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 1zy7_1_A DATA FIRST_RESID 306 DATA SEQUENCE SRQPIPSEGL QLHLPQVLAD AVSRLVLGKF GDLTDNFSSP HARRKVLAGV DATA SEQUENCE VMTTGTDVKD AKVISVSTGT KCINGEYMSD RGLALNDCHA EIISRRSLLR DATA SEQUENCE FLYTQLELYL NNKDDQKRSI FQKSERGGFR LKENVQFHLY ISTSPCGDAR DATA SEQUENCE IFXXXXXXXX XXXXXXXXXK ARGQLRTKIE SGEGTIPVRS NASIQTWDGV DATA SEQUENCE LQGERLLTMS CSDKIARWNV VGIQGSLLSI FVEPIYFSSI ILGSLYHGDH DATA SEQUENCE LSRAMYQRIS NIEDLPPLYT LNKPLLSGIS NAEARQPGKA PNFSVNWTVG DATA SEQUENCE DSAIEVINAT TGKDELGRAS RLCKHALYCR WMRVHGKVPS HLLRSKITKP DATA SEQUENCE NVYHESKLAA KEYQAAKARL FTAFIKAGLG AWVEKPTEQD QFSLT 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 306 S HA 0.000 nan 4.470 nan 0.000 0.327 306 S C 0.000 174.456 174.600 -0.240 0.000 1.055 306 S CA 0.000 57.965 58.200 -0.391 0.000 1.107 306 S CB 0.000 62.739 63.200 -0.769 0.000 0.593 307 R N 1.494 121.987 120.500 -0.013 0.000 2.334 307 R HA 0.485 4.824 4.340 -0.001 0.000 0.216 307 R C 0.331 176.791 176.300 0.266 0.000 0.905 307 R CA -0.110 56.111 56.100 0.200 0.000 1.064 307 R CB -0.358 30.016 30.300 0.125 0.000 1.046 307 R HN 0.302 nan 8.270 nan 0.000 0.508 308 Q N 1.918 121.828 119.800 0.182 0.000 2.299 308 Q HA 0.301 4.641 4.340 -0.001 0.000 0.246 308 Q C -2.198 173.922 176.000 0.200 0.000 0.935 308 Q CA -2.439 53.440 55.803 0.126 0.000 0.887 308 Q CB 0.309 29.089 28.738 0.071 0.000 1.223 308 Q HN 0.032 nan 8.270 nan 0.000 0.439 309 P HA 0.102 nan 4.420 nan 0.000 0.269 309 P C -0.475 176.920 177.300 0.159 0.000 1.209 309 P CA -0.103 63.048 63.100 0.086 0.000 0.776 309 P CB 0.502 32.205 31.700 0.004 0.000 0.876 310 I N 3.809 124.509 120.570 0.218 0.000 2.304 310 I HA 0.267 4.436 4.170 -0.001 0.000 0.291 310 I C -2.148 174.065 176.117 0.160 0.000 1.018 310 I CA -3.291 58.121 61.300 0.188 0.000 1.260 310 I CB 0.367 38.503 38.000 0.228 0.000 1.390 310 I HN 0.117 nan 8.210 nan 0.000 0.475 311 P HA 0.006 nan 4.420 nan 0.000 0.267 311 P C 0.214 177.573 177.300 0.097 0.000 1.200 311 P CA 0.061 63.218 63.100 0.095 0.000 0.772 311 P CB 0.556 32.297 31.700 0.068 0.000 0.855 312 S N 1.135 116.883 115.700 0.080 0.000 2.568 312 S HA -0.019 4.451 4.470 -0.001 0.000 0.282 312 S C 1.058 175.658 174.600 0.000 0.000 1.338 312 S CA -0.107 58.118 58.200 0.043 0.000 1.045 312 S CB -0.095 63.138 63.200 0.055 0.000 0.873 312 S HN 0.371 nan 8.310 nan 0.000 0.516 313 E N 2.301 122.459 120.200 -0.069 0.000 2.481 313 E HA 0.098 4.448 4.350 -0.001 0.000 0.195 313 E C 1.083 177.648 176.600 -0.058 0.000 1.047 313 E CA 0.229 56.588 56.400 -0.068 0.000 0.867 313 E CB 0.162 29.793 29.700 -0.115 0.000 0.858 313 E HN 0.741 nan 8.360 nan 0.000 0.513 314 G N 0.500 109.270 108.800 -0.051 0.000 3.134 314 G HA2 0.408 4.367 3.960 -0.001 0.000 0.158 314 G HA3 0.408 4.367 3.960 -0.001 0.000 0.158 314 G C -0.132 174.767 174.900 -0.002 0.000 1.334 314 G CA -0.703 44.377 45.100 -0.034 0.000 1.001 314 G HN -0.040 nan 8.290 nan 0.000 0.600 315 L N 0.254 121.484 121.223 0.011 0.000 2.467 315 L HA 0.368 4.707 4.340 -0.001 0.000 0.270 315 L C 0.175 177.075 176.870 0.051 0.000 1.205 315 L CA 0.289 55.144 54.840 0.025 0.000 0.828 315 L CB 0.791 42.867 42.059 0.029 0.000 1.101 315 L HN 0.442 nan 8.230 nan 0.000 0.479 316 Q N 2.360 122.187 119.800 0.045 0.000 2.567 316 Q HA 0.276 4.616 4.340 -0.001 0.000 0.233 316 Q C -0.531 175.483 176.000 0.023 0.000 0.833 316 Q CA -0.226 55.619 55.803 0.070 0.000 0.844 316 Q CB 1.272 30.049 28.738 0.065 0.000 1.423 316 Q HN 0.663 nan 8.270 nan 0.000 0.442 317 L N 2.154 123.373 121.223 -0.007 0.000 2.693 317 L HA 0.320 4.659 4.340 -0.001 0.000 0.235 317 L C -0.318 176.305 176.870 -0.413 0.000 1.127 317 L CA 0.191 54.904 54.840 -0.212 0.000 0.914 317 L CB 0.308 42.187 42.059 -0.301 0.000 1.193 317 L HN 0.558 nan 8.230 nan 0.000 0.502 318 H N -0.832 118.251 119.070 0.022 0.000 2.690 318 H HA 0.405 4.960 4.556 -0.001 0.000 0.368 318 H C -0.457 174.869 175.328 -0.004 0.000 1.150 318 H CA -0.833 55.214 56.048 -0.002 0.000 1.174 318 H CB 1.627 31.371 29.762 -0.030 0.000 1.684 318 H HN -0.133 nan 8.280 nan 0.000 0.538 319 L N 4.097 125.382 121.223 0.102 0.000 2.584 319 L HA -0.016 4.323 4.340 -0.001 0.000 0.272 319 L C -1.333 175.564 176.870 0.046 0.000 1.195 319 L CA -1.161 53.711 54.840 0.054 0.000 0.920 319 L CB 0.301 42.380 42.059 0.033 0.000 1.173 319 L HN 0.560 nan 8.230 nan 0.000 0.489 320 P HA -0.234 nan 4.420 nan 0.000 0.214 320 P C 1.333 178.624 177.300 -0.015 0.000 1.163 320 P CA 1.010 64.121 63.100 0.019 0.000 0.889 320 P CB 0.250 31.963 31.700 0.022 0.000 0.790 321 Q N -0.394 119.394 119.800 -0.020 0.000 2.119 321 Q HA -0.084 4.255 4.340 -0.001 0.000 0.201 321 Q C 1.964 177.940 176.000 -0.041 0.000 0.972 321 Q CA 1.251 57.032 55.803 -0.038 0.000 0.847 321 Q CB -1.210 27.509 28.738 -0.032 0.000 0.903 321 Q HN -0.026 nan 8.270 nan 0.000 0.433 322 V N 0.492 120.389 119.914 -0.028 0.000 2.255 322 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 322 V C 2.206 178.261 176.094 -0.066 0.000 1.051 322 V CA 1.719 63.999 62.300 -0.033 0.000 1.018 322 V CB -0.792 31.026 31.823 -0.009 0.000 0.641 322 V HN 0.393 nan 8.190 nan 0.000 0.445 323 L N 0.811 121.987 121.223 -0.079 0.000 2.017 323 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 323 L C 2.455 179.228 176.870 -0.160 0.000 1.073 323 L CA 2.384 57.120 54.840 -0.175 0.000 0.745 323 L CB -1.018 40.918 42.059 -0.204 