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 2jfk_1_D DATA FIRST_RESID 411 DATA SEQUENCE LGTENLYFQS MRLLRASGRT PEAVQKLLEQ GLRHSQDLAF LSMLNDIAAV DATA SEQUENCE PATAMPFRGY AVLGGERGGP EVQQVPAGER PLWFICSGMG TQWRGMGLSL DATA SEQUENCE MRLDRFRDSI LRSDEAVKPF GLKVSQLLLS TDESTFDDIV HSFVSLTAIQ DATA SEQUENCE IGLIDLLSCM GLRPDGIVGH SLGEVACGYA DGCLSQEEAV LAAYWRGQCI DATA SEQUENCE KEAHLPPGAM AAVGLSWEEC KQRCPPGVVP AXHNSKDTVT ISGPQAPVFE DATA SEQUENCE FVEQLRKEGV FAKEVRTGGM AFHSYFMEAI APPLLQELKK VIREPKPRSA DATA SEQUENCE RWLSTSIPEA QWHSSLARTS SAEYNVNNLV SPVLFQEALW HVPEHAVVLE DATA SEQUENCE IAPHALLQAV LKRGLKPSCT IIPLMKKDHR DNLEFFLAGI GRLHLSGIDA DATA SEQUENCE NPNALFPPVE 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 411 L HA 0.000 nan 4.340 nan 0.000 0.249 411 L C 0.000 176.889 176.870 0.031 0.000 1.165 411 L CA 0.000 54.858 54.840 0.029 0.000 0.813 411 L CB 0.000 42.075 42.059 0.026 0.000 0.961 412 G N -1.518 107.309 108.800 0.045 0.000 2.624 412 G HA2 0.023 3.983 3.960 -0.000 0.000 0.190 412 G HA3 0.023 3.983 3.960 -0.000 0.000 0.190 412 G C 1.009 175.948 174.900 0.065 0.000 1.008 412 G CA 1.259 46.386 45.100 0.044 0.000 0.731 412 G HN 1.838 nan 8.290 nan 0.000 0.478 413 T N 1.318 115.923 114.554 0.085 0.000 2.720 413 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 413 T C 1.955 176.792 174.700 0.228 0.000 1.037 413 T CA 1.992 64.183 62.100 0.153 0.000 1.144 413 T CB -0.272 68.679 68.868 0.138 0.000 0.864 413 T HN 0.591 nan 8.240 nan 0.000 0.444 414 E N 0.930 121.214 120.200 0.140 0.000 2.086 414 E HA -0.255 4.095 4.350 -0.000 0.000 0.205 414 E C 2.226 178.913 176.600 0.145 0.000 1.027 414 E CA 1.595 58.072 56.400 0.128 0.000 0.830 414 E CB -0.267 29.473 29.700 0.067 0.000 0.751 414 E HN 0.371 nan 8.360 nan 0.000 0.456 415 N N -0.040 118.717 118.700 0.096 0.000 2.223 415 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 415 N C 1.919 177.465 175.510 0.060 0.000 1.016 415 N CA 1.331 54.422 53.050 0.067 0.000 0.863 415 N CB -0.213 38.298 38.487 0.039 0.000 0.983 415 N HN 0.190 nan 8.380 nan 0.000 0.429 416 L N -1.326 119.936 121.223 0.066 0.000 2.201 416 L HA 0.019 4.359 4.340 -0.000 0.000 0.212 416 L C 1.176 177.957 176.870 -0.149 0.000 1.105 416 L CA 1.539 56.357 54.840 -0.037 0.000 0.775 416 L CB -1.634 40.392 42.059 -0.056 0.000 0.913 416 L HN 0.297 nan 8.230 nan 0.000 0.440 417 Y N -1.565 118.752 120.300 0.028 0.000 2.746 417 Y HA 0.444 4.994 4.550 -0.000 0.000 0.312 417 Y C 1.741 177.667 175.900 0.043 0.000 1.117 417 Y CA 0.034 58.156 58.100 0.036 0.000 1.324 417 Y CB -1.028 37.454 38.460 0.036 0.000 1.173 417 Y HN 0.483 nan 8.280 nan 0.000 0.529 418 F N -0.386 119.637 119.950 0.122 0.000 2.595 418 F HA -0.603 3.924 4.527 -0.000 0.000 0.649 418 F C 2.091 177.952 175.800 0.102 0.000 0.488 418 F CA 3.390 61.448 58.000 0.098 0.000 0.669 418 F CB -1.577 37.483 39.000 0.099 0.000 1.591 418 F HN 0.326 nan 8.300 nan 0.000 0.257 419 Q N -1.189 118.691 119.800 0.133 0.000 2.005 419 Q HA -0.436 3.904 4.340 -0.000 0.000 0.173 419 Q C 1.480 177.511 176.000 0.051 0.000 2.929 419 Q CA 4.091 59.959 55.803 0.109 0.000 0.200 419 Q CB -1.989 26.810 28.738 0.101 0.000 0.211 419 Q HN 2.536 nan 8.270 nan 0.000 0.373 420 S N -0.291 115.422 115.700 0.021 0.000 2.575 420 S HA 0.213 4.683 4.470 -0.000 0.000 0.215 420 S C 0.776 175.329 174.600 -0.077 0.000 0.966 420 S CA 0.321 58.500 58.200 -0.036 0.000 0.911 420 S CB -0.121 63.069 63.200 -0.016 0.000 0.780 420 S HN 0.468 nan 8.310 nan 0.000 0.514 421 M N 3.097 122.677 119.600 -0.034 0.000 2.269 421 M HA 0.202 4.682 4.480 -0.000 0.000 0.350 421 M C -0.606 175.596 176.300 -0.163 0.000 1.429 421 M CA 0.348 55.631 55.300 -0.029 0.000 1.063 421 M CB 0.228 32.864 32.600 0.061 0.000 1.841 421 M HN 0.155 nan 8.290 nan 0.000 0.455 422 R N 4.172 124.582 120.500 -0.150 0.000 2.808 422 R HA 0.549 4.889 4.340 -0.000 0.000 0.272 422 R C -1.561 174.732 176.300 -0.012 0.000 0.995 422 R CA -0.993 54.964 56.100 -0.238 0.000 0.917 422 R CB 1.535 31.655 30.300 -0.300 0.000 1.217 422 R HN 0.772 nan 8.270 nan 0.000 0.471 423 L N 1.896 123.157 121.223 0.064 0.000 2.289 423 L HA 0.481 4.821 4.340 -0.000 0.000 0.285 423 L C -1.069 175.841 176.870 0.066 0.000 1.049 423 L CA -0.510 54.392 54.840 0.103 0.000 0.804 423 L CB 0.958 43.091 42.059 0.123 0.000 1.195 423 L HN 0.505 nan 8.230 nan 0.000 0.428 424 L N 5.973 127.241 121.223 0.075 0.000 2.325 424 L HA 0.636 4.976 4.340 -0.000 0.000 0.281 424 L C -0.529 176.368 176.870 0.045 0.000 1.004 424 L CA -0.278 54.591 54.840 0.047 0.000 0.823 424 L CB 1.043 43.137 42.059 0.059 0.000 1.236 424 L HN 0.814 nan 8.230 nan 0.000 0.415 425 R N 4.514 124.984 120.500 -0.051 0.000 2.532 425 R HA 0.977 5.317 4.340 -0.000 0.000 0.295 425 R C -1.055 175.175 176.300 -0.116 0.000 0.968 425 R CA -0.668 55.331 56.100 -0.169 0.000 0.916 425 R CB 1.581 31.517 30.300 -0.608 0.000 1.124 425 R HN 0.652 nan 8.270 nan 0.000 0.463 426 A N 1.622 124.465 122.820 0.039 0.000 2.469 426 A HA 0.781 5.101 4.320 -0.000 0.000 0.299 426 A C -1.036 176.717 177.584 0.281 0.000 1.098 426 A CA -0.818 51.292 52.037 0.122 0.000 0.737 426 A CB 2.260 21.318 19.000 0.097 0.000 1.312 426 A HN 0.720 nan 8.150 nan 0.000 0.414 427 S N -1.244 114.576 115.700 0.199 0.000 2.588 427 S HA 0.949 5.419 4.470 -0.000 0.000 0.275 427 S C -0.177 174.499 174.600 0.127 0.000 1.130 427 S CA -0.098 58.213 58.200 0.184 0.000 0.855 427 S CB 2.106 65.406 63.200 0.168 0.000 1.116 427 S HN 2.064 nan 8.310 nan 0.000 0.472 428 G N 0.190 109.074 108.800 0.140 0.000 2.451 428 G HA2 0.410 4.370 3.960 -0.000 0.000 0.292 428 G HA3 0.410 4.370 3.960 -0.000 0.000 0.292 428 G C -0.667 174.334 174.900 0.170 0.000 1.427 428 G CA -0.829 44.341 45.100 0.117 0.000 0.792 428 G HN 0.513 nan 8.290 nan 0.000 0.498 429 R N -0.988 119.584 120.500 0.120 0.000 2.240 429 R HA 0.210 4.550 4.340 -0.000 0.000 0.203 429 R C 0.974 177.372 176.300 0.163 0.000 1.011 429 R CA 1.417 57.608 56.100 0.151 0.000 1.007 429 R CB 0.171 30.518 30.300 0.079 0.000 0.911 429 R HN 0.697 nan 8.270 nan 0.000 0.468 430 T N -3.753 110.786 114.554 -0.024 0.000 2.896 430 T HA 0.283 4.633 4.350 -0.000 0.000 0.297 430 T C -2.429 171.944 174.700 -0.546 0.000 1.108 430 T CA -1.983 59.886 62.100 -0.385 0.000 1.004 430 T CB 2.539 71.270 68.868 -0.228 0.000 1.159 430 T HN -0.270 nan 8.240 nan 0.000 0.499 431 P HA 0.022 nan 4.420 nan 0.000 0.226 431 P C 0.716 177.882 177.300 -0.223 0.000 1.153 431 P CA 0.899 63.699 63.100 -0.499 0.000 0.777 431 P CB 0.290 31.691 31.700 -0.497 0.000 0.794 432 E N 0.716 120.790 120.200 -0.210 0.000 2.051 432 E HA -0.013 4.337 4.350 -0.000 0.000 0.189 432 E C 2.386 178.943 176.600 -0.070 0.000 0.979 432 E CA 1.237 57.570 56.400 -0.112 0.000 0.803 432 E CB -1.197 28.444 29.700 -0.099 0.000 0.761 432 E HN 0.097 nan 8.360 nan 0.000 0.451 433 A N 0.822 123.598 122.820 -0.072 0.000 1.958 433 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 433 A C 2.443 180.026 177.584 -0.002 0.000 1.178 433 A CA 1.744 53.765 52.037 -0.026 0.000 0.642 433 A CB -0.889 18.102 19.000 -0.015 0.000 0.816 433 A HN 0.152 nan 8.150 nan 0.000 0.453 434 V N -0.649 119.263 119.914 -0.004 0.000 2.283 434 V HA -0.236 3.884 4.120 -0.000 0.000 0.243 434 V C 3.275 179.382 176.094 0.021 0.000 1.039 434 V CA 2.531 64.850 62.300 0.033 0.000 1.016 434 V CB -1.475 30.386 31.823 0.064 0.000 0.650 434 V HN 0.780 nan 8.190 nan 0.000 0.449 435 Q N 0.292 120.089 119.800 -0.004 0.000 2.112 435 Q HA -0.334 4.006 4.340 -0.000 0.000 0.206 435 Q C 2.173 178.179 176.000 0.011 0.000 0.987 435 Q CA 2.453 58.255 55.803 -0.003 0.000 0.858 435 Q CB -0.789 27.936 28.738 -0.021 0.000 0.905 435 Q HN 0.724 nan 8.270 nan 0.000 0.420 436 K N -0.150 120.256 120.400 0.009 0.000 2.063 436 K HA 0.020 4.340 4.320 -0.000 0.000 0.208 436 K C 2.254 178.884 176.600 0.049 0.000 1.048 436 K CA 1.367 57.669 56.287 0.025 0.000 0.928 436 K CB -0.244 32.267 32.500 0.017 0.000 0.713 436 K HN 0.422 nan 8.250 nan 0.000 0.442 437 L N 0.868 122.118 121.223 0.045 0.000 2.093 437 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 437 L C 2.240 179.156 176.870 0.078 0.000 1.085 437 L CA 0.950 55.824 54.840 0.058 0.000 0.755 437 L CB -0.186 41.897 42.059 0.040 0.000 0.904 437 L HN 0.225 nan 8.230 nan 0.000 0.435 438 L N -0.964 120.297 121.223 0.062 0.000 2.072 438 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 438 L C 2.427 179.339 176.870 0.070 0.000 1.079 438 L CA 1.088 55.965 54.840 0.063 0.000 0.752 438 L CB -0.447 41.634 42.059 0.036 0.000 0.906 438 L HN 0.256 nan 8.230 nan 0.000 0.436 439 E N -0.253 119.981 120.200 0.056 0.000 2.058 439 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 439 E C 2.299 178.948 176.600 0.080 0.000 0.997 439 E CA 1.127 57.556 56.400 0.048 0.000 0.801 439 E CB 0.033 29.754 29.700 0.035 0.000 0.746 439 E HN 0.403 nan 8.360 nan 0.000 0.450 440 Q N -0.614 119.261 119.800 0.124 0.000 2.135 440 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 440 Q C 2.229 178.393 176.000 0.274 0.000 0.981 440 Q CA 1.519 57.448 55.803 0.211 0.000 0.856 440 Q CB -0.362 28.540 28.738 0.274 0.000 0.902 440 Q HN 0.364 nan 8.270 nan 0.000 0.425 441 G N 0.941 109.889 108.800 0.247 0.000 2.402 441 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 441 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 441 G C 1.493 176.474 174.900 0.135 0.000 1.162 441 G CA 0.735 45.984 45.100 0.249 0.000 0.777 441 G HN 0.339 nan 8.290 nan 0.000 0.539 442 L N 1.819 123.091 121.223 0.082 0.000 2.012 442 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 442 L C 2.796 179.664 176.870 -0.003 0.000 1.073 442 L CA 2.532 57.392 54.840 0.034 0.000 0.748 442 L CB -0.561 41.511 42.059 0.021 0.000 0.891 442 L HN 0.418 nan 8.230 nan 0.000 0.431 443 R N -1.973 118.516 120.500 -0.019 0.000 2.339 443 R HA -0.077 4.263 4.340 -0.000 0.000 0.199 443 R C 0.232 176.351 176.300 -0.302 0.000 1.018 443 R CA 1.272 57.294 56.100 -0.131 0.000 1.036 443 R CB -0.690 29.528 30.300 -0.138 0.000 0.899 443 R HN 0.524 nan 8.270 nan 0.000 0.473 444 H N 0.275 119.239 119.070 -0.177 0.000 2.549 444 H HA 0.164 4.720 4.556 -0.000 0.000 0.253 444 H C 1.001 176.247 175.328 -0.137 0.000 1.170 444 H CA 0.154 56.034 56.048 -0.279 0.000 0.943 444 H CB 1.193 30.515 29.762 -0.734 0.000 1.849 444 H HN 0.300 nan 8.280 nan 0.000 0.603 445 S N -0.196 115.507 115.700 0.006 0.000 2.407 445 S HA -0.268 4.202 4.470 -0.000 0.000 0.235 445 S C 1.765 176.372 174.600 0.011 0.000 1.036 445 S CA 1.315 59.525 58.200 0.018 0.000 1.013 445 S CB 0.082 63.282 63.200 -0.001 0.000 0.820 445 S HN 0.312 nan 8.310 nan 0.000 0.476 446 Q N 1.056 120.854 119.800 -0.003 0.000 2.360 446 Q HA 0.303 4.643 4.340 -0.000 0.000 0.202 446 Q C -0.273 175.736 176.000 0.015 0.000 0.915 446 Q CA 0.257 56.059 55.803 -0.002 0.000 0.943 446 Q CB 0.012 28.742 28.738 -0.014 0.000 1.064 446 Q HN 0.489 nan 8.270 nan 0.000 0.511 447 D N 0.057 120.479 120.400 0.038 0.000 2.441 447 D HA 0.086 4.726 4.640 -0.000 0.000 0.221 447 D C 0.679 177.044 176.300 0.107 0.000 1.156 447 D CA -0.021 54.020 54.000 0.068 0.000 0.896 447 D CB 0.475 41.309 40.800 0.056 0.000 1.028 447 D HN 0.147 nan 8.370 nan 0.000 0.509 448 L N 2.556 123.818 121.223 0.066 0.000 2.109 448 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 448 L C 2.445 179.356 176.870 0.067 0.000 1.086 448 L CA 0.897 55.765 54.840 0.045 0.000 0.760 448 L CB -0.330 41.735 42.059 0.011 0.000 0.910 448 L HN 0.361 nan 8.230 nan 0.000 0.437 449 A N -0.072 122.794 122.820 0.077 0.000 1.972 449 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 449 A C 2.176 179.809 177.584 0.082 0.000 1.169 449 A CA 1.395 53.473 52.037 0.067 0.000 0.635 449 A CB -0.741 18.295 19.000 0.061 0.000 0.810 449 A HN 0.390 nan 8.150 nan 0.000 0.446 450 F N 0.577 120.504 119.950 -0.038 0.000 2.084 450 F HA -0.121 4.406 4.527 -0.000 0.000 0.296 450 F C 1.977 177.746 175.800 -0.053 0.000 1.111 450 F CA 1.811 59.768 58.000 -0.072 0.000 1.224 450 F CB -0.183 38.743 39.000 -0.123 0.000 0.991 450 F HN 0.134 nan 8.300 nan 0.000 0.471 451 L N -0.808 120.543 121.223 0.213 0.000 2.083 451 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 451 L C 2.715 179.586 176.870 0.001 0.000 1.083 451 L CA 1.469 56.372 54.840 0.106 0.000 0.752 451 L CB -1.160 40.957 42.059 0.098 0.000 0.899 451 L HN 0.225 nan 8.230 nan 0.000 0.433 452 S N -0.154 115.549 115.700 0.006 0.000 2.370 452 S HA -0.249 4.221 4.470 -0.000 0.000 0.226 452 S C 2.039 176.614 174.600 -0.042 0.000 1.033 452 S CA 1.521 59.719 58.200 -0.003 0.000 1.011 452 S CB -0.162 63.047 63.200 0.015 0.000 0.852 452 S HN 0.343 nan 8.310 nan 0.000 0.457 453 M N 0.734 120.279 119.600 -0.092 0.000 2.156 453 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 453 M C 1.885 178.084 176.300 -0.169 0.000 1.067 453 M CA 1.438 56.654 55.300 -0.139 0.000 1.131 453 M CB -0.796 31.683 32.600 -0.201 0.000 1.368 453 M HN 0.397 nan 8.290 nan 0.000 0.416 454 L N 0.425 121.514 121.223 -0.223 0.000 2.131 454 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 454 L C 2.102 178.916 176.870 -0.093 0.000 1.092 454 L CA 0.923 55.656 54.840 -0.178 0.000 0.759 454 L CB -0.987 40.967 42.059 -0.174 0.000 0.903 454 L HN 0.363 nan 8.230 nan 0.000 0.435 455 N N -0.025 118.634 118.700 -0.070 0.000 2.135 455 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 455 N C 1.431 176.913 175.510 -0.045 0.000 1.027 455 N CA 1.219 54.235 53.050 -0.056 0.000 0.849 455 N CB -0.298 38.173 38.487 -0.026 0.000 1.002 455 N HN 0.301 nan 8.380 nan 0.000 0.425 456 D N 0.982 121.360 120.400 -0.036 0.000 2.190 456 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 456 D C 1.971 178.259 176.300 -0.021 0.000 0.992 456 D CA 0.632 54.618 54.000 -0.023 0.000 0.854 456 D CB -0.050 40.734 40.800 -0.026 0.000 0.936 456 D HN 0.328 nan 8.370 nan 0.000 0.462 457 I N 1.263 121.812 120.570 -0.036 0.000 2.315 457 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 457 I C 2.502 178.625 176.117 0.011 0.000 1.117 457 I CA 0.625 61.911 61.300 -0.023 0.000 1.404 457 I CB -0.131 37.843 38.000 -0.043 0.000 1.071 457 I HN -0.097 nan 8.210 nan 0.000 0.419 458 A N 0.897 123.725 122.820 0.014 0.000 2.125 458 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 458 A C 1.752 179.432 177.584 0.160 0.000 1.156 458 A CA 1.039 53.125 52.037 0.081 0.000 0.671 458 A CB -0.655 18.332 19.000 -0.020 0.000 0.794 458 A HN 0.363 nan 8.150 nan 0.000 0.459 459 A N 0.493 123.369 122.820 0.094 0.000 3.051 459 A