 0.000 1.392 504 I CB -0.349 37.440 38.000 -0.352 0.000 1.065 504 I HN 0.282 nan 8.210 nan 0.000 0.418 505 C N 1.047 120.105 119.300 -0.404 0.000 2.432 505 C HA -0.142 3.769 4.460 -0.915 0.000 0.277 505 C C 2.748 177.724 174.990 -0.023 0.000 1.249 505 C CA 0.723 59.558 59.018 -0.305 0.000 1.725 505 C CB -0.826 26.663 27.740 -0.419 0.000 2.028 505 C HN 0.439 nan 8.230 nan 0.000 0.477 506 I N 0.503 121.109 120.570 0.060 0.000 2.315 506 I HA -0.232 3.389 4.170 -0.915 0.000 0.248 506 I C 2.678 178.787 176.117 -0.014 0.000 1.117 506 I CA 1.490 62.841 61.300 0.084 0.000 1.404 506 I CB -0.709 37.342 38.000 0.086 0.000 1.071 506 I HN 0.444 nan 8.210 nan 0.000 0.419 507 Q N 0.619 120.382 119.800 -0.063 0.000 2.291 507 Q HA -0.187 3.604 4.340 -0.915 0.000 0.205 507 Q C 1.929 177.856 176.000 -0.122 0.000 0.970 507 Q CA 1.048 56.794 55.803 -0.095 0.000 0.876 507 Q CB 0.208 28.880 28.738 -0.110 0.000 0.935 507 Q HN 0.466 nan 8.270 nan 0.000 0.455 508 Q N -1.508 118.216 119.800 -0.126 0.000 2.392 508 Q HA 0.134 3.925 4.340 -0.915 0.000 0.203 508 Q C 0.817 176.751 176.000 -0.109 0.000 0.917 508 Q CA 0.945 56.662 55.803 -0.144 0.000 0.939 508 Q CB 1.603 30.227 28.738 -0.189 0.000 1.063 508 Q HN 0.563 nan 8.270 nan 0.000 0.516 509 G N -0.430 108.336 108.800 -0.056 0.000 2.425 509 G HA2 -0.179 3.233 3.960 -0.915 0.000 0.177 509 G HA3 -0.179 3.233 3.960 -0.915 0.000 0.177 509 G C -0.567 174.360 174.900 0.045 0.000 0.999 509 G CA -0.494 44.587 45.100 -0.031 0.000 0.723 509 G HN 0.217 nan 8.290 nan 0.000 0.491 510 W N 4.751 125.975 121.300 -0.127 0.000 2.347 510 W HA 0.486 4.593 4.660 -0.921 0.000 0.333 510 W C 0.975 177.460 176.519 -0.057 0.000 1.383 510 W CA -0.360 56.927 57.345 -0.096 0.000 1.283 510 W CB 0.549 29.951 29.460 -0.097 0.000 1.253 510 W HN 0.297 nan 8.180 nan 0.000 0.563 511 K N 5.555 125.749 120.400 -0.343 0.000 2.310 511 K HA 0.612 4.384 4.320 -0.915 0.000 0.290 511 K C -0.251 175.660 176.600 -1.149 0.000 1.077 511 K CA -0.489 55.496 56.287 -0.504 0.000 0.922 511 K CB 0.554 32.868 32.500 -0.309 0.000 1.057 511 K HN 0.406 nan 8.250 nan 0.000 0.479 512 A N 4.634 126.853 122.820 -1.001 0.000 2.301 512 A HA 0.329 4.101 4.320 -0.915 0.000 0.298 512 A C -1.436 175.786 177.584 -0.603 0.000 1.185 512 A CA -1.560 49.738 52.037 -1.232 0.000 0.830 512 A CB 0.323 19.017 19.000 -0.511 0.000 1.112 512 A HN 0.742 nan 8.150 nan 0.000 0.508 513 P HA -0.001 nan 4.420 nan 0.000 0.241 513 P C -0.039 177.108 177.300 -0.255 0.000 1.191 513 P CA -0.035 62.924 63.100 -0.235 0.000 0.771 513 P CB 0.060 31.707 31.700 -0.089 0.000 0.929 514 R N -0.632 119.607 120.500 -0.435 0.000 3.333 514 R HA -0.111 3.681 4.340 -0.915 0.000 0.256 514 R C 0.739 176.773 176.300 -0.444 0.000 1.010 514 R CA 0.372 55.944 56.100 -0.879 0.000 0.680 514 R CB -2.211 27.665 30.300 -0.706 0.000 1.102 514 R HN 0.384 nan 8.270 nan 0.000 0.440 515 G N -0.829 107.893 108.800 -0.130 0.000 2.753 515 G HA2 0.367 3.779 3.960 -0.915 0.000 0.285 515 G HA3 0.367 3.779 3.960 -0.915 0.000 0.285 515 G C 0.353 175.325 174.900 0.120 0.000 1.344 515 G CA -0.567 44.543 45.100 0.016 0.000 1.050 515 G HN 0.181 nan 8.290 nan 0.000 0.532 516 R N -1.488 119.034 120.500 0.038 0.000 2.090 516 R HA 0.093 3.884 4.340 -0.915 0.000 0.228 516 R C 0.132 176.155 176.300 -0.462 0.000 1.110 516 R CA 0.963 56.960 56.100 -0.173 0.000 0.973 516 R CB -0.124 30.028 30.300 -0.247 0.000 0.869 516 R HN 0.386 nan 8.270 nan 0.000 0.440 517 F N 0.893 120.865 119.950 0.036 0.000 2.577 517 F HA 0.243 4.220 4.527 -0.917 0.000 0.342 517 F C -1.112 174.732 175.800 0.074 0.000 1.479 517 F CA -1.071 56.739 58.000 -0.317 0.000 1.110 517 F CB 0.922 39.536 39.000 -0.644 0.000 1.306 517 F HN -0.235 nan 8.300 nan 0.000 0.554 518 D N 1.615 122.272 120.400 0.428 0.000 2.365 518 D HA 0.151 4.242 4.640 -0.915 0.000 0.237 518 D C 0.261 176.903 176.300 0.571 0.000 1.190 518 D CA 0.033 54.340 54.000 0.513 0.000 0.867 518 D CB 1.535 42.686 40.800 0.586 0.000 1.050 518 D HN -0.041 nan 8.370 nan 0.000 0.491 519 V N 3.825 124.034 119.914 0.491 0.000 2.506 519 V HA -0.125 3.447 4.120 -0.915 0.000 0.296 519 V C 1.140 177.317 176.094 0.139 0.000 1.004 519 V CA 0.104 62.546 62.300 0.237 0.000 1.150 519 V CB -0.354 31.554 31.823 0.141 0.000 0.911 519 V HN 0.392 nan 8.190 nan 0.000 0.476 520 L N 8.691 129.893 121.223 -0.034 0.000 2.483 520 L HA 0.236 4.027 4.340 -0.915 0.000 0.275 520 L C -1.606 175.083 176.870 -0.302 0.000 1.220 520 L CA -1.151 53.527 54.840 -0.270 0.000 0.833 520 L CB 0.418 42.414 42.059 -0.106 0.000 1.102 520 L HN 0.483 nan 8.230 nan 0.000 0.490 521 P HA 0.230 nan 4.420 nan 0.000 0.279 521 P C -0.946 176.277 177.300 -0.129 0.000 1.252 521 P CA -0.571 62.319 63.100 -0.349 0.000 0.811 521 P CB 0.907 32.229 31.700 -0.629 0.000 1.035 522 L N 1.549 122.786 121.223 0.024 0.000 2.397 522 L HA 0.309 4.100 4.340 -0.915 0.000 0.271 522 L C 0.723 177.668 176.870 0.126 0.000 1.148 522 L CA -0.259 54.658 54.840 0.128 0.000 0.825 522 L CB 0.068 42.244 42.059 0.195 0.000 1.117 522 L HN 0.254 nan 8.230 nan 0.000 0.456 523 L N 4.936 126.263 121.223 0.174 0.000 2.377 523 L HA 0.502 4.293 4.340 -0.915 0.000 0.270 523 L C -1.049 175.813 176.870 -0.014 0.000 0.991 523 L CA -0.299 54.553 54.840 0.021 0.000 0.851 523 L CB 1.009 43.099 42.059 0.051 0.000 1.218 523 L HN 0.517 nan 8.230 nan 0.000 0.420 524 L N 4.261 125.468 121.223 -0.027 0.000 2.341 524 L HA 0.515 4.306 4.340 -0.915 0.000 0.278 524 L C -0.446 176.354 176.870 -0.117 0.000 1.005 524 L CA -0.463 54.371 54.840 -0.010 0.000 0.818 524 L CB 2.050 44.146 42.059 0.061 0.000 1.259 524 L HN 0.550 nan 8.230 nan 0.000 0.418 525 Q N 2.829 122.568 119.800 -0.102 0.000 2.357 525 Q HA 0.667 4.458 4.340 -0.915 0.000 0.266 525 Q C -1.320 174.542 176.000 -0.231 0.000 1.021 525 Q CA -0.577 55.133 55.803 -0.155 0.000 0.784 525 Q CB 2.054 30.766 28.738 -0.043 0.000 1.243 525 Q HN 0.780 nan 8.270 nan 0.000 0.465 526 A N 4.242 126.865 122.820 -0.328 0.000 2.304 526 A HA 0.336 4.107 4.320 -0.915 0.000 0.323 526 A C 0.372 177.474 177.584 -0.803 0.000 1.195 526 A CA -0.361 51.267 52.037 -0.682 0.000 0.826 526 A CB 0.618 19.476 19.000 -0.237 0.000 1.184 526 A HN 1.089 nan 8.150 nan 0.000 0.496 527 N N 0.923 118.708 118.700 -1.525 0.000 2.696 527 N HA -0.266 3.925 4.740 -0.915 0.000 0.249 527 N C 0.977 176.254 175.510 -0.387 0.000 1.090 527 N CA 1.673 54.282 53.050 -0.735 0.000 0.716 527 N CB -0.652 37.637 38.487 -0.330 0.000 1.020 527 N HN 2.133 nan 8.380 nan 0.000 0.548 528 G N -1.464 107.143 108.800 -0.322 0.000 2.176 528 G HA2 -0.280 3.132 3.960 -0.915 0.000 0.253 528 G HA3 -0.280 3.132 3.960 -0.915 0.000 0.253 528 G C 0.123 174.984 174.900 -0.064 0.000 0.979 528 G CA 0.347 45.371 45.100 -0.127 0.000 0.641 528 G HN 0.537 nan 8.290 nan 0.000 0.530 529 N N 1.281 119.895 118.700 -0.145 0.000 2.381 529 N HA 0.308 4.499 4.740 -0.915 0.000 0.254 529 N C 0.009 175.484 175.510 -0.059 0.000 1.264 529 N CA -0.327 52.686 53.050 -0.061 0.000 0.942 529 N CB 0.310 38.746 38.487 -0.086 0.000 1.190 529 N HN 0.184 nan 8.380 nan 0.000 0.495 530 D N 1.270 121.707 120.400 0.063 0.000 2.515 530 D HA 0.042 4.133 4.640 -0.915 0.000 0.232 530 D C -1.822 174.377 176.300 -0.169 0.000 1.157 530 D CA -0.136 53.891 54.000 0.046 0.000 0.871 530 D CB 0.042 40.988 40.800 0.245 0.000 1.200 530 D HN 0.300 nan 8.370 nan 0.000 0.466 531 P HA 0.223 nan 4.420 nan 