0.000 0.894 323 L HN 0.225 nan 8.230 nan 0.000 0.432 324 A N -0.666 122.093 122.820 -0.101 0.000 1.883 324 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 324 A C 2.008 179.539 177.584 -0.089 0.000 1.186 324 A CA 2.017 54.009 52.037 -0.075 0.000 0.624 324 A CB -0.935 18.025 19.000 -0.066 0.000 0.822 324 A HN 0.548 nan 8.150 nan 0.000 0.444 325 D N -0.024 120.324 120.400 -0.086 0.000 2.144 325 D HA -0.017 4.622 4.640 -0.001 0.000 0.200 325 D C 2.225 178.458 176.300 -0.112 0.000 0.978 325 D CA 1.467 55.414 54.000 -0.089 0.000 0.833 325 D CB -0.485 40.277 40.800 -0.063 0.000 0.961 325 D HN 0.430 nan 8.370 nan 0.000 0.470 326 A N 0.890 123.643 122.820 -0.112 0.000 1.877 326 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 326 A C 2.451 179.950 177.584 -0.142 0.000 1.186 326 A CA 1.973 53.941 52.037 -0.115 0.000 0.620 326 A CB -0.959 17.971 19.000 -0.118 0.000 0.822 326 A HN 0.218 nan 8.150 nan 0.000 0.443 327 V N 0.409 120.223 119.914 -0.166 0.000 2.427 327 V HA -0.189 3.930 4.120 -0.001 0.000 0.248 327 V C 2.475 178.398 176.094 -0.285 0.000 1.051 327 V CA 2.977 65.181 62.300 -0.159 0.000 1.048 327 V CB -1.003 30.767 31.823 -0.088 0.000 0.666 327 V HN 0.734 nan 8.190 nan 0.000 0.456 328 S N 1.053 116.499 115.700 -0.424 0.000 2.368 328 S HA -0.278 4.192 4.470 -0.001 0.000 0.225 328 S C 2.237 176.563 174.600 -0.456 0.000 1.030 328 S CA 1.613 59.312 58.200 -0.836 0.000 0.999 328 S CB -0.863 61.941 63.200 -0.660 0.000 0.844 328 S HN 0.777 nan 8.310 nan 0.000 0.459 329 R N 1.181 121.538 120.500 -0.238 0.000 2.081 329 R HA 0.011 4.350 4.340 -0.001 0.000 0.235 329 R C 2.356 178.607 176.300 -0.082 0.000 1.131 329 R CA 1.515 57.541 56.100 -0.122 0.000 0.960 329 R CB -0.532 29.719 30.300 -0.081 0.000 0.856 329 R HN 0.482 nan 8.270 nan 0.000 0.436 330 L N 0.313 121.481 121.223 -0.092 0.000 2.046 330 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 330 L C 2.504 179.365 176.870 -0.014 0.000 1.077 330 L CA 0.944 55.760 54.840 -0.040 0.000 0.747 330 L CB -0.297 41.742 42.059 -0.032 0.000 0.896 330 L HN 0.084 nan 8.230 nan 0.000 0.432 331 V N -0.229 119.652 119.914 -0.054 0.000 2.307 331 V HA -0.288 3.832 4.120 -0.001 0.000 0.245 331 V C 2.369 178.519 176.094 0.092 0.000 1.045 331 V CA 1.613 63.929 62.300 0.027 0.000 1.024 331 V CB -0.397 31.445 31.823 0.031 0.000 0.651 331 V HN 0.306 nan 8.190 nan 0.000 0.449 332 L N 1.268 122.525 121.223 0.058 0.000 2.042 332 L HA -0.079 4.260 4.340 -0.001 0.000 0.210 332 L C 2.339 179.403 176.870 0.324 0.000 1.076 332 L CA 2.472 57.453 54.840 0.235 0.000 0.749 332 L CB -1.230 40.916 42.059 0.145 0.000 0.893 332 L HN 0.290 nan 8.230 nan 0.000 0.432 333 G N -1.015 107.882 108.800 0.163 0.000 2.418 333 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.217 333 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.217 333 G C 1.673 176.565 174.900 -0.014 0.000 1.158 333 G CA 0.956 46.119 45.100 0.106 0.000 0.771 333 G HN 0.349 nan 8.290 nan 0.000 0.545 334 K N 0.210 120.596 120.400 -0.024 0.000 2.057 334 K HA -0.023 4.296 4.320 -0.001 0.000 0.206 334 K C 2.033 178.512 176.600 -0.201 0.000 1.050 334 K CA 0.827 57.021 56.287 -0.155 0.000 0.935 334 K CB -0.751 31.665 32.500 -0.140 0.000 0.715 334 K HN 0.200 nan 8.250 nan 0.000 0.439 335 F N 0.632 120.469 119.950 -0.188 0.000 2.126 335 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 335 F C 1.868 177.398 175.800 -0.450 0.000 1.096 335 F CA 1.993 59.883 58.000 -0.184 0.000 1.255 335 F CB -0.842 38.179 39.000 0.036 0.000 0.997 335 F HN 0.127 nan 8.300 nan 0.000 0.479 336 G N -0.328 108.015 108.800 -0.762 0.000 2.404 336 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.215 336 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.215 336 G C 1.382 175.726 174.900 -0.925 0.000 1.174 336 G CA 0.964 44.976 45.100 -1.814 0.000 0.780 336 G HN 0.315 nan 8.290 nan 0.000 0.537 337 D N 0.609 120.683 120.400 -0.543 0.000 2.123 337 D HA -0.082 4.558 4.640 -0.001 0.000 0.196 337 D C 2.503 178.559 176.300 -0.406 0.000 0.992 337 D CA 0.592 54.361 54.000 -0.385 0.000 0.833 337 D CB -0.283 40.343 40.800 -0.290 0.000 0.954 337 D HN 0.309 nan 8.370 nan 0.000 0.455 338 L N 0.120 121.049 121.223 -0.489 0.000 2.395 338 L HA -0.016 4.323 4.340 -0.001 0.000 0.218 338 L C 1.555 178.192 176.870 -0.389 0.000 1.130 338 L CA 1.093 55.670 54.840 -0.438 0.000 0.826 338 L CB -0.210 41.560 42.059 -0.481 0.000 0.941 338 L HN 0.082 nan 8.230 nan 0.000 0.451 339 T N -5.349 108.882 114.554 -0.538 0.000 3.248 339 T HA 0.155 4.504 4.350 -0.001 0.000 0.271 339 T C 0.243 174.732 174.700 -0.352 0.000 1.005 339 T CA -0.447 61.377 62.100 -0.460 0.000 0.902 339 T CB -0.023 68.433 68.868 -0.687 0.000 1.102 339 T HN 0.113 nan 8.240 nan 0.000 0.548 340 D N 2.635 122.853 120.400 -0.303 0.000 2.746 340 D HA -0.218 4.421 4.640 -0.001 0.000 0.241 340 D C -0.100 176.080 176.300 -0.199 0.000 1.140 340 D CA 0.924 54.801 54.000 -0.206 0.000 0.707 340 D CB -2.355 38.365 40.800 -0.134 0.000 1.034 340 D HN 0.846 nan 8.370 nan 0.000 0.423 341 N N -0.185 118.336 118.700 -0.299 0.000 2.740 341 N HA -0.287 4.453 4.740 -0.001 0.000 0.248 341 N C -0.038 175.468 175.510 -0.006 0.000 1.062 341 N CA 0.492 53.424 53.050 -0.197 0.000 0.704 341 N CB -1.483 36.998 38.487 -0.011 0.000 0.968 341 N HN 0.438 nan 8.380 nan 0.000 0.547 342 F N -3.207 116.653 119.950 -0.150 0.000 3.034 342 F HA -0.300 4.226 4.527 -0.001 0.000 0.286 342 F C 1.622 177.371 175.800 -0.085 0.000 0.804 342 F CA 0.833 58.753 58.000 -0.133 0.000 1.161 342 F CB -2.395 36.576 39.000 -0.047 0.000 1.317 342 F HN 0.430 nan 8.300 nan 0.000 0.453 343 S N -2.602 113.098 115.700 -0.002 0.000 2.502 343 S HA 0.211 4.680 4.470 -0.001 0.000 0.215 343 S C 0.880 175.450 174.600 -0.050 0.000 1.009 343 S CA 0.312 58.509 58.200 -0.005 0.000 0.908 343 S CB 0.334 63.523 63.200 -0.017 0.000 0.801 343 S HN 0.389 nan 8.310 nan 0.000 0.505 344 S N 3.220 118.863 115.700 -0.096 0.000 2.573 344 S HA 0.225 4.694 4.470 -0.001 0.000 0.277 344 S C -1.101 173.407 174.600 -0.154 0.000 1.346 344 S CA -1.063 57.052 58.200 -0.142 0.000 1.034 344 S CB 0.707 63.824 63.200 -0.137 0.000 0.879 344 S HN 0.243 nan 8.310 nan 0.000 0.528 345 P HA -0.128 nan 4.420 nan 0.000 0.219 345 P C 0.584 177.772 177.300 -0.186 0.000 1.146 345 P CA 1.343 64.278 63.100 -0.276 0.000 0.808 345 P CB -0.194 31.229 31.700 -0.462 0.000 0.779 346 H N -0.643 118.393 119.070 -0.057 0.000 2.547 346 H HA 0.286 4.842 4.556 -0.001 0.000 0.266 346 H C 1.886 177.372 175.328 0.264 0.000 0.988 346 H CA 0.641 56.687 56.048 -0.003 0.000 1.147 346 H CB -0.505 29.197 29.762 -0.100 0.000 1.365 346 H HN 0.151 nan 8.280 nan 0.000 0.589 347 A N 1.188 124.136 122.820 0.215 0.000 2.066 347 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 347 A C 1.664 179.520 177.584 0.455 0.000 1.157 347 A CA -0.082 52.093 52.037 0.230 0.000 0.670 347 A CB -0.332 18.721 19.000 0.088 0.000 0.804 347 A HN 0.209 nan 8.150 nan 0.000 0.453 348 R N 0.591 121.328 120.500 0.394 0.000 2.458 348 R HA 0.212 4.551 4.340 -0.001 0.000 0.303 348 R C -0.582 175.889 176.300 0.284 0.000 1.013 348 R CA 0.141 56.435 56.100 0.323 0.000 1.026 348 R CB 0.127 30.614 30.300 0.313 0.000 0.948 348 R HN 0.577 nan 8.270 nan 0.000 0.417 349 R N 2.253 122.857 120.500 0.173 0.000 2.643 349 R HA 0.271 4.610 4.340 -0.001 0.000 0.269 349 R C -0.683 175.609 176.300 -0.013 0.000 1.037 349 R CA -1.043 55.086 56.100 0.049 0.000 0.894 349 R CB 0.885 31.222 30.300 0.063 0.000 1.238 349 R HN 0.409 nan 8.270 nan 0.000 0.459 350 K N 0.894 121.247 120.400 -0.079 0.000 2.121 350 K HA 0.324 4.644 4.320 -0.001 0.000 0.203 350 K C -0.403 176.147 176.600 -0.083 0.000 1.041 350 K CA 0.866 57.107 56.287 -0.077 0.000 0.969 350 K CB 0.627 33.063 32.500 -0.107 0.000 0.799 350 K HN 0.361 nan 8.250 nan 0.000 0.456 351 V N 2.344 122.191 119.914 -0.112 0.000 2.487 351 V HA 0.389 4.508 4.120 -0.001 0.000 0.298 351 V C -1.175 174.838 176.094 -0.135 0.000 1.028 351 V CA -1.025 61.205 62.300 -0.117 0.000 0.860 351 V CB 1.488 33.234 31.823 -0.129 0.000 0.991 351 V HN 0.169 nan 8.190 nan 0.000 0.427 352 L N 4.746 125.885 121.223 -0.141 0.000 2.329 352 L HA 0.980 5.319 4.340 -0.001 0.000 0.279 352 L C -0.021 176.794 176.870 -0.092 0.000 1.014 352 L CA 0.048 54.780 54.840 -0.179 0.000 0.814 352 L CB 1.401 43.348 42.059 -0.186 0.000 1.257 352 L HN 0.819 nan 8.230 nan 0.000 0.424 353 A N 2.666 125.467 122.820 -0.032 0.000 2.527 353 A HA 1.016 5.336 4.320 -0.001 0.000 0.293 353 A C -0.527 177.153 177.584 0.159 0.000 1.117 353 A CA -0.022 52.034 52.037 0.031 0.000 0.723 353 A CB 1.632 20.646 19.000 0.024 0.000 1.313 353 A HN 1.139 nan 8.150 nan 0.000 0.411 354 G N -1.425 107.506 108.800 0.219 0.000 2.559 354 G HA2 0.592 4.551 3.960 -0.001 0.000 0.291 354 G HA3 0.592 4.551 3.960 -0.001 0.000 0.291 354 G C -2.015 173.012 174.900 0.211 0.000 1.424 354 G CA -0.294 44.944 45.100 0.230 0.000 0.786 354 G HN 1.230 nan 8.290 nan 0.000 0.485 355 V N -0.111 119.931 119.914 0.215 0.000 2.588 355 V HA 0.689 4.808 4.120 -0.001 0.000 0.304 355 V C -0.411 175.823 176.094 0.234 0.000 1.042 355 V CA -0.667 61.777 62.300 0.240 0.000 0.877 355 V CB 1.650 33.639 31.823 0.276 0.000 0.996 355 V HN 0.648 nan 8.190 nan 0.000 0.425 356 V N 5.412 125.487 119.914 0.268 0.000 2.604 356 V HA 0.536 4.655 4.120 -0.001 0.000 0.305 356 V C -0.175 176.083 176.094 0.274 0.000 1.043 356 V CA -0.518 61.913 62.300 0.218 0.000 0.888 356 V CB 1.895 33.809 31.823 0.152 0.000 0.995 356 V HN 0.900 nan 8.190 nan 0.000 0.429 357 M N 4.457 124.135 119.600 0.130 0.000 2.336 357 M HA 0.627 5.106 4.480 -0.001 0.000 0.342 357 M C -0.164 176.132 176.300 -0.007 0.000 1.128 357 M CA -0.157 55.111 55.300 -0.054 0.000 1.016 357 M CB 1.798 34.294 32.600 -0.174 0.000 1.665 357 M HN 0.893 nan 8.290 nan 0.000 0.445 358 T N 0.414 114.967 114.554 -0.002 0.000 2.932 358 T HA 0.813 5.163 4.350 -0.001 0.000 0.289 358 T C -0.466 174.241 174.700 0.012 0.000 1.039 358 T CA -0.718 61.414 62.100 0.055 0.000 1.024 358 T CB 1.689 70.638 68.868 0.136 0.000 1.090 358 T HN 0.725 nan 8.240 nan 0.000 0.496 359 T N -1.249 113.334 114.554 0.049 0.000 2.879 359 T HA 0.710 5.060 4.350 -0.001 0.000 0.290 359 T C 0.796 175.534 174.700 0.063 0.000 0.993 359 T CA -0.039 62.075 62.100 0.024 0.000 0.975 359 T CB 0.896 69.766 68.868 0.002 0.000 0.981 359 T HN 1.890 nan 8.240 nan 0.000 0.439 360 G N 3.119 111.944 108.800 0.042 0.000 2.564 360 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.273 360 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.273 360 G C 0.820 175.722 174.900 0.004 0.000 1.242 360 G CA 0.989 46.099 45.100 0.018 0.000 0.951 360 G HN 1.894 nan 8.290 nan 0.000 0.564 361 T N -2.546 111.988 114.554 -0.035 0.000 3.022 361 T HA 0.316 4.666 4.350 -0.001 0.000 0.250 361 T C 0.612 175.332 174.700 