HA 0.470 4.790 4.320 -0.000 0.000 0.275 459 A C -0.280 177.340 177.584 0.061 0.000 1.900 459 A CA 0.172 52.262 52.037 0.089 0.000 1.496 459 A CB -0.917 18.114 19.000 0.051 0.000 1.013 459 A HN 0.391 nan 8.150 nan 0.000 0.611 460 V N 4.196 124.150 119.914 0.067 0.000 2.569 460 V HA 0.313 4.433 4.120 -0.000 0.000 0.301 460 V C -2.338 173.768 176.094 0.019 0.000 1.044 460 V CA -1.595 60.728 62.300 0.037 0.000 0.874 460 V CB 2.021 33.867 31.823 0.039 0.000 1.002 460 V HN 0.635 nan 8.190 nan 0.000 0.424 461 P HA 0.060 nan 4.420 nan 0.000 0.266 461 P C 0.839 178.123 177.300 -0.027 0.000 1.193 461 P CA 0.199 63.289 63.100 -0.016 0.000 0.770 461 P CB 0.891 32.582 31.700 -0.015 0.000 0.836 462 A N 3.139 125.928 122.820 -0.052 0.000 1.986 462 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 462 A C 2.182 179.732 177.584 -0.057 0.000 1.171 462 A CA 2.355 54.350 52.037 -0.071 0.000 0.640 462 A CB -1.817 17.123 19.000 -0.101 0.000 0.811 462 A HN 0.579 nan 8.150 nan 0.000 0.451 463 T N 0.111 114.638 114.554 -0.045 0.000 2.594 463 T HA -0.267 4.083 4.350 -0.000 0.000 0.266 463 T C 2.123 176.813 174.700 -0.017 0.000 1.070 463 T CA 2.563 64.644 62.100 -0.032 0.000 1.166 463 T CB -0.497 68.356 68.868 -0.025 0.000 0.862 463 T HN 0.702 nan 8.240 nan 0.000 0.436 464 A N 0.065 122.881 122.820 -0.007 0.000 1.878 464 A HA 0.352 4.672 4.320 -0.000 0.000 0.213 464 A C 1.318 178.916 177.584 0.024 0.000 1.192 464 A CA 0.660 52.701 52.037 0.008 0.000 0.619 464 A CB -0.002 19.003 19.000 0.009 0.000 0.837 464 A HN 0.492 nan 8.150 nan 0.000 0.446 465 M N 0.463 120.077 119.600 0.023 0.000 1.998 465 M HA 0.265 4.745 4.480 -0.000 0.000 0.289 465 M C -2.271 174.046 176.300 0.028 0.000 0.886 465 M CA -1.653 53.681 55.300 0.057 0.000 0.853 465 M CB 2.471 35.112 32.600 0.068 0.000 1.462 465 M HN 0.027 nan 8.290 nan 0.000 0.375 466 P HA -0.028 nan 4.420 nan 0.000 0.239 466 P C -0.410 176.653 177.300 -0.395 0.000 1.184 466 P CA 0.985 63.965 63.100 -0.200 0.000 0.760 466 P CB -0.066 31.470 31.700 -0.274 0.000 0.884 467 F N 0.049 119.992 119.950 -0.012 0.000 2.469 467 F HA 0.512 5.039 4.527 -0.000 0.000 0.332 467 F C 1.056 176.856 175.800 -0.000 0.000 1.103 467 F CA -0.697 57.300 58.000 -0.005 0.000 0.979 467 F CB 1.804 40.807 39.000 0.006 0.000 1.137 467 F HN -0.412 nan 8.300 nan 0.000 0.463 468 R N 0.621 121.211 120.500 0.151 0.000 2.837 468 R HA 0.868 5.208 4.340 -0.000 0.000 0.271 468 R C -0.685 175.731 176.300 0.193 0.000 0.993 468 R CA -1.071 55.106 56.100 0.129 0.000 0.931 468 R CB 2.451 32.674 30.300 -0.128 0.000 1.206 468 R HN 0.859 nan 8.270 nan 0.000 0.474 469 G N 0.375 109.338 108.800 0.271 0.000 2.692 469 G HA2 0.538 4.498 3.960 -0.000 0.000 0.291 469 G HA3 0.538 4.498 3.960 -0.000 0.000 0.291 469 G C -2.075 172.998 174.900 0.288 0.000 1.423 469 G CA -0.593 44.636 45.100 0.215 0.000 0.843 469 G HN 0.528 nan 8.290 nan 0.000 0.486 470 Y N -1.709 118.645 120.300 0.090 0.000 2.588 470 Y HA 0.875 5.425 4.550 -0.000 0.000 0.343 470 Y C -0.519 175.401 175.900 0.033 0.000 1.065 470 Y CA -1.430 56.698 58.100 0.047 0.000 1.038 470 Y CB 1.765 40.245 38.460 0.034 0.000 1.297 470 Y HN 1.236 nan 8.280 nan 0.000 0.467 471 A N 1.601 124.494 122.820 0.123 0.000 2.488 471 A HA 0.627 4.947 4.320 -0.000 0.000 0.295 471 A C -2.040 175.639 177.584 0.159 0.000 1.045 471 A CA -0.777 51.286 52.037 0.043 0.000 0.703 471 A CB 1.433 20.434 19.000 0.002 0.000 1.271 471 A HN 0.776 nan 8.150 nan 0.000 0.400 472 V N 3.976 123.990 119.914 0.167 0.000 2.372 472 V HA 0.207 4.327 4.120 -0.000 0.000 0.261 472 V C 0.051 176.199 176.094 0.089 0.000 1.055 472 V CA 0.073 62.461 62.300 0.147 0.000 0.930 472 V CB 0.340 32.266 31.823 0.171 0.000 1.031 472 V HN 0.692 nan 8.190 nan 0.000 0.479 473 L N 5.459 126.720 121.223 0.065 0.000 2.331 473 L HA 0.705 5.045 4.340 -0.000 0.000 0.278 473 L C 0.941 177.831 176.870 0.033 0.000 1.106 473 L CA 0.410 55.274 54.840 0.039 0.000 0.824 473 L CB 0.657 42.733 42.059 0.028 0.000 1.142 473 L HN 0.867 nan 8.230 nan 0.000 0.443 474 G N 1.797 110.616 108.800 0.031 0.000 2.699 474 G HA2 0.331 4.291 3.960 -0.000 0.000 0.686 474 G HA3 0.331 4.291 3.960 -0.000 0.000 0.686 474 G C -0.089 174.843 174.900 0.053 0.000 1.301 474 G CA -0.453 44.669 45.100 0.036 0.000 0.816 474 G HN 1.305 nan 8.290 nan 0.000 0.595 475 G N -1.201 107.630 108.800 0.052 0.000 2.785 475 G HA2 0.473 4.433 3.960 -0.000 0.000 0.685 475 G HA3 0.473 4.433 3.960 -0.000 0.000 0.685 475 G C 0.754 175.688 174.900 0.058 0.000 1.480 475 G CA 1.082 46.220 45.100 0.064 0.000 0.915 475 G HN 2.509 nan 8.290 nan 0.000 0.576 476 E N 0.784 121.016 120.200 0.054 0.000 1.999 476 E HA 0.282 4.632 4.350 -0.000 0.000 0.194 476 E C 2.614 179.247 176.600 0.054 0.000 0.995 476 E CA 2.857 59.281 56.400 0.040 0.000 0.825 476 E CB -0.900 28.813 29.700 0.021 0.000 0.777 476 E HN 2.353 nan 8.360 nan 0.000 0.459 477 R N 1.406 121.955 120.500 0.081 0.000 4.218 477 R HA 0.400 4.740 4.340 -0.000 0.000 0.208 477 R C 1.053 177.410 176.300 0.095 0.000 2.100 477 R CA 0.488 56.645 56.100 0.095 0.000 1.727 477 R CB -1.675 28.712 30.300 0.146 0.000 1.186 477 R HN 0.721 nan 8.270 nan 0.000 0.645 478 G N -0.225 108.617 108.800 0.069 0.000 2.355 478 G HA2 0.536 4.496 3.960 -0.000 0.000 0.276 478 G HA3 0.536 4.496 3.960 -0.000 0.000 0.276 478 G C 0.250 175.161 174.900 0.019 0.000 1.198 478 G CA 0.273 45.405 45.100 0.053 0.000 0.876 478 G HN 1.002 nan 8.290 nan 0.000 0.478 479 G N 2.726 111.519 108.800 -0.012 0.000 2.556 479 G HA2 0.633 4.593 3.960 -0.000 0.000 0.294 479 G HA3 0.633 4.593 3.960 -0.000 0.000 0.294 479 G C -3.271 171.552 174.900 -0.128 0.000 1.516 479 G CA -0.823 44.248 45.100 -0.048 0.000 0.824 479 G HN 0.587 nan 8.290 nan 0.000 0.535 480 P HA 0.495 nan 4.420 nan 0.000 0.290 480 P C -1.095 176.043 177.300 -0.270 0.000 1.276 480 P CA -0.305 62.667 63.100 -0.213 0.000 0.808 480 P CB 2.016 33.650 31.700 -0.111 0.000 0.966 481 E N 1.766 121.680 120.200 -0.478 0.000 2.151 481 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 481 E C -0.513 176.001 176.600 -0.142 0.000 0.936 481 E CA -0.815 55.398 56.400 -0.313 0.000 0.777 481 E CB 2.111 31.584 29.700 -0.378 0.000 1.108 481 E HN 0.163 nan 8.360 nan 0.000 0.401 482 V N 2.644 122.540 119.914 -0.029 0.000 2.823 482 V HA 0.559 4.679 4.120 -0.000 0.000 0.312 482 V C -0.328 175.823 176.094 0.095 0.000 1.072 482 V CA -0.764 61.567 62.300 0.053 0.000 0.937 482 V CB 2.144 33.994 31.823 0.045 0.000 1.013 482 V HN 0.641 nan 8.190 nan 0.000 0.430 483 Q N 2.265 122.155 119.800 0.150 0.000 2.503 483 Q HA 0.395 4.734 4.340 -0.000 0.000 0.268 483 Q C -1.350 174.698 176.000 0.081 0.000 0.982 483 Q CA -0.751 55.124 55.803 0.120 0.000 0.907 483 Q CB 2.094 30.875 28.738 0.073 0.000 1.467 483 Q HN 0.848 nan 8.270 nan 0.000 0.394 484 Q N 1.958 121.741 119.800 -0.029 0.000 2.313 484 Q HA 0.451 4.791 4.340 -0.000 0.000 0.266 484 Q C -1.511 174.355 176.000 -0.223 0.000 0.989 484 Q CA -0.186 55.401 55.803 -0.360 0.000 0.890 484 Q CB 1.336 29.797 28.738 -0.462 0.000 1.200 484 Q HN 0.396 nan 8.270 nan 0.000 0.396 485 V N 7.061 126.821 119.914 -0.258 0.000 2.394 485 V HA 0.426 4.546 4.120 -0.000 0.000 0.282 485 V C -1.931 174.069 176.094 -0.156 0.000 1.031 485 V CA -1.799 60.402 62.300 -0.165 0.000 0.881 485 V CB 1.041 32.768 31.823 -0.160 0.000 0.982 485 V HN 0.938 nan 8.190 nan 0.000 0.451 486 P HA 0.149 nan 4.420 nan 0.000 0.268 486 P C -0.282 176.952 177.300 -0.109 0.000 1.204 486 P CA -0.056 62.983 63.100 -0.101 0.000 0.768 486 P CB 0.737 32.396 31.700 -0.069 0.000 0.842 487 A N 3.174 125.929 122.820 -0.108 0.000 2.537 487 A HA 0.458 4.778 4.320 -0.000 0.000 0.260 487 A C 0.866 178.391 177.584 -0.099 0.000 1.082 487 A CA 0.706 52.686 52.037 -0.095 0.000 0.765 487 A CB -0.916 18.035 19.000 -0.082 0.000 1.019 487 A HN 0.705 nan 8.150 nan 0.000 0.507 488 G N 1.829 110.577 108.800 -0.086 0.000 2.740 488 G HA2 0.542 4.502 3.960 -0.000 0.000 0.296 488 G HA3 0.542 4.502 3.960 -0.000 0.000 0.296 488 G C -1.004 173.859 174.900 -0.061 0.000 1.439 488 G CA -0.381 44.667 45.100 -0.086 0.000 1.066 488 G HN 0.482 nan 8.290 nan 0.000 0.527 489 E N 1.817 121.983 120.200 -0.058 0.000 2.916 489 E HA 0.195 4.545 4.350 -0.000 0.000 0.217 489 E C 0.037 176.629 176.600 -0.014 0.000 1.100 489 E CA -0.355 56.025 56.400 -0.033 0.000 0.891 489 E CB 0.981 30.662 29.700 -0.031 0.000 1.311 489 E HN 0.476 nan 8.360 nan 0.000 0.421 490 R N 2.329 122.832 120.500 0.005 0.000 2.297 490 R HA 0.360 4.700 4.340 -0.000 0.000 0.308 490 R C -2.073 174.273 176.300 0.077 0.000 1.029 490 R CA -1.577 54.554 56.100 0.052 0.000 0.929 490 R CB 0.935 31.271 30.300 0.060 0.000 1.046 490 R HN 0.145 nan 8.270 nan 0.000 0.461 491 P HA 0.130 nan 4.420 nan 0.000 0.284 491 P C -1.101 176.339 177.300 0.234 0.000 1.253 491 P CA -0.618 62.574 63.100 0.153 0.000 0.800 491 P CB 1.024 32.877 31.700 0.254 0.000 0.961 492 L N 4.137 125.416 121.223 0.093 0.000 2.282 492 L HA 0.553 4.893 4.340 -0.000 0.000 0.288 492 L C -1.419 175.460 176.870 0.015 0.000 1.033 492 L CA -0.191 54.724 54.840 0.125 0.000 0.807 492 L CB 0.496 42.587 42.059 0.054 0.000 1.209 492 L HN 0.293 nan 8.230 nan 0.000 0.423 493 W N 5.042 126.381 121.300 0.066 0.000 2.702 493 W HA 0.515 5.175 4.660 -0.000 0.000 0.331 493 W C -0.907 175.803 176.519 0.317 0.000 1.049 493 W CA -0.333 57.058 57.345 0.076 0.000 1.230 493 W CB 1.496 30.991 29.460 0.058 0.000 1.408 493 W HN 0.263 nan 8.180 nan 0.000 0.492 494 F N 5.154 125.197 119.950 0.154 0.000 2.415 494 F HA 0.438 4.965 4.527 -0.000 0.000 0.348 494 F C 0.140 176.036 175.800 0.160 0.000 1.119 494 F CA -1.157 56.908 58.000 0.108 0.000 1.069 494 F CB 0.985 39.991 39.000 0.010 0.000 1.124 494 F HN -0.176 nan 8.300 nan 0.000 0.472 495 I N 3.642 124.407 120.570 0.325 0.000 2.330 495 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 495 I C -0.365 175.878 176.117 0.211 0.000 1.001 495 I CA -0.759 60.714 61.300 0.289 0.000 1.193 495 I CB 0.973 39.153 38.000 0.299 0.000 1.345 495 I HN 0.540 nan 8.210 nan 0.000 0.461 496 C N 5.151 124.574 119.300 0.205 0.000 2.303 496 C HA 0.438 4.898 4.460 -0.000 0.000 0.341 496 C C 1.260 176.340 174.990 0.151 0.000 1.244 496 C CA -0.393 58.707 59.018 0.137 0.000 1.765 496 C CB -0.154 27.647 27.740 0.100 0.000 2.379 496 C HN 0.786 nan 8.230 nan 0.000 0.530 497 S N 1.705 117.451 115.700 0.077 0.000 2.624 497 S HA 0.574 5.044 4.470 -0.000 0.000 0.263 497 S C 0.915 175.524 174.600 0.015 0.000 1.287 497 S CA -0.073 58.130 58.200 0.005 0.000 0.990 497 S CB 1.013 64.170 63.200 -0.071 0.000 0.950 497 S HN 0.974 nan 8.310 nan 0.000 0.561 498 G N 0.085 108.863 108.800 -0.036 0.000 3.134 498 G HA2 0.515 4.475 3.960 -0.000 0.000 0.158 498 G HA3 0.515 4.475 3.960 -0.000 0.000 0.158 498 G C -0.380 174.485 174.900 -0.057 0.000 1.334 498 G CA -0.710 44.400 45.100 0.016 0.000 1.001 498 G HN 0.562 nan 8.290 nan 0.000 0.600 499 M N -0.075 119.491 119.600 -0.056 0.000 2.228 499 M HA 0.441 4.921 4.480 -0.000 0.000 0.326 499 M C 1.265 177.573 176.300 0.013 0.000 1.122 499 M CA 1.277 56.548 55.300 -0.047 0.000 1.161 499 M CB 1.235 33.777 32.600 -0.097 0.000 1.437 499 M HN 0.978 nan 8.290 nan 0.000 0.465 500 G N -0.367 108.477 108.800 0.073 0.000 2.194 500 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.236 500 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.236 500 G C 0.613 175.583 174.900 0.117 0.000 0.987 500 G CA 0.455 45.615 45.100 0.100 0.000 0.635 500 G HN 0.822 nan 8.290 nan 0.000 0.520 501 T N -0.258 114.358 114.554 0.104 0.000 3.129 501 T HA 0.326 4.676 4.350 -0.000 0.000 0.251 501 T C 1.188 176.018 174.700 0.217 0.000 1.117 501 T CA 0.904 63.108 62.100 0.172 0.000 1.034 501 T CB 0.067 69.003 68.868 0.113 0.000 0.968 501 T HN 0.889 nan 8.240 nan 0.000 0.526 502 Q N 1.764 121.628 119.800 0.105 0.000 2.421 502 Q HA 0.245 4.585 4.340 -0.000 0.000 0.255 502 Q C -0.517 175.572 176.000 0.149 0.000 1.013 502 Q CA -0.557 55.215 55.803 -0.052 0.000 0.895 502 Q CB 0.647 29.287 28.738 -0.162 0.000 1.271 502 Q HN 0.746 nan 8.270 nan 0.000 0.460 503 W N -2.177 118.993 121.300 -0.216 0.000 3.275 503 W HA 0.549 5.208 4.660 -0.000 0.000 0.306 503 W C -1.119 175.433 176.519 0.055 0.000 1.259 503 W CA -0.697 56.623 57.345 -0.043 0.000 1.194 503 W CB 0.258 29.683 29.460 -0.057 0.000 1.375 503 W HN 0.846 nan 8.180 nan 0.000 0.564 504 R N 1.168 121.883 120.500 0.358 0.000 2.404 504 R HA 0.521 4.861 4.340 -0.000 0.000 0.315 504 R C 1.092 177.456 176.300 0.106 0.000 1.032 504 R CA 0.999 57.282 56.100 0.305 0.000 0.992 504 R CB -0.635 29.818 30.300 0.255 0.000 0.959 504 R HN 2.185 nan 8.270 nan 0.000 0.428 505 G N 1.371 110.130 108.800 -0.068 0.000 2.176 505 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.232 505 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.232 505 G C 0.525 175.038 174.900 -0.646 0.000 0.986 505 G CA 0.071 45.057 45.100 -0.190 0.000 0.643 505 G HN 0.820 nan 8.290 nan 0.000 0.522 506 M N 0.647 119.502 119.600 -1.242 0.000 2.273 506 M HA 0.236 4.716 4.480 -0.000 0.000 0.424 506 M C 1.734 177.756 176.300 -0.464 0.000 1.461 506 M CA 2.372 56.918 55.300 -1.255 0.000 0.819 506 M CB -0.022 31.980 32.600 -0.996 0.000 2.023 506 M HN 1.564 nan 8.290 nan 0.000 0.510 507 G N 2.824 111.464 108.800 -0.267 0.000 2.168 507 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.263 507 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.263 507 G C 0.578 175.445 174.900 -0.056 0.000 0.977 507 G CA 0.530 45.578 45.100 -0.087 0.000 0.659 507 G HN 0.717 nan 8.290 nan 0.000 0.533 508 L N 0.298 121.487 121.223 -0.057 0.000 2.141 508 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 508 L C 2.896 179.772 176.870 0.010 0.000 1.094 508 L CA 1.783 56.625 54.840 0.004 0.000 0.763 508 L CB -0.465 41.602 42.059 0.013 0.000 0.908 508 L HN 0.404 nan 8.230 nan 0.000 0.437 509 S N 0.104 115.805 115.700 0.001 0.000 2.371 509 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 509 S C 1.906 176.453 174.600 -0.089 0.000 1.029 509 S CA 0.813 59.023 58.200 0.016 0.000 0.978 509 S CB -0.085 63.163 63.200 0.081 0.000 0.833 509 S HN 0.321 nan 8.310 nan 0.000 0.466 510 L N 0.603 121.651 121.223 -0.291 0.000 2.465 510 L HA 0.057 4.397 4.340 -0.000 0.000 0.224 510 L C 2.253 178.820 176.870 -0.505 0.000 1.145 510 L CA 0.412 54.864 54.840 -0.646 0.000 0.834 510 L CB -0.318 40.897 42.059 -1.407 0.000 0.944 510 L HN 0.369 nan 8.230 nan 0.000 0.451 511 M N -0.454 119.053 119.600 -0.154 0.000 2.460 511 