0.000 0.276 531 P C -0.679 176.415 177.300 -0.344 0.000 1.252 531 P CA -0.362 62.448 63.100 -0.484 0.000 0.802 531 P CB 1.261 32.268 31.700 -1.154 0.000 1.035 532 E N 0.186 120.214 120.200 -0.287 0.000 2.288 532 E HA 0.456 4.257 4.350 -0.915 0.000 0.268 532 E C -0.644 175.676 176.600 -0.467 0.000 0.885 532 E CA -0.979 55.209 56.400 -0.355 0.000 0.767 532 E CB 1.804 31.283 29.700 -0.370 0.000 1.220 532 E HN 0.347 nan 8.360 nan 0.000 0.427 533 L N 2.718 123.582 121.223 -0.598 0.000 2.350 533 L HA 0.467 4.258 4.340 -0.915 0.000 0.275 533 L C -0.964 175.377 176.870 -0.881 0.000 1.099 533 L CA -0.082 54.443 54.840 -0.525 0.000 0.808 533 L CB 0.264 42.123 42.059 -0.334 0.000 1.149 533 L HN 0.459 nan 8.230 nan 0.000 0.442 534 F N 1.108 120.891 119.950 -0.279 0.000 2.615 534 F HA 0.279 3.346 4.527 -2.432 0.000 0.312 534 F C -0.211 175.434 175.800 -0.257 0.000 1.119 534 F CA -0.730 57.015 58.000 -0.424 0.000 0.979 534 F CB 1.601 40.138 39.000 -0.772 0.000 1.266 534 F HN 0.310 nan 8.300 nan 0.000 0.444 535 Q N 3.910 123.696 119.800 -0.023 0.000 2.360 535 Q HA 0.443 4.234 4.340 -0.915 0.000 0.254 535 Q C -0.453 175.680 176.000 0.223 0.000 0.975 535 Q CA -0.540 55.321 55.803 0.097 0.000 0.912 535 Q CB 1.150 29.959 28.738 0.118 0.000 1.212 535 Q HN 0.733 nan 8.270 nan 0.000 0.452 536 I N 7.020 127.755 120.570 0.275 0.000 2.742 536 I HA -0.046 3.576 4.170 -0.915 0.000 0.287 536 I C -1.871 174.375 176.117 0.215 0.000 1.186 536 I CA -1.266 60.213 61.300 0.299 0.000 1.417 536 I CB 0.109 38.195 38.000 0.144 0.000 1.377 536 I HN 0.339 nan 8.210 nan 0.000 0.556 537 P HA -0.043 nan 4.420 nan 0.000 0.258 537 P C -1.948 175.416 177.300 0.107 0.000 1.172 537 P CA -0.699 62.492 63.100 0.152 0.000 0.762 537 P CB 0.023 31.799 31.700 0.127 0.000 0.764 538 P HA -0.220 nan 4.420 nan 0.000 0.216 538 P C 1.452 178.794 177.300 0.070 0.000 1.153 538 P CA 1.484 64.638 63.100 0.090 0.000 0.858 538 P CB -0.222 31.532 31.700 0.090 0.000 0.789 539 E N 0.141 120.378 120.200 0.062 0.000 2.331 539 E HA -0.155 3.646 4.350 -0.915 0.000 0.199 539 E C 1.572 178.196 176.600 0.041 0.000 1.008 539 E CA 1.064 57.492 56.400 0.047 0.000 0.843 539 E CB -1.093 28.631 29.700 0.040 0.000 0.761 539 E HN 0.332 nan 8.360 nan 0.000 0.507 540 L N 0.815 122.065 121.223 0.046 0.000 2.529 540 L HA 0.130 3.921 4.340 -0.915 0.000 0.223 540 L C 0.550 177.444 176.870 0.040 0.000 1.113 540 L CA -0.106 54.756 54.840 0.036 0.000 0.861 540 L CB 0.623 42.697 42.059 0.025 0.000 1.012 540 L HN -0.126 nan 8.230 nan 0.000 0.461 541 V N 2.312 122.254 119.914 0.046 0.000 2.284 541 V HA 0.123 3.694 4.120 -0.915 0.000 0.260 541 V C 0.057 176.187 176.094 0.060 0.000 1.084 541 V CA -0.509 61.819 62.300 0.048 0.000 0.894 541 V CB 0.988 32.836 31.823 0.041 0.000 1.119 541 V HN 0.074 nan 8.190 nan 0.000 0.484 542 L N 5.416 126.676 121.223 0.061 0.000 2.433 542 L HA 0.391 4.182 4.340 -0.915 0.000 0.275 542 L C 0.152 177.054 176.870 0.053 0.000 1.128 542 L CA 0.816 55.681 54.840 0.042 0.000 0.875 542 L CB 0.072 42.148 42.059 0.029 0.000 1.171 542 L HN 0.642 nan 8.230 nan 0.000 0.463 543 E N 3.390 123.607 120.200 0.027 0.000 2.256 543 E HA 0.545 4.347 4.350 -0.915 0.000 0.267 543 E C -1.340 175.221 176.600 -0.065 0.000 0.892 543 E CA -0.984 55.438 56.400 0.036 0.000 0.775 543 E CB 2.423 32.183 29.700 0.099 0.000 1.207 543 E HN 0.406 nan 8.360 nan 0.000 0.420 544 V N 3.955 123.799 119.914 -0.116 0.000 2.384 544 V HA 0.313 3.884 4.120 -0.915 0.000 0.287 544 V C -2.279 173.794 176.094 -0.036 0.000 1.020 544 V CA -2.076 60.116 62.300 -0.181 0.000 0.850 544 V CB 1.204 32.735 31.823 -0.486 0.000 0.987 544 V HN 0.553 nan 8.190 nan 0.000 0.436 545 P HA 0.267 nan 4.420 nan 0.000 0.275 545 P C -0.750 176.591 177.300 0.068 0.000 1.227 545 P CA -0.223 62.883 63.100 0.009 0.000 0.781 545 P CB 0.622 32.326 31.700 0.006 0.000 0.906 546 I N 4.344 124.991 120.570 0.127 0.000 2.291 546 I HA 0.260 3.881 4.170 -0.915 0.000 0.290 546 I C 1.100 177.361 176.117 0.240 0.000 1.050 546 I CA -0.405 61.022 61.300 0.211 0.000 1.245 546 I CB -0.051 38.146 38.000 0.328 0.000 1.405 546 I HN 0.402 nan 8.210 nan 0.000 0.478 547 R N 5.512 126.103 120.500 0.153 0.000 2.923 547 R HA 0.546 4.338 4.340 -0.915 0.000 0.252 547 R C -0.977 175.289 176.300 -0.057 0.000 1.130 547 R CA -0.633 55.542 56.100 0.126 0.000 1.043 547 R CB 1.806 32.199 30.300 0.154 0.000 1.205 547 R HN 0.517 nan 8.270 nan 0.000 0.495 548 H N 1.077 119.980 119.070 -0.279 0.000 2.524 548 H HA 0.334 4.341 4.556 -0.915 0.000 0.353 548 H C -1.873 173.179 175.328 -0.460 0.000 1.136 548 H CA -2.161 53.617 56.048 -0.451 0.000 1.193 548 H CB 2.544 31.979 29.762 -0.545 0.000 1.558 548 H HN 0.335 nan 8.280 nan 0.000 0.515 549 P HA 0.035 nan 4.420 nan 0.000 0.237 549 P C 0.363 177.444 177.300 -0.365 0.000 1.178 549 P CA 0.874 63.379 63.100 -0.993 0.000 0.766 549 P CB 0.749 31.606 31.700 -1.404 0.000 0.876 550 K N -2.218 118.150 120.400 -0.054 0.000 2.548 550 K HA 0.184 3.955 4.320 -0.915 0.000 0.209 550 K C 0.010 176.367 176.600 -0.406 0.000 1.420 550 K CA -0.111 56.032 56.287 -0.239 0.000 0.985 550 K CB 0.423 32.708 32.500 -0.358 0.000 1.249 550 K HN -0.071 nan 8.250 nan 0.000 0.557 551 F N 2.821 122.590 119.950 -0.301 0.000 2.439 551 F HA 0.077 4.056 4.527 -0.915 0.000 0.356 551 F C 1.188 176.670 175.800 -0.529 0.000 1.161 551 F CA -0.382 57.229 58.000 -0.647 0.000 1.151 551 F CB 0.555 38.841 39.000 -1.191 0.000 1.222 551 F HN -0.040 nan 8.300 nan 0.000 0.558 552 D N 3.557 123.838 120.400 -0.198 0.000 2.126 552 D HA -0.246 3.845 4.640 -0.915 0.000 0.190 552 D C 2.122 178.407 176.300 -0.025 0.000 1.001 552 D CA 1.718 55.681 54.000 -0.060 0.000 0.841 552 D CB -0.138 40.695 40.800 0.055 0.000 0.949 552 D HN 0.718 nan 8.370 nan 0.000 0.446 553 W N -0.199 121.212 121.300 0.184 0.000 2.937 553 W HA 0.024 4.135 4.660 -0.915 0.000 0.245 553 W C 1.718 178.310 176.519 0.121 0.000 1.306 553 W CA -0.450 56.965 57.345 0.118 0.000 1.470 553 W CB -1.305 28.193 29.460 0.064 0.000 1.132 553 W HN -0.128 nan 8.180 nan 0.000 0.675 554 F N 3.758 123.475 119.950 -0.389 0.000 2.095 554 F HA -0.265 3.713 4.527 -0.915 0.000 0.298 554 F C 2.678 178.499 175.800 0.035 0.000 1.104 554 F CA 3.240 61.091 58.000 -0.248 0.000 1.232 554 F CB -0.124 38.640 39.000 -0.394 0.000 0.987 554 F HN -0.154 nan 8.300 nan 0.000 0.475 555 K N -0.731 119.831 120.400 0.271 0.000 2.211 555 K HA -0.200 3.572 4.320 -0.915 0.000 0.204 555 K C 1.263 177.945 176.600 0.137 0.000 1.047 555 K CA 1.841 58.248 56.287 0.200 0.000 0.935 555 K CB -0.553 32.038 32.500 0.151 0.000 0.728 555 K HN 0.178 nan 8.250 nan 0.000 0.452 556 D N 1.100 121.589 120.400 0.148 0.000 2.378 556 D HA -0.030 4.062 4.640 -0.915 0.000 0.222 556 D C 1.593 177.940 176.300 0.079 0.000 0.980 556 D CA 0.630 54.701 54.000 0.118 0.000 0.907 556 D CB 0.046 40.934 40.800 0.146 0.000 0.899 556 D HN 0.284 nan 8.370 nan 0.000 0.527 557 L N -0.430 120.820 121.223 0.045 0.000 2.376 557 L HA 0.069 3.860 4.340 -0.915 0.000 0.219 557 L C 1.581 178.477 176.870 0.042 0.000 1.133 557 L CA 0.545 55.381 54.840 -0.006 0.000 0.816 557 L CB -0.325 41.652 42.059 -0.136 0.000 0.933 557 L HN 0.048 nan 8.230 nan 0.000 0.449 558 G N 1.005 109.839 108.800 0.057 0.000 2.273 558 G HA2 -0.283 3.128 3.960 -0.915 0.000 0.280 558 G HA3 -0.283 3.128 3.960 -0.915 0.000 0.280 558 G C 0.087 175.002 174.900 0.026 0.000 