0.032 0.000 1.060 361 T CA 1.131 63.150 62.100 -0.134 0.000 1.013 361 T CB 0.411 69.206 68.868 -0.122 0.000 0.982 361 T HN 0.618 nan 8.240 nan 0.000 0.508 362 D N 1.791 122.243 120.400 0.086 0.000 2.336 362 D HA 0.174 4.814 4.640 -0.001 0.000 0.249 362 D C 1.162 177.539 176.300 0.127 0.000 1.213 362 D CA -0.333 53.721 54.000 0.091 0.000 0.870 362 D CB 1.493 42.323 40.800 0.050 0.000 1.076 362 D HN -0.065 nan 8.370 nan 0.000 0.483 363 V N 4.682 124.672 119.914 0.126 0.000 2.720 363 V HA -0.197 3.922 4.120 -0.001 0.000 0.256 363 V C 2.148 178.240 176.094 -0.002 0.000 1.082 363 V CA 1.556 63.874 62.300 0.030 0.000 1.101 363 V CB -0.222 31.599 31.823 -0.004 0.000 0.693 363 V HN 0.447 nan 8.190 nan 0.000 0.479 364 K N 0.286 120.696 120.400 0.017 0.000 2.152 364 K HA -0.186 4.133 4.320 -0.001 0.000 0.206 364 K C 1.461 178.069 176.600 0.013 0.000 1.048 364 K CA 1.829 58.122 56.287 0.010 0.000 0.933 364 K CB -0.293 32.216 32.500 0.015 0.000 0.721 364 K HN 0.490 nan 8.250 nan 0.000 0.447 365 D N -0.110 120.304 120.400 0.023 0.000 2.349 365 D HA 0.096 4.735 4.640 -0.001 0.000 0.224 365 D C -0.341 175.971 176.300 0.019 0.000 1.029 365 D CA 0.304 54.319 54.000 0.026 0.000 0.879 365 D CB 0.051 40.873 40.800 0.036 0.000 0.906 365 D HN 0.255 nan 8.370 nan 0.000 0.528 366 A N 0.970 123.792 122.820 0.003 0.000 2.531 366 A HA 0.130 4.449 4.320 -0.001 0.000 0.236 366 A C 0.475 178.067 177.584 0.013 0.000 1.062 366 A CA 0.325 52.358 52.037 -0.006 0.000 0.760 366 A CB 0.168 19.140 19.000 -0.045 0.000 0.995 366 A HN 0.107 nan 8.150 nan 0.000 0.501 367 K N 2.477 122.890 120.400 0.020 0.000 2.471 367 K HA 0.520 4.840 4.320 -0.001 0.000 0.252 367 K C -1.328 175.298 176.600 0.043 0.000 0.938 367 K CA -0.662 55.644 56.287 0.031 0.000 0.796 367 K CB 1.667 34.177 32.500 0.016 0.000 1.161 367 K HN 0.433 nan 8.250 nan 0.000 0.425 368 V N 6.485 126.455 119.914 0.093 0.000 2.479 368 V HA 0.021 4.140 4.120 -0.001 0.000 0.281 368 V C 1.245 177.422 176.094 0.139 0.000 1.031 368 V CA -0.218 62.176 62.300 0.156 0.000 1.038 368 V CB 0.706 32.661 31.823 0.219 0.000 0.981 368 V HN 0.813 nan 8.190 nan 0.000 0.478 369 I N 3.166 123.759 120.570 0.038 0.000 2.810 369 I HA 0.101 4.270 4.170 -0.001 0.000 0.262 369 I C 1.053 177.115 176.117 -0.092 0.000 1.131 369 I CA 1.013 62.193 61.300 -0.200 0.000 1.453 369 I CB 0.014 37.829 38.000 -0.310 0.000 1.161 369 I HN 0.786 nan 8.210 nan 0.000 0.444 370 S N -0.046 115.734 115.700 0.133 0.000 2.579 370 S HA 0.762 5.231 4.470 -0.001 0.000 0.272 370 S C -0.926 173.894 174.600 0.367 0.000 1.141 370 S CA -0.604 57.733 58.200 0.228 0.000 0.843 370 S CB 2.742 66.016 63.200 0.123 0.000 1.122 370 S HN -0.154 nan 8.310 nan 0.000 0.468 371 V N 1.800 121.985 119.914 0.452 0.000 2.841 371 V HA 0.926 5.046 4.120 -0.001 0.000 0.310 371 V C -0.540 175.731 176.094 0.295 0.000 1.090 371 V CA -0.150 62.359 62.300 0.350 0.000 0.930 371 V CB 1.941 33.984 31.823 0.367 0.000 1.014 371 V HN 1.395 nan 8.190 nan 0.000 0.425 372 S N 1.793 117.599 115.700 0.177 0.000 2.588 372 S HA 0.922 5.391 4.470 -0.001 0.000 0.269 372 S C -0.664 173.954 174.600 0.029 0.000 1.157 372 S CA -0.240 58.050 58.200 0.150 0.000 0.824 372 S CB 2.372 65.667 63.200 0.157 0.000 1.126 372 S HN 1.176 nan 8.310 nan 0.000 0.464 373 T N -2.218 112.373 114.554 0.062 0.000 2.838 373 T HA 0.969 5.318 4.350 -0.001 0.000 0.292 373 T C 0.211 174.920 174.700 0.015 0.000 1.113 373 T CA -0.473 61.620 62.100 -0.012 0.000 1.008 373 T CB 0.987 69.855 68.868 -0.000 0.000 1.259 373 T HN 2.499 nan 8.240 nan 0.000 0.520 374 G N -0.248 108.516 108.800 -0.060 0.000 2.379 374 G HA2 0.387 4.346 3.960 -0.001 0.000 0.609 374 G HA3 0.387 4.346 3.960 -0.001 0.000 0.609 374 G C -0.054 174.751 174.900 -0.158 0.000 1.484 374 G CA 0.278 45.330 45.100 -0.080 0.000 0.921 374 G HN 1.776 nan 8.290 nan 0.000 0.658 375 T N -2.428 111.991 114.554 -0.225 0.000 3.332 375 T HA 0.521 4.871 4.350 -0.001 0.000 0.304 375 T C 0.306 174.779 174.700 -0.378 0.000 0.971 375 T CA 0.145 61.958 62.100 -0.477 0.000 0.954 375 T CB 0.264 68.915 68.868 -0.361 0.000 1.175 375 T HN 0.635 nan 8.240 nan 0.000 0.519 376 K N -0.002 120.379 120.400 -0.032 0.000 2.433 376 K HA 0.836 5.155 4.320 -0.001 0.000 0.252 376 K C -1.091 175.630 176.600 0.201 0.000 1.015 376 K CA -0.931 55.420 56.287 0.107 0.000 0.860 376 K CB 2.197 34.705 32.500 0.012 0.000 1.359 376 K HN 0.163 nan 8.250 nan 0.000 0.452 377 C N 0.251 119.623 119.300 0.119 0.000 3.108 377 C HA 0.508 4.967 4.460 -0.001 0.000 0.321 377 C C 0.183 175.190 174.990 0.030 0.000 1.357 377 C CA -1.027 58.032 59.018 0.068 0.000 1.562 377 C CB 0.923 28.673 27.740 0.017 0.000 2.003 377 C HN 0.845 nan 8.230 nan 0.000 0.460 378 I N 2.680 123.265 120.570 0.025 0.000 2.696 378 I HA 0.072 4.241 4.170 -0.001 0.000 0.284 378 I C 0.405 176.533 176.117 0.017 0.000 1.129 378 I CA 0.344 61.654 61.300 0.017 0.000 1.410 378 I CB 0.327 38.351 38.000 0.040 0.000 1.399 378 I HN 0.700 nan 8.210 nan 0.000 0.579 379 N N 4.936 123.653 118.700 0.029 0.000 2.513 379 N HA 0.036 4.775 4.740 -0.001 0.000 0.268 379 N C 0.873 176.444 175.510 0.101 0.000 1.180 379 N CA 0.647 53.745 53.050 0.080 0.000 0.948 379 N CB 1.702 40.274 38.487 0.142 0.000 1.083 379 N HN 0.852 nan 8.380 nan 0.000 0.455 380 G N 2.871 111.678 108.800 0.013 0.000 2.450 380 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 380 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 