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 511 M C 2.117 178.456 176.300 0.066 0.000 1.071 511 M CA 1.435 56.801 55.300 0.111 0.000 1.096 511 M CB -0.328 32.348 32.600 0.128 0.000 1.408 511 M HN 0.049 nan 8.290 nan 0.000 0.463 512 R N -0.575 119.939 120.500 0.023 0.000 2.152 512 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 512 R C 0.096 176.417 176.300 0.035 0.000 1.117 512 R CA 0.541 56.673 56.100 0.053 0.000 0.981 512 R CB -0.538 29.819 30.300 0.095 0.000 0.870 512 R HN 0.309 nan 8.270 nan 0.000 0.451 513 L N 1.877 123.081 121.223 -0.032 0.000 2.319 513 L HA 0.048 4.388 4.340 -0.000 0.000 0.280 513 L C 0.613 177.483 176.870 -0.001 0.000 1.099 513 L CA -0.462 54.327 54.840 -0.085 0.000 0.828 513 L CB 1.078 43.006 42.059 -0.218 0.000 1.150 513 L HN -0.033 nan 8.230 nan 0.000 0.442 514 D N 1.278 121.670 120.400 -0.013 0.000 2.144 514 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 514 D C 2.043 178.348 176.300 0.009 0.000 0.984 514 D CA 1.017 55.022 54.000 0.009 0.000 0.834 514 D CB 0.092 40.896 40.800 0.006 0.000 0.955 514 D HN 0.332 nan 8.370 nan 0.000 0.465 515 R N -0.043 120.453 120.500 -0.008 0.000 2.120 515 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 515 R C 2.062 178.365 176.300 0.006 0.000 1.123 515 R CA 0.462 56.557 56.100 -0.007 0.000 0.975 515 R CB -0.932 29.358 30.300 -0.017 0.000 0.866 515 R HN 0.270 nan 8.270 nan 0.000 0.446 516 F N 1.557 121.436 119.950 -0.118 0.000 2.098 516 F HA -0.190 4.337 4.527 -0.000 0.000 0.294 516 F C 2.420 178.167 175.800 -0.088 0.000 1.107 516 F CA 1.996 59.922 58.000 -0.123 0.000 1.234 516 F CB -0.155 38.743 39.000 -0.171 0.000 1.002 516 F HN 0.016 nan 8.300 nan 0.000 0.472 517 R N 0.252 120.824 120.500 0.121 0.000 2.115 517 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 517 R C 1.609 177.875 176.300 -0.057 0.000 1.111 517 R CA 1.843 57.962 56.100 0.032 0.000 0.976 517 R CB -1.339 29.009 30.300 0.079 0.000 0.870 517 R HN 0.158 nan 8.270 nan 0.000 0.445 518 D N 0.718 121.090 120.400 -0.047 0.000 2.104 518 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 518 D C 1.899 178.137 176.300 -0.104 0.000 0.994 518 D CA 1.858 55.822 54.000 -0.059 0.000 0.830 518 D CB -0.529 40.249 40.800 -0.037 0.000 0.959 518 D HN 0.332 nan 8.370 nan 0.000 0.452 519 S N -0.040 115.566 115.700 -0.156 0.000 2.359 519 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 519 S C 2.104 176.547 174.600 -0.261 0.000 1.035 519 S CA 0.832 58.902 58.200 -0.218 0.000 1.018 519 S CB -0.262 62.754 63.200 -0.307 0.000 0.876 519 S HN 0.204 nan 8.310 nan 0.000 0.448 520 I N 1.044 121.422 120.570 -0.320 0.000 2.353 520 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 520 I C 2.122 178.150 176.117 -0.148 0.000 1.119 520 I CA 0.854 61.996 61.300 -0.263 0.000 1.417 520 I CB -0.390 37.440 38.000 -0.283 0.000 1.078 520 I HN 0.334 nan 8.210 nan 0.000 0.421 521 L N 0.054 121.209 121.223 -0.114 0.000 2.093 521 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 521 L C 2.949 179.772 176.870 -0.078 0.000 1.085 521 L CA 0.910 55.704 54.840 -0.077 0.000 0.755 521 L CB -0.775 41.250 42.059 -0.056 0.000 0.904 521 L HN 0.129 nan 8.230 nan 0.000 0.435 522 R N -0.036 120.410 120.500 -0.090 0.000 2.096 522 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 522 R C 2.441 178.688 176.300 -0.089 0.000 1.127 522 R CA 1.810 57.862 56.100 -0.080 0.000 0.968 522 R CB -0.909 29.343 30.300 -0.080 0.000 0.861 522 R HN 0.517 nan 8.270 nan 0.000 0.440 523 S N 0.832 116.462 115.700 -0.116 0.000 2.355 523 S HA -0.111 4.359 4.470 -0.000 0.000 0.222 523 S C 1.641 176.196 174.600 -0.075 0.000 1.031 523 S CA 1.415 59.549 58.200 -0.110 0.000 0.993 523 S CB -0.480 62.636 63.200 -0.140 0.000 0.859 523 S HN 0.569 nan 8.310 nan 0.000 0.453 524 D N 1.394 121.751 120.400 -0.072 0.000 2.149 524 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 524 D C 1.962 178.228 176.300 -0.057 0.000 1.001 524 D CA 1.067 55.034 54.000 -0.055 0.000 0.849 524 D CB -0.307 40.462 40.800 -0.053 0.000 0.939 524 D HN 0.297 nan 8.370 nan 0.000 0.449 525 E N 0.425 120.589 120.200 -0.060 0.000 2.106 525 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 525 E C 2.141 178.703 176.600 -0.063 0.000 0.984 525 E CA 0.841 57.205 56.400 -0.061 0.000 0.806 525 E CB -0.456 29.212 29.700 -0.053 0.000 0.750 525 E HN 0.272 nan 8.360 nan 0.000 0.458 526 A N 0.740 123.530 122.820 -0.050 0.000 1.978 526 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 526 A C 2.136 179.705 177.584 -0.026 0.000 1.170 526 A CA 1.506 53.525 52.037 -0.030 0.000 0.636 526 A CB -0.116 18.870 19.000 -0.022 0.000 0.810 526 A HN 0.140 nan 8.150 nan 0.000 0.448 527 V N -0.520 119.371 119.914 -0.038 0.000 3.319 527 V HA 0.061 4.181 4.120 -0.000 0.000 0.317 527 V C 1.723 177.768 176.094 -0.082 0.000 1.411 527 V CA 0.668 62.959 62.300 -0.015 0.000 1.112 527 V CB -0.180 31.643 31.823 -0.001 0.000 1.031 527 V HN 0.673 nan 8.190 nan 0.000 0.448 528 K N 2.247 122.574 120.400 -0.122 0.000 2.044 528 K HA -0.086 4.234 4.320 -0.000 0.000 0.210 528 K C -1.126 175.344 176.600 -0.217 0.000 1.049 528 K CA 1.370 57.576 56.287 -0.135 0.000 0.927 528 K CB -0.923 31.506 32.500 -0.118 0.000 0.713 528 K HN 0.464 nan 8.250 nan 0.000 0.443 529 P HA 0.012 nan 4.420 nan 0.000 0.274 529 P C -0.218 176.586 177.300 -0.827 0.000 1.246 529 P CA 0.293 63.008 63.100 -0.642 0.000 0.795 529 P CB 0.187 31.356 31.700 -0.886 0.000 1.006 530 F N -2.130 117.722 119.950 -0.164 0.000 2.590 530 F HA -0.231 4.296 4.527 -0.000 0.000 0.471 530 F C 1.322 177.075 175.800 -0.078 0.000 0.551 530 F CA 0.703 58.593 58.000 -0.183 0.000 1.228 530 F CB -2.580 36.082 39.000 -0.564 0.000 1.862 530 F HN 0.643 nan 8.300 nan 0.000 0.271 531 G N 1.348 110.153 108.800 0.007 0.000 2.272 531 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.280 531 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.280 531 G C -0.450 174.477 174.900 0.045 0.000 1.067 531 G CA 0.343 45.452 45.100 0.015 0.000 0.902 531 G HN 0.538 nan 8.290 nan 0.000 0.500 532 L N -1.108 120.138 121.223 0.039 0.000 2.370 532 L HA 0.693 5.033 4.340 -0.000 0.000 0.266 532 L C 0.185 177.054 176.870 -0.002 0.000 1.002 532 L CA -1.016 53.850 54.840 0.042 0.000 0.818 532 L CB 2.401 44.525 42.059 0.109 0.000 1.325 532 L HN 0.045 nan 8.230 nan 0.000 0.418 533 K N 1.248 121.635 120.400 -0.023 0.000 2.535 533 K HA 0.319 4.639 4.320 -0.000 0.000 0.253 533 K C 0.455 177.034 176.600 -0.034 0.000 0.953 533 K CA -0.420 55.847 56.287 -0.033 0.000 0.863 533 K CB 2.232 34.709 32.500 -0.040 0.000 1.111 533 K HN 0.397 nan 8.250 nan 0.000 0.431 534 V N 1.891 121.793 119.914 -0.020 0.000 2.252 534 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 534 V C 2.213 178.303 176.094 -0.007 0.000 1.056 534 V CA 2.517 64.815 62.300 -0.004 0.000 1.022 534 V CB -0.573 31.241 31.823 -0.015 0.000 0.641 534 V HN 0.945 nan 8.190 nan 0.000 0.445 535 S N 1.350 117.037 115.700 -0.021 0.000 2.392 535 S HA -0.410 4.060 4.470 -0.000 0.000 0.232 535 S C 1.986 176.577 174.600 -0.016 0.000 1.041 535 S CA 2.248 60.440 58.200 -0.012 0.000 1.026 535 S CB -0.726 62.463 63.200 -0.018 0.000 0.845 535 S HN 0.866 nan 8.310 nan 0.000 0.465 536 Q N 1.093 120.870 119.800 -0.039 0.000 2.187 536 Q HA 0.086 4.426 4.340 -0.000 0.000 0.199 536 Q C 2.211 178.151 176.000 -0.099 0.000 0.957 536 Q CA 0.887 56.654 55.803 -0.059 0.000 0.857 536 Q CB -0.519 28.180 28.738 -0.066 0.000 0.929 536 Q HN 0.590 nan 8.270 nan 0.000 0.453 537 L N 0.749 121.901 121.223 -0.119 0.000 2.017 537 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 537 L C 2.546 179.375 176.870 -0.069 0.000 1.073 537 L CA 1.119 55.835 54.840 -0.207 0.000 0.745 537 L CB -0.503 41.466 42.059 -0.150 0.000 0.894 537 L HN 0.257 nan 8.230 nan 0.000 0.432 538 L N -0.610 120.666 121.223 0.089 0.000 2.042 538 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 538 L C 2.511 179.403 176.870 0.037 0.000 1.076 538 L CA 1.282 56.198 54.840 0.126 0.000 0.749 538 L CB -0.526 41.571 42.059 0.063 0.000 0.893 538 L HN 0.299 nan 8.230 nan 0.000 0.432 539 L N -0.617 120.605 121.223 -0.001 0.000 2.201 539 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 539 L C 1.607 178.458 176.870 -0.031 0.000 1.105 539 L CA -0.023 54.811 54.840 -0.009 0.000 0.775 539 L CB -0.283 41.769 42.059 -0.012 0.000 0.913 539 L HN 0.177 nan 8.230 nan 0.000 0.440 540 S N 0.074 115.726 115.700 -0.080 0.000 2.626 540 S HA -0.085 4.385 4.470 -0.000 0.000 0.303 540 S C 1.349 175.909 174.600 -0.067 0.000 1.256 540 S CA 0.301 58.434 58.200 -0.110 0.000 1.069 540 S CB 0.471 63.536 63.200 -0.225 0.000 0.807 540 S HN 0.441 nan 8.310 nan 0.000 0.500 541 T N 1.157 115.685 114.554 -0.043 0.000 3.144 541 T HA 0.149 4.499 4.350 -0.000 0.000 0.249 541 T C 0.173 174.861 174.700 -0.021 0.000 1.089 541 T CA -0.347 61.744 62.100 -0.016 0.000 0.989 541 T CB -0.114 68.751 68.868 -0.004 0.000 0.992 541 T HN 0.541 nan 8.240 nan 0.000 0.540 542 D N 1.844 122.211 120.400 -0.055 0.000 2.325 542 D HA 0.339 4.979 4.640 -0.000 0.000 0.251 542 D C 1.391 177.665 176.300 -0.043 0.000 1.196 542 D CA 0.325 54.294 54.000 -0.052 0.000 0.866 542 D CB 1.270 42.025 40.800 -0.076 0.000 1.101 542 D HN 0.484 nan 8.370 nan 0.000 0.476 543 E N 2.041 122.242 120.200 0.002 0.000 2.171 543 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 543 E C 1.640 178.267 176.600 0.044 0.000 0.997 543 E CA 1.825 58.248 56.400 0.039 0.000 0.810 543 E CB -0.567 29.160 29.700 0.045 0.000 0.738 543 E HN 0.513 nan 8.360 nan 0.000 0.467 544 S N -1.308 114.400 115.700 0.013 0.000 2.605 544 S HA 0.043 4.513 4.470 -0.000 0.000 0.217 544 S C 1.961 176.558 174.600 -0.004 0.000 0.958 544 S CA 1.046 59.260 58.200 0.025 0.000 0.919 544 S CB 0.023 63.235 63.200 0.020 0.000 0.780 544 S HN 0.508 nan 8.310 nan 0.000 0.507 545 T N 0.965 115.451 114.554 -0.113 0.000 2.720 545 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 545 T C 0.743 175.320 174.700 -0.205 0.000 1.037 545 T CA 1.174 63.122 62.100 -0.254 0.000 1.144 545 T CB -0.588 67.936 68.868 -0.573 0.000 0.864 545 T HN 0.575 nan 8.240 nan 0.000 0.444 546 F N 0.837 120.856 119.950 0.114 0.000 2.692 546 F HA 0.264 4.791 4.527 0.000 0.000 0.303 546 F C 1.613 177.472 175.800 0.099 0.000 1.114 546 F CA -0.509 57.564 58.000 0.122 0.000 1.361 546 F CB 0.137 39.189 39.000 0.086 0.000 1.063 546 F HN 0.121 nan 8.300 nan 0.000 0.550 547 D N -0.342 120.169 120.400 0.185 0.000 2.269 547 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 547 D C 0.764 177.098 176.300 0.056 0.000 0.963 547 D CA 0.868 54.939 54.000 0.117 0.000 0.864 547 D CB -0.220 40.626 40.800 0.076 0.000 0.936 547 D HN 0.147 nan 8.370 nan 0.000 0.505 548 D N 0.514 120.926 120.400 0.019 0.000 2.348 548 D HA -0.004 4.636 4.640 -0.000 0.000 0.253 548 D C 1.324 177.551 176.300 -0.121 0.000 1.161 548 D CA -0.217 53.700 54.000 -0.139 0.000 0.876 548 D CB 1.035 41.563 40.800 -0.453 0.000 1.160 548 D HN 0.003 nan 8.370 nan 0.000 0.459 549 I N 3.863 124.309 120.570 -0.206 0.000 2.286 549 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 549 I C 1.862 177.714 176.117 -0.442 0.000 1.115 549 I CA 0.904 61.972 61.300 -0.385 0.000 1.392 549 I CB 0.372 38.077 38.000 -0.492 0.000 1.065 549 I HN 0.324 nan 8.210 nan 0.000 0.418 550 V N 0.338 120.066 119.914 -0.310 0.000 2.283 550 V HA -0.310 3.810 4.120 -0.000 0.000 0.243 550 V C 2.190 178.335 176.094 0.086 0.000 1.039 550 V CA 2.228 64.417 62.300 -0.184 0.000 1.016 550 V CB -1.190 30.495 31.823 -0.231 0.000 0.650 550 V HN 0.485 nan 8.190 nan 0.000 0.449 551 H N 0.126 119.227 119.070 0.051 0.000 2.265 551 H HA -0.202 4.354 4.556 -0.000 0.000 0.293 551 H C 2.618 178.126 175.328 0.300 0.000 1.089 551 H CA 1.635 57.777 56.048 0.157 0.000 1.244 551 H CB -0.128 29.691 29.762 0.094 0.000 1.355 551 H HN 0.365 nan 8.280 nan 0.000 0.485 552 S N 0.545 116.503 115.700 0.432 0.000 2.354 552 S HA -0.170 4.300 4.470 -0.000 0.000 0.219 552 S C 1.881 176.691 174.600 0.350 0.000 1.035 552 S CA 1.297 59.709 58.200 0.354 0.000 1.037 552 S CB -0.427 62.962 63.200 0.314 0.000 0.956 552 S HN 0.203 nan 8.310 nan 0.000 0.428 553 F N 1.605 121.599 119.950 0.072 0.000 2.091 553 F HA -0.134 4.393 4.527 0.000 0.000 0.299 553 F C 2.513 178.335 175.800 0.036 0.000 1.103 553 F CA 0.228 58.248 58.000 0.032 0.000 1.228 553 F CB -1.466 37.543 39.000 0.014 0.000 0.984 553 F HN 0.002 nan 8.300 nan 0.000 0.477 554 V N -0.685 119.392 119.914 0.271 0.000 2.295 554 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 554 V C 2.318 178.473 176.094 0.102 0.000 1.049 554 V CA 2.154 64.555 62.300 0.167 0.000 1.024 554 V CB -0.989 30.946 31.823 0.185 0.000 0.648 554 V HN 0.300 nan 8.190 nan 0.000 0.447 555 S N -0.083 115.693 115.700 0.127 0.000 2.383 555 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 555 S C 1.913 176.492 174.600 -0.036 0.000 1.026 555 S CA 1.244 59.472 58.200 0.046 0.000 0.981 555 S CB -0.346 62.907 63.200 0.088 0.000 0.818 555 S HN 0.430 nan 8.310 nan 0.000 0.472 556 L N 1.185 122.393 121.223 -0.024 0.000 1.971 556 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 556 L C 2.802 179.652 176.870 -0.034 0.000 1.072 556 L CA 1.528 56.345 54.840 -0.038 0.000 0.758 556 L CB -1.342 40.704 42.059 -0.022 0.000 0.889 556 L HN 0.299 nan 8.230 nan 0.000 0.433 557 T N -0.308 114.230 114.554 -0.027 0.000 2.746 557 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 557 T C 1.954 176.599 174.700 -0.091 0.000 1.039 557 T CA 1.330 63.401 62.100 -0.048 0.000 1.142 557 T CB -0.285 68.564 68.868 -0.032 0.000 0.866 557 T HN 0.465 nan 8.240 nan 0.000 0.444 558 A N 1.130 123.894 122.820 -0.092 0.000 1.902 558 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 558 A C 2.306 179.775 177.584 -0.192 0.000 1.181 558 A CA 1.234 53.177 52.037 -0.157 0.000 0.623 558 A CB -0.777 18.147 19.000 -0.127 0.000 0.818 558 A HN 0.517 nan 8.150 nan 0.000 0.443 559 I N -0.594 119.910 120.570 -0.110 0.000 2.226 559 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 559 I C 2.787 178.907 176.117 0.006 0.000 1.100 559 I CA 1.544 62.826 61.300 -0.030 0.000 1.374 559 I CB -0.490 37.541 38.000 0.051 0.000 1.057 559 I HN 0.482 nan 8.210 nan 0.000 0.413 560 Q N 0.476 120.268 119.800 -0.014 0.000 2.124 560 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 560 Q C 2.331 178.325 176.000 -0.009 0.000 0.977 560 Q CA 1.458 57.265 55.803 0.007 0.000 0.850 560 Q CB -0.059 28.681 28.738 0.002 0.000 0.901 560 Q HN 0.552 nan 8.270 nan 0.000 