1.047 558 G CA -0.088 45.051 45.100 0.065 0.000 0.869 558 G HN 0.252 nan 8.290 nan 0.000 0.502 559 L N -0.274 120.935 121.223 -0.022 0.000 2.380 559 L HA 0.599 4.390 4.340 -0.915 0.000 0.273 559 L C 0.780 177.517 176.870 -0.222 0.000 1.138 559 L CA -0.164 54.586 54.840 -0.151 0.000 0.832 559 L CB 0.986 42.963 42.059 -0.137 0.000 1.124 559 L HN 0.489 nan 8.230 nan 0.000 0.454 560 K N 2.228 122.287 120.400 -0.567 0.000 2.482 560 K HA 0.558 4.329 4.320 -0.915 0.000 0.257 560 K C -1.739 174.908 176.600 0.078 0.000 0.969 560 K CA -1.000 55.144 56.287 -0.238 0.000 0.842 560 K CB 2.610 34.917 32.500 -0.322 0.000 1.359 560 K HN 0.554 nan 8.250 nan 0.000 0.441 561 W N 2.536 123.870 121.300 0.057 0.000 3.029 561 W HA 0.366 4.480 4.660 -0.909 0.000 0.339 561 W C -1.181 175.471 176.519 0.222 0.000 1.198 561 W CA -0.944 56.513 57.345 0.187 0.000 1.148 561 W CB 1.790 31.252 29.460 0.004 0.000 1.451 561 W HN 0.723 nan 8.180 nan 0.000 0.564 562 Y N 0.102 120.332 120.300 -0.117 0.000 2.307 562 Y HA 0.557 4.562 4.550 -0.908 0.000 0.324 562 Y C 0.997 177.120 175.900 0.371 0.000 1.238 562 Y CA -0.131 57.979 58.100 0.016 0.000 1.280 562 Y CB 0.403 38.736 38.460 -0.212 0.000 1.248 562 Y HN 0.453 nan 8.280 nan 0.000 0.508 563 G N 1.506 110.538 108.800 0.387 0.000 2.623 563 G HA2 -0.002 3.410 3.960 -0.915 0.000 0.214 563 G HA3 -0.002 3.410 3.960 -0.915 0.000 0.214 563 G C -0.301 174.930 174.900 0.552 0.000 1.138 563 G CA 0.061 45.448 45.100 0.479 0.000 0.794 563 G HN 0.532 nan 8.290 nan 0.000 0.535 564 L N 2.442 123.958 121.223 0.487 0.000 2.301 564 L HA 0.481 4.272 4.340 -0.915 0.000 0.278 564 L C -2.362 174.673 176.870 0.274 0.000 1.022 564 L CA -2.621 52.409 54.840 0.316 0.000 0.854 564 L CB 1.759 43.944 42.059 0.210 0.000 1.226 564 L HN -0.191 nan 8.230 nan 0.000 0.429 565 P HA 0.390 nan 4.420 nan 0.000 0.287 565 P C -1.379 175.849 177.300 -0.120 0.000 1.281 565 P CA -0.336 62.673 63.100 -0.152 0.000 0.781 565 P CB 1.527 32.773 31.700 -0.758 0.000 0.903 566 A N 3.870 126.613 122.820 -0.129 0.000 2.599 566 A HA 0.408 4.179 4.320 -0.915 0.000 0.281 566 A C -0.670 176.684 177.584 -0.384 0.000 1.137 566 A CA -0.584 51.305 52.037 -0.247 0.000 0.767 566 A CB 0.812 19.691 19.000 -0.201 0.000 1.266 566 A HN 0.286 nan 8.150 nan 0.000 0.420 567 V N 2.805 122.316 119.914 -0.672 0.000 2.530 567 V HA 0.373 3.944 4.120 -0.915 0.000 0.282 567 V C 1.263 176.922 176.094 -0.724 0.000 1.048 567 V CA 1.038 62.916 62.300 -0.703 0.000 0.997 567 V CB 1.441 32.723 31.823 -0.902 0.000 0.987 567 V HN 1.169 nan 8.190 nan 0.000 0.477 568 S N 1.977 117.441 115.700 -0.393 0.000 2.666 568 S HA 0.053 3.975 4.470 -0.915 0.000 0.239 568 S C 0.760 175.283 174.600 -0.129 0.000 1.031 568 S CA 0.119 58.167 58.200 -0.254 0.000 1.015 568 S CB -0.304 62.784 63.200 -0.188 0.000 0.981 568 S HN 0.898 nan 8.310 nan 0.000 0.547 569 N N 0.394 119.018 118.700 -0.127 0.000 2.187 569 N HA 0.302 4.493 4.740 -0.915 0.000 0.212 569 N C 0.226 175.743 175.510 0.012 0.000 1.152 569 N CA -0.481 52.539 53.050 -0.051 0.000 0.872 569 N CB 0.139 38.584 38.487 -0.070 0.000 1.025 569 N HN 0.283 nan 8.380 nan 0.000 0.514 570 M N 1.179 120.800 119.600 0.035 0.000 2.371 570 M HA 0.340 4.271 4.480 -0.915 0.000 0.301 570 M C -0.546 175.873 176.300 0.199 0.000 1.173 570 M CA -0.760 54.620 55.300 0.133 0.000 1.020 570 M CB 1.966 34.674 32.600 0.180 0.000 1.490 570 M HN 0.101 nan 8.290 nan 0.000 0.485 571 L N 2.024 123.365 121.223 0.198 0.000 2.329 571 L HA 0.565 4.356 4.340 -0.915 0.000 0.279 571 L C -1.474 175.522 176.870 0.211 0.000 1.014 571 L CA -0.950 54.001 54.840 0.184 0.000 0.814 571 L CB 1.430 43.547 42.059 0.098 0.000 1.257 571 L HN 0.570 nan 8.230 nan 0.000 0.424 572 L N 4.640 125.991 121.223 0.212 0.000 2.272 572 L HA 0.449 4.240 4.340 -0.915 0.000 0.289 572 L C -0.518 176.397 176.870 0.074 0.000 1.032 572 L CA 0.246 55.120 54.840 0.057 0.000 0.810 572 L CB 1.321 43.410 42.059 0.050 0.000 1.205 572 L HN 0.697 nan 8.230 nan 0.000 0.422 573 E N 5.709 125.869 120.200 -0.067 0.000 2.092 573 E HA 0.449 4.250 4.350 -0.915 0.000 0.271 573 E C -1.345 175.197 176.600 -0.096 0.000 0.919 573 E CA -0.431 55.936 56.400 -0.054 0.000 0.760 573 E CB 0.847 30.508 29.700 -0.065 0.000 1.106 573 E HN 0.675 nan 8.360 nan 0.000 0.408 574 I N 2.793 123.320 120.570 -0.073 0.000 2.433 574 I HA 0.301 3.922 4.170 -0.915 0.000 0.292 574 I C 0.922 176.834 176.117 -0.341 0.000 1.001 574 I CA -0.720 60.408 61.300 -0.287 0.000 1.119 574 I CB 2.011 39.817 38.000 -0.324 0.000 1.289 574 I HN 0.788 nan 8.210 nan 0.000 0.438 575 G N 4.420 112.968 108.800 -0.420 0.000 2.451 575 G HA2 -0.096 3.316 3.960 -0.915 0.000 0.296 575 G HA3 -0.096 3.316 3.960 -0.915 0.000 0.296 575 G C 1.062 176.015 174.900 0.089 0.000 0.922 575 G CA 0.977 46.046 45.100 -0.051 0.000 1.074 575 G HN 1.539 nan 8.290 nan 0.000 0.509 576 G N -1.989 106.821 108.800 0.017 0.000 2.199 576 G HA2 -0.251 3.160 3.960 -0.915 0.000 0.254 576 G HA3 -0.251 3.160 3.960 -0.915 0.000 0.254 576 G C 0.454 175.322 174.900 -0.054 0.000 0.982 576 G CA 0.471 45.588 45.100 0.029 0.000 0.632 576 G HN 1.212 nan 8.290 nan 0.000 0.529 577 L N 0.977 122.105 121.223 -0.159 0.000 2.334 577 L HA 0.548 4.339 4.340 -0.915 0.000 0.277 577 L C 0.238 176.858 176.870 -0.417 0.000 1.075 577 L CA -0.617 54.002 54.840 -0.369 0.000 0.804 577 L CB 1.134 42.840 42.059 -0.589 0.000 1.174 577 L HN 0.165 nan 8.230 nan 0.000 0.438 578 E N 3.433 123.341 120.200 -0.486 0.000 2.129 578 E HA 0.342 4.144 4.350 -0.915 0.000 0.268 578 E C -1.440 174.895 176.600 -0.441 0.000 0.900 578 E CA -0.357 55.849 56.400 -0.323 0.000 0.755 578 E CB 1.471 31.074 29.700 -0.163 0.000 1.117 578 E HN 0.296 nan 8.360 nan 0.000 0.410 579 F N 1.811 121.742 119.950 -0.032 0.000 2.311 579 F HA 0.093 4.070 4.527 -0.917 0.000 0.371 579 F C 1.458 177.298 175.800 0.066 0.000 1.083 579 F CA -0.526 57.476 58.000 0.004 0.000 1.113 579 F CB 1.220 40.203 39.000 -0.028 0.000 1.349 579 F HN 0.410 nan 8.300 nan 0.000 0.470 580 S N 1.116 116.941 115.700 0.207 0.000 2.522 580 S HA 0.284 4.206 4.470 -0.915 0.000 0.227 580 S C 0.765 175.495 174.600 0.218 0.000 0.986 580 S CA 0.186 58.492 58.200 0.178 0.000 0.929 580 S CB 0.117 63.395 63.200 0.129 0.000 0.769 580 S HN 0.477 nan 8.310 nan 0.000 0.529 581 A N 1.034 124.034 122.820 0.301 0.000 2.340 581 A HA 0.605 4.377 4.320 -0.915 0.000 0.297 581 A C -0.074 177.751 177.584 0.402 0.000 1.195 581 A CA -0.670 51.567 52.037 0.333 0.000 0.769 581 A CB 0.380 19.593 19.000 0.356 0.000 1.163 581 A HN 1.002 nan 8.150 nan 0.000 0.472 582 C N 0.710 120.197 119.300 0.312 0.000 3.235 582 C HA 0.439 4.350 4.460 -0.915 0.000 0.198 582 C C -2.807 172.330 174.990 0.244 0.000 1.527 582 C CA -1.710 57.465 59.018 0.262 0.000 1.167 582 C CB -0.437 27.479 27.740 0.294 0.000 1.938 582 C HN 0.567 nan 8.230 nan 0.000 0.593 583 P HA 0.268 nan 4.420 nan 0.000 0.264 583 P C -0.546 176.765 177.300 0.019 0.000 1.183 583 P CA 1.109 64.176 63.100 -0.055 0.000 0.763 583 P CB 0.340 31.979 31.700 -0.101 0.000 0.807 584 F N -0.252 119.615 119.950 -0.139 0.000 2.613 584 F HA 0.786 4.765 4.527 -0.913 0.000 0.314 584 F C -0.682 175.017 175.800 -0.167 0.000 1.075 584 F CA -1.222 56.706 58.000 -0.120 0.000 0.945 584 F CB 1.543 40.369 39.000 -0.291 0.000 1.310 584 F HN 0.394 nan 8.300 nan 0.000 0.467 585 S N -0.062 115.734 115.700 0.160 0.000 2.556 585 S HA 0.938 