380 G C 1.093 175.910 174.900 -0.139 0.000 1.130 380 G CA 0.516 45.566 45.100 -0.084 0.000 0.760 380 G HN 0.813 nan 8.290 nan 0.000 0.557 381 E N -0.780 119.377 120.200 -0.072 0.000 2.268 381 E HA -0.061 4.288 4.350 -0.001 0.000 0.195 381 E C 1.251 177.673 176.600 -0.296 0.000 0.995 381 E CA 0.350 56.631 56.400 -0.198 0.000 0.836 381 E CB -0.072 29.500 29.700 -0.212 0.000 0.763 381 E HN 0.678 nan 8.360 nan 0.000 0.491 382 Y N -0.146 120.102 120.300 -0.086 0.000 2.466 382 Y HA 0.175 4.724 4.550 -0.001 0.000 0.272 382 Y C 0.654 176.527 175.900 -0.045 0.000 1.169 382 Y CA -0.306 57.767 58.100 -0.045 0.000 1.285 382 Y CB 0.165 38.612 38.460 -0.022 0.000 1.078 382 Y HN -0.060 nan 8.280 nan 0.000 0.523 383 M N 0.482 120.061 119.600 -0.034 0.000 2.248 383 M HA -0.064 4.416 4.480 -0.001 0.000 0.343 383 M C 0.564 176.949 176.300 0.141 0.000 1.243 383 M CA 0.782 56.051 55.300 -0.051 0.000 1.025 383 M CB 0.379 32.725 32.600 -0.422 0.000 1.759 383 M HN 0.039 nan 8.290 nan 0.000 0.452 384 S N 1.227 117.065 115.700 0.231 0.000 2.462 384 S HA 0.232 4.701 4.470 -0.001 0.000 0.294 384 S C 0.178 174.979 174.600 0.335 0.000 1.144 384 S CA -0.961 57.379 58.200 0.233 0.000 1.088 384 S CB 0.706 63.945 63.200 0.066 0.000 1.009 384 S HN 0.704 nan 8.310 nan 0.000 0.484 385 D N 3.660 124.202 120.400 0.236 0.000 2.358 385 D HA 0.115 4.754 4.640 -0.001 0.000 0.224 385 D C 0.756 177.039 176.300 -0.029 0.000 1.123 385 D CA -0.071 53.936 54.000 0.012 0.000 0.833 385 D CB -0.007 40.598 40.800 -0.325 0.000 0.946 385 D HN 0.532 nan 8.370 nan 0.000 0.505 386 R N -0.523 119.879 120.500 -0.163 0.000 2.572 386 R HA 0.348 4.687 4.340 -0.001 0.000 0.370 386 R C 0.823 176.448 176.300 -1.125 0.000 1.005 386 R CA 0.169 55.991 56.100 -0.462 0.000 1.146 386 R CB 0.958 31.085 30.300 -0.290 0.000 1.390 386 R HN 0.159 nan 8.270 nan 0.000 0.553 387 G N 1.618 109.919 108.800 -0.831 0.000 2.147 387 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 387 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 387 G C 0.493 175.187 174.900 -0.343 0.000 1.005 387 G CA 0.057 44.717 45.100 -0.733 0.000 0.713 387 G HN 0.296 nan 8.290 nan 0.000 0.515 388 L N -0.521 120.559 121.223 -0.239 0.000 2.607 388 L HA 0.571 4.910 4.340 -0.001 0.000 0.228 388 L C 1.354 178.205 176.870 -0.032 0.000 1.123 388 L CA 0.665 55.426 54.840 -0.131 0.000 0.890 388 L CB 0.228 42.194 42.059 -0.155 0.000 1.103 388 L HN 0.502 nan 8.230 nan 0.000 0.468 389 A N 0.599 123.421 122.820 0.003 0.000 2.371 389 A HA 0.658 4.978 4.320 -0.001 0.000 0.311 389 A C -0.668 176.956 177.584 0.066 0.000 1.068 389 A CA -0.473 51.593 52.037 0.048 0.000 0.744 389 A CB 1.121 20.167 19.000 0.078 0.000 1.239 389 A HN 0.058 nan 8.150 nan 0.000 0.435 390 L N 2.487 123.754 121.223 0.073 0.000 2.360 390 L HA 0.164 4.503 4.340 -0.001 0.000 0.276 390 L C 0.965 177.889 176.870 0.089 0.000 1.121 390 L CA -0.160 54.734 54.840 0.090 0.000 0.845 390 L CB 0.770 42.885 42.059 0.094 0.000 1.143 390 L HN 0.957 nan 8.230 nan 0.000 0.452 391 N N 0.949 119.710 118.700 0.103 0.000 2.333 391 N HA -0.071 4.668 4.740 -0.001 0.000 0.178 391 N C -0.281 175.274 175.510 0.074 0.000 1.018 391 N CA 0.540 53.643 53.050 0.089 0.000 0.882 391 N CB 0.323 38.874 38.487 0.107 0.000 0.984 391 N HN 0.498 nan 8.380 nan 0.000 0.434 392 D N -0.654 119.803 120.400 0.095 0.000 2.602 392 D HA 0.227 4.866 4.640 -0.001 0.000 0.245 392 D C -0.990 175.391 176.300 0.135 0.000 1.325 392 D CA -0.621 53.430 54.000 0.084 0.000 0.952 392 D CB 0.726 41.562 40.800 0.060 0.000 1.317 392 D HN -0.020 nan 8.370 nan 0.000 0.577 393 C N 3.591 122.989 119.300 0.164 0.000 2.668 393 C HA 0.251 4.711 4.460 -0.001 0.000 0.301 393 C C 0.787 175.911 174.990 0.222 0.000 1.351 393 C CA -0.410 58.711 59.018 0.172 0.000 1.757 393 C CB -1.685 26.129 27.740 0.124 0.000 2.179 393 C HN 0.523 nan 8.230 nan 0.000 0.586 394 H N 0.259 119.365 119.070 0.059 0.000 2.928 394 H HA 0.083 4.639 4.556 -0.001 0.000 0.338 394 H C 1.444 176.817 175.328 0.075 0.000 1.047 394 H CA 0.310 56.386 56.048 0.047 0.000 1.435 394 H CB 1.051 30.837 29.762 0.040 0.000 1.428 394 H HN 0.435 nan 8.280 nan 0.000 0.590 395 A N 4.226 127.116 122.820 0.117 0.000 1.892 395 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 395 A C 2.204 179.881 177.584 0.154 0.000 1.188 395 A CA 1.862 53.957 52.037 0.097 0.000 0.631 395 A CB -0.303 18.704 19.000 0.012 0.000 0.822 395 A HN 0.899 nan 8.150 nan 0.000 0.447 396 E N 0.147 120.452 120.200 0.174 0.000 2.110 396 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 396 E C 1.872 178.714 176.600 0.404 0.000 0.988 396 E CA 1.366 57.913 56.400 0.244 0.000 0.804 396 E CB -0.644 29.179 29.700 0.205 0.000 0.745 396 E HN 0.528 nan 8.360 nan 0.000 0.458 397 I N 1.826 122.633 120.570 0.394 0.000 2.179 397 I HA -0.216 3.953 4.170 -0.001 0.000 0.242 397 I C 2.672 178.969 176.117 0.299 0.000 1.088 397 I CA 0.737 62.303 61.300 0.444 0.000 1.357 397 I CB -1.029 37.172 38.000 0.336 0.000 1.051 397 I HN 0.067 nan 8.210 nan 0.000 0.409 398 I N 0.617 121.328 120.570 0.235 0.000 2.264 398 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 398 I C 2.660 178.878 176.117 0.169 0.000 1.111 398 I CA 1.243 62.654 61.300 0.185 0.000 1.382 398 I CB -1.286 36.816 38.000 0.170 0.000 1.060 398 I HN 0.178 nan 8.210 nan 0.000 0.418 399 S N 0.079 115.889 115.700 0.184 0.000 2.382 399 S HA -0.173 