0.429 561 I N 0.219 120.726 120.570 -0.105 0.000 2.315 561 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 561 I C 2.277 178.332 176.117 -0.103 0.000 1.117 561 I CA 0.997 62.194 61.300 -0.172 0.000 1.404 561 I CB -0.548 37.153 38.000 -0.499 0.000 1.071 561 I HN 0.283 nan 8.210 nan 0.000 0.419 562 G N 1.227 109.889 108.800 -0.230 0.000 2.453 562 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 562 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 562 G C 1.660 176.584 174.900 0.040 0.000 1.201 562 G CA 0.540 45.441 45.100 -0.330 0.000 0.784 562 G HN 0.246 nan 8.290 nan 0.000 0.545 563 L N 0.021 121.338 121.223 0.157 0.000 2.021 563 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 563 L C 2.911 179.828 176.870 0.078 0.000 1.074 563 L CA 1.173 56.095 54.840 0.135 0.000 0.760 563 L CB -0.512 41.620 42.059 0.122 0.000 0.889 563 L HN 0.201 nan 8.230 nan 0.000 0.433 564 I N -0.290 120.322 120.570 0.070 0.000 2.226 564 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 564 I C 2.134 178.325 176.117 0.123 0.000 1.100 564 I CA 1.309 62.664 61.300 0.092 0.000 1.374 564 I CB -0.409 37.717 38.000 0.210 0.000 1.057 564 I HN 0.249 nan 8.210 nan 0.000 0.413 565 D N 0.589 121.070 120.400 0.136 0.000 2.117 565 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 565 D C 2.366 178.708 176.300 0.069 0.000 0.987 565 D CA 1.242 55.302 54.000 0.100 0.000 0.829 565 D CB -0.334 40.506 40.800 0.066 0.000 0.961 565 D HN 0.276 nan 8.370 nan 0.000 0.460 566 L N 0.277 121.541 121.223 0.069 0.000 2.042 566 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 566 L C 2.573 179.520 176.870 0.128 0.000 1.076 566 L CA 0.798 55.677 54.840 0.065 0.000 0.749 566 L CB -0.432 41.618 42.059 -0.014 0.000 0.893 566 L HN 0.064 nan 8.230 nan 0.000 0.432 567 L N -0.650 120.655 121.223 0.138 0.000 2.017 567 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 567 L C 2.793 179.736 176.870 0.123 0.000 1.073 567 L CA 1.592 56.508 54.840 0.127 0.000 0.745 567 L CB -0.655 41.435 42.059 0.051 0.000 0.894 567 L HN 0.323 nan 8.230 nan 0.000 0.432 568 S N -1.413 114.352 115.700 0.107 0.000 2.402 568 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 568 S C 2.030 176.659 174.600 0.048 0.000 1.021 568 S CA 1.052 59.295 58.200 0.072 0.000 0.974 568 S CB -1.054 62.168 63.200 0.036 0.000 0.800 568 S HN 0.471 nan 8.310 nan 0.000 0.484 569 C N 1.170 120.498 119.300 0.048 0.000 2.449 569 C HA 0.252 4.712 4.460 -0.000 0.000 0.283 569 C C 2.009 177.020 174.990 0.035 0.000 1.453 569 C CA 0.459 59.496 59.018 0.031 0.000 1.779 569 C CB -1.487 26.264 27.740 0.019 0.000 1.779 569 C HN 0.587 nan 8.230 nan 0.000 0.546 570 M N -0.404 119.226 119.600 0.050 0.000 2.419 570 M HA 0.219 4.699 4.480 -0.000 0.000 0.252 570 M C 1.360 177.686 176.300 0.043 0.000 1.143 570 M CA 0.804 56.133 55.300 0.048 0.000 0.985 570 M CB 0.170 32.804 32.600 0.058 0.000 1.489 570 M HN 0.379 nan 8.290 nan 0.000 0.484 571 G N 1.520 110.342 108.800 0.037 0.000 2.160 571 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.251 571 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.251 571 G C -0.122 174.794 174.900 0.026 0.000 1.008 571 G CA -0.245 44.869 45.100 0.022 0.000 0.724 571 G HN 0.444 nan 8.290 nan 0.000 0.514 572 L N 0.712 121.971 121.223 0.060 0.000 2.295 572 L HA 0.607 4.947 4.340 -0.000 0.000 0.288 572 L C 1.181 178.080 176.870 0.050 0.000 1.079 572 L CA -0.146 54.744 54.840 0.084 0.000 0.830 572 L CB 0.456 42.619 42.059 0.174 0.000 1.200 572 L HN 0.412 nan 8.230 nan 0.000 0.438 573 R N 5.583 126.049 120.500 -0.057 0.000 2.265 573 R HA 0.587 4.927 4.340 -0.000 0.000 0.319 573 R C -2.655 173.448 176.300 -0.330 0.000 1.006 573 R CA -1.667 54.329 56.100 -0.175 0.000 0.880 573 R CB -0.290 29.921 30.300 -0.147 0.000 1.077 573 R HN 0.383 nan 8.270 nan 0.000 0.454 574 P HA 0.225 nan 4.420 nan 0.000 0.279 574 P C -0.777 176.173 177.300 -0.584 0.000 1.239 574 P CA -0.363 62.221 63.100 -0.860 0.000 0.789 574 P CB 1.335 32.123 31.700 -1.520 0.000 0.933 575 D N 0.947 121.010 120.400 -0.561 0.000 2.249 575 D HA 0.093 4.733 4.640 -0.000 0.000 0.205 575 D C 1.111 176.913 176.300 -0.830 0.000 0.962 575 D CA 1.128 54.801 54.000 -0.545 0.000 0.860 575 D CB 0.193 40.746 40.800 -0.411 0.000 0.955 575 D HN 0.578 nan 8.370 nan 0.000 0.505 576 G N -0.210 107.856 108.800 -1.222 0.000 2.696 576 G HA2 0.636 4.596 3.960 -0.000 0.000 0.295 576 G HA3 0.636 4.596 3.960 -0.000 0.000 0.295 576 G C -1.310 173.157 174.900 -0.722 0.000 1.398 576 G CA -0.564 43.651 45.100 -1.474 0.000 0.920 576 G HN -0.010 nan 8.290 nan 0.000 0.492 577 I N 0.297 120.680 120.570 -0.311 0.000 2.619 577 I HA 0.600 4.770 4.170 -0.000 0.000 0.292 577 I C -0.892 175.351 176.117 0.210 0.000 1.100 577 I CA -1.133 60.134 61.300 -0.055 0.000 1.043 577 I CB 2.645 40.489 38.000 -0.261 0.000 1.239 577 I HN 0.239 nan 8.210 nan 0.000 0.420 578 V N 3.648 123.724 119.914 0.270 0.000 2.817 578 V HA 0.681 4.801 4.120 -0.000 0.000 0.303 578 V C 0.023 176.326 176.094 0.349 0.000 1.151 578 V CA -0.451 62.058 62.300 0.349 0.000 0.929 578 V CB 2.063 34.060 31.823 0.291 0.000 1.030 578 V HN 0.917 nan 8.190 nan 0.000 0.427 579 G N 1.293 110.346 108.800 0.421 0.000 2.489 579 G HA2 0.656 4.616 3.960 -0.000 0.000 0.327 579 G HA3 0.656 4.616 3.960 -0.000 0.000 0.327 579 G C -1.530 173.651 174.900 0.468 0.000 1.189 579 G CA -0.552 44.786 45.100 0.398 0.000 0.962 579 G HN 0.857 nan 8.290 nan 0.000 0.486 580 H N -0.255 118.970 119.070 0.257 0.000 2.727 580 H HA 0.442 4.998 4.556 -0.000 0.000 0.330 580 H C 1.034 176.396 175.328 0.056 0.000 0.986 580 H CA 0.545 56.678 56.048 0.142 0.000 1.251 580 H CB 1.171 30.902 29.762 -0.052 0.000 1.493 580 H HN 1.060 nan 8.280 nan 0.000 0.515 581 S N 3.014 118.671 115.700 -0.071 0.000 4.137 581 S HA -0.428 4.042 4.470 -0.000 0.000 0.541 581 S C 1.476 176.152 174.600 0.127 0.000 1.855 581 S CA 1.577 59.816 58.200 0.065 0.000 4.197 581 S CB -1.171 62.133 63.200 0.173 0.000 0.627 581 S HN 0.677 nan 8.310 nan 0.000 0.490 582 L N 3.421 124.651 121.223 0.013 0.000 2.127 582 L HA 0.186 4.526 4.340 -0.000 0.000 0.211 582 L C 2.726 179.598 176.870 0.002 0.000 1.089 582 L CA 2.787 57.565 54.840 -0.104 0.000 0.757 582 L CB -1.473 40.329 42.059 -0.429 0.000 0.899 582 L HN 0.892 nan 8.230 nan 0.000 0.434 583 G N -1.000 107.834 108.800 0.057 0.000 2.517 583 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.222 583 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.222 583 G C 1.432 176.417 174.900 0.142 0.000 1.109 583 G CA 0.899 46.059 45.100 0.100 0.000 0.746 583 G HN 0.582 nan 8.290 nan 0.000 0.576 584 E N -0.123 120.212 120.200 0.225 0.000 2.265 584 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 584 E C 2.638 179.404 176.600 0.275 0.000 0.996 584 E CA 0.598 57.219 56.400 0.368 0.000 0.832 584 E CB -0.001 30.021 29.700 0.538 0.000 0.756 584 E HN 0.423 nan 8.360 nan 0.000 0.491 585 V N 1.443 121.459 119.914 0.170 0.000 2.244 585 V HA -0.266 3.854 4.120 -0.000 0.000 0.244 585 V C 2.471 178.586 176.094 0.034 0.000 1.042 585 V CA 1.853 64.223 62.300 0.117 0.000 1.006 585 V CB -0.919 30.954 31.823 0.083 0.000 0.641 585 V HN 0.278 nan 8.190 nan 0.000 0.446 586 A N -0.641 122.188 122.820 0.015 0.000 1.927 586 A HA -0.328 3.992 4.320 -0.000 0.000 0.220 586 A C 2.355 179.901 177.584 -0.064 0.000 1.185 586 A CA 2.541 54.585 52.037 0.012 0.000 0.639 586 A CB -1.350 17.661 19.000 0.018 0.000 0.820 586 A HN 0.627 nan 8.150 nan 0.000 0.451 587 C N -1.165 118.006 119.300 -0.215 0.000 2.413 587 C HA -0.044 4.416 4.460 -0.000 0.000 0.277 587 C C 2.971 177.372 174.990 -0.982 0.000 1.265 587 C CA 0.614 59.245 59.018 -0.646 0.000 1.752 587 C CB -1.759 25.418 27.740 -0.937 0.000 1.998 587 C HN 0.737 nan 8.230 nan 0.000 0.489 588 G N -1.442 106.910 108.800 -0.747 0.000 2.421 588 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 588 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 588 G C 1.386 176.175 174.900 -0.185 0.000 1.171 588 G CA 0.999 45.833 45.100 -0.443 0.000 0.775 588 G HN 0.615 nan 8.290 nan 0.000 0.543 589 Y N 1.756 121.938 120.300 -0.195 0.000 2.097 589 Y HA -0.128 4.422 4.550 0.000 0.000 0.282 589 Y C 3.007 178.829 175.900 -0.129 0.000 1.152 589 Y CA 1.850 59.878 58.100 -0.120 0.000 1.136 589 Y CB -0.143 38.267 38.460 -0.083 0.000 0.975 589 Y HN 0.259 nan 8.280 nan 0.000 0.498 590 A N -0.680 122.025 122.820 -0.192 0.000 2.019 590 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 590 A C 1.713 179.123 177.584 -0.290 0.000 1.164 590 A CA 1.950 53.856 52.037 -0.219 0.000 0.644 590 A CB -0.714 18.269 19.000 -0.029 0.000 0.805 590 A HN 0.606 nan 8.150 nan 0.000 0.449 591 D N -1.940 118.260 120.400 -0.334 0.000 2.348 591 D HA 0.222 4.862 4.640 -0.000 0.000 0.211 591 D C 1.271 177.464 176.300 -0.178 0.000 0.998 591 D CA 1.243 55.086 54.000 -0.261 0.000 0.873 591 D CB -0.038 40.609 40.800 -0.255 0.000 0.925 591 D HN 0.529 nan 8.370 nan 0.000 0.524 592 G N -0.828 107.853 108.800 -0.198 0.000 2.136 592 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.242 592 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.242 592 G C 1.288 176.149 174.900 -0.065 0.000 0.989 592 G CA 0.445 45.459 45.100 -0.144 0.000 0.682 592 G HN 0.400 nan 8.290 nan 0.000 0.522 593 C N -0.388 118.892 119.300 -0.035 0.000 2.522 593 C HA 0.476 4.936 4.460 -0.000 0.000 0.280 593 C C 1.421 176.436 174.990 0.042 0.000 1.303 593 C CA 0.613 59.648 59.018 0.028 0.000 1.709 593 C CB -0.781 27.021 27.740 0.104 0.000 2.071 593 C HN 0.503 nan 8.230 nan 0.000 0.492 594 L N 1.473 122.730 121.223 0.056 0.000 2.325 594 L HA 0.408 4.748 4.340 -0.000 0.000 0.278 594 L C 0.514 177.477 176.870 0.156 0.000 1.023 594 L CA 0.013 54.914 54.840 0.101 0.000 0.811 594 L CB 1.318 43.448 42.059 0.118 0.000 1.249 594 L HN 0.245 nan 8.230 nan 0.000 0.431 595 S N 0.976 116.761 115.700 0.143 0.000 2.608 595 S HA 0.044 4.514 4.470 -0.000 0.000 0.261 595 S C 0.816 175.533 174.600 0.197 0.000 1.314 595 S CA -0.151 58.159 58.200 0.184 0.000 0.992 595 S CB 1.221 64.485 63.200 0.107 0.000 0.935 595 S HN 0.787 nan 8.310 nan 0.000 0.564 596 Q N 0.187 120.082 119.800 0.159 0.000 2.096 596 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 596 Q C 1.994 177.939 176.000 -0.092 0.000 0.982 596 Q CA 1.852 57.562 55.803 -0.156 0.000 0.850 596 Q CB -0.207 28.436 28.738 -0.159 0.000 0.901 596 Q HN 0.861 nan 8.270 nan 0.000 0.422 597 E N 0.017 120.211 120.200 -0.010 0.000 2.072 597 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 597 E C 1.883 178.510 176.600 0.044 0.000 0.985 597 E CA 1.191 57.596 56.400 0.009 0.000 0.801 597 E CB 0.091 29.806 29.700 0.026 0.000 0.750 597 E HN 0.485 nan 8.360 nan 0.000 0.452 598 E N 0.551 120.791 120.200 0.067 0.000 2.051 598 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 598 E C 2.060 178.717 176.600 0.094 0.000 0.991 598 E CA 0.991 57.450 56.400 0.098 0.000 0.799 598 E CB -0.123 29.639 29.700 0.102 0.000 0.748 598 E HN 0.178 nan 8.360 nan 0.000 0.449 599 A N 0.958 123.812 122.820 0.058 0.000 1.883 599 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 599 A C 2.523 180.120 177.584 0.021 0.000 1.186 599 A CA 1.372 53.431 52.037 0.036 0.000 0.624 599 A CB -0.793 18.189 19.000 -0.030 0.000 0.822 599 A HN 0.132 nan 8.150 nan 0.000 0.444 600 V N 0.035 119.939 119.914 -0.017 0.000 2.307 600 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 600 V C 2.575 178.696 176.094 0.044 0.000 1.045 600 V CA 1.938 64.231 62.300 -0.011 0.000 1.024 600 V CB -0.652 31.142 31.823 -0.048 0.000 0.651 600 V HN 0.571 nan 8.190 nan 0.000 0.449 601 L N -0.103 121.156 121.223 0.060 0.000 2.083 601 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 601 L C 2.709 179.693 176.870 0.189 0.000 1.083 601 L CA 1.396 56.281 54.840 0.074 0.000 0.752 601 L CB -0.800 41.348 42.059 0.148 0.000 0.899 601 L HN 0.375 nan 8.230 nan 0.000 0.433 602 A N 0.238 123.182 122.820 0.206 0.000 1.908 602 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 602 A C 2.545 180.249 177.584 0.200 0.000 1.181 602 A CA 1.858 54.034 52.037 0.231 0.000 0.627 602 A CB -0.682 18.428 19.000 0.184 0.000 0.818 602 A HN 0.407 nan 8.150 nan 0.000 0.445 603 A N -1.606 121.301 122.820 0.145 0.000 1.933 603 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 603 A C 2.130 179.828 177.584 0.190 0.000 1.175 603 A CA 1.661 53.788 52.037 0.149 0.000 0.628 603 A CB -0.780 18.279 19.000 0.099 0.000 0.814 603 A HN 0.761 nan 8.150 nan 0.000 0.444 604 Y N -1.166 119.115 120.300 -0.031 0.000 2.114 604 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 604 Y C 2.185 177.975 175.900 -0.183 0.000 1.143 604 Y CA 1.929 59.901 58.100 -0.213 0.000 1.135 604 Y CB -0.555 37.568 38.460 -0.562 0.000 0.980 604 Y HN 0.441 nan 8.280 nan 0.000 0.499 605 W N 0.562 121.861 121.300 -0.002 0.000 2.381 605 W HA -0.124 4.536 4.660 -0.000 0.000 0.301 605 W C 2.812 179.282 176.519 -0.083 0.000 1.205 605 W CA 1.171 58.456 57.345 -0.100 0.000 1.285 605 W CB -0.338 29.150 29.460 0.046 0.000 1.133 605 W HN -0.073 nan 8.180 nan 0.000 0.521 606 R N 0.695 121.352 120.500 0.261 0.000 2.112 606 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 606 R C 2.274 178.702 176.300 0.214 0.000 1.137 606 R CA 2.178 58.429 56.100 0.251 0.000 0.944 606 R CB -1.076 29.399 30.300 0.291 0.000 0.857 606 R HN 0.297 nan 8.270 nan 0.000 0.435 607 G N -0.224 108.657 108.800 0.135 0.000 2.404 607 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.215 607 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.215 607 G C 1.336 176.086 174.900 -0.250 0.000 1.174 607 G CA 0.647 45.633 45.100 -0.189 0.000 0.780 607 G HN 0.341 nan 8.290 nan 0.000 0.537 608 Q N 0.037 119.614 119.800 -0.371 0.000 2.084 608 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 608 Q C 2.533 178.484 176.000 -0.081 0.000 0.978 608 Q CA 1.610 57.201 55.803 -0.353 0.000 0.844 608 Q CB -0.938 27.386 28.738 -0.690 0.000 0.898 608 Q HN 0.430 nan 8.270 nan 0.000 0.426 609 C N -0.358 118.957 119.300 0.024 0.000 2.413 609 C HA -0.128 4.332 4.460 -0.000 0.000 0.276 609 C C 2.512 177.503 174.990 0.001 0.000 1.236 609 C CA 0.795 59.841 59.018 0.046 0.000 1.735 609 C CB -1.165 26.617 27.740 0.070 0.000 2.031 609 C HN 0.565 nan 8.230 nan 0.000 0.474 610 I N 0.895 121.463 120.570 -0.004 0.000 2.142 610 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 610 I C 2.633 178.721 176.117 -0.048 0.000 1.078 610 I CA 1.832 63.121 61.300 -0.019 0.000 1.343 610 I CB -0.613 