4.860 4.470 -0.915 0.000 0.271 585 S C -0.728 173.843 174.600 -0.048 0.000 1.135 585 S CA -0.162 58.063 58.200 0.042 0.000 0.858 585 S CB 1.504 64.804 63.200 0.167 0.000 1.114 585 S HN 1.498 nan 8.310 nan 0.000 0.468 586 G N 0.037 108.766 108.800 -0.118 0.000 3.324 586 G HA2 0.732 4.144 3.960 -0.915 0.000 0.188 586 G HA3 0.732 4.144 3.960 -0.915 0.000 0.188 586 G C -1.359 173.587 174.900 0.076 0.000 1.384 586 G CA -0.116 44.852 45.100 -0.220 0.000 0.841 586 G HN 1.215 nan 8.290 nan 0.000 0.758 587 W N -1.725 119.576 121.300 0.003 0.000 3.025 587 W HA 0.775 4.885 4.660 -0.916 0.000 0.343 587 W C -1.780 174.731 176.519 -0.013 0.000 1.246 587 W CA -2.200 55.156 57.345 0.018 0.000 1.178 587 W CB 0.416 29.941 29.460 0.109 0.000 1.463 587 W HN 0.417 nan 8.180 nan 0.000 0.578 588 Y N 2.500 123.021 120.300 0.368 0.000 2.309 588 Y HA 0.325 4.326 4.550 -0.915 0.000 0.327 588 Y C 1.005 176.993 175.900 0.146 0.000 1.172 588 Y CA -0.777 57.403 58.100 0.134 0.000 1.280 588 Y CB 1.368 39.797 38.460 -0.051 0.000 1.234 588 Y HN 0.344 nan 8.280 nan 0.000 0.512 589 M N 2.783 122.544 119.600 0.268 0.000 2.216 589 M HA 0.245 4.176 4.480 -0.915 0.000 0.356 589 M C 1.203 177.518 176.300 0.025 0.000 1.205 589 M CA 0.223 55.613 55.300 0.150 0.000 1.122 589 M CB 1.034 33.700 32.600 0.111 0.000 1.571 589 M HN 0.936 nan 8.290 nan 0.000 0.464 590 G N 1.287 110.063 108.800 -0.041 0.000 2.476 590 G HA2 -0.282 3.130 3.960 -0.915 0.000 0.218 590 G HA3 -0.282 3.130 3.960 -0.915 0.000 0.218 590 G C 1.217 175.989 174.900 -0.213 0.000 1.164 590 G CA 1.590 46.584 45.100 -0.178 0.000 0.768 590 G HN 0.896 nan 8.290 nan 0.000 0.560 591 T N -0.409 114.068 114.554 -0.130 0.000 2.760 591 T HA -0.186 3.615 4.350 -0.915 0.000 0.269 591 T C 1.922 176.482 174.700 -0.232 0.000 1.047 591 T CA 1.899 63.879 62.100 -0.200 0.000 1.139 591 T CB -0.434 68.286 68.868 -0.246 0.000 0.855 591 T HN 0.553 nan 8.240 nan 0.000 0.471 592 E N 0.882 120.964 120.200 -0.196 0.000 2.058 592 E HA -0.065 3.736 4.350 -0.915 0.000 0.194 592 E C 2.201 178.556 176.600 -0.409 0.000 0.997 592 E CA 1.621 57.912 56.400 -0.182 0.000 0.801 592 E CB -0.323 29.411 29.700 0.057 0.000 0.746 592 E HN 0.614 nan 8.360 nan 0.000 0.450 593 I N 0.245 120.386 120.570 -0.715 0.000 2.235 593 I HA -0.080 3.541 4.170 -0.915 0.000 0.241 593 I C 2.596 178.157 176.117 -0.926 0.000 1.085 593 I CA 1.032 61.620 61.300 -1.187 0.000 1.378 593 I CB -0.523 36.610 38.000 -1.445 0.000 1.076 593 I HN 0.123 nan 8.210 nan 0.000 0.415 594 G N 0.546 109.017 108.800 -0.547 0.000 2.408 594 G HA2 -0.107 3.304 3.960 -0.915 0.000 0.217 594 G HA3 -0.107 3.304 3.960 -0.915 0.000 0.217 594 G C 1.631 176.472 174.900 -0.098 0.000 1.150 594 G CA 0.868 45.842 45.100 -0.210 0.000 0.776 594 G HN 0.219 nan 8.290 nan 0.000 0.542 595 V N 0.361 120.173 119.914 -0.169 0.000 2.341 595 V HA 0.056 3.627 4.120 -0.915 0.000 0.240 595 V C 2.822 178.849 176.094 -0.111 0.000 1.035 595 V CA 1.066 63.294 62.300 -0.120 0.000 1.033 595 V CB -0.292 31.433 31.823 -0.163 0.000 0.678 595 V HN 0.123 nan 8.190 nan 0.000 0.464 596 R N 0.609 121.009 120.500 -0.166 0.000 2.057 596 R HA -0.007 3.785 4.340 -0.915 0.000 0.224 596 R C 1.948 178.190 176.300 -0.098 0.000 1.136 596 R CA 1.391 57.415 56.100 -0.126 0.000 0.968 596 R CB -1.017 29.199 30.300 -0.140 0.000 0.863 596 R HN 0.479 nan 8.270 nan 0.000 0.433 597 D N 0.117 120.372 120.400 -0.242 0.000 2.117 597 D HA -0.113 3.978 4.640 -0.915 0.000 0.198 597 D C 2.062 178.379 176.300 0.029 0.000 0.982 597 D CA 1.202 55.069 54.000 -0.222 0.000 0.828 597 D CB -0.278 40.049 40.800 -0.789 0.000 0.967 597 D HN 0.341 nan 8.370 nan 0.000 0.464 598 Y N -0.167 120.063 120.300 -0.118 0.000 2.314 598 Y HA -0.053 3.948 4.550 -0.915 0.000 0.294 598 Y C 2.354 178.298 175.900 0.074 0.000 1.119 598 Y CA 0.262 58.376 58.100 0.023 0.000 1.179 598 Y CB 0.284 38.723 38.460 -0.034 0.000 1.025 598 Y HN 0.031 nan 8.280 nan 0.000 0.541 599 C N -1.081 118.324 119.300 0.175 0.000 2.935 599 C HA 0.126 4.038 4.460 -0.915 0.000 0.308 599 C C 0.246 175.272 174.990 0.060 0.000 1.263 599 C CA -0.697 58.383 59.018 0.104 0.000 1.738 599 C CB -0.615 27.162 27.740 0.061 0.000 2.237 599 C HN 0.246 nan 8.230 nan 0.000 0.600 600 D N 2.001 122.428 120.400 0.044 0.000 2.533 600 D HA -0.027 4.064 4.640 -0.915 0.000 0.236 600 D C 1.088 177.418 176.300 0.051 0.000 1.137 600 D CA 0.462 54.479 54.000 0.028 0.000 0.867 600 D CB 0.309 41.122 40.800 0.020 0.000 1.170 600 D HN 0.271 nan 8.370 nan 0.000 0.474 601 N N 0.637 119.357 118.700 0.034 0.000 2.137 601 N HA -0.167 4.024 4.740 -0.915 0.000 0.190 601 N C 1.103 176.634 175.510 0.035 0.000 1.017 601 N CA 1.098 54.171 53.050 0.038 0.000 0.859 601 N CB 0.077 38.581 38.487 0.028 0.000 1.002 601 N HN 0.379 nan 8.380 nan 0.000 0.428 602 S N 0.017 115.736 115.700 0.031 0.000 2.679 602 S HA 0.243 4.165 4.470 -0.915 0.000 0.233 602 S C 0.856 175.474 174.600 0.029 0.000 0.951 602 S CA -0.408 57.807 58.200 0.026 0.000 0.973 602 S CB 0.475 63.690 63.200 0.025 0.000 0.778 602 S HN 0.075 nan 8.310 nan 0.000 0.477 603 R N -0.111 120.417 120.500 0.047 0.000 3.096 603 R HA 0.376 4.168 4.340 -0.915 0.000 0.138 603 R C 0.492 176.819 176.300 0.045 0.000 1.088 603 R CA -0.566 55.577 56.100 0.071 0.000 0.652 603 R CB -0.900 29.492 30.300 0.154 0.000 1.179 603 R HN 0.279 nan 8.270 nan 0.000 0.404 604 Y N 1.700 122.117 120.300 0.194 0.000 2.439 604 Y HA 0.003 4.004 4.550 -0.916 0.000 0.292 604 Y C 0.776 176.754 175.900 0.130 0.000 1.130 604 Y CA 1.241 59.462 58.100 0.201 0.000 1.254 604 Y CB -0.030 38.637 38.460 0.344 0.000 1.000 604 Y HN 0.530 nan 8.280 nan 0.000 0.554 605 N N 1.136 119.977 118.700 0.236 0.000 2.688 605 N HA -0.221 3.971 4.740 -0.915 0.000 0.258 605 N C 0.365 175.953 175.510 0.129 0.000 1.016 605 N CA 0.480 53.618 53.050 0.146 0.000 0.747 605 N CB -1.056 37.488 38.487 0.094 0.000 0.895 605 N HN 0.638 nan 8.380 nan 0.000 0.543 606 I N -2.688 117.961 120.570 0.132 0.000 3.875 606 I HA 0.085 3.706 4.170 -0.915 0.000 0.329 606 I C 1.731 177.887 176.117 0.065 0.000 1.295 606 I CA -0.415 60.927 61.300 0.071 0.000 1.129 606 I CB -0.013 37.985 38.000 -0.003 0.000 1.008 606 I HN 0.164 nan 8.210 nan 0.000 0.413 607 L N 1.182 122.470 121.223 0.107 0.000 2.017 607 L HA -0.163 3.628 4.340 -0.915 0.000 0.208 607 L C 2.597 179.596 176.870 0.214 0.000 1.073 607 L CA 1.801 56.731 54.840 0.150 0.000 0.745 607 L CB -0.386 41.755 42.059 0.136 0.000 0.894 607 L HN 0.342 nan 8.230 nan 0.000 0.432 608 E N -0.094 120.226 120.200 0.201 0.000 2.049 608 E HA -0.283 3.518 4.350 -0.915 0.000 0.198 608 E C 2.025 178.629 176.600 0.006 0.000 1.007 608 E CA 1.836 58.318 56.400 0.136 0.000 0.809 608 E CB -0.037 29.712 29.700 0.080 0.000 0.749 608 E HN 0.474 nan 8.360 nan 0.000 0.450 609 E N 0.147 120.338 120.200 -0.015 0.000 2.110 609 E HA -0.143 3.658 4.350 -0.915 0.000 0.193 609 E C 2.094 178.612 176.600 -0.137 0.000 0.988 609 E CA 0.799 57.148 56.400 -0.085 0.000 0.804 609 E CB -0.134 29.520 29.700 -0.076 0.000 0.745 609 E HN 0.054 nan 8.360 nan 0.000 0.458 610 V N 0.914 120.782 119.914 -0.077 0.000 2.358 610 V HA -0.215 3.357 4.120 -0.915 0.000 0.246 610 V C 2.185 178.222 176.094 -0.095 0.000 1.047 610 V CA 1.741 63.994 62.300 -0.078 0.000 1.035 610 V CB -0.716 31.113 31.823 0.011 0.000 0.658 610 V HN 0.368 nan 8.190 nan 0.000 0.452 611 A N -0.704 122.114 122.820 -0.004 0.000 2.015 611 A HA -0.187 3.585 4.320 -0.915 0.000 0.219 611 A C 2.279 179.762 177.584 -0.168 0.000 1.163 611 A CA 1.527 53.566 52.037 0.004 0.000 0.646 611 A CB -0.366 18.746 19.000 0.186 0.000 0.806 611 A HN 0.520 nan 8.150 nan 0.000 0.448 612 K N -0.225 120.040 120.400 -0.225 0.000 2.057 612 K HA -0.088 3.684 4.320 -0.915 0.000 0.206 612 K C 1.701 178.074 176.600 -0.378 0.000 1.050 612 K CA 1.191 57.312 56.287 -0.277 0.000 0.935 612 K CB -0.075 32.281 32.500 -0.240 0.000 0.715 612 K HN 0.252 nan 8.250 nan 0.000 0.439 613 K N 0.346 120.402 120.400 -0.574 0.000 2.217 613 K HA -0.006 3.766 4.320 -0.915 0.000 0.202 613 K C 1.752 177.813 176.600 -0.898 0.000 1.051 613 K CA 0.971 56.634 56.287 -1.039 0.000 0.952 613 K CB 0.016 31.325 32.500 -1.987 0.000 0.736 613 K HN 0.232 nan 8.250 nan 0.000 0.453 614 M N 0.631 119.936 119.600 -0.490 0.000 2.618 614 M HA -0.031 3.900 4.480 -0.915 0.000 0.240 614 M C -0.271 175.975 176.300 -0.090 0.000 1.123 614 M CA 0.208 55.403 55.300 -0.175 0.000 1.060 614 M CB -0.146 32.406 32.600 -0.079 0.000 1.535 614 M HN -0.011 nan 8.290 nan 0.000 0.507 615 D N 1.772 122.073 120.400 -0.166 0.000 2.737 615 D HA -0.169 3.923 4.640 -0.915 0.000 0.233 615 D C -0.775 175.487 176.300 -0.064 0.000 1.155 615 D CA 0.612 54.542 54.000 -0.116 0.000 0.667 615 D CB -0.915 39.836 40.800 -0.082 0.000 1.060 615 D HN 0.316 nan 8.370 nan 0.000 0.427 616 L N -0.218 120.970 121.223 -0.058 0.000 2.439 616 L HA 0.290 4.081 4.340 -0.915 0.000 0.261 616 L C 1.047 177.868 176.870 -0.083 0.000 1.153 616 L CA -0.609 54.226 54.840 -0.008 0.000 0.808 616 L CB 0.432 42.544 42.059 0.088 0.000 1.126 616 L HN -0.074 nan 8.230 nan 0.000 0.460 617 D N 1.580 121.958 120.400 -0.037 0.000 2.374 617 D HA 0.161 4.253 4.640 -0.915 0.000 0.240 617 D C 0.411 176.595 176.300 -0.193 0.000 1.229 617 D CA 0.234 54.182 54.000 -0.087 0.000 0.895 617 D CB 0.824 41.617 40.800 -0.013 0.000 1.046 617 D HN 0.360 nan 8.370 nan 0.000 0.498 618 M N 2.630 121.950 119.600 -0.467 0.000 2.494 618 M HA 0.131 4.062 4.480 -0.915 0.000 0.232 618 M C 1.602 177.651 176.300 -0.418 0.000 1.137 618 M CA -0.028 54.680 55.300 -0.987 0.000 1.012 618 M CB 0.433 32.314 32.600 -1.198 0.000 1.567 618 M HN 0.187 nan 8.290 nan 0.000 0.486 619 R N 0.617 121.008 120.500 -0.180 0.000 2.235 619 R HA 0.099 3.890 4.340 -0.915 0.000 0.213 619 R C 0.472 176.786 176.300 0.023 0.000 1.059 619 R CA 0.793 56.851 56.100 -0.071 0.000 0.997 619 R CB 0.305 30.576 30.300 -0.049 0.000 0.884 619 R HN 0.179 nan 8.270 nan 0.000 0.462 620 K N -1.051 119.415 120.400 0.109 0.000 2.578 620 K HA 0.047 3.818 4.320 -0.915 0.000 0.269 620 K C 0.499 177.270 176.600 0.287 0.000 0.941 620 K CA -0.055 56.332 56.287 0.168 0.000 0.847 620 K CB 1.729 34.287 32.500 0.097 0.000 1.397 620 K HN -0.081 nan 8.250 nan 0.000 0.422 621 T N -1.913 112.774 114.554 0.221 0.000 2.803 621 T HA -0.163 3.638 4.350 -0.915 0.000 0.269 621 T C 1.515 176.254 174.700 0.065 0.000 1.052 621 T CA 1.974 64.154 62.100 0.134 0.000 1.136 621 T CB -0.296 68.595 68.868 0.038 0.000 0.864 621 T HN 0.551 nan 8.240 nan 0.000 0.467 622 S N 2.423 118.171 115.700 0.080 0.000 2.469 622 S HA -0.104 3.818 4.470 -0.915 0.000 0.238 622 S C 2.148 176.790 174.600 0.070 0.000 0.998 622 S CA 0.958 59.190 58.200 0.054 0.000 0.957 622 S CB -0.862 62.367 63.200 0.048 0.000 0.764 622 S HN 0.818 nan 8.310 nan 0.000 0.514 623 S N 1.866 117.645 115.700 0.130 0.000 2.607 623 S HA 0.187 4.108 4.470 -0.915 0.000 0.224 623 S C 0.945 175.617 174.600 0.120 0.000 0.969 623 S CA 0.108 58.393 58.200 0.142 0.000 0.927 623 S CB -0.996 62.329 63.200 0.208 0.000 0.772 623 S HN 0.557 nan 8.310 nan 0.000 0.533 624 L N 0.481 121.729 121.223 0.042 0.000 3.839 624 L HA -0.194 3.597 4.340 -0.915 0.000 0.416 624 L C 1.733 178.571 176.870 -0.053 0.000 1.195 624 L CA 0.861 55.666 54.840 -0.059 0.000 0.946 624 L CB -2.608 39.437 42.059 -0.024 0.000 1.891 624 L HN 0.759 nan 8.230 nan 0.000 0.963 625 W N 0.270 121.577 121.300 0.012 0.000 2.358 625 W HA -0.169 3.942 4.660 -0.915 0.000 0.303 625 W C 1.752 178.279 176.519 0.012 0.000 1.208 625 W CA 1.326 58.677 57.345 0.010 0.000 1.274 625 W CB -0.792 28.667 29.460 -0.001 0.000 1.138 625 W HN 0.241 nan 8.180 nan 0.000 0.515 626 K N 0.985 120.806 120.400 -0.964 0.000 2.147 626 K HA -0.166 3.605 4.320 -0.915 0.000 0.205 626 K C 1.423 177.863 176.600 -0.267 0.000 1.049 626 K CA 2.308 58.151 56.287 -0.740 0.000 0.936 626 K CB -0.305 31.620 32.500 -0.958 0.000 0.722 626 K HN 0.122 nan 8.250 nan 0.000 0.446 627 D N 0.282 120.554 120.400 -0.214 0.000 2.194 627 D HA -0.095 3.996 4.640 -0.915 0.000 0.204 627 D C 1.876 178.173 176.300 -0.006 0.000 0.964 627 D CA 0.743 54.686 54.000 -0.096 0.000 0.846 627 D CB 0.138 40.887 40.800 -0.084 0.000 0.962 627 D HN 0.177 nan 8.370 nan 0.000 0.490 628 Q N 0.428 120.249 119.800 0.035 0.000 2.049 628 Q HA -0.025 3.767 4.340 -0.915 0.000 0.198 628 Q C 2.354 178.425 176.000 0.118 0.000 0.971 628 Q CA 1.195 57.055 55.803 0.095 0.000 0.833 628 Q CB -0.177 28.639 28.738 0.130 0.000 0.896 628 Q HN 0.287 nan 8.270 nan 0.000 0.434 629 A N 1.221 124.117 122.820 0.126 0.000 1.908 629 A HA -0.198 3.573 4.320 -0.915 0.000 0.218 629 A C 2.097 179.761 177.584 0.133 0.000 1.181 629 A CA 1.234 53.358 52.037 0.145 0.000 0.627 629 A CB -0.702 18.403 19.000 0.176 0.000 0.818 629 A HN 0.324 nan 8.150 nan 0.000 0.445 630 L N 0.116 121.383 121.223 0.074 0.000 2.012 630 L HA -0.157 3.635 4.340 -0.915 0.000 0.210 630 L C 2.434 179.357 176.870 0.087 0.000 1.073 630 L CA 2.091 56.966 54.840 0.059 0.000 0.748 630 L CB -0.579 41.476 42.059 -0.007 0.000 0.891 630 L HN 0.189 nan 8.230 nan 0.000 0.431 631 V N -0.229 119.740 119.914 0.092 0.000 2.255 631 V HA -0.282 3.289 4.120 -0.915 0.000 0.247 631 V C 2.646 178.838 176.094 0.163 0.000 1.051 631 V CA 2.012 64.383 62.300 0.117 0.000 1.018 631 V CB -0.813 31.082 31.823 0.120 0.000 0.641 631 V HN 0.465 nan 8.190 nan 0.000 0.445 632 E N -0.123 120.208 120.200 0.218 0.000 2.072 632 E HA -0.128 3.674 4.350 -0.915 0.000 0.191 632 E C 2.174 178.950 176.600 0.294 0.000 0.985 632 E CA 1.182 57.777 56.400 0.325 0.000 0.801 632 E CB -0.374 29.526 29.700 0.333 0.000 0.750 632 E HN 0.586 nan 8.360 nan 0.000 0.452 633 I N 1.966 122.722 120.570 0.310 0.000 2.118 633 I HA -0.328 3.293 4.170 -0.915 0.000 0.241 633 I C 2.096 178.331 176.117 0.197 0.000 1.070 633 I CA 1.203 62.720 61.300 0.361 0.000 1.327 633 I CB -0.358 37.840 38.000 0.330 0.000 1.034 633 I HN 0.104 nan 8.210 nan 0.000 0.405 634 N N 0.622 119.398 118.700 0.128 0.000 2.309 634 N HA -0.114 4.077 4.740 -0.915 0.000 0.182 634 N C 1.970 177.501 175.510 0.033 0.000 1.018 634 N CA 1.240 54.326 53.050 0.059 0.000 0.876 634 N CB -0.079 38.434 38.487 0.043 0.000 0.972 634 N HN 0.379 nan 8.380 nan 0.000 0.434 635 I N 1.340 121.926 120.570 0.027 0.000 2.286 635 I HA -0.209 3.412 4.170 -0.915 0.000 0.248 635 I C 2.262 178.285 176.117 -0.157 0.000 1.115 635 I CA 0.757 62.015 61.300 -0.069 0.000 1.392 635 I CB -0.101 37.823 38.000 -0.126 0.000 1.065 635 I HN 0.065 nan 8.210 nan 0.000 0.418 636 A N -0.414 122.286 122.820 -0.201 0.000 2.167 636 A HA -0.019 3.752 4.320 -0.915 0.000 0.214 636 A C 2.283 179.842 177.584 -0.040 0.000 1.151 636 A CA 0.844 52.705 52.037 -0.295 0.000 0.735 636 A CB -0.384 18.116 19.000 -0.834 0.000 0.802 636 A HN 0.241 nan 8.150 nan 0.000 