4.297 4.470 -0.001 0.000 0.228 399 S C 2.138 176.818 174.600 0.133 0.000 1.027 399 S CA 1.044 59.346 58.200 0.170 0.000 0.991 399 S CB -0.202 63.108 63.200 0.184 0.000 0.823 399 S HN 0.372 nan 8.310 nan 0.000 0.469 400 R N 1.010 121.571 120.500 0.102 0.000 2.081 400 R HA -0.026 4.313 4.340 -0.001 0.000 0.235 400 R C 2.364 178.621 176.300 -0.072 0.000 1.131 400 R CA 1.217 57.261 56.100 -0.092 0.000 0.960 400 R CB -0.113 29.879 30.300 -0.514 0.000 0.856 400 R HN 0.312 nan 8.270 nan 0.000 0.436 401 R N -0.302 120.211 120.500 0.021 0.000 2.096 401 R HA -0.049 4.290 4.340 -0.001 0.000 0.235 401 R C 2.413 178.755 176.300 0.070 0.000 1.127 401 R CA 1.684 57.818 56.100 0.057 0.000 0.968 401 R CB -0.207 30.160 30.300 0.111 0.000 0.861 401 R HN 0.172 nan 8.270 nan 0.000 0.440 402 S N 1.426 117.171 115.700 0.076 0.000 2.368 402 S HA -0.132 4.337 4.470 -0.001 0.000 0.225 402 S C 1.838 176.468 174.600 0.050 0.000 1.030 402 S CA 1.033 59.274 58.200 0.068 0.000 0.999 402 S CB -0.254 62.995 63.200 0.081 0.000 0.844 402 S HN 0.187 nan 8.310 nan 0.000 0.459 403 L N 2.236 123.471 121.223 0.021 0.000 2.079 403 L HA -0.059 4.280 4.340 -0.001 0.000 0.210 403 L C 1.875 178.742 176.870 -0.006 0.000 1.081 403 L CA 1.580 56.409 54.840 -0.018 0.000 0.752 403 L CB -0.732 41.247 42.059 -0.132 0.000 0.896 403 L HN 0.291 nan 8.230 nan 0.000 0.433 404 L N -0.900 120.303 121.223 -0.034 0.000 2.042 404 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 404 L C 2.772 179.700 176.870 0.096 0.000 1.076 404 L CA 1.609 56.426 54.840 -0.038 0.000 0.749 404 L CB -0.704 41.371 42.059 0.026 0.000 0.893 404 L HN 0.270 nan 8.230 nan 0.000 0.432 405 R N -0.590 120.030 120.500 0.199 0.000 2.091 405 R HA -0.212 4.127 4.340 -0.001 0.000 0.238 405 R C 2.313 178.736 176.300 0.205 0.000 1.136 405 R CA 1.858 58.110 56.100 0.255 0.000 0.959 405 R CB -0.564 29.829 30.300 0.156 0.000 0.856 405 R HN 0.210 nan 8.270 nan 0.000 0.437 406 F N 1.627 121.582 119.950 0.007 0.000 2.126 406 F HA -0.177 4.349 4.527 -0.001 0.000 0.299 406 F C 1.833 177.652 175.800 0.031 0.000 1.096 406 F CA 1.430 59.427 58.000 -0.004 0.000 1.255 406 F CB -0.260 38.720 39.000 -0.033 0.000 0.997 406 F HN -0.086 nan 8.300 nan 0.000 0.479 407 L N -1.142 120.031 121.223 -0.084 0.000 2.046 407 L HA -0.271 4.068 4.340 -0.001 0.000 0.208 407 L C 2.456 179.254 176.870 -0.120 0.000 1.077 407 L CA 1.447 56.206 54.840 -0.136 0.000 0.747 407 L CB -1.119 40.861 42.059 -0.132 0.000 0.896 407 L HN 0.146 nan 8.230 nan 0.000 0.432 408 Y N 0.347 120.639 120.300 -0.013 0.000 2.128 408 Y HA -0.262 4.287 4.550 -0.001 0.000 0.284 408 Y C 2.908 178.746 175.900 -0.103 0.000 1.154 408 Y CA 1.795 59.871 58.100 -0.040 0.000 1.149 408 Y CB -1.224 37.245 38.460 0.015 0.000 0.976 408 Y HN 0.126 nan 8.280 nan 0.000 0.505 409 T N -0.263 114.319 114.554 0.048 0.000 2.720 409 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 409 T C 1.853 176.482 174.700 -0.119 0.000 1.037 409 T CA 1.463 63.537 62.100 -0.043 0.000 1.144 409 T CB -0.193 68.653 68.868 -0.036 0.000 0.864 409 T HN 0.297 nan 8.240 nan 0.000 0.444 410 Q N 0.487 120.150 119.800 -0.227 0.000 2.119 410 Q HA 0.089 4.429 4.340 -0.001 0.000 0.201 410 Q C 2.477 178.502 176.000 0.042 0.000 0.972 410 Q CA 0.920 56.625 55.803 -0.164 0.000 0.847 410 Q CB -0.520 28.002 28.738 -0.360 0.000 0.903 410 Q HN 0.501 nan 8.270 nan 0.000 0.433 411 L N 0.550 121.753 121.223 -0.034 0.000 2.056 411 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 411 L C 2.277 179.008 176.870 -0.231 0.000 1.078 411 L CA 1.145 55.812 54.840 -0.289 0.000 0.749 411 L CB -0.311 41.451 42.059 -0.495 0.000 0.901 411 L HN 0.237 nan 8.230 nan 0.000 0.433 412 E N 0.057 120.164 120.200 -0.156 0.000 2.110 412 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 412 E C 2.346 178.886 176.600 -0.100 0.000 0.988 412 E CA 1.034 57.354 56.400 -0.134 0.000 0.804 412 E CB -0.136 29.506 29.700 -0.097 0.000 0.745 412 E HN 0.456 nan 8.360 nan 0.000 0.458 413 L N 0.033 121.214 121.223 -0.070 0.000 2.012 413 L HA -0.240 4.099 4.340 -0.001 0.000 0.210 413 L C 2.545 179.379 176.870 -0.060 0.000 1.073 413 L CA 1.452 56.260 54.840 -0.054 0.000 0.748 413 L CB -0.518 41.521 42.059 -0.033 0.000 0.891 413 L HN 0.217 nan 8.230 nan 0.000 0.431 414 Y N 0.541 120.748 120.300 -0.156 0.000 2.165 414 Y HA -0.256 4.293 4.550 -0.001 0.000 0.286 414 Y C 2.292 178.070 175.900 -0.203 0.000 1.155 414 Y CA 1.655 59.645 58.100 -0.183 0.000 1.164 414 Y CB -0.043 38.240 38.460 -0.295 0.000 0.978 414 Y HN 0.034 nan 8.280 nan 0.000 0.513 415 L N -0.244 120.920 121.223 -0.099 0.000 2.341 415 L HA -0.112 4.227 4.340 -0.001 0.000 0.214 415 L C 1.991 178.775 176.870 -0.144 0.000 1.115 415 L CA 0.354 55.116 54.840 -0.130 0.000 0.820 415 L CB -0.495 41.465 42.059 -0.164 0.000 0.944 415 L HN 0.193 nan 8.230 nan 0.000 0.452 416 N N 1.081 119.699 118.700 -0.135 0.000 2.039 416 N HA -0.102 4.637 4.740 -0.001 0.000 0.193 416 N C 0.232 175.677 175.510 -0.108 0.000 1.044 416 N CA 1.348 54.333 53.050 -0.108 0.000 0.847 416 N CB -0.235 38.198 38.487 -0.090 0.000 1.030 416 N HN 0.561 nan 8.380 nan 0.000 0.422 417 N N -2.361 116.261 118.700 -0.130 0.000 3.355 417 N HA 0.047 4.786 4.740 -0.001 0.000 0.238 417 N C -0.092 175.330 175.510 -0.145 0.000 1.466 417 N CA -0.626 52.353 53.050 -0.118 0.000 0.882 417 N CB 0.985 39.423 38.487 -0.081 0.000 1.406 417 N HN -0.080 nan 8.380 nan 