37.397 38.000 0.017 0.000 1.046 610 I HN 0.364 nan 8.210 nan 0.000 0.405 611 K N 1.296 121.650 120.400 -0.076 0.000 2.034 611 K HA -0.279 4.041 4.320 -0.000 0.000 0.214 611 K C 1.945 178.542 176.600 -0.005 0.000 1.051 611 K CA 2.168 58.415 56.287 -0.068 0.000 0.931 611 K CB -0.156 32.275 32.500 -0.115 0.000 0.715 611 K HN 0.373 nan 8.250 nan 0.000 0.446 612 E N -0.386 119.819 120.200 0.008 0.000 2.204 612 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 612 E C 1.853 178.487 176.600 0.057 0.000 0.989 612 E CA 0.740 57.180 56.400 0.067 0.000 0.824 612 E CB -0.065 29.671 29.700 0.058 0.000 0.756 612 E HN 0.474 nan 8.360 nan 0.000 0.477 613 A N 2.051 124.834 122.820 -0.063 0.000 2.070 613 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 613 A C 0.497 177.788 177.584 -0.489 0.000 1.159 613 A CA 0.896 52.790 52.037 -0.238 0.000 0.656 613 A CB -0.851 18.061 19.000 -0.145 0.000 0.800 613 A HN 0.551 nan 8.150 nan 0.000 0.453 614 H N -1.300 117.750 119.070 -0.033 0.000 2.252 614 H HA -0.162 4.394 4.556 -0.000 0.000 0.314 614 H C -0.442 174.864 175.328 -0.036 0.000 0.918 614 H CA 0.668 56.695 56.048 -0.035 0.000 1.042 614 H CB -2.161 27.585 29.762 -0.026 0.000 1.604 614 H HN 0.427 nan 8.280 nan 0.000 0.331 615 L N 2.300 123.496 121.223 -0.044 0.000 2.454 615 L HA 0.382 4.722 4.340 -0.000 0.000 0.256 615 L C -1.027 175.825 176.870 -0.030 0.000 1.136 615 L CA -1.974 52.828 54.840 -0.063 0.000 0.804 615 L CB 0.270 42.274 42.059 -0.092 0.000 1.181 615 L HN 0.308 nan 8.230 nan 0.000 0.469 616 P HA 0.167 nan 4.420 nan 0.000 0.270 616 P C -2.537 174.741 177.300 -0.036 0.000 1.223 616 P CA -0.895 62.190 63.100 -0.024 0.000 0.785 616 P CB -0.427 31.258 31.700 -0.024 0.000 0.923 617 P HA 0.245 nan 4.420 nan 0.000 0.266 617 P C 0.101 177.380 177.300 -0.035 0.000 1.215 617 P CA 0.323 63.405 63.100 -0.030 0.000 0.763 617 P CB 0.405 32.096 31.700 -0.015 0.000 0.806 618 G N 1.362 110.131 108.800 -0.052 0.000 2.735 618 G HA2 0.815 4.775 3.960 -0.000 0.000 0.301 618 G HA3 0.815 4.775 3.960 -0.000 0.000 0.301 618 G C -1.592 173.292 174.900 -0.027 0.000 1.279 618 G CA -0.733 44.337 45.100 -0.050 0.000 1.019 618 G HN 0.652 nan 8.290 nan 0.000 0.497 619 A N -0.673 122.144 122.820 -0.004 0.000 2.605 619 A HA 0.749 5.069 4.320 -0.000 0.000 0.294 619 A C -0.858 176.763 177.584 0.062 0.000 1.062 619 A CA -0.581 51.474 52.037 0.030 0.000 0.682 619 A CB 1.258 20.278 19.000 0.033 0.000 1.278 619 A HN 0.657 nan 8.150 nan 0.000 0.410 620 M N 0.456 120.115 119.600 0.098 0.000 2.644 620 M HA 0.784 5.264 4.480 -0.000 0.000 0.304 620 M C -0.290 176.076 176.300 0.109 0.000 1.215 620 M CA -0.627 54.750 55.300 0.128 0.000 0.871 620 M CB 2.508 35.226 32.600 0.196 0.000 1.740 620 M HN 1.249 nan 8.290 nan 0.000 0.464 621 A N 1.165 124.050 122.820 0.108 0.000 2.517 621 A HA 0.840 5.160 4.320 -0.000 0.000 0.297 621 A C -1.047 176.600 177.584 0.105 0.000 1.050 621 A CA -0.747 51.335 52.037 0.075 0.000 0.694 621 A CB 1.273 20.288 19.000 0.025 0.000 1.277 621 A HN 0.933 nan 8.150 nan 0.000 0.400 622 A N 1.260 124.153 122.820 0.122 0.000 2.450 622 A HA 0.593 4.913 4.320 -0.000 0.000 0.255 622 A C -0.201 177.539 177.584 0.260 0.000 1.096 622 A CA 0.021 52.195 52.037 0.229 0.000 0.778 622 A CB 0.010 19.205 19.000 0.325 0.000 1.031 622 A HN 1.499 nan 8.150 nan 0.000 0.494 623 V N 1.743 121.844 119.914 0.311 0.000 2.841 623 V HA 0.553 4.673 4.120 -0.000 0.000 0.310 623 V C 0.927 177.224 176.094 0.338 0.000 1.090 623 V CA 0.000 62.475 62.300 0.291 0.000 0.930 623 V CB 2.290 34.192 31.823 0.132 0.000 1.014 623 V HN 1.137 nan 8.190 nan 0.000 0.425 624 G N 4.097 113.129 108.800 0.387 0.000 3.562 624 G HA2 0.437 4.397 3.960 -0.000 0.000 0.279 624 G HA3 0.437 4.397 3.960 -0.000 0.000 0.279 624 G C -0.109 174.876 174.900 0.142 0.000 1.314 624 G CA 0.074 45.303 45.100 0.214 0.000 1.189 624 G HN 0.424 nan 8.290 nan 0.000 0.562 625 L N 0.175 121.487 121.223 0.148 0.000 2.286 625 L HA 0.558 4.898 4.340 -0.000 0.000 0.265 625 L C 0.742 177.709 176.870 0.161 0.000 1.012 625 L CA -1.075 53.842 54.840 0.127 0.000 0.818 625 L CB 1.882 44.007 42.059 0.110 0.000 1.337 625 L HN 0.177 nan 8.230 nan 0.000 0.438 626 S N -1.206 114.586 115.700 0.153 0.000 2.645 626 S HA 0.081 4.551 4.470 -0.000 0.000 0.266 626 S C 0.730 175.457 174.600 0.211 0.000 1.258 626 S CA -0.662 57.667 58.200 0.214 0.000 0.990 626 S CB 1.012 64.316 63.200 0.174 0.000 0.967 626 S HN 0.830 nan 8.310 nan 0.000 0.556 627 W N 1.307 122.621 121.300 0.023 0.000 2.354 627 W HA -0.156 4.504 4.660 0.000 0.000 0.315 627 W C 2.497 178.977 176.519 -0.066 0.000 1.206 627 W CA 2.620 59.890 57.345 -0.125 0.000 1.290 627 W CB -1.001 28.153 29.460 -0.510 0.000 1.152 627 W HN 0.991 nan 8.180 nan 0.000 0.489 628 E N 0.715 121.009 120.200 0.156 0.000 2.077 628 E HA -0.300 4.050 4.350 -0.000 0.000 0.193 628 E C 1.738 178.337 176.600 -0.002 0.000 0.989 628 E CA 1.772 58.212 56.400 0.066 0.000 0.800 628 E CB -1.129 28.625 29.700 0.090 0.000 0.746 628 E HN 0.611 nan 8.360 nan 0.000 0.452 629 E N -0.628 119.590 120.200 0.029 0.000 2.077 629 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 629 E C 2.409 179.009 176.600 0.001 0.000 0.989 629 E CA 1.347 57.764 56.400 0.027 0.000 0.800 629 E CB -0.581 29.155 29.700 0.059 0.000 0.746 629 E HN 0.730 nan 8.360 nan 0.000 0.452 630 C N 1.311 120.589 119.300 -0.038 0.000 2.436 630 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 630 C C 2.736 177.627 174.990 -0.165 0.000 1.241 630 C CA 1.752 60.720 59.018 -0.083 0.000 1.721 630 C CB -1.194 26.449 27.740 -0.161 0.000 2.043 630 C HN 0.291 nan 8.230 nan 0.000 0.472 631 K N -0.230 120.006 120.400 -0.273 0.000 2.059 631 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 631 K C 2.750 179.270 176.600 -0.133 0.000 1.050 631 K CA 3.166 59.308 56.287 -0.242 0.000 0.927 631 K CB -1.107 31.259 32.500 -0.223 0.000 0.714 631 K HN 0.959 nan 8.250 nan 0.000 0.447 632 Q N 0.129 119.880 119.800 -0.083 0.000 2.016 632 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 632 Q C 2.247 178.215 176.000 -0.053 0.000 0.978 632 Q CA 1.908 57.680 55.803 -0.052 0.000 0.833 632 Q CB -0.552 28.173 28.738 -0.021 0.000 0.895 632 Q HN 0.671 nan 8.270 nan 0.000 0.427 633 R N -1.116 119.369 120.500 -0.025 0.000 2.275 633 R HA 0.167 4.507 4.340 -0.000 0.000 0.199 633 R C 0.428 176.673 176.300 -0.092 0.000 0.989 633 R CA -0.079 56.027 56.100 0.011 0.000 1.016 633 R CB -0.346 30.024 30.300 0.117 0.000 0.918 633 R HN 0.481 nan 8.270 nan 0.000 0.473 634 C N 3.696 122.897 119.300 -0.164 0.000 2.633 634 C HA 0.118 4.578 4.460 -0.000 0.000 0.415 634 C C -1.496 173.222 174.990 -0.454 0.000 1.393 634 C CA -1.327 57.473 59.018 -0.364 0.000 1.700 634 C CB 0.200 27.802 27.740 -0.230 0.000 2.541 634 C HN 0.303 nan 8.230 nan 0.000 0.603 635 P HA 0.196 nan 4.420 nan 0.000 0.271 635 P C -2.529 174.607 177.300 -0.273 0.000 1.233 635 P CA -1.034 61.793 63.100 -0.454 0.000 0.789 635 P CB -0.287 31.100 31.700 -0.521 0.000 0.951 636 P HA 0.062 nan 4.420 nan 0.000 0.271 636 P C 0.865 178.102 177.300 -0.105 0.000 1.216 636 P CA 0.722 63.748 63.100 -0.123 0.000 0.776 636 P CB 0.177 31.823 31.700 -0.091 0.000 0.881 637 G N 1.121 109.870 108.800 -0.084 0.000 2.179 637 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.260 637 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.260 637 G C -0.142 174.721 174.900 -0.061 0.000 0.977 637 G CA 0.013 45.076 45.100 -0.062 0.000 0.641 637 G HN 0.569 nan 8.290 nan 0.000 0.533 638 V N 1.310 121.169 119.914 -0.092 0.000 2.459 638 V HA 0.739 4.859 4.120 -0.000 0.000 0.295 638 V C 0.463 176.500 176.094 -0.096 0.000 1.029 638 V CA -0.220 62.033 62.300 -0.078 0.000 0.874 638 V CB 1.733 33.497 31.823 -0.099 0.000 0.985 638 V HN 1.130 nan 8.190 nan 0.000 0.438 639 V N 3.346 123.220 119.914 -0.066 0.000 2.876 639 V HA 0.758 4.878 4.120 -0.000 0.000 0.312 639 V C -2.775 173.239 176.094 -0.133 0.000 1.085 639 V CA -2.712 59.523 62.300 -0.108 0.000 0.945 639 V CB 2.234 34.020 31.823 -0.061 0.000 1.017 639 V HN 0.659 nan 8.190 nan 0.000 0.428 640 P HA 0.447 nan 4.420 nan 0.000 0.271 640 P C -0.362 176.820 177.300 -0.196 0.000 1.220 640 P CA 0.442 63.250 63.100 -0.487 0.000 0.768 640 P CB 1.350 32.235 31.700 -1.358 0.000 0.848 644 N N 1.619 120.384 118.700 0.109 0.000 2.387 644 N HA -0.012 4.728 4.740 -0.000 0.000 0.176 644 N C 0.287 175.817 175.510 0.034 0.000 1.022 644 N CA 0.973 54.091 53.050 0.113 0.000 0.883 644 N CB 0.693 39.223 38.487 0.072 0.000 1.019 644 N HN 0.537 nan 8.380 nan 0.000 0.435 645 S N -1.690 113.941 115.700 -0.114 0.000 2.656 645 S HA 0.564 5.033 4.470 -0.000 0.000 0.273 645 S C 0.842 175.380 174.600 -0.104 0.000 1.168 645 S CA -0.279 57.856 58.200 -0.109 0.000 0.817 645 S CB 1.760 64.957 63.200 -0.005 0.000 1.146 645 S HN 0.164 nan 8.310 nan 0.000 0.475 646 K N -0.811 119.589 120.400 -0.001 0.000 2.127 646 K HA 0.062 4.382 4.320 -0.000 0.000 0.208 646 K C 1.223 177.928 176.600 0.176 0.000 1.047 646 K CA 2.500 58.860 56.287 0.122 0.000 0.927 646 K CB -1.886 30.668 32.500 0.090 0.000 0.716 646 K HN 1.192 nan 8.250 nan 0.000 0.450 647 D N -1.463 119.005 120.400 0.113 0.000 2.804 647 D HA 0.517 5.157 4.640 -0.000 0.000 0.308 647 D C 0.358 176.717 176.300 0.098 0.000 1.371 647 D CA 0.485 54.554 54.000 0.115 0.000 0.823 647 D CB 0.006 40.847 40.800 0.067 0.000 1.126 647 D HN 0.815 nan 8.370 nan 0.000 0.467 648 T N 0.073 114.702 114.554 0.124 0.000 3.008 648 T HA 0.580 4.930 4.350 -0.000 0.000 0.328 648 T C -0.671 174.167 174.700 0.230 0.000 1.020 648 T CA -0.501 61.677 62.100 0.130 0.000 1.043 648 T CB 0.912 69.814 68.868 0.057 0.000 1.010 648 T HN 0.278 nan 8.240 nan 0.000 0.466 649 V N 2.844 122.924 119.914 0.277 0.000 2.495 649 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 649 V C 0.468 176.715 176.094 0.255 0.000 1.031 649 V CA -0.817 61.688 62.300 0.343 0.000 0.871 649 V CB 1.827 33.843 31.823 0.322 0.000 0.988 649 V HN 0.854 nan 8.190 nan 0.000 0.432 650 T N 6.404 121.114 114.554 0.260 0.000 2.743 650 T HA 0.536 4.886 4.350 -0.000 0.000 0.293 650 T C 0.057 174.867 174.700 0.183 0.000 0.945 650 T CA 0.025 62.252 62.100 0.213 0.000 1.030 650 T CB 0.240 69.238 68.868 0.218 0.000 0.912 650 T HN 0.618 nan 8.240 nan 0.000 0.483 651 I N 0.917 121.571 120.570 0.141 0.000 2.797 651 I HA 0.838 5.008 4.170 -0.000 0.000 0.310 651 I C 0.148 176.336 176.117 0.119 0.000 0.990 651 I CA -0.492 60.868 61.300 0.101 0.000 1.228 651 I CB 1.587 39.650 38.000 0.105 0.000 1.406 651 I HN 0.479 nan 8.210 nan 0.000 0.534 652 S N 2.050 117.806 115.700 0.093 0.000 2.546 652 S HA 0.929 5.399 4.470 -0.000 0.000 0.274 652 S C -0.556 174.076 174.600 0.052 0.000 1.121 652 S CA 0.192 58.450 58.200 0.098 0.000 0.887 652 S CB 1.420 64.703 63.200 0.140 0.000 1.094 652 S HN 1.438 nan 8.310 nan 0.000 0.474 653 G N 2.691 111.513 108.800 0.037 0.000 2.325 653 G HA2 0.463 4.423 3.960 -0.000 0.000 0.295 653 G HA3 0.463 4.423 3.960 -0.000 0.000 0.295 653 G C -3.594 171.305 174.900 -0.001 0.000 1.274 653 G CA -0.645 44.461 45.100 0.009 0.000 0.857 653 G HN 0.583 nan 8.290 nan 0.000 0.499 654 P HA 0.211 nan 4.420 nan 0.000 0.271 654 P C 0.616 177.917 177.300 0.001 0.000 1.218 654 P CA -0.124 62.969 63.100 -0.012 0.000 0.780 654 P CB 1.106 32.796 31.700 -0.016 0.000 0.901 655 Q N 2.296 122.095 119.800 -0.002 0.000 2.112 655 Q HA -0.275 4.065 4.340 -0.000 0.000 0.206 655 Q C 1.715 177.723 176.000 0.013 0.000 0.987 655 Q CA 2.361 58.168 55.803 0.006 0.000 0.858 655 Q CB -0.469 28.269 28.738 -0.000 0.000 0.905 655 Q HN 0.564 nan 8.270 nan 0.000 0.420 656 A N 1.118 123.943 122.820 0.009 0.000 1.825 656 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 656 A C -0.493 177.105 177.584 0.023 0.000 1.206 656 A CA 1.201 53.245 52.037 0.012 0.000 0.609 656 A CB -1.731 17.271 19.000 0.004 0.000 0.851 656 A HN 0.407 nan 8.150 nan 0.000 0.445 657 P HA -0.148 nan 4.420 nan 0.000 0.216 657 P C 1.727 179.074 177.300 0.079 0.000 1.157 657 P CA 1.799 64.913 63.100 0.022 0.000 0.880 657 P CB -0.368 31.321 31.700 -0.019 0.000 0.791 658 V N -0.293 119.665 119.914 0.073 0.000 2.233 658 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 658 V C 2.945 179.102 176.094 0.104 0.000 1.050 658 V CA 2.978 65.346 62.300 0.115 0.000 1.010 658 V CB -2.028 29.840 31.823 0.075 0.000 0.637 658 V HN 0.052 nan 8.190 nan 0.000 0.444 659 F N 0.160 120.144 119.950 0.058 0.000 2.202 659 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 659 F C 2.333 178.155 175.800 0.037 0.000 1.082 659 F CA 2.327 60.347 58.000 0.033 0.000 1.313 659 F CB -0.890 38.122 39.000 0.020 0.000 1.024 659 F HN 0.388 nan 8.300 nan 0.000 0.495 660 E N -1.167 119.071 120.200 0.064 0.000 2.072 660 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 660 E C 2.087 178.761 176.600 0.123 0.000 0.982 660 E CA 1.315 57.759 56.400 0.073 0.000 0.803 660 E CB -0.479 29.263 29.700 0.070 0.000 0.755 660 E HN 0.621 nan 8.360 nan 0.000 0.453 661 F N 1.141 121.079 119.950 -0.021 0.000 2.234 661 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 661 F C 1.906 177.690 175.800 -0.027 0.000 1.087 661 F CA 0.704 58.690 58.000 -0.022 0.000 1.340 661 F CB -0.104 38.883 39.000 -0.022 0.000 1.031 661 F HN -0.204 nan 8.300 nan 0.000 0.500 662 V N -0.207 119.643 119.914 -0.107 0.000 2.548 662 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 662 V C 2.289 178.282 176.094 -0.168 0.000 1.055 662 V CA 1.844 64.020 62.300 -0.206 0.000 1.065 662 V CB -0.717 31.034 31.823 -0.121 0.000 0.681 662 V HN 0.255 nan 8.190 nan 0.000 0.462 663 E N -1.137 119.010 120.200 -0.088 0.000 2.072 663 E HA -0.245 4.105 4.350 -0.000 0.000 0.191 663 E C 2.294 178.850 176.600 -0.072 0.000 0.985 663 E CA 1.341 57.702 56.400 -0.065 0.000 0.801 663 E CB -0.506 29.180 29.700 -0.024 0.000 0.750 663 E HN 0.720 nan 8.360 nan 0.000 0.452 664 Q N -0.413 119.349 119.800 -0.062 0.000 2.079 664 Q HA -0.020 4.320 4.340 -0.000 0.000 0.200 664 Q C 2.408 178.340 176.000 -0.113 0.000 0.974 664 Q CA 1.351 57.130 55.803 -0.040 0.000 0.840 664 Q CB -0.530 28.247 28.738 0.065 0.000 0.898 664 Q HN 0.622 nan 8.270 nan 0.000 0.430 665 L N -0.279 120.788 121.223 -0.260 0.000 2.027 665 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 665 L C 3.167 179.939 176.870 -0.163 0.000 1.074 665 L CA 1.797 56.473 54.840 -0.273 0.000 0.745 665 L CB -0.851 40.929 42.059 -0.464 0.000 0.898 665 L HN 0.442 nan 8.230 nan 0.000 0.433 666 R N 0.589 120.991 120.500 -0.163 0.000 2.096 666 