0.467 637 V N -0.227 119.700 119.914 0.021 0.000 2.331 637 V HA -0.135 3.437 4.120 -0.915 0.000 0.242 637 V C 2.481 178.603 176.094 0.046 0.000 1.034 637 V CA 1.520 63.851 62.300 0.053 0.000 1.027 637 V CB -0.641 31.128 31.823 -0.091 0.000 0.667 637 V HN 0.563 nan 8.190 nan 0.000 0.457 638 L N -0.840 120.379 121.223 -0.007 0.000 2.012 638 L HA -0.246 3.546 4.340 -0.915 0.000 0.210 638 L C 2.540 179.461 176.870 0.084 0.000 1.073 638 L CA 2.325 57.171 54.840 0.010 0.000 0.748 638 L CB -0.807 41.257 42.059 0.008 0.000 0.891 638 L HN 0.447 nan 8.230 nan 0.000 0.431 639 Y N 0.460 120.733 120.300 -0.046 0.000 2.165 639 Y HA -0.276 3.725 4.550 -0.914 0.000 0.286 639 Y C 2.773 178.670 175.900 -0.005 0.000 1.155 639 Y CA 1.823 59.887 58.100 -0.060 0.000 1.164 639 Y CB -0.236 38.127 38.460 -0.162 0.000 0.978 639 Y HN 0.051 nan 8.280 nan 0.000 0.513 640 S N 0.078 115.759 115.700 -0.031 0.000 2.356 640 S HA -0.158 3.763 4.470 -0.915 0.000 0.223 640 S C 1.754 176.337 174.600 -0.027 0.000 1.032 640 S CA 1.513 59.681 58.200 -0.054 0.000 1.005 640 S CB -0.667 62.609 63.200 0.128 0.000 0.867 640 S HN 0.459 nan 8.310 nan 0.000 0.449 641 F N 1.937 121.830 119.950 -0.096 0.000 2.113 641 F HA -0.096 3.882 4.527 -0.915 0.000 0.297 641 F C 2.641 178.379 175.800 -0.104 0.000 1.103 641 F CA 1.168 59.130 58.000 -0.063 0.000 1.248 641 F CB -0.733 38.256 39.000 -0.017 0.000 0.999 641 F HN 0.209 nan 8.300 nan 0.000 0.475 642 Q N -0.622 119.213 119.800 0.059 0.000 2.096 642 Q HA -0.183 3.609 4.340 -0.915 0.000 0.204 642 Q C 2.336 178.247 176.000 -0.148 0.000 0.982 642 Q CA 1.967 57.740 55.803 -0.049 0.000 0.850 642 Q CB -0.443 28.260 28.738 -0.058 0.000 0.901 642 Q HN 0.248 nan 8.270 nan 0.000 0.422 643 S N 0.904 116.431 115.700 -0.289 0.000 2.399 643 S HA -0.115 3.806 4.470 -0.915 0.000 0.231 643 S C 0.826 175.310 174.600 -0.193 0.000 1.022 643 S CA 1.191 59.199 58.200 -0.321 0.000 0.983 643 S CB -0.059 62.824 63.200 -0.530 0.000 0.803 643 S HN 0.329 nan 8.310 nan 0.000 0.480 644 D N 0.437 120.734 120.400 -0.172 0.000 2.328 644 D HA 0.181 4.273 4.640 -0.915 0.000 0.221 644 D C -0.033 176.199 176.300 -0.114 0.000 1.072 644 D CA 0.109 54.025 54.000 -0.141 0.000 0.850 644 D CB -0.036 40.658 40.800 -0.177 0.000 0.922 644 D HN 0.096 nan 8.370 nan 0.000 0.516 645 K N -0.268 120.075 120.400 -0.095 0.000 3.451 645 K HA -0.137 3.634 4.320 -0.915 0.000 0.273 645 K C -1.033 175.532 176.600 -0.059 0.000 0.944 645 K CA 0.207 56.452 56.287 -0.069 0.000 0.734 645 K CB -1.347 31.113 32.500 -0.067 0.000 1.437 645 K HN -0.005 nan 8.250 nan 0.000 0.454 646 V N 1.258 121.150 119.914 -0.036 0.000 2.384 646 V HA 0.206 3.777 4.120 -0.915 0.000 0.287 646 V C 0.649 176.816 176.094 0.121 0.000 1.020 646 V CA -0.868 61.438 62.300 0.010 0.000 0.850 646 V CB 1.923 33.671 31.823 -0.125 0.000 0.987 646 V HN 0.407 nan 8.190 nan 0.000 0.436 647 T N 6.425 120.991 114.554 0.020 0.000 2.867 647 T HA 0.239 4.040 4.350 -0.915 0.000 0.290 647 T C -0.250 174.487 174.700 0.061 0.000 1.025 647 T CA 1.092 63.121 62.100 -0.118 0.000 1.146 647 T CB -0.075 68.542 68.868 -0.419 0.000 1.024 647 T HN 0.588 nan 8.240 nan 0.000 0.519 648 I N 2.596 123.160 120.570 -0.010 0.000 2.842 648 I HA 0.607 4.228 4.170 -0.915 0.000 0.297 648 I C -1.484 174.658 176.117 0.041 0.000 1.380 648 I CA -0.947 60.392 61.300 0.065 0.000 1.018 648 I CB 1.907 39.888 38.000 -0.031 0.000 1.311 648 I HN 0.450 nan 8.210 nan 0.000 0.439 649 V N 5.637 125.640 119.914 0.147 0.000 2.656 649 V HA 0.484 4.055 4.120 -0.915 0.000 0.307 649 V C -1.042 175.110 176.094 0.096 0.000 1.051 649 V CA -0.278 62.109 62.300 0.145 0.000 0.893 649 V CB 2.168 34.164 31.823 0.288 0.000 0.999 649 V HN 0.882 nan 8.190 nan 0.000 0.426 650 D N 3.957 124.391 120.400 0.056 0.000 2.344 650 D HA 0.166 4.257 4.640 -0.915 0.000 0.244 650 D C 1.281 177.580 176.300 -0.002 0.000 1.134 650 D CA 0.106 54.118 54.000 0.021 0.000 0.930 650 D CB 0.514 41.298 40.800 -0.027 0.000 1.175 650 D HN 0.733 nan 8.370 nan 0.000 0.437 651 H N 0.222 119.247 119.070 -0.074 0.000 2.456 651 H HA -0.141 3.866 4.556 -0.915 0.000 0.296 651 H C 0.989 176.232 175.328 -0.143 0.000 1.079 651 H CA 1.243 57.208 56.048 -0.139 0.000 1.322 651 H CB -0.564 29.057 29.762 -0.234 0.000 1.388 651 H HN 0.531 nan 8.280 nan 0.000 0.538 652 H N 1.496 120.383 119.070 -0.304 0.000 2.299 652 H HA -0.077 3.930 4.556 -0.914 0.000 0.302 652 H C 2.513 177.831 175.328 -0.016 0.000 1.078 652 H CA 2.000 57.965 56.048 -0.140 0.000 1.323 652 H CB -0.031 29.617 29.762 -0.191 0.000 1.381 652 H HN 0.551 nan 8.280 nan 0.000 0.498 653 S N 0.615 116.377 115.700 0.104 0.000 2.470 653 S HA 0.132 4.053 4.470 -0.915 0.000 0.225 653 S C 2.365 177.042 174.600 0.129 0.000 1.006 653 S CA 0.462 58.726 58.200 0.107 0.000 0.934 653 S CB -0.087 63.164 63.200 0.084 0.000 0.778 653 S HN 0.412 nan 8.310 nan 0.000 0.517 654 A N 2.673 125.571 122.820 0.130 0.000 1.902 654 A HA -0.074 3.697 4.320 -0.915 0.000 0.217 654 A C 2.564 180.255 177.584 0.179 0.000 1.181 654 A CA 2.294 54.428 52.037 0.162 0.000 0.623 654 A CB -1.763 17.325 19.000 0.147 0.000 0.818 654 A HN 0.758 nan 8.150 nan 0.000 0.443 655 T N -2.256 112.387 114.554 0.149 0.000 2.777 655 T HA -0.142 3.659 4.350 -0.915 0.000 0.266 655 T C 1.781 176.616 174.700 0.226 0.000 1.040 655 T CA 1.396 63.604 62.100 0.180 0.000 1.141 655 T CB -0.390 68.550 68.868 0.119 0.000 0.868 655 T HN 0.571 nan 8.240 nan 0.000 0.444 656 E N 1.107 121.414 120.200 0.177 0.000 2.085 656 E HA -0.157 3.644 4.350 -0.915 0.000 0.194 656 E C 2.395 179.086 176.600 0.153 0.000 0.994 656 E CA 1.384 57.877 56.400 0.154 0.000 0.801 656 E CB -0.280 29.493 29.700 0.121 0.000 0.743 656 E HN 0.533 nan 8.360 nan 0.000 0.453 657 S N 0.089 115.888 115.700 0.165 0.000 2.383 657 S HA -0.157 3.764 4.470 -0.915 0.000 0.229 657 S C 1.475 176.193 174.600 0.196 0.000 1.030 657 S CA 1.137 59.434 58.200 0.161 0.000 1.002 657 S CB -0.400 62.902 63.200 0.169 0.000 0.829 657 S HN 0.379 nan 8.310 nan 0.000 0.467 658 F N 2.039 122.064 119.950 0.124 0.000 2.234 658 F HA -0.022 3.956 4.527 -0.915 0.000 0.299 658 F C 1.796 177.690 175.800 0.157 0.000 1.087 658 F CA 0.832 58.926 58.000 0.157 0.000 1.340 658 F CB -0.169 38.906 39.000 0.124 0.000 1.031 658 F HN 0.093 nan 8.300 nan 0.000 0.500 659 I N 0.661 121.312 120.570 0.134 0.000 2.142 659 I HA -0.307 3.315 4.170 -0.915 0.000 0.240 659 I C 2.470 178.559 176.117 -0.046 0.000 1.078 659 I CA 1.464 62.788 61.300 0.040 0.000 1.343 659 I CB -1.308 36.763 38.000 0.119 0.000 1.046 659 I HN 0.184 nan 8.210 nan 0.000 0.405 660 K N 0.084 120.490 120.400 0.011 0.000 2.044 660 K HA -0.297 3.474 4.320 -0.915 0.000 0.210 660 K C 2.317 178.905 176.600 -0.020 0.000 1.049 660 K CA 2.058 58.349 56.287 0.008 0.000 0.927 660 K CB -0.296 32.231 32.500 0.045 0.000 0.713 660 K HN 0.323 nan 8.250 nan 0.000 0.443 661 H N 0.343 119.322 119.070 -0.152 0.000 2.321 661 H HA -0.066 3.941 4.556 -0.914 0.000 0.300 661 H C 2.085 177.252 175.328 -0.268 0.000 1.087 661 H CA 2.247 58.174 56.048 -0.203 0.000 1.319 661 H CB -0.130 29.491 29.762 -0.235 0.000 1.379 661 H HN 0.135 nan 8.280 nan 0.000 0.501 662 M N 0.133 119.383 119.600 -0.584 0.000 2.073 662 M HA -0.212 3.719 4.480 -0.915 0.000 0.258 662 M C 2.217 178.469 176.300 -0.081 0.000 1.070 662 M CA 2.241 57.307 55.300 -0.389 0.000 1.103 662 M CB -0.189 32.245 32.600 -0.276 0.000 