0.000 0.500 418 K N -1.061 119.266 120.400 -0.122 0.000 2.209 418 K HA -0.101 4.219 4.320 -0.001 0.000 0.204 418 K C -0.164 176.375 176.600 -0.103 0.000 1.048 418 K CA 1.490 57.701 56.287 -0.126 0.000 0.940 418 K CB -0.171 32.276 32.500 -0.088 0.000 0.729 418 K HN 0.484 nan 8.250 nan 0.000 0.451 419 D N 1.549 121.901 120.400 -0.079 0.000 2.149 419 D HA -0.087 4.553 4.640 -0.001 0.000 0.206 419 D C 1.442 177.709 176.300 -0.055 0.000 0.967 419 D CA 0.946 54.913 54.000 -0.056 0.000 0.848 419 D CB -0.238 40.538 40.800 -0.041 0.000 0.998 419 D HN 0.192 nan 8.370 nan 0.000 0.474 420 D N 0.882 121.244 120.400 -0.064 0.000 2.149 420 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 420 D C 1.942 178.199 176.300 -0.073 0.000 0.990 420 D CA 0.708 54.673 54.000 -0.059 0.000 0.839 420 D CB -0.252 40.510 40.800 -0.065 0.000 0.948 420 D HN 0.270 nan 8.370 nan 0.000 0.460 421 Q N 0.570 120.293 119.800 -0.128 0.000 2.135 421 Q HA -0.203 4.136 4.340 -0.001 0.000 0.204 421 Q C 1.747 177.701 176.000 -0.076 0.000 0.981 421 Q CA 1.360 57.053 55.803 -0.182 0.000 0.856 421 Q CB 0.088 28.600 28.738 -0.376 0.000 0.902 421 Q HN 0.184 nan 8.270 nan 0.000 0.425 422 K N -0.410 119.956 120.400 -0.056 0.000 2.152 422 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 422 K C 1.855 178.459 176.600 0.006 0.000 1.048 422 K CA 1.105 57.382 56.287 -0.017 0.000 0.933 422 K CB 0.111 32.601 32.500 -0.017 0.000 0.721 422 K HN 0.131 nan 8.250 nan 0.000 0.447 423 R N 0.311 120.812 120.500 0.002 0.000 2.246 423 R HA 0.091 4.431 4.340 -0.001 0.000 0.199 423 R C 1.012 177.325 176.300 0.022 0.000 0.984 423 R CA 0.140 56.249 56.100 0.016 0.000 1.015 423 R CB -0.534 29.774 30.300 0.014 0.000 0.930 423 R HN -0.032 nan 8.270 nan 0.000 0.475 424 S N 1.391 117.110 115.700 0.031 0.000 2.564 424 S HA 0.132 4.602 4.470 -0.001 0.000 0.278 424 S C 1.545 176.154 174.600 0.016 0.000 1.333 424 S CA -0.575 57.652 58.200 0.045 0.000 1.048 424 S CB 0.591 63.886 63.200 0.158 0.000 0.900 424 S HN 0.343 nan 8.310 nan 0.000 0.505 425 I N 1.387 121.895 120.570 -0.103 0.000 3.291 425 I HA 0.291 4.460 4.170 -0.001 0.000 0.279 425 I C -0.462 175.471 176.117 -0.306 0.000 1.294 425 I CA 0.069 61.247 61.300 -0.204 0.000 1.428 425 I CB -0.154 37.682 38.000 -0.274 0.000 1.070 425 I HN 0.285 nan 8.210 nan 0.000 0.478 426 F N 2.727 122.670 119.950 -0.011 0.000 2.377 426 F HA 0.490 5.016 4.527 -0.001 0.000 0.328 426 F C 0.523 176.315 175.800 -0.013 0.000 1.094 426 F CA -0.609 57.352 58.000 -0.065 0.000 1.093 426 F CB 1.139 39.992 39.000 -0.244 0.000 1.214 426 F HN 0.149 nan 8.300 nan 0.000 0.518 427 Q N 0.979 120.897 119.800 0.195 0.000 2.458 427 Q HA 0.450 4.790 4.340 -0.001 0.000 0.282 427 Q C -1.205 174.851 176.000 0.094 0.000 1.106 427 Q CA -1.414 54.490 55.803 0.167 0.000 0.814 427 Q CB 2.205 31.039 28.738 0.160 0.000 1.425 427 Q HN 0.559 nan 8.270 nan 0.000 0.437 428 K N 0.809 121.290 120.400 0.134 0.000 2.436 428 K HA 0.099 4.419 4.320 -0.001 0.000 0.275 428 K C -0.670 175.937 176.600 0.012 0.000 0.999 428 K CA 0.098 56.430 56.287 0.075 0.000 0.980 428 K CB 0.880 33.461 32.500 0.135 0.000 0.919 428 K HN 0.600 nan 8.250 nan 0.000 0.484 429 S N 2.672 118.317 115.700 -0.091 0.000 2.489 429 S HA 0.125 4.594 4.470 -0.001 0.000 0.291 429 S C 0.610 175.169 174.600 -0.070 0.000 1.151 429 S CA -0.755 57.407 58.200 -0.062 0.000 1.082 429 S CB 1.117 64.269 63.200 -0.080 0.000 1.019 429 S HN 0.705 nan 8.310 nan 0.000 0.492 430 E N 3.571 123.752 120.200 -0.031 0.000 2.333 430 E HA -0.085 4.265 4.350 -0.001 0.000 0.198 430 E C 1.350 177.928 176.600 -0.036 0.000 1.007 430 E CA 0.802 57.187 56.400 -0.025 0.000 0.845 430 E CB -0.003 29.692 29.700 -0.007 0.000 0.766 430 E HN 0.617 nan 8.360 nan 0.000 0.507 431 R N 0.086 120.558 120.500 -0.046 0.000 2.297 431 R HA 0.160 4.500 4.340 -0.001 0.000 0.197 431 R C 0.653 176.910 176.300 -0.072 0.000 0.943 431 R CA 0.548 56.620 56.100 -0.047 0.000 1.038 431 R CB 0.486 30.764 30.300 -0.037 0.000 0.957 431 R HN 0.101 nan 8.270 nan 0.000 0.484 432 G N -0.684 108.046 108.800 -0.116 0.000 2.525 432 G HA2 0.242 4.201 3.960 -0.001 0.000 0.685 432 G HA3 0.242 4.201 3.960 -0.001 0.000 0.685 432 G C 0.128 174.849 174.900 -0.299 0.000 1.285 432 G CA -0.712 44.284 45.100 -0.175 0.000 0.849 432 G HN 0.446 nan 8.290 nan 0.000 0.653 433 G N -0.197 108.298 108.800 -0.509 0.000 2.564 433 G HA2 0.225 4.184 3.960 -0.001 0.000 0.273 433 G HA3 0.225 4.184 3.960 -0.001 0.000 0.273 433 G C -0.028 174.188 174.900 -1.141 0.000 1.242 433 G CA 0.957 45.514 45.100 -0.905 0.000 0.951 433 G HN 1.851 nan 8.290 nan 0.000 0.564 434 F N 0.532 120.362 119.950 -0.200 0.000 2.593 434 F HA 0.857 5.384 4.527 -0.001 0.000 0.320 434 F C 0.768 176.512 175.800 -0.093 0.000 1.060 434 F CA -0.307 57.543 58.000 -0.249 0.000 0.940 434 F CB 2.201 40.889 39.000 -0.520 0.000 1.268 434 F HN 0.921 nan 8.300 nan 0.000 0.475 435 R N 0.687 121.327 120.500 0.234 0.000 2.817 435 R HA 0.743 5.082 4.340 -0.001 0.000 0.268 435 R C -1.850 174.650 176.300 0.333 0.000 1.027 435 R CA -1.043 55.215 56.100 0.264 0.000 0.928 435 R CB 1.323 31.690 30.300 0.112 0.000 1.228 435 R HN 0.638 nan 8.270 nan 0.000 0.469 436 L N 1.803 123.140 121.223 0.192 0.000 2.439 436 L HA 0.247 4.586 4.340 -0.001 0.000 0.269 436 L C 0.504 177.385 176.870 0.019 0.000 1.179 436 L CA -0.266 54.580 54.840 0.011 0.000 0.828 436 L CB 0.469 42.514 42.059 -0.025 