R HA -0.228 4.112 4.340 -0.000 0.000 0.240 666 R C 2.287 178.547 176.300 -0.068 0.000 1.139 666 R CA 2.200 58.233 56.100 -0.112 0.000 0.952 666 R CB -1.657 28.577 30.300 -0.110 0.000 0.854 666 R HN 0.274 nan 8.270 nan 0.000 0.436 667 K N 0.605 120.969 120.400 -0.060 0.000 2.113 667 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 667 K C 1.679 178.264 176.600 -0.025 0.000 1.047 667 K CA 1.682 57.949 56.287 -0.034 0.000 0.928 667 K CB -0.311 32.175 32.500 -0.024 0.000 0.716 667 K HN 0.974 nan 8.250 nan 0.000 0.446 668 E N -0.611 119.570 120.200 -0.031 0.000 2.542 668 E HA 0.343 4.693 4.350 -0.000 0.000 0.224 668 E C 0.670 177.262 176.600 -0.013 0.000 1.110 668 E CA 0.185 56.576 56.400 -0.016 0.000 1.350 668 E CB 0.218 29.913 29.700 -0.008 0.000 1.302 668 E HN 0.267 nan 8.360 nan 0.000 0.435 669 G N 0.419 109.212 108.800 -0.013 0.000 2.187 669 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.261 669 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.261 669 G C 0.211 175.120 174.900 0.016 0.000 1.000 669 G CA 0.432 45.534 45.100 0.004 0.000 0.718 669 G HN 0.331 nan 8.290 nan 0.000 0.519 670 V N 0.896 120.807 119.914 -0.005 0.000 2.439 670 V HA 0.586 4.706 4.120 -0.000 0.000 0.282 670 V C 0.681 176.790 176.094 0.025 0.000 1.039 670 V CA -0.958 61.351 62.300 0.015 0.000 0.913 670 V CB 1.363 33.164 31.823 -0.036 0.000 0.983 670 V HN 0.396 nan 8.190 nan 0.000 0.460 671 F N 4.550 124.477 119.950 -0.038 0.000 2.607 671 F HA 0.447 4.974 4.527 0.000 0.000 0.374 671 F C 0.428 176.198 175.800 -0.050 0.000 1.104 671 F CA 0.376 58.358 58.000 -0.031 0.000 1.296 671 F CB 0.355 39.349 39.000 -0.010 0.000 1.085 671 F HN 0.619 nan 8.300 nan 0.000 0.584 672 A N 4.295 126.493 122.820 -1.037 0.000 2.522 672 A HA 0.621 4.941 4.320 -0.000 0.000 0.290 672 A C -1.106 176.039 177.584 -0.731 0.000 1.047 672 A CA -0.329 51.258 52.037 -0.751 0.000 0.935 672 A CB -0.015 18.749 19.000 -0.394 0.000 1.451 672 A HN 1.091 nan 8.150 nan 0.000 0.398 673 K N 1.009 120.995 120.400 -0.691 0.000 2.274 673 K HA 0.856 5.176 4.320 -0.000 0.000 0.262 673 K C 0.010 176.537 176.600 -0.122 0.000 0.961 673 K CA 0.193 56.289 56.287 -0.318 0.000 0.833 673 K CB 0.859 33.252 32.500 -0.178 0.000 1.102 673 K HN 1.983 nan 8.250 nan 0.000 0.436 674 E N 0.288 120.444 120.200 -0.074 0.000 2.398 674 E HA 0.503 4.853 4.350 -0.000 0.000 0.263 674 E C 0.296 176.913 176.600 0.028 0.000 1.046 674 E CA 0.103 56.497 56.400 -0.010 0.000 0.908 674 E CB 0.682 30.379 29.700 -0.005 0.000 0.963 674 E HN 1.794 nan 8.360 nan 0.000 0.431 675 V N -0.533 119.419 119.914 0.065 0.000 2.540 675 V HA 0.655 4.775 4.120 -0.000 0.000 0.302 675 V C -0.014 176.146 176.094 0.110 0.000 1.035 675 V CA -1.231 61.125 62.300 0.093 0.000 0.873 675 V CB 1.713 33.608 31.823 0.121 0.000 0.992 675 V HN 0.744 nan 8.190 nan 0.000 0.428 676 R N 3.159 123.724 120.500 0.109 0.000 2.457 676 R HA 0.236 4.576 4.340 -0.000 0.000 0.335 676 R C 0.815 177.221 176.300 0.176 0.000 1.003 676 R CA 0.773 56.946 56.100 0.121 0.000 1.003 676 R CB 0.415 30.780 30.300 0.109 0.000 0.950 676 R HN 1.033 nan 8.270 nan 0.000 0.428 677 T N -1.081 113.592 114.554 0.199 0.000 3.182 677 T HA 0.179 4.529 4.350 -0.000 0.000 0.277 677 T C 1.097 175.961 174.700 0.273 0.000 1.013 677 T CA 0.026 62.327 62.100 0.336 0.000 0.900 677 T CB 0.839 69.928 68.868 0.368 0.000 1.098 677 T HN 0.695 nan 8.240 nan 0.000 0.543 678 G N 1.127 110.026 108.800 0.165 0.000 2.305 678 G HA2 0.109 4.069 3.960 -0.000 0.000 0.287 678 G HA3 0.109 4.069 3.960 -0.000 0.000 0.287 678 G C 1.129 176.051 174.900 0.036 0.000 1.036 678 G CA 0.247 45.407 45.100 0.100 0.000 0.887 678 G HN 1.806 nan 8.290 nan 0.000 0.505 679 G N -2.281 106.533 108.800 0.023 0.000 2.155 679 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.257 679 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.257 679 G C 0.280 175.122 174.900 -0.097 0.000 0.983 679 G CA 1.379 46.465 45.100 -0.022 0.000 0.676 679 G HN 1.385 nan 8.290 nan 0.000 0.528 680 M N 0.650 120.144 119.600 -0.176 0.000 2.423 680 M HA 0.746 5.226 4.480 -0.000 0.000 0.335 680 M C 0.323 176.369 176.300 -0.422 0.000 1.177 680 M CA 0.049 55.063 55.300 -0.477 0.000 1.038 680 M CB 1.862 33.807 32.600 -1.091 0.000 1.641 680 M HN 0.716 nan 8.290 nan 0.000 0.455 681 A N 4.630 127.224 122.820 -0.377 0.000 2.937 681 A HA 0.540 4.860 4.320 -0.000 0.000 0.338 681 A C -0.946 176.570 177.584 -0.112 0.000 1.273 681 A CA -0.552 51.396 52.037 -0.147 0.000 0.937 681 A CB -0.757 18.201 19.000 -0.070 0.000 1.133 681 A HN 0.741 nan 8.150 nan 0.000 0.491 682 F N 0.640 120.654 119.950 0.106 0.000 2.440 682 F HA 0.237 4.764 4.527 0.000 0.000 0.323 682 F C 1.460 177.347 175.800 0.145 0.000 1.192 682 F CA 0.522 58.575 58.000 0.087 0.000 1.252 682 F CB 0.242 39.335 39.000 0.155 0.000 1.214 682 F HN 0.586 nan 8.300 nan 0.000 0.578 683 H N -0.330 118.922 119.070 0.303 0.000 2.604 683 H HA -0.155 4.401 4.556 -0.000 0.000 0.321 683 H C -0.137 175.281 175.328 0.150 0.000 1.132 683 H CA 0.581 56.746 56.048 0.195 0.000 1.129 683 H CB -1.488 28.385 29.762 0.185 0.000 1.526 683 H HN 0.599 nan 8.280 nan 0.000 0.415 684 S N -3.087 112.707 115.700 0.157 0.000 2.688 684 S HA 0.575 5.045 4.470 -0.000 0.000 0.275 684 S C 1.242 175.874 174.600 0.053 0.000 1.175 684 S CA -0.372 57.888 58.200 0.101 0.000 0.818 684 S CB 0.518 63.764 63.200 0.076 0.000 1.157 684 S HN 0.269 nan 8.310 nan 0.000 0.482 685 Y N -1.299 119.020 120.300 0.032 0.000 2.256 685 Y HA 0.096 4.646 4.550 -0.000 0.000 0.288 685 Y C 3.064 178.962 175.900 -0.004 0.000 1.155 685 Y CA 2.265 60.372 58.100 0.012 0.000 1.203 685 Y CB -1.875 36.587 38.460 0.003 0.000 0.980 685 Y HN 1.138 nan 8.280 nan 0.000 0.530 686 F N -0.508 119.434 119.950 -0.013 0.000 2.287 686 F HA -0.148 4.379 4.527 -0.000 0.000 0.301 686 F C 2.148 177.923 175.800 -0.041 0.000 1.069 686 F CA 2.070 60.048 58.000 -0.037 0.000 1.372 686 F CB -0.667 38.298 39.000 -0.058 0.000 1.056 686 F HN 0.388 nan 8.300 nan 0.000 0.523 687 M N -0.858 118.729 119.600 -0.021 0.000 2.502 687 M HA 0.011 4.491 4.480 -0.000 0.000 0.243 687 M C 1.826 178.121 176.300 -0.008 0.000 1.130 687 M CA 0.993 56.285 55.300 -0.013 0.000 1.055 687 M CB -0.843 31.761 32.600 0.006 0.000 1.457 687 M HN 0.522 nan 8.290 nan 0.000 0.488 688 E N 1.022 121.217 120.200 -0.008 0.000 2.153 688 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 688 E C 2.002 178.592 176.600 -0.016 0.000 0.988 688 E CA 1.152 57.548 56.400 -0.007 0.000 0.811 688 E CB -0.191 29.506 29.700 -0.006 0.000 0.746 688 E HN 0.616 nan 8.360 nan 0.000 0.466 689 A N -0.446 122.357 122.820 -0.027 0.000 2.172 689 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 689 A C 2.046 179.607 177.584 -0.038 0.000 1.154 689 A CA 1.210 53.224 52.037 -0.039 0.000 0.701 689 A CB -0.412 18.553 19.000 -0.058 0.000 0.789 689 A HN 0.528 nan 8.150 nan 0.000 0.465 690 I N -1.374 119.181 120.570 -0.025 0.000 3.941 690 I HA 0.062 4.232 4.170 -0.000 0.000 0.321 690 I C 2.475 178.591 176.117 -0.002 0.000 1.284 690 I CA 0.578 61.869 61.300 -0.014 0.000 1.226 690 I CB 0.182 38.184 38.000 0.004 0.000 1.045 690 I HN 0.275 nan 8.210 nan 0.000 0.420 691 A N 2.024 124.842 122.820 -0.003 0.000 1.845 691 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 691 A C -0.069 177.510 177.584 -0.009 0.000 1.195 691 A CA 1.621 53.659 52.037 0.002 0.000 0.616 691 A CB -1.890 17.111 19.000 0.002 0.000 0.832 691 A HN 0.203 nan 8.150 nan 0.000 0.443 692 P HA -0.123 nan 4.420 nan 0.000 0.215 692 P C -1.412 175.864 177.300 -0.039 0.000 1.157 692 P CA 2.041 65.127 63.100 -0.024 0.000 0.874 692 P CB -0.977 30.709 31.700 -0.024 0.000 0.790 693 P HA -0.117 nan 4.420 nan 0.000 0.215 693 P C 1.732 178.975 177.300 -0.096 0.000 1.157 693 P CA 0.849 63.907 63.100 -0.070 0.000 0.863 693 P CB -0.483 31.186 31.700 -0.053 0.000 0.787 694 L N -0.726 120.467 121.223 -0.049 0.000 2.017 694 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 694 L C 2.248 179.090 176.870 -0.047 0.000 1.073 694 L CA 1.669 56.491 54.840 -0.030 0.000 0.745 694 L CB -1.642 40.439 42.059 0.036 0.000 0.894 694 L HN -0.138 nan 8.230 nan 0.000 0.432 695 L N -0.577 120.629 121.223 -0.029 0.000 2.083 695 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 695 L C 2.546 179.386 176.870 -0.051 0.000 1.083 695 L CA 2.079 56.908 54.840 -0.019 0.000 0.752 695 L CB -0.783 41.272 42.059 -0.007 0.000 0.899 695 L HN 0.583 nan 8.230 nan 0.000 0.433 696 Q N -1.120 118.629 119.800 -0.085 0.000 2.079 696 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 696 Q C 1.956 177.849 176.000 -0.178 0.000 0.974 696 Q CA 1.573 57.310 55.803 -0.109 0.000 0.840 696 Q CB -0.006 28.665 28.738 -0.111 0.000 0.898 696 Q HN 0.489 nan 8.270 nan 0.000 0.430 697 E N 0.515 120.534 120.200 -0.301 0.000 2.047 697 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 697 E C 2.122 178.533 176.600 -0.316 0.000 0.987 697 E CA 0.889 56.955 56.400 -0.558 0.000 0.799 697 E CB -0.154 28.869 29.700 -1.129 0.000 0.752 697 E HN 0.448 nan 8.360 nan 0.000 0.449 698 L N 0.828 121.967 121.223 -0.140 0.000 2.291 698 L HA -0.088 4.252 4.340 -0.000 0.000 0.214 698 L C 2.389 179.277 176.870 0.030 0.000 1.120 698 L CA 0.680 55.535 54.840 0.024 0.000 0.799 698 L CB -0.286 41.824 42.059 0.085 0.000 0.925 698 L HN 0.010 nan 8.230 nan 0.000 0.446 699 K N 0.725 121.120 120.400 -0.008 0.000 2.152 699 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 699 K C 1.978 178.588 176.600 0.016 0.000 1.048 699 K CA 1.280 57.572 56.287 0.007 0.000 0.933 699 K CB -0.001 32.493 32.500 -0.009 0.000 0.721 699 K HN 0.382 nan 8.250 nan 0.000 0.447 700 K N 0.258 120.659 120.400 0.001 0.000 2.167 700 K HA -0.017 4.303 4.320 -0.000 0.000 0.203 700 K C 2.117 178.766 176.600 0.081 0.000 1.052 700 K CA 0.503 56.808 56.287 0.031 0.000 0.956 700 K CB 0.147 32.659 32.500 0.020 0.000 0.735 700 K HN -0.103 nan 8.250 nan 0.000 0.451 701 V N 1.792 121.770 119.914 0.107 0.000 2.239 701 V HA -0.118 4.002 4.120 -0.000 0.000 0.242 701 V C 1.377 177.545 176.094 0.122 0.000 1.038 701 V CA 1.205 63.602 62.300 0.163 0.000 1.002 701 V CB -0.152 31.813 31.823 0.237 0.000 0.641 701 V HN 0.200 nan 8.190 nan 0.000 0.449 702 I N 2.070 122.704 120.570 0.107 0.000 2.243 702 I HA 0.206 4.376 4.170 -0.000 0.000 0.289 702 I C 0.265 176.423 176.117 0.069 0.000 1.140 702 I CA -0.030 61.325 61.300 0.091 0.000 1.289 702 I CB -0.266 37.794 38.000 0.098 0.000 1.498 702 I HN 0.249 nan 8.210 nan 0.000 0.561 703 R N 3.798 124.334 120.500 0.062 0.000 2.490 703 R HA 0.272 4.612 4.340 -0.000 0.000 0.278 703 R C 0.180 176.506 176.300 0.042 0.000 1.069 703 R CA -0.713 55.415 56.100 0.047 0.000 1.080 703 R CB 0.330 30.655 30.300 0.043 0.000 1.030 703 R HN 0.616 nan 8.270 nan 0.000 0.491 704 E N -1.448 118.773 120.200 0.035 0.000 2.273 704 E HA -0.146 4.204 4.350 -0.000 0.000 0.177 704 E C -2.275 174.344 176.600 0.032 0.000 1.511 704 E CA -0.224 56.194 56.400 0.029 0.000 0.675 704 E CB -1.681 28.034 29.700 0.025 0.000 1.094 704 E HN 0.384 nan 8.360 nan 0.000 0.348 705 P HA 0.020 nan 4.420 nan 0.000 0.263 705 P C -0.422 176.891 177.300 0.023 0.000 1.195 705 P CA 0.240 63.361 63.100 0.034 0.000 0.762 705 P CB 0.707 32.429 31.700 0.036 0.000 0.799 706 K N 4.946 125.359 120.400 0.022 0.000 2.098 706 K HA 0.402 4.722 4.320 -0.000 0.000 0.261 706 K C -2.161 174.441 176.600 0.003 0.000 0.987 706 K CA -1.918 54.376 56.287 0.012 0.000 0.916 706 K CB 0.394 32.902 32.500 0.014 0.000 1.039 706 K HN 0.373 nan 8.250 nan 0.000 0.455 707 P HA 0.143 nan 4.420 nan 0.000 0.282 707 P C -1.093 176.195 177.300 -0.020 0.000 1.249 707 P CA -0.345 62.740 63.100 -0.025 0.000 0.806 707 P CB 0.787 32.474 31.700 -0.021 0.000 0.984 708 R N 1.100 121.561 120.500 -0.065 0.000 2.491 708 R HA 0.284 4.624 4.340 -0.000 0.000 0.283 708 R C 1.078 177.359 176.300 -0.032 0.000 1.072 708 R CA -0.254 55.831 56.100 -0.024 0.000 1.048 708 R CB 0.175 30.300 30.300 -0.291 0.000 0.983 708 R HN 0.577 nan 8.270 nan 0.000 0.450 709 S N 1.401 117.114 115.700 0.022 0.000 2.624 709 S HA 0.205 4.675 4.470 -0.000 0.000 0.263 709 S C 1.189 175.751 174.600 -0.063 0.000 1.287 709 S CA -0.272 57.910 58.200 -0.030 0.000 0.990 709 S CB 1.546 64.720 63.200 -0.044 0.000 0.950 709 S HN 0.687 nan 8.310 nan 0.000 0.561 710 A N 0.875 123.648 122.820 -0.079 0.000 2.168 710 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 710 A C 2.175 179.683 177.584 -0.126 0.000 1.152 710 A CA 0.702 52.679 52.037 -0.099 0.000 0.716 710 A CB -0.597 18.368 19.000 -0.058 0.000 0.794 710 A HN 0.888 nan 8.150 nan 0.000 0.465 711 R N -2.148 118.273 120.500 -0.132 0.000 2.115 711 R HA -0.087 4.253 4.340 -0.000 0.000 0.226 711 R C 0.446 176.666 176.300 -0.135 0.000 1.100 711 R CA 0.781 56.754 56.100 -0.211 0.000 0.980 711 R CB -0.061 30.078 30.300 -0.267 0.000 0.875 711 R HN 0.635 nan 8.270 nan 0.000 0.445 712 W N 2.363 123.493 121.300 -0.284 0.000 2.357 712 W HA 0.303 4.963 4.660 -0.000 0.000 0.317 712 W C -1.164 175.154 176.519 -0.337 0.000 1.101 712 W CA -1.567 55.627 57.345 -0.251 0.000 1.380 712 W CB 0.001 29.332 29.460 -0.216 0.000 1.266 712 W HN -0.063 nan 8.180 nan 0.000 0.419 713 L N 6.107 127.312 121.223 -0.030 0.000 2.290 713 L HA 0.168 4.508 4.340 -0.000 0.000 0.284 713 L C 1.067 177.755 176.870 -0.303 0.000 1.078 713 L CA -0.417 54.166 54.840 -0.429 0.000 0.815 713 L CB 0.866 42.849 42.059 -0.128 0.000 1.162 713 L HN 0.340 nan 8.230 nan 0.000 0.435 714 S N 0.859 116.192 115.700 -0.611 0.000 2.565 714 S HA 0.185 4.655 4.470 -0.000 0.000 0.276 714 S C 1.040 175.698 174.600 0.098 0.000 1.326 714 S CA -0.227 57.831 58.200 -0.238 0.000 1.045 714 S CB 0.889 63.953 63.200 -0.227 0.000 0.918 714 S HN 0.778 nan 8.310 nan 0.000 0.505 715 T N 0.173 114.814 114.554 0.146 0.000 3.023 715 T HA 0.109 4.459 4.350 -0.000 0.000 0.253 715 T C 1.412 176.151 174.700 0.065 0.000 1.038 715 T CA 0.430 62.617 62.100 0.146 0.000 0.962 715 T CB -0.155 68.824 68.868 0.186 0.000 1.018 715 T HN 0.571 nan 8.240 nan 0.000 0.521 716 S N 0.676 116.383 115.700 0.012 0.000 2.503 716 S HA 0.412 4.882 4.470 -0.000 0.000 0.215 716 S C 0.425 174.974 174.600 -0.084 0.000 1.003 716 S CA -0.539 57.617 58.200 -0.074 0.000 0.910 716 S CB -0.311 62.757 63.200 -0.221 0.000 0.790 716 S HN 0.530 nan 8.310 nan 0.000 0.514 717 I N 2.649 123.210 120.570 -0.014 0.000 2.447 717 I HA 0.435 4.605 4.170 -0.000 0.000 0.287 717 I C -2.881 173.323 176.117 0.145 0.000 1.023 717 I CA -2.780 58.544 61.300 0.040 0.000 