1.321 662 M HN 0.454 nan 8.290 nan 0.000 0.405 663 E N 0.049 120.198 120.200 -0.085 0.000 2.070 663 E HA -0.232 3.569 4.350 -0.915 0.000 0.197 663 E C 1.702 178.295 176.600 -0.012 0.000 1.004 663 E CA 1.506 57.892 56.400 -0.024 0.000 0.805 663 E CB -0.268 29.410 29.700 -0.038 0.000 0.744 663 E HN 0.506 nan 8.360 nan 0.000 0.451 664 N N 0.762 119.425 118.700 -0.061 0.000 2.069 664 N HA -0.173 4.019 4.740 -0.915 0.000 0.191 664 N C 1.670 177.133 175.510 -0.079 0.000 1.031 664 N CA 1.030 54.052 53.050 -0.046 0.000 0.852 664 N CB -0.232 38.248 38.487 -0.012 0.000 1.018 664 N HN 0.201 nan 8.380 nan 0.000 0.423 665 E N 0.281 120.360 120.200 -0.201 0.000 2.077 665 E HA -0.132 3.669 4.350 -0.915 0.000 0.193 665 E C 1.975 178.430 176.600 -0.241 0.000 0.989 665 E CA 0.682 56.919 56.400 -0.272 0.000 0.800 665 E CB -0.454 28.956 29.700 -0.483 0.000 0.746 665 E HN 0.486 nan 8.360 nan 0.000 0.452 666 Y N 1.122 121.325 120.300 -0.162 0.000 2.165 666 Y HA -0.204 3.797 4.550 -0.914 0.000 0.286 666 Y C 2.719 178.564 175.900 -0.092 0.000 1.155 666 Y CA 1.843 59.878 58.100 -0.108 0.000 1.164 666 Y CB -0.210 38.195 38.460 -0.091 0.000 0.978 666 Y HN -0.013 nan 8.280 nan 0.000 0.513 667 R N -0.167 120.359 120.500 0.044 0.000 2.073 667 R HA -0.135 3.656 4.340 -0.915 0.000 0.229 667 R C 2.229 178.515 176.300 -0.023 0.000 1.120 667 R CA 1.796 57.904 56.100 0.014 0.000 0.967 667 R CB -0.582 29.724 30.300 0.010 0.000 0.862 667 R HN 0.555 nan 8.270 nan 0.000 0.436 668 C N -1.791 117.485 119.300 -0.040 0.000 2.674 668 C HA 0.402 4.313 4.460 -0.915 0.000 0.276 668 C C 2.133 177.087 174.990 -0.061 0.000 1.300 668 C CA -0.335 58.661 59.018 -0.036 0.000 1.732 668 C CB -0.181 27.556 27.740 -0.006 0.000 2.076 668 C HN 0.431 nan 8.230 nan 0.000 0.548 669 R N 0.091 120.525 120.500 -0.111 0.000 2.521 669 R HA 0.311 4.102 4.340 -0.915 0.000 0.289 669 R C 1.522 177.709 176.300 -0.188 0.000 0.936 669 R CA 0.859 56.877 56.100 -0.137 0.000 1.089 669 R CB 0.509 30.712 30.300 -0.161 0.000 1.348 669 R HN 0.653 nan 8.270 nan 0.000 0.536 670 G N -0.025 108.642 108.800 -0.221 0.000 2.157 670 G HA2 -0.186 3.225 3.960 -0.915 0.000 0.248 670 G HA3 -0.186 3.225 3.960 -0.915 0.000 0.248 670 G C 0.169 174.797 174.900 -0.454 0.000 0.979 670 G CA 0.076 45.022 45.100 -0.257 0.000 0.650 670 G HN 0.792 nan 8.290 nan 0.000 0.529 671 G N -2.341 106.019 108.800 -0.733 0.000 2.341 671 G HA2 0.534 3.945 3.960 -0.915 0.000 0.293 671 G HA3 0.534 3.945 3.960 -0.915 0.000 0.293 671 G C -0.897 173.547 174.900 -0.760 0.000 1.298 671 G CA 0.521 44.873 45.100 -1.247 0.000 0.868 671 G HN 1.903 nan 8.290 nan 0.000 0.540 672 C N 2.103 121.112 119.300 -0.485 0.000 3.044 672 C HA 0.647 4.559 4.460 -0.915 0.000 0.382 672 C C -2.558 172.346 174.990 -0.144 0.000 1.071 672 C CA -1.017 57.855 59.018 -0.244 0.000 1.296 672 C CB 0.600 28.203 27.740 -0.229 0.000 1.730 672 C HN 0.732 nan 8.230 nan 0.000 0.513 673 P HA 0.444 nan 4.420 nan 0.000 0.268 673 P C -0.613 176.574 177.300 -0.188 0.000 1.205 673 P CA 0.555 63.248 63.100 -0.678 0.000 0.771 673 P CB 1.113 32.204 31.700 -1.014 0.000 0.858 674 A N 1.679 124.449 122.820 -0.083 0.000 2.555 674 A HA 0.405 4.176 4.320 -0.915 0.000 0.297 674 A C -1.418 176.220 177.584 0.090 0.000 1.060 674 A CA -0.531 51.559 52.037 0.088 0.000 0.710 674 A CB 1.160 20.335 19.000 0.292 0.000 1.282 674 A HN 0.456 nan 8.150 nan 0.000 0.399 675 D N 1.943 122.388 120.400 0.076 0.000 2.473 675 D HA 0.191 4.283 4.640 -0.915 0.000 0.226 675 D C 0.794 177.228 176.300 0.225 0.000 1.089 675 D CA -0.517 53.562 54.000 0.132 0.000 0.883 675 D CB 0.315 41.145 40.800 0.050 0.000 1.029 675 D HN 0.581 nan 8.370 nan 0.000 0.517 676 W N 3.940 125.278 121.300 0.063 0.000 2.321 676 W HA -0.269 3.843 4.660 -0.914 0.000 0.306 676 W C 1.581 178.139 176.519 0.065 0.000 1.217 676 W CA 1.269 58.640 57.345 0.043 0.000 1.257 676 W CB 0.054 29.520 29.460 0.009 0.000 1.145 676 W HN 0.296 nan 8.180 nan 0.000 0.509 677 V N -0.431 119.805 119.914 0.537 0.000 2.392 677 V HA -0.323 3.249 4.120 -0.915 0.000 0.249 677 V C 1.575 177.804 176.094 0.225 0.000 1.059 677 V CA 2.136 64.696 62.300 0.434 0.000 1.051 677 V CB -0.976 31.099 31.823 0.421 0.000 0.658 677 V HN 0.312 nan 8.190 nan 0.000 0.455 678 W N -1.278 120.020 121.300 -0.003 0.000 2.704 678 W HA 0.222 4.333 4.660 -0.916 0.000 0.266 678 W C 2.195 178.616 176.519 -0.163 0.000 1.266 678 W CA -0.001 57.310 57.345 -0.057 0.000 1.377 678 W CB -0.108 29.342 29.460 -0.017 0.000 1.082 678 W HN 0.089 nan 8.180 nan 0.000 0.608 679 I N -0.158 120.382 120.570 -0.050 0.000 2.353 679 I HA -0.082 3.539 4.170 -0.915 0.000 0.248 679 I C 0.636 176.558 176.117 -0.324 0.000 1.119 679 I CA 0.804 61.950 61.300 -0.256 0.000 1.417 679 I CB -1.569 36.191 38.000 -0.400 0.000 1.078 679 I HN -0.410 nan 8.210 nan 0.000 0.421 680 V N 4.214 123.842 119.914 -0.477 0.000 2.479 680 V HA 0.074 3.646 4.120 -0.915 0.000 0.281 680 V C -1.849 174.065 176.094 -0.301 0.000 1.031 680 V CA -0.992 61.013 62.300 -0.492 0.000 1.038 680 V CB 0.032 31.302 31.823 -0.921 0.000 0.981 680 V HN 0.131 nan 8.190 nan 0.000 0.478 681 P HA 0.148 nan 4.420 nan 0.000 0.270 681 P C -2.036 175.125 177.300 -0.231 0.000 1.223 681 P CA -1.102 61.867 63.100 -0.219 0.000 0.785 681 P CB 0.065 31.627 31.700 -0.230 0.000 0.923 682 P HA 0.106 nan 4.420 nan 0.000 0.257 682 P C -0.237 176.942 177.300 -0.201 0.000 1.325 682 P CA 0.685 63.664 63.100 -0.200 0.000 0.850 682 P CB 0.019 31.600 31.700 -0.198 0.000 1.324 683 M N -4.479 114.957 119.600 -0.274 0.000 2.619 683 M HA 0.575 4.507 4.480 -0.915 0.000 0.297 683 M C -0.080 176.078 176.300 -0.237 0.000 1.229 683 M CA -0.680 54.474 55.300 -0.244 0.000 0.860 683 M CB 1.904 34.350 32.600 -0.257 0.000 1.741 683 M HN -0.372 nan 8.290 nan 0.000 0.462 684 S N 0.321 115.943 115.700 -0.130 0.000 3.533 684 S HA -0.182 3.740 4.470 -0.915 0.000 0.347 684 S C 1.134 175.685 174.600 -0.081 0.000 1.101 684 S CA 0.829 58.995 58.200 -0.058 0.000 1.009 684 S CB -1.991 61.247 63.200 0.064 0.000 0.916 684 S HN 1.219 nan 8.310 nan 0.000 0.496 685 G N 2.300 111.020 108.800 -0.134 0.000 2.681 685 G HA2 -0.357 3.055 3.960 -0.915 0.000 0.220 685 G HA3 -0.357 3.055 3.960 -0.915 0.000 0.220 685 G C 1.444 176.204 174.900 -0.233 0.000 1.210 685 G CA 1.698 46.725 45.100 -0.121 0.000 0.783 685 G HN 1.351 nan 8.290 nan 0.000 0.609 686 S N 0.605 115.894 115.700 -0.686 0.000 2.603 686 S HA 0.072 3.993 4.470 -0.915 0.000 0.229 686 S C 1.979 176.553 174.600 -0.042 0.000 0.972 686 S CA 0.914 58.589 58.200 -0.875 0.000 0.935 686 S CB -0.413 62.012 63.200 -1.292 0.000 0.769 686 S HN 0.785 nan 8.310 nan 0.000 0.536 687 I N 0.477 121.061 120.570 0.022 0.000 3.861 687 I HA 0.311 3.933 4.170 -0.915 0.000 0.329 687 I C 0.244 176.507 176.117 0.244 0.000 1.321 687 I CA -0.460 60.938 61.300 0.164 0.000 1.126 687 I CB -0.330 37.761 38.000 0.153 0.000 1.018 687 I HN 0.188 nan 8.210 nan 0.000 0.407 688 T N -2.045 112.641 114.554 0.220 0.000 2.888 688 T HA 0.497 4.299 4.350 -0.915 0.000 0.284 688 T C -1.801 173.080 174.700 0.302 0.000 1.017 688 T CA -1.915 60.322 62.100 0.228 0.000 1.022 688 T CB 1.870 70.814 68.868 0.127 0.000 1.013 688 T HN -0.123 nan 8.240 nan 0.000 0.465 689 P HA -0.034 nan 4.420 nan 0.000 0.222 689 P C 1.854 179.363 177.300 0.349 0.000 1.153 689 P CA 0.726 64.025 63.100 0.331 0.000 0.798 689 P CB -0.366 31.467 31.700 0.222 