1.083 717 I CB 2.399 40.434 38.000 0.058 0.000 1.245 717 I HN -0.078 nan 8.210 nan 0.000 0.434 718 P HA -0.001 nan 4.420 nan 0.000 0.268 718 P C 0.686 177.727 177.300 -0.433 0.000 1.208 718 P CA 0.011 63.026 63.100 -0.143 0.000 0.777 718 P CB 0.761 32.360 31.700 -0.168 0.000 0.875 719 E N 2.334 122.046 120.200 -0.813 0.000 2.114 719 E HA -0.312 4.038 4.350 -0.000 0.000 0.199 719 E C 1.794 177.761 176.600 -1.056 0.000 1.008 719 E CA 1.684 57.032 56.400 -1.753 0.000 0.810 719 E CB -0.378 28.529 29.700 -1.323 0.000 0.739 719 E HN 0.498 nan 8.360 nan 0.000 0.456 720 A N 0.781 123.248 122.820 -0.589 0.000 1.958 720 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 720 A C 1.831 179.088 177.584 -0.546 0.000 1.178 720 A CA 1.728 53.524 52.037 -0.403 0.000 0.642 720 A CB -0.278 18.588 19.000 -0.223 0.000 0.816 720 A HN 0.295 nan 8.150 nan 0.000 0.453 721 Q N -1.790 117.765 119.800 -0.409 0.000 2.220 721 Q HA 0.025 4.365 4.340 -0.000 0.000 0.205 721 Q C 1.017 176.959 176.000 -0.096 0.000 0.865 721 Q CA -0.197 55.456 55.803 -0.250 0.000 0.960 721 Q CB -0.200 28.482 28.738 -0.093 0.000 1.097 721 Q HN 0.875 nan 8.270 nan 0.000 0.493 722 W N 2.127 123.212 121.300 -0.359 0.000 2.379 722 W HA -0.103 4.557 4.660 -0.000 0.000 0.307 722 W C 1.358 177.783 176.519 -0.158 0.000 1.200 722 W CA 0.688 57.902 57.345 -0.218 0.000 1.297 722 W CB -1.101 28.259 29.460 -0.167 0.000 1.140 722 W HN 0.309 nan 8.180 nan 0.000 0.507 723 H N 0.269 119.459 119.070 0.200 0.000 3.513 723 H HA 0.323 4.879 4.556 -0.000 0.000 0.253 723 H C 0.128 175.499 175.328 0.072 0.000 1.514 723 H CA 0.860 56.969 56.048 0.102 0.000 1.565 723 H CB -0.695 29.107 29.762 0.067 0.000 1.776 723 H HN -0.058 nan 8.280 nan 0.000 0.562 724 S N 0.882 116.657 115.700 0.125 0.000 2.661 724 S HA 0.182 4.652 4.470 -0.000 0.000 0.268 724 S C 0.463 175.104 174.600 0.068 0.000 1.162 724 S CA -0.449 57.805 58.200 0.090 0.000 0.817 724 S CB 1.697 64.929 63.200 0.052 0.000 1.141 724 S HN 0.295 nan 8.310 nan 0.000 0.477 725 S N -0.555 115.179 115.700 0.056 0.000 2.406 725 S HA 0.053 4.523 4.470 -0.000 0.000 0.224 725 S C 1.689 176.321 174.600 0.053 0.000 1.030 725 S CA 0.923 59.151 58.200 0.047 0.000 0.958 725 S CB -0.765 62.459 63.200 0.039 0.000 0.811 725 S HN 0.630 nan 8.310 nan 0.000 0.489 726 L N 2.230 123.488 121.223 0.058 0.000 1.989 726 L HA 0.056 4.396 4.340 -0.000 0.000 0.211 726 L C 2.312 179.271 176.870 0.148 0.000 1.071 726 L CA 2.272 57.161 54.840 0.082 0.000 0.749 726 L CB -1.119 40.966 42.059 0.042 0.000 0.890 726 L HN 0.277 nan 8.230 nan 0.000 0.431 727 A N -0.577 122.311 122.820 0.113 0.000 2.121 727 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 727 A C 2.417 179.998 177.584 -0.006 0.000 1.154 727 A CA 1.181 53.286 52.037 0.114 0.000 0.679 727 A CB -0.705 18.346 19.000 0.085 0.000 0.795 727 A HN 0.502 nan 8.150 nan 0.000 0.458 728 R N 0.793 121.297 120.500 0.007 0.000 2.096 728 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 728 R C 0.263 176.519 176.300 -0.074 0.000 1.127 728 R CA 2.004 58.089 56.100 -0.027 0.000 0.968 728 R CB -0.542 29.763 30.300 0.008 0.000 0.861 728 R HN 0.527 nan 8.270 nan 0.000 0.440 729 T N -3.332 111.179 114.554 -0.071 0.000 2.901 729 T HA 0.207 4.557 4.350 -0.000 0.000 0.293 729 T C -0.359 174.225 174.700 -0.195 0.000 1.084 729 T CA -0.729 61.311 62.100 -0.101 0.000 1.008 729 T CB 1.778 70.631 68.868 -0.025 0.000 1.170 729 T HN -0.032 nan 8.240 nan 0.000 0.509 730 S N 1.699 117.288 115.700 -0.184 0.000 4.120 730 S HA 0.358 4.828 4.470 -0.000 0.000 0.196 730 S C 0.413 175.028 174.600 0.025 0.000 1.447 730 S CA -0.775 57.308 58.200 -0.194 0.000 0.939 730 S CB -1.603 61.608 63.200 0.018 0.000 1.496 730 S HN 0.709 nan 8.310 nan 0.000 0.460 731 S N 1.840 117.591 115.700 0.084 0.000 2.634 731 S HA 0.470 4.940 4.470 -0.000 0.000 0.261 731 S C 1.733 176.424 174.600 0.151 0.000 1.271 731 S CA -0.296 57.971 58.200 0.112 0.000 0.985 731 S CB 0.646 63.908 63.200 0.104 0.000 0.968 731 S HN 0.698 nan 8.310 nan 0.000 0.568 732 A N 0.405 123.294 122.820 0.115 0.000 1.978 732 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 732 A C 1.940 179.590 177.584 0.110 0.000 1.170 732 A CA 1.623 53.726 52.037 0.109 0.000 0.636 732 A CB -0.828 18.215 19.000 0.071 0.000 0.810 732 A HN 0.794 nan 8.150 nan 0.000 0.448 733 E N -1.370 118.892 120.200 0.103 0.000 2.047 733 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 733 E C 1.773 178.438 176.600 0.108 0.000 0.987 733 E CA 1.437 57.888 56.400 0.086 0.000 0.799 733 E CB -0.522 29.220 29.700 0.070 0.000 0.752 733 E HN 0.764 nan 8.360 nan 0.000 0.449 734 Y N 1.618 121.934 120.300 0.027 0.000 2.165 734 Y HA -0.278 4.272 4.550 -0.000 0.000 0.286 734 Y C 1.843 177.773 175.900 0.050 0.000 1.155 734 Y CA 1.709 59.820 58.100 0.018 0.000 1.164 734 Y CB -0.031 38.423 38.460 -0.009 0.000 0.978 734 Y HN 0.060 nan 8.280 nan 0.000 0.513 735 N N -0.379 118.509 118.700 0.312 0.000 2.188 735 N HA -0.166 4.574 4.740 -0.000 0.000 0.184 735 N C 1.826 177.411 175.510 0.125 0.000 1.018 735 N CA 1.644 54.842 53.050 0.247 0.000 0.858 735 N CB -0.192 38.436 38.487 0.234 0.000 0.989 735 N HN 0.279 nan 8.380 nan 0.000 0.426 736 V N 1.709 121.676 119.914 0.089 0.000 2.453 736 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 736 V C 2.132 178.238 176.094 0.019 0.000 1.048 736 V CA 1.361 63.693 62.300 0.053 0.000 1.049 736 V CB -0.661 31.187 31.823 0.042 0.000 0.672 736 V HN 0.327 nan 8.190 nan 0.000 0.457 737 N N 1.111 119.800 118.700 -0.019 0.000 2.104 737 N HA -0.241 4.499 4.740 -0.000 0.000 0.190 737 N C 1.835 177.316 175.510 -0.047 0.000 1.024 737 N CA 1.841 54.855 53.050 -0.060 0.000 0.853 737 N CB -0.421 37.980 38.487 -0.144 0.000 1.008 737 N HN 0.478 nan 8.380 nan 0.000 0.424 738 N N 0.168 118.828 118.700 -0.067 0.000 2.061 738 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 738 N C 1.727 177.326 175.510 0.148 0.000 1.030 738 N CA 1.359 54.434 53.050 0.042 0.000 0.856 738 N CB -0.303 38.237 38.487 0.090 0.000 1.023 738 N HN 0.348 nan 8.380 nan 0.000 0.424 739 L N 0.904 122.149 121.223 0.037 0.000 2.093 739 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 739 L C 2.129 178.908 176.870 -0.152 0.000 1.085 739 L CA 1.236 56.013 54.840 -0.105 0.000 0.755 739 L CB -0.341 41.717 42.059 -0.000 0.000 0.904 739 L HN -0.006 nan 8.230 nan 0.000 0.435 740 V N -1.746 118.166 119.914 -0.003 0.000 2.825 740 V HA 0.091 4.211 4.120 -0.000 0.000 0.246 740 V C 1.279 177.438 176.094 0.108 0.000 1.068 740 V CA 0.581 62.901 62.300 0.034 0.000 1.088 740 V CB -0.022 31.818 31.823 0.028 0.000 0.733 740 V HN 0.290 nan 8.190 nan 0.000 0.468 741 S N 1.286 117.075 115.700 0.147 0.000 2.632 741 S HA 0.355 4.825 4.470 -0.000 0.000 0.271 741 S C -2.312 172.454 174.600 0.276 0.000 1.260 741 S CA -0.797 57.502 58.200 0.165 0.000 1.010 741 S CB 1.173 64.420 63.200 0.078 0.000 0.965 741 S HN 0.242 nan 8.310 nan 0.000 0.534 742 P HA 0.087 nan 4.420 nan 0.000 0.271 742 P C -0.929 176.383 177.300 0.020 0.000 1.233 742 P CA -0.282 62.942 63.100 0.207 0.000 0.789 742 P CB 0.322 32.238 31.700 0.360 0.000 0.951 743 V N 3.121 122.973 119.914 -0.103 0.000 2.339 743 V HA 0.104 4.224 4.120 -0.000 0.000 0.261 743 V C 0.878 176.938 176.094 -0.058 0.000 1.058 743 V CA -0.141 62.033 62.300 -0.211 0.000 0.897 743 V CB -0.203 31.302 31.823 -0.529 0.000 1.052 743 V HN 0.339 nan 8.190 nan 0.000 0.480 744 L N 5.262 126.467 121.223 -0.030 0.000 2.480 744 L HA 0.213 4.553 4.340 -0.000 0.000 0.243 744 L C 1.055 177.992 176.870 0.112 0.000 1.315 744 L CA 0.078 54.907 54.840 -0.018 0.000 1.231 744 L CB -0.519 41.510 42.059 -0.050 0.000 1.444 744 L HN 0.576 nan 8.230 nan 0.000 0.409 745 F N 0.819 120.766 119.950 -0.005 0.000 2.123 745 F HA -0.138 4.389 4.527 0.000 0.000 0.289 745 F C 2.544 178.376 175.800 0.053 0.000 1.099 745 F CA 1.333 59.364 58.000 0.052 0.000 1.234 745 F CB 0.089 39.140 39.000 0.085 0.000 1.034 745 F HN 0.379 nan 8.300 nan 0.000 0.479 746 Q N 0.859 120.725 119.800 0.110 0.000 2.133 746 Q HA -0.277 4.063 4.340 -0.000 0.000 0.208 746 Q C 1.838 177.834 176.000 -0.007 0.000 0.991 746 Q CA 2.401 58.178 55.803 -0.043 0.000 0.867 746 Q CB -0.262 28.293 28.738 -0.306 0.000 0.911 746 Q HN 0.512 nan 8.270 nan 0.000 0.417 747 E N 0.126 120.353 120.200 0.045 0.000 2.110 747 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 747 E C 1.789 178.518 176.600 0.215 0.000 0.988 747 E CA 1.290 57.733 56.400 0.072 0.000 0.804 747 E CB -0.352 29.359 29.700 0.018 0.000 0.745 747 E HN 0.471 nan 8.360 nan 0.000 0.458 748 A N 0.626 123.557 122.820 0.184 0.000 1.897 748 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 748 A C 2.142 179.831 177.584 0.175 0.000 1.181 748 A CA 0.874 53.087 52.037 0.294 0.000 0.620 748 A CB -0.586 18.492 19.000 0.130 0.000 0.821 748 A HN 0.187 nan 8.150 nan 0.000 0.443 749 L N -2.304 118.856 121.223 -0.104 0.000 2.127 749 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 749 L C 2.455 179.269 176.870 -0.093 0.000 1.089 749 L CA 1.546 56.270 54.840 -0.193 0.000 0.757 749 L CB -0.560 41.348 42.059 -0.252 0.000 0.899 749 L HN 0.782 nan 8.230 nan 0.000 0.434 750 W N 0.784 121.979 121.300 -0.175 0.000 2.308 750 W HA -0.253 4.407 4.660 0.000 0.000 0.301 750 W C 2.552 178.911 176.519 -0.267 0.000 1.220 750 W CA 1.727 58.932 57.345 -0.233 0.000 1.240 750 W CB -0.196 29.090 29.460 -0.290 0.000 1.142 750 W HN 0.212 nan 8.180 nan 0.000 0.521 751 H N -0.731 118.405 119.070 0.111 0.000 2.529 751 H HA 0.047 4.603 4.556 -0.000 0.000 0.277 751 H C 0.500 175.689 175.328 -0.233 0.000 0.999 751 H CA 0.970 57.022 56.048 0.006 0.000 1.256 751 H CB -0.710 29.258 29.762 0.345 0.000 1.402 751 H HN -0.167 nan 8.280 nan 0.000 0.566 752 V N 5.643 125.313 119.914 -0.407 0.000 2.485 752 V HA 0.000 4.120 4.120 -0.000 0.000 0.287 752 V C -1.434 174.356 176.094 -0.506 0.000 1.022 752 V CA -0.935 60.840 62.300 -0.874 0.000 1.067 752 V CB 0.947 32.126 31.823 -1.074 0.000 0.967 752 V HN 0.188 nan 8.190 nan 0.000 0.479 753 P HA 0.102 nan 4.420 nan 0.000 0.274 753 P C 0.702 177.906 177.300 -0.159 0.000 1.260 753 P CA -0.253 62.763 63.100 -0.140 0.000 0.793 753 P CB 1.106 32.839 31.700 0.054 0.000 1.048 754 E N -0.503 119.644 120.200 -0.089 0.000 2.077 754 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 754 E C 1.008 177.516 176.600 -0.153 0.000 0.989 754 E CA 1.582 57.916 56.400 -0.109 0.000 0.800 754 E CB -0.358 29.332 29.700 -0.017 0.000 0.746 754 E HN 0.427 nan 8.360 nan 0.000 0.452 755 H N -0.592 118.444 119.070 -0.058 0.000 2.472 755 H HA 0.445 5.001 4.556 0.000 0.000 0.287 755 H C -0.497 174.820 175.328 -0.017 0.000 1.112 755 H CA 0.087 56.112 56.048 -0.039 0.000 1.021 755 H CB 0.149 29.896 29.762 -0.024 0.000 1.635 755 H HN 0.136 nan 8.280 nan 0.000 0.559 756 A N 1.137 123.963 122.820 0.010 0.000 2.483 756 A HA 0.270 4.590 4.320 -0.000 0.000 0.238 756 A C 0.380 177.999 177.584 0.058 0.000 1.070 756 A CA -0.119 51.947 52.037 0.048 0.000 0.770 756 A CB 0.493 19.387 19.000 -0.177 0.000 1.008 756 A HN 0.154 nan 8.150 nan 0.000 0.497 757 V N 3.069 123.067 119.914 0.140 0.000 2.370 757 V HA 0.388 4.508 4.120 -0.000 0.000 0.283 757 V C -0.328 175.870 176.094 0.174 0.000 1.023 757 V CA -0.343 62.024 62.300 0.111 0.000 0.857 757 V CB 1.263 33.143 31.823 0.095 0.000 0.985 757 V HN 0.603 nan 8.190 nan 0.000 0.443 758 V N 6.891 126.875 119.914 0.117 0.000 2.409 758 V HA 0.488 4.608 4.120 -0.000 0.000 0.291 758 V C -0.267 175.900 176.094 0.121 0.000 1.020 758 V CA -0.520 61.875 62.300 0.159 0.000 0.848 758 V CB 1.683 33.549 31.823 0.071 0.000 0.990 758 V HN 0.636 nan 8.190 nan 0.000 0.430 759 L N 4.030 125.350 121.223 0.162 0.000 2.287 759 L HA 0.530 4.870 4.340 -0.000 0.000 0.287 759 L C 0.309 177.211 176.870 0.054 0.000 1.022 759 L CA -0.299 54.572 54.840 0.051 0.000 0.814 759 L CB 1.656 43.688 42.059 -0.043 0.000 1.217 759 L HN 0.665 nan 8.230 nan 0.000 0.420 760 E N 4.361 124.582 120.200 0.035 0.000 2.180 760 E HA 0.275 4.625 4.350 -0.000 0.000 0.283 760 E C -0.788 175.826 176.600 0.024 0.000 1.061 760 E CA -0.380 56.048 56.400 0.047 0.000 0.861 760 E CB 0.703 30.422 29.700 0.032 0.000 1.056 760 E HN 0.473 nan 8.360 nan 0.000 0.407 761 I N 4.593 125.177 120.570 0.023 0.000 2.307 761 I HA 0.482 4.652 4.170 -0.000 0.000 0.287 761 I C -0.238 175.902 176.117 0.039 0.000 1.054 761 I CA -0.243 61.061 61.300 0.007 0.000 1.218 761 I CB 0.852 38.823 38.000 -0.048 0.000 1.398 761 I HN 0.499 nan 8.210 nan 0.000 0.475 762 A N 7.796 130.653 122.820 0.061 0.000 2.590 762 A HA 0.562 4.882 4.320 -0.000 0.000 0.296 762 A C -2.451 175.207 177.584 0.123 0.000 1.050 762 A CA -0.850 51.226 52.037 0.065 0.000 0.697 762 A CB 1.227 20.240 19.000 0.023 0.000 1.277 762 A HN 0.368 nan 8.150 nan 0.000 0.411 763 P HA -0.060 nan 4.420 nan 0.000 0.223 763 P C 0.139 177.706 177.300 0.445 0.000 1.151 763 P CA 1.629 64.874 63.100 0.242 0.000 0.787 763 P CB -0.001 31.773 31.700 0.123 0.000 0.788 764 H N -0.580 118.609 119.070 0.197 0.000 2.877 764 H HA 0.590 5.146 4.556 -0.000 0.000 0.347 764 H C -1.048 174.301 175.328 0.035 0.000 1.042 764 H CA -0.914 55.186 56.048 0.087 0.000 1.276 764 H CB 1.147 30.922 29.762 0.022 0.000 1.681 764 H HN -0.144 nan 8.280 nan 0.000 0.521 765 A N 5.449 127.997 122.820 -0.455 0.000 3.026 765 A HA 0.142 4.462 4.320 -0.000 0.000 0.272 765 A C 1.045 178.298 177.584 -0.552 0.000 1.782 765 A CA -0.243 51.592 52.037 -0.337 0.000 1.451 765 A CB -1.016 17.930 19.000 -0.090 0.000 1.081 765 A HN 0.737 nan 8.150 nan 0.000 0.611 766 L N 1.769 122.677 121.223 -0.525 0.000 2.217 766 L HA 0.049 4.389 4.340 -0.000 0.000 0.211 766 L C 1.743 178.480 176.870 -0.222 0.000 1.107 766 L CA 1.621 56.235 54.840 -0.376 0.000 0.783 766 L CB -0.207 41.734 42.059 -0.197 0.000 0.919 766 L HN 0.636 nan 8.230 nan 0.000 0.442 767 L N -0.938 120.161 121.223 -0.206 0.000 2.599 767 L HA 0.002 4.342 4.340 -0.000 0.000 0.230 767 L C 2.187 179.015 176.870 -0.070 0.000 1.141 767 L CA -0.202 54.540 54.840 -0.163 0.000 0.877 767 L CB -0.527 41.417 42.059 -0.191 0.000 1.009 767 L HN 0.286 nan 8.230 nan 0.000 0.447 768 Q N 0.789 120.545 119.800 -0.073 0.000 2.062 768 Q HA -0.264 4.076 4.340 -0.000 0.000 0.209 768 Q C 2.459 178.449 176.000 -0.016 0.000 0.996 768 Q CA 2.225 58.010 55.803 -0.030 0.000 0.859 768 Q CB -0.371 28.350 28.738 -0.029 0.000 0.920 768 Q HN 0.579 nan 8.270 nan 0.000 0.415 769 A N 0.184 122.987 122.820 -0.028 0.000 1.877 769 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 769 A C 2.489 180.064 177.584 -0.014 0.000 1.186 769 A CA 1.642 53.666 52.037 -0.022 0.000 0.620 769 A CB -0.815 18.168 19.000 -0.028 0.000 0.822 769 A HN 0.218 nan 8.150 nan 0.000 0.443 770 V N 0.159 120.063 119.914 -0.017 0.000 2.332 770 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 770 V C 2.586 178.723 176.094 0.071 0.000 1.055 770 V CA 2.081 64.390 62.300 0.014 0.000 1.038 770 V CB -0.717 31.096 31.823 -0.017 0.000 0.651 770 V HN 0.566 nan 8.190 nan 0.000 0.450 771 L N 0.009 121.281 121.223 0.082 0.000 2.056 771 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 771 L C 2.966 179.850 176.870 0.024 0.000 1.078 771 L CA 2.041 56.937 54.840 0.093 0.000 0.749 771 L CB -0.918 41.197 42.059 0.093 0.000 0.901 771 L HN 0.417 nan 8.230 nan 0.000 0.433 772 K N 0.642 121.046 120.400 0.006 0.000 2.063 772 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 772 K C 2.442 179.030 176.600 -0.020 0.000 1.048 772 K CA 2.030 58.308 56.287 -0.014 0.000 0.928 772 K CB -1.509 30.982 32.500 -0.014 0.000 0.713 772 K HN 0.443 nan 8.250 nan 0.000 0.442 773 R N 0.275 120.769 120.500 -0.010 0.000 2.092 773 R HA 0.113 4.453 4.340 -0.000 0.000 0.231 773 R C 2.782 179.075 176.300 -0.010 0.000 1.119 773 R CA 1.782 57.875 56.100 -0.012 0.000 0.970 773 R CB -1.533 28.761 30.300 -0.009 0.000 0.864 773 R HN 0.693 nan 8.270 nan 0.000 0.440 774 G N -0.543 108.259 108.800 0.004 0.000 2.777 774 G HA2 0.333 4.293 3.960 -0.000 0.000 0.211 774 G HA3 0.333 4.293 3.960 -0.000 0.000 0.211 774 G C 0.489 175.358 174.900 -0.052 0.000 1.149 774 G CA -0.024 45.074 45.100 -0.002 0.000 0.785 774 G HN 0.389 nan 8.290 nan 0.000 0.536 775 L N 1.101 122.280 121.223 -0.072 0.000 2.334 775 L HA 0.366 4.706 4.340 -0.000 0.000 0.276 775 L C -0.027 176.764 176.870 -0.132 0.000 1.014 775 L CA -1.224 53.537 54.840 -0.131 0.000 0.815 775 L CB 1.950 43.926 42.059 -0.138 0.000 1.268 775 L HN 0.075 nan 8.230 nan 0.000 0.428 776 K N 1.500 121.797 120.400 -0.172 0.000 2.524 776 K HA 0.043 4.363 4.320 -0.000 0.000 0.279 776 K C -2.066 174.443 176.600 -0.151 0.000 0.993 776 K CA -1.172 55.019 56.287 -0.160 0.000 1.030 776 K CB 0.075 32.461 32.500 -0.190 0.000 0.891 776 K HN 0.250 nan 8.250 nan 0.000 0.488 777 P HA -0.157 nan 4.420 nan 0.000 0.226 777 P C 0.613 177.827 177.300 -0.143 0.000 1.146 777 P CA 1.076 64.110 63.100 -0.111 0.000 0.773 777 P CB 0.073 31.722 31.700 -0.086 0.000 0.772 778 S N -2.898 112.674 115.700 -0.213 0.000 2.561 778 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 778 S C 0.898 175.327 174.600 -0.285 0.000 0.977 778 S CA -0.102 57.901 58.200 -0.328 0.000 0.926 778 S CB -1.278 61.561 63.200 -0.601 0.000 0.769 778 S HN 0.081 nan 8.310 nan 0.000 0.533 779 C N 2.854 122.035 119.300 -0.198 0.000 2.605 779 C HA 0.523 4.983 4.460 -0.000 0.000 0.404 779 C C 0.919 175.858 174.990 -0.085 0.000 1.284 779 C CA -0.449 58.487 59.018 -0.138 0.000 2.199 779 C CB 0.209 27.861 27.740 -0.148 0.000 2.647 779 C HN 0.396 nan 8.230 nan 0.000 0.604 780 T N 4.049 118.575 114.554 -0.047 0.000 2.767 780 T HA 0.526 4.876 4.350 -0.000 0.000 0.284 780 T C -0.317 174.372 174.700 -0.017 0.000 0.973 780 T CA -0.009 62.075 62.100 -0.026 0.000 0.996 780 T CB 0.429 69.291 68.868 -0.010 0.000 0.927 780 T HN 0.409 nan 8.240 nan 0.000 0.456 781 I N 4.040 124.599 120.570 -0.019 0.000 2.362 781 I HA 0.477 4.647 4.170 -0.000 0.000 0.289 781 I C -0.448 175.657 176.117 -0.019 0.000 0.994 781 I CA -0.693 60.602 61.300 -0.008 0.000 1.158 781 I CB 1.339 39.336 38.000 -0.006 0.000 1.315 781 I HN 0.442 nan 8.210 nan 0.000 0.451 782 I N 8.464 129.019 120.570 -0.025 0.000 2.418 782 I HA 0.385 4.555 4.170 -0.000 0.000 0.287 782 I C -2.372 173.711 176.117 -0.057 0.000 1.008 782 I CA -1.919 59.337 61.300 -0.073 0.000 1.104 782 I CB 2.337 40.270 38.000 -0.112 0.000 1.264 782 I HN 0.278 nan 8.210 nan 0.000 0.438 783 P HA 0.316 nan 4.420 nan 0.000 0.284 783 P C -0.104 177.198 177.300 0.003 0.000 1.258 783 P CA -0.401 62.725 63.100 0.044 0.000 0.824 783 P CB 2.178 33.990 31.700 0.187 0.000 1.038 784 L N -0.033 121.289 121.223 0.164 0.000 2.609 784 L HA 0.338 4.678 4.340 -0.000 0.000 0.230 784 L C 1.081 178.255 176.870 0.506 0.000 1.064 784 L CA 0.634 55.596 54.840 0.204 0.000 0.873 784 L CB 0.160 42.339 42.059 0.200 0.000 1.139 784 L HN 0.338 nan 8.230 nan 0.000 0.490 785 M N -0.552 119.335 119.600 0.478 0.000 2.593 785 M HA 0.391 4.871 4.480 -0.000 0.000 0.290 785 M C -1.072 175.222 176.300 -0.011 0.000 1.244 785 M CA -0.428 55.060 55.300 0.314 0.000 0.857 785 M CB 3.435 36.203 32.600 0.280 0.000 1.738 785 M HN -0.222 nan 8.290 nan 0.000 0.461 786 K N 1.072 121.240 120.400 -0.386 0.000 2.443 786 K HA 0.289 4.609 4.320 -0.000 0.000 0.252 786 K C -1.007 175.256 176.600 -0.562 0.000 0.933 786 K CA -0.561 55.451 56.287 -0.458 0.000 0.792 786 K CB 2.414 34.292 32.500 -1.037 0.000 1.185 786 K HN 0.447 nan 8.250 nan 0.000 0.425 787 K N 3.344 123.260 120.400 -0.807 0.000 2.491 787 K HA -0.073 4.247 4.320 -0.000 0.000 0.279 787 K C -0.448 175.346 176.600 -1.344 0.000 1.026 787 K CA 1.274 56.562 56.287 -1.665 0.000 1.070 787 K CB -0.362 31.289 32.500 -1.415 0.000 0.887 787 K HN 0.874 nan 8.250 nan 0.000 0.481 788 D N 0.712 119.977 120.400 -1.891 0.000 3.039 788 D HA -0.206 4.434 4.640 -0.000 0.000 0.222 788 D C 0.160 176.226 176.300 -0.389 0.000 1.179 788 D CA 1.207 54.745 54.000 -0.770 0.000 0.880 788 D CB -1.689 38.868 40.800 -0.405 0.000 1.115 788 D HN 0.876 nan 8.370 nan 0.000 0.416 789 H N 0.024 118.800 119.070 -0.491 0.000 2.897 789 H HA 0.155 4.711 4.556 -0.000 0.000 0.347 789 H C 1.933 177.212 175.328 -0.081 0.000 1.068 789 H CA 1.659 57.552 56.048 -0.258 0.000 1.426 789 H CB 0.818 30.401 29.762 -0.298 0.000 1.410 789 H HN 0.311 nan 8.280 nan 0.000 0.597 790 R N 3.444 123.671 120.500 -0.454 0.000 2.117 790 R HA -0.147 4.193 4.340 -0.000 0.000 0.243 790 R C 0.488 176.760 176.300 -0.047 0.000 1.143 790 R CA 2.010 57.975 56.100 -0.226 0.000 0.968 790 R CB -0.264 29.877 30.300 -0.266 0.000 0.863 790 R HN 0.777 nan 8.270 nan 0.000 0.444 791 D N -1.736 118.704 120.400 0.067 0.000 2.318 791 D HA 0.151 4.791 4.640 -0.000 0.000 0.233 791 D C -0.732 175.864 176.300 0.494 0.000 1.348 791 D CA -0.586 53.563 54.000 0.248 0.000 0.983 791 D CB 0.040 40.942 40.800 0.171 0.000 1.416 791 D HN 0.097 nan 8.370 nan 0.000 0.558 792 N N 2.145 121.066 118.700 0.368 0.000 2.512 792 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 792 N C 1.559 177.229 175.510 0.267 0.000 1.073 792 N CA 0.121 53.352 53.050 0.301 0.000 0.911 792 N CB 0.365 38.993 38.487 0.236 0.000 0.964 792 N HN 0.407 nan 8.380 nan 0.000 0.447 793 L N 1.739 123.085 121.223 0.204 0.000 2.072 793 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 793 L C 2.208 179.240 176.870 0.271 0.000 1.079 793 L CA 1.633 56.587 54.840 0.192 0.000 0.752 793 L CB -0.684 41.461 42.059 0.144 0.000 0.906 793 L HN 0.119 nan 8.230 nan 0.000 0.436 794 E N -1.308 119.055 120.200 0.272 0.000 2.077 794 E HA -0.306 4.044 4.350 -0.000 0.000 0.193 794 E C 2.198 178.947 176.600 0.249 0.000 0.989 794 E CA 1.540 58.097 56.400 0.263 0.000 0.800 794 E CB -0.362 29.509 29.700 0.285 0.000 0.746 794 E HN 0.491 nan 8.360 nan 0.000 0.452 795 F N 0.013 120.016 119.950 0.088 0.000 2.146 795 F HA -0.144 4.383 4.527 0.000 0.000 0.298 795 F C 1.931 177.726 175.800 -0.008 0.000 1.096 795 F CA 1.487 59.441 58.000 -0.078 0.000 1.275 795 F CB -0.302 38.437 39.000 -0.434 0.000 1.008 795 F HN 0.124 nan 8.300 nan 0.000 0.480 796 F N 0.783 120.753 119.950 0.033 0.000 2.102 796 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 796 F C 1.844 177.570 175.800 -0.123 0.000 1.105 796 F CA 1.837 59.799 58.000 -0.063 0.000 1.239 796 F CB -0.573 38.419 39.000 -0.014 0.000 0.991 796 F HN -0.071 nan 8.300 nan 0.000 0.474 797 L N 0.019 121.270 121.223 0.047 0.000 2.083 797 L HA -0.176 4.163 4.340 -0.000 0.000 0.209 797 L C 2.844 179.576 176.870 -0.230 0.000 1.083 797 L CA 1.045 55.855 54.840 -0.051 0.000 0.752 797 L CB -1.253 40.905 42.059 0.165 0.000 0.899 797 L HN 0.271 nan 8.230 nan 0.000 0.433 798 A N 0.471 123.173 122.820 -0.196 0.000 1.940 798 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 798 A C 2.400 179.642 177.584 -0.570 0.000 1.176 798 A CA 1.914 53.780 52.037 -0.285 0.000 0.631 798 A CB -1.237 17.684 19.000 -0.132 0.000 0.814 798 A HN 0.456 nan 8.150 nan 0.000 0.446 799 G N -0.095 108.357 108.800 -0.581 0.000 2.404 799 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.215 799 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.215 799 G C 1.344 175.923 174.900 -0.536 0.000 1.174 799 G CA 1.049 45.809 45.100 -0.567 0.000 0.780 799 G HN 0.347 nan 8.290 nan 0.000 0.537 800 I N 2.191 122.393 120.570 -0.613 0.000 2.264 800 I HA -0.089 4.081 4.170 -0.000 0.000 0.248 800 I C 3.021 178.907 176.117 -0.386 0.000 1.111 800 I CA 1.034 62.053 61.300 -0.467 0.000 1.382 800 I CB -1.581 36.157 38.000 -0.436 0.000 1.060 800 I HN 0.213 nan 8.210 nan 0.000 0.418 801 G N 0.717 109.174 108.800 -0.571 0.000 2.442 801 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 801 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 801 G C 1.895 176.407 174.900 -0.646 0.000 1.141 801 G CA 0.479 45.101 45.100 -0.796 0.000 0.763 801 G HN 0.338 nan 8.290 nan 0.000 0.554 802 R N -0.359 119.768 120.500 -0.621 0.000 2.148 802 R HA 0.184 4.524 4.340 -0.000 0.000 0.227 802 R C 2.518 178.745 176.300 -0.122 0.000 1.103 802 R CA 0.299 56.246 56.100 -0.254 0.000 0.983 802 R CB -0.316 29.859 30.300 -0.207 0.000 0.874 802 R HN 0.320 nan 8.270 nan 0.000 0.451 803 L N -0.458 120.681 121.223 -0.140 0.000 2.046 803 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 803 L C 2.450 179.325 176.870 0.008 0.000 1.077 803 L CA 1.536 56.342 54.840 -0.057 0.000 0.747 803 L CB -0.486 41.535 42.059 -0.063 0.000 0.896 803 L HN 0.271 nan 8.230 nan 0.000 0.432 804 H N 0.347 119.372 119.070 -0.076 0.000 2.267 804 H HA -0.189 4.367 4.556 -0.000 0.000 0.297 804 H C 2.192 177.526 175.328 0.010 0.000 1.080 804 H CA 1.827 57.863 56.048 -0.020 0.000 1.278 804 H CB -0.213 29.549 29.762 0.000 0.000 1.365 804 H HN 0.128 nan 8.280 nan 0.000 0.489 805 L N -0.095 121.155 121.223 0.045 0.000 2.187 805 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 805 L C 2.070 178.918 176.870 -0.036 0.000 1.100 805 L CA 1.595 56.445 54.840 0.016 0.000 0.765 805 L CB -0.534 41.600 42.059 0.125 0.000 0.904 805 L HN 0.430 nan 8.230 nan 0.000 0.437 806 S N -1.258 114.422 115.700 -0.033 0.000 2.597 806 S HA 0.257 4.727 4.470 -0.000 0.000 0.224 806 S C 1.294 175.870 174.600 -0.040 0.000 0.955 806 S CA 0.275 58.460 58.200 -0.025 0.000 0.933 806 S CB 0.659 63.856 63.200 -0.005 0.000 0.788 806 S HN 0.540 nan 8.310 nan 0.000 0.488 807 G N 1.040 109.789 108.800 -0.085 0.000 2.176 807 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.232 807 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.232 807 G C -0.070 174.799 174.900 -0.050 0.000 0.986 807 G CA 0.011 45.057 45.100 -0.090 0.000 0.643 807 G HN 0.505 nan 8.290 nan 0.000 0.522 808 I N 1.252 121.810 120.570 -0.020 0.000 2.396 808 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 808 I C 0.001 176.149 176.117 0.052 0.000 0.999 808 I CA -0.628 60.681 61.300 0.016 0.000 1.310 808 I CB 1.335 39.352 38.000 0.029 0.000 1.404 808 I HN 0.128 nan 8.210 nan 0.000 0.496 809 D N 5.353 125.785 120.400 0.054 0.000 2.365 809 D HA 0.494 5.134 4.640 -0.000 0.000 0.237 809 D C -0.450 175.890 176.300 0.067 0.000 1.190 809 D CA -0.062 53.988 54.000 0.084 0.000 0.867 809 D CB 0.655 41.490 40.800 0.059 0.000 1.050 809 D HN 0.677 nan 8.370 nan 0.000 0.491 810 A N 4.161 127.026 122.820 0.074 0.000 2.522 810 A HA 0.299 4.619 4.320 -0.000 0.000 0.285 810 A C -0.599 176.999 177.584 0.023 0.000 1.198 810 A CA -0.932 51.128 52.037 0.040 0.000 0.742 810 A CB 0.610 19.620 19.000 0.016 0.000 1.176 810 A HN 0.505 nan 8.150 nan 0.000 0.444 811 N N 4.229 122.946 118.700 0.028 0.000 2.406 811 N HA 0.256 4.996 4.740 -0.000 0.000 0.251 811 N C -1.633 173.908 175.510 0.052 0.000 1.069 811 N CA -2.086 50.978 53.050 0.024 0.000 0.947 811 N CB 1.440 39.943 38.487 0.026 0.000 1.111 811 N HN 0.316 nan 8.380 nan 0.000 0.497 812 P HA -0.050 nan 4.420 nan 0.000 0.230 812 P C 0.505 177.949 177.300 0.239 0.000 1.158 812 P CA 0.574 63.767 63.100 0.156 0.000 0.769 812 P CB 0.493 32.317 31.700 0.207 0.000 0.807 813 N N 1.053 119.858 118.700 0.174 0.000 2.137 813 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 813 N C 1.878 177.489 175.510 0.169 0.000 1.017 813 N CA 1.692 54.856 53.050 0.190 0.000 0.859 813 N CB -1.009 37.538 38.487 0.101 0.000 1.002 813 N HN 0.143 nan 8.380 nan 0.000 0.428 814 A N 0.952 123.829 122.820 0.096 0.000 1.978 814 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 814 A C 2.228 179.809 177.584 -0.005 0.000 1.170 814 A CA 0.936 53.002 52.037 0.048 0.000 0.636 814 A CB -0.689 18.332 19.000 0.034 0.000 0.810 814 A HN 0.277 nan 8.150 nan 0.000 0.448 815 L N -2.129 119.045 121.223 -0.082 0.000 2.362 815 L HA 0.011 4.351 4.340 -0.000 0.000 0.219 815 L C 0.186 176.717 176.870 -0.564 0.000 1.134 815 L CA 0.269 54.886 54.840 -0.373 0.000 0.807 815 L CB -0.338 41.348 42.059 -0.621 0.000 0.927 815 L HN 0.314 nan 8.230 nan 0.000 0.447 816 F N -1.145 118.833 119.950 0.047 0.000 2.556 816 F HA 0.452 4.979 4.527 -0.000 0.000 0.327 816 F C -1.913 173.906 175.800 0.032 0.000 1.059 816 F CA -2.808 55.216 58.000 0.040 0.000 0.953 816 F CB 0.335 39.361 39.000 0.044 0.000 1.227 816 F HN -0.366 nan 8.300 nan 0.000 0.478 817 P HA 0.035 nan 4.420 nan 0.000 0.265 817 P C -2.345 175.028 177.300 0.122 0.000 1.187 817 P CA -0.567 62.614 63.100 0.135 0.000 0.766 817 P CB -0.304 31.463 31.700 0.111 0.000 0.820 818 P HA 0.023 nan 4.420 nan 0.000 0.274 818 P C -0.065 177.268 177.300 0.055 0.000 1.256 818 P CA -0.181 62.959 63.100 0.066 0.000 0.795 818 P CB 0.461 32.190 31.700 0.047 0.000 1.038 819 V N -4.073 115.868 119.914 0.045 0.000 3.067 819 V HA 0.372 4.492 4.120 -0.000 0.000 0.388 819 V C 0.686 176.798 176.094 0.029 0.000 1.330 819 V CA -0.146 62.176 62.300 0.037 0.000 1.501 819 V CB -1.563 30.280 31.823 0.035 0.000 1.382 819 V HN 0.657 nan 8.190 nan 0.000 0.532 820 E N 0.000 120.217 120.200 0.029 0.000 2.725 820 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 820 E CA 0.000 56.414 56.400 0.023 0.000 0.976 820 E CB 0.000 29.713 29.700 0.022 0.000 0.812 820 E HN 0.000 nan 8.360 nan 0.000 0.440