0.000 0.796 690 V N -3.369 116.691 119.914 0.243 0.000 2.469 690 V HA -0.234 3.337 4.120 -0.915 0.000 0.251 690 V C 2.331 178.492 176.094 0.111 0.000 1.064 690 V CA 1.369 63.766 62.300 0.162 0.000 1.066 690 V CB -2.319 29.522 31.823 0.030 0.000 0.667 690 V HN -0.116 nan 8.190 nan 0.000 0.461 691 F N 1.970 121.904 119.950 -0.027 0.000 2.120 691 F HA -0.207 3.771 4.527 -0.915 0.000 0.300 691 F C 2.493 178.396 175.800 0.172 0.000 1.095 691 F CA 2.405 60.396 58.000 -0.015 0.000 1.249 691 F CB -0.330 38.567 39.000 -0.171 0.000 0.995 691 F HN 0.300 nan 8.300 nan 0.000 0.480 692 H N -1.283 118.077 119.070 0.484 0.000 2.539 692 H HA 0.087 4.094 4.556 -0.915 0.000 0.267 692 H C 0.341 175.904 175.328 0.391 0.000 0.982 692 H CA 0.177 56.481 56.048 0.427 0.000 1.146 692 H CB -0.143 29.864 29.762 0.409 0.000 1.382 692 H HN 0.231 nan 8.280 nan 0.000 0.577 693 Q N 2.213 122.275 119.800 0.435 0.000 2.331 693 Q HA 0.121 3.913 4.340 -0.915 0.000 0.257 693 Q C -0.571 175.656 176.000 0.379 0.000 0.957 693 Q CA -0.377 55.637 55.803 0.352 0.000 0.923 693 Q CB 0.584 29.501 28.738 0.299 0.000 1.212 693 Q HN 0.251 nan 8.270 nan 0.000 0.443 694 E N 3.853 124.230 120.200 0.296 0.000 2.414 694 E HA 0.117 3.918 4.350 -0.915 0.000 0.263 694 E C -0.470 176.267 176.600 0.229 0.000 1.000 694 E CA 0.498 57.036 56.400 0.230 0.000 0.914 694 E CB 0.631 30.444 29.700 0.188 0.000 0.948 694 E HN 0.594 nan 8.360 nan 0.000 0.444 695 M N 2.666 122.418 119.600 0.253 0.000 2.591 695 M HA 0.398 4.330 4.480 -0.915 0.000 0.306 695 M C -0.876 175.547 176.300 0.206 0.000 1.190 695 M CA -0.746 54.711 55.300 0.261 0.000 0.889 695 M CB 1.660 34.459 32.600 0.332 0.000 1.728 695 M HN 0.234 nan 8.290 nan 0.000 0.458 696 L N 1.697 123.057 121.223 0.227 0.000 2.307 696 L HA 0.488 4.280 4.340 -0.915 0.000 0.284 696 L C -0.339 176.626 176.870 0.159 0.000 1.023 696 L CA -0.362 54.617 54.840 0.232 0.000 0.810 696 L CB 1.332 43.599 42.059 0.347 0.000 1.231 696 L HN 0.699 nan 8.230 nan 0.000 0.423 697 N N 2.640 121.424 118.700 0.141 0.000 2.408 697 N HA 0.547 4.738 4.740 -0.915 0.000 0.280 697 N C -1.651 173.935 175.510 0.127 0.000 1.002 697 N CA -0.441 52.628 53.050 0.031 0.000 0.907 697 N CB 1.174 39.691 38.487 0.050 0.000 1.161 697 N HN 0.492 nan 8.380 nan 0.000 0.488 698 Y N 0.192 120.521 120.300 0.049 0.000 2.689 698 Y HA 0.514 4.516 4.550 -0.914 0.000 0.333 698 Y C -1.299 174.615 175.900 0.024 0.000 1.208 698 Y CA -1.350 56.775 58.100 0.042 0.000 1.055 698 Y CB 0.886 39.385 38.460 0.064 0.000 1.304 698 Y HN 0.151 nan 8.280 nan 0.000 0.455 699 R N 2.285 122.896 120.500 0.185 0.000 2.288 699 R HA 0.598 4.389 4.340 -0.915 0.000 0.326 699 R C -1.426 174.946 176.300 0.120 0.000 0.959 699 R CA -0.596 55.553 56.100 0.080 0.000 0.834 699 R CB 1.714 32.049 30.300 0.057 0.000 1.157 699 R HN 0.741 nan 8.270 nan 0.000 0.470 700 L N 0.689 121.958 121.223 0.077 0.000 2.313 700 L HA 0.559 4.350 4.340 -0.915 0.000 0.268 700 L C 0.359 177.249 176.870 0.033 0.000 1.010 700 L CA -0.727 54.163 54.840 0.083 0.000 0.814 700 L CB 2.351 44.459 42.059 0.082 0.000 1.304 700 L HN 0.416 nan 8.230 nan 0.000 0.441 701 T N 1.271 115.855 114.554 0.049 0.000 2.887 701 T HA 0.533 4.334 4.350 -0.915 0.000 0.288 701 T C -2.601 172.151 174.700 0.087 0.000 1.021 701 T CA -1.573 60.550 62.100 0.038 0.000 1.000 701 T CB 2.049 70.946 68.868 0.048 0.000 1.034 701 T HN 0.207 nan 8.240 nan 0.000 0.467 702 P HA 0.341 nan 4.420 nan 0.000 0.270 702 P C -1.177 176.037 177.300 -0.144 0.000 1.223 702 P CA -0.234 62.835 63.100 -0.052 0.000 0.785 702 P CB 0.589 32.242 31.700 -0.077 0.000 0.923 703 S N -0.151 115.408 115.700 -0.235 0.000 2.625 703 S HA 0.647 4.568 4.470 -0.915 0.000 0.271 703 S C -1.431 172.924 174.600 -0.409 0.000 1.161 703 S CA -0.823 57.214 58.200 -0.272 0.000 0.820 703 S CB 0.550 63.677 63.200 -0.121 0.000 1.137 703 S HN 0.112 nan 8.310 nan 0.000 0.470 704 F N 1.313 121.191 119.950 -0.121 0.000 2.404 704 F HA 0.672 4.649 4.527 -0.916 0.000 0.339 704 F C 0.897 176.587 175.800 -0.184 0.000 1.105 704 F CA -0.277 57.646 58.000 -0.129 0.000 1.087 704 F CB 1.366 40.267 39.000 -0.165 0.000 1.143 704 F HN 0.495 nan 8.300 nan 0.000 0.491 705 E N 1.869 122.080 120.200 0.018 0.000 2.336 705 E HA 0.303 4.104 4.350 -0.915 0.000 0.267 705 E C -1.234 175.295 176.600 -0.118 0.000 0.906 705 E CA -0.923 55.418 56.400 -0.099 0.000 0.781 705 E CB 1.968 31.657 29.700 -0.019 0.000 1.261 705 E HN 0.446 nan 8.360 nan 0.000 0.436 706 Y N 0.784 121.099 120.300 0.025 0.000 2.298 706 Y HA 0.210 4.210 4.550 -0.916 0.000 0.329 706 Y C 1.033 176.925 175.900 -0.014 0.000 1.293 706 Y CA -0.116 57.985 58.100 0.001 0.000 1.388 706 Y CB 0.934 39.382 38.460 -0.020 0.000 1.309 706 Y HN 0.266 nan 8.280 nan 0.000 0.544 707 Q N 0.516 120.404 119.800 0.146 0.000 2.462 707 Q HA 0.564 4.355 4.340 -0.915 0.000 0.285 707 Q C -3.133 172.831 176.000 -0.061 0.000 1.035 707 Q CA -2.447 53.372 55.803 0.027 0.000 0.799 707 Q CB 1.784 30.526 28.738 0.007 0.000 1.452 707 Q HN 0.277 nan 8.270 nan 0.000 0.404 708 P HA 0.135 nan 4.420 nan 0.000 0.271 708 P C -0.864 176.218 177.300 -0.364 0.000 1.216 708 P CA -0.163 62.812 63.100 -0.208 0.000 0.776 708 P CB 0.354 31.942 31.700 -0.185 0.000 0.881 709 D N 3.772 123.846 120.400 -0.544 0.000 2.583 709 D HA -0.057 4.035 4.640 -0.915 0.000 0.232 709 D C -1.223 174.409 176.300 -1.114 0.000 1.128 709 D CA -0.502 52.887 54.000 -1.018 0.000 0.859 709 D CB 0.211 40.029 40.800 -1.637 0.000 1.169 709 D HN 0.263 nan 8.370 nan 0.000 0.481 710 P HA -0.098 nan 4.420 nan 0.000 0.223 710 P C 1.354 178.214 177.300 -0.733 0.000 1.151 710 P CA 0.836 63.436 63.100 -0.832 0.000 0.787 710 P CB -0.098 31.014 31.700 -0.980 0.000 0.788 711 W N 0.563 121.421 121.300 -0.737 0.000 2.402 711 W HA -0.001 4.107 4.660 -0.920 0.000 0.286 711 W C 1.435 177.910 176.519 -0.074 0.000 1.221 711 W CA 0.546 57.674 57.345 -0.362 0.000 1.257 711 W CB -2.340 27.033 29.460 -0.145 0.000 1.120 711 W HN -0.179 nan 8.180 nan 0.000 0.551 712 N N 0.592 119.169 118.700 -0.206 0.000 2.272 712 N HA -0.121 4.070 4.740 -0.915 0.000 0.185 712 N C 1.300 176.769 175.510 -0.067 0.000 1.014 712 N CA 2.264 55.262 53.050 -0.086 0.000 0.870 712 N CB -0.630 37.734 38.487 -0.205 0.000 0.975 712 N HN 0.376 nan 8.380 nan 0.000 0.433 713 T N -1.279 113.199 114.554 -0.126 0.000 3.045 713 T HA -0.023 3.778 4.350 -0.915 0.000 0.239 713 T C 0.627 175.287 174.700 -0.066 0.000 1.008 713 T CA -0.119 61.925 62.100 -0.092 0.000 1.143 713 T CB -0.227 68.568 68.868 -0.121 0.000 0.894 713 T HN 0.237 nan 8.240 nan 0.000 0.451 714 H N 2.888 121.843 119.070 -0.193 0.000 3.001 714 H HA 0.304 4.314 4.556 -0.910 0.000 0.334 714 H C -0.531 174.581 175.328 -0.359 0.000 1.034 714 H CA -0.349 55.540 56.048 -0.265 0.000 1.420 714 H CB 0.224 29.805 29.762 -0.301 0.000 1.405 714 H HN 0.017 nan 8.280 nan 0.000 0.593 715 V N 4.335 123.689 119.914 -0.932 0.000 2.435 715 V HA 0.268 3.839 4.120 -0.915 0.000 0.290 715 V C -0.043 175.444 176.094 -1.012 0.000 1.030 715 V CA -1.161 60.696 62.300 -0.739 0.000 0.881 715 V CB 0.495 32.145 31.823 -0.288 0.000 0.983 715 V HN 0.705 nan 8.190 nan 0.000 0.445 716 W N 0.000 121.135 121.300 -0.275 0.000 2.388 716 W HA 0.000 4.105 4.660 -0.925 0.000 0.303 716 W CA 0.000 57.285 57.345 -0.100 0.000 1.226 716 W CB 0.000 29.469 29.460 0.015 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535