0.000 1.106 436 L HN 0.555 nan 8.230 nan 0.000 0.467 437 K N 1.862 122.247 120.400 -0.026 0.000 2.380 437 K HA 0.025 4.344 4.320 -0.001 0.000 0.267 437 K C -0.079 176.515 176.600 -0.010 0.000 0.990 437 K CA -0.507 55.780 56.287 0.000 0.000 0.946 437 K CB 0.349 32.845 32.500 -0.007 0.000 0.937 437 K HN 0.442 nan 8.250 nan 0.000 0.491 438 E N 2.572 122.775 120.200 0.005 0.000 2.414 438 E HA -0.101 4.248 4.350 -0.001 0.000 0.263 438 E C -0.130 176.464 176.600 -0.009 0.000 1.000 438 E CA -0.101 56.301 56.400 0.003 0.000 0.914 438 E CB 0.085 29.790 29.700 0.009 0.000 0.948 438 E HN 0.584 nan 8.360 nan 0.000 0.444 439 N N -0.667 118.029 118.700 -0.008 0.000 2.828 439 N HA -0.159 4.580 4.740 -0.001 0.000 0.248 439 N C -0.664 174.831 175.510 -0.025 0.000 1.044 439 N CA 0.941 53.987 53.050 -0.007 0.000 0.851 439 N CB -1.673 36.811 38.487 -0.006 0.000 1.136 439 N HN 0.378 nan 8.380 nan 0.000 0.572 440 V N 1.375 121.246 119.914 -0.070 0.000 2.470 440 V HA 0.138 4.257 4.120 -0.001 0.000 0.276 440 V C 0.674 176.620 176.094 -0.246 0.000 1.040 440 V CA 0.324 62.520 62.300 -0.173 0.000 1.008 440 V CB 1.227 32.921 31.823 -0.215 0.000 0.990 440 V HN 0.102 nan 8.190 nan 0.000 0.477 441 Q N 3.670 123.266 119.800 -0.340 0.000 2.397 441 Q HA 0.628 4.967 4.340 -0.001 0.000 0.275 441 Q C -1.625 173.951 176.000 -0.707 0.000 1.090 441 Q CA -0.615 54.970 55.803 -0.362 0.000 0.809 441 Q CB 2.981 31.637 28.738 -0.136 0.000 1.362 441 Q HN 0.609 nan 8.270 nan 0.000 0.431 442 F N 0.851 120.663 119.950 -0.230 0.000 2.508 442 F HA 0.455 4.981 4.527 -0.001 0.000 0.325 442 F C 0.022 175.720 175.800 -0.169 0.000 1.090 442 F CA -0.636 57.302 58.000 -0.104 0.000 0.945 442 F CB 1.495 40.565 39.000 0.117 0.000 1.156 442 F HN 0.355 nan 8.300 nan 0.000 0.463 443 H N 3.243 122.595 119.070 0.471 0.000 2.689 443 H HA 0.395 4.951 4.556 -0.001 0.000 0.346 443 H C -1.352 174.006 175.328 0.050 0.000 1.037 443 H CA -0.857 55.332 56.048 0.236 0.000 1.234 443 H CB 2.641 32.475 29.762 0.121 0.000 1.572 443 H HN 0.462 nan 8.280 nan 0.000 0.524 444 L N 3.895 125.004 121.223 -0.191 0.000 2.289 444 L HA 0.273 4.612 4.340 -0.001 0.000 0.285 444 L C -1.235 175.626 176.870 -0.015 0.000 1.049 444 L CA -0.559 54.050 54.840 -0.386 0.000 0.804 444 L CB 0.513 42.014 42.059 -0.930 0.000 1.195 444 L HN 0.497 nan 8.230 nan 0.000 0.428 445 Y N 5.836 126.107 120.300 -0.048 0.000 2.377 445 Y HA 0.767 5.316 4.550 -0.001 0.000 0.339 445 Y C -0.983 174.922 175.900 0.008 0.000 1.011 445 Y CA -1.215 56.883 58.100 -0.003 0.000 1.093 445 Y CB 1.194 39.664 38.460 0.017 0.000 1.201 445 Y HN 0.549 nan 8.280 nan 0.000 0.455 446 I N 4.530 124.541 120.570 -0.932 0.000 2.619 446 I HA 0.228 4.397 4.170 -0.001 0.000 0.292 446 I C 0.552 176.102 176.117 -0.945 0.000 1.100 446 I CA -0.735 60.135 61.300 -0.717 0.000 1.043 446 I CB 2.499 40.333 38.000 -0.276 0.000 1.239 446 I HN 0.694 nan 8.210 nan 0.000 0.420 447 S N 1.619 116.950 115.700 -0.615 0.000 2.555 447 S HA 0.027 4.496 4.470 -0.001 0.000 0.230 447 S C 0.667 175.184 174.600 -0.139 0.000 0.978 447 S CA 0.446 58.469 58.200 -0.296 0.000 0.934 447 S CB -0.079 63.086 63.200 -0.059 0.000 0.766 447 S HN 0.796 nan 8.310 nan 0.000 0.533 448 T N 1.128 115.592 114.554 -0.150 0.000 2.762 448 T HA 0.493 4.843 4.350 -0.001 0.000 0.301 448 T C -1.069 173.601 174.700 -0.050 0.000 1.299 448 T CA -0.255 61.806 62.100 -0.065 0.000 1.005 448 T CB 1.521 70.359 68.868 -0.050 0.000 1.377 448 T HN 0.371 nan 8.240 nan 0.000 0.504 449 S N 3.216 118.913 115.700 -0.005 0.000 2.549 449 S HA 0.376 4.846 4.470 -0.001 0.000 0.286 449 S C -2.435 172.162 174.600 -0.004 0.000 1.314 449 S CA -0.841 57.366 58.200 0.012 0.000 1.062 449 S CB 0.182 63.398 63.200 0.026 0.000 0.865 449 S HN 0.604 nan 8.310 nan 0.000 0.498 450 P HA 0.162 nan 4.420 nan 0.000 0.271 450 P C 0.695 178.000 177.300 0.010 0.000 1.216 450 P CA -0.661 62.445 63.100 0.011 0.000 0.776 450 P CB 0.095 31.800 31.700 0.008 0.000 0.881 451 C N 1.302 120.622 119.300 0.034 0.000 2.741 451 C HA 0.616 5.075 4.460 -0.001 0.000 0.403 451 C C 1.236 176.213 174.990 -0.021 0.000 1.282 451 C CA 0.955 59.984 59.018 0.019 0.000 2.053 451 C CB -1.364 26.430 27.740 0.090 0.000 2.731 451 C HN 1.029 nan 8.230 nan 0.000 0.680 452 G N 2.231 111.004 108.800 -0.044 0.000 2.484 452 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.225 452 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.225 452 G C 0.217 175.100 174.900 -0.027 0.000 1.250 452 G CA 1.016 46.078 45.100 -0.062 0.000 0.926 452 G HN 1.061 nan 8.290 nan 0.000 0.581 453 D N 0.352 120.756 120.400 0.006 0.000 2.158 453 D HA 0.087 4.727 4.640 -0.001 0.000 0.197 453 D C 2.711 179.069 176.300 0.097 0.000 0.995 453 D CA 2.984 57.038 54.000 0.090 0.000 0.846 453 D CB -0.549 40.301 40.800 0.083 0.000 0.941 453 D HN 1.052 nan 8.370 nan 0.000 0.456 454 A N -0.210 122.634 122.820 0.041 0.000 1.969 454 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 454 A C 2.270 179.854 177.584 0.000 0.000 1.169 454 A CA 1.348 53.403 52.037 0.031 0.000 0.635 454 A CB -0.392 18.625 19.000 0.029 0.000 0.810 454 A HN 0.206 nan 8.150 nan 0.000 0.445 455 R N -1.282 119.206 120.500 -0.019 0.000 2.128 455 R HA 0.140 4.479 4.340 -0.001 0.000 0.211 455 R C 1.823 178.059 176.300 -0.106 0.000 1.067 455 R CA 0.757 56.826 56.100 -0.051 0.000 1.010 455 R CB -0.201 30.072 30.300 -0.045 0.000 0.922 455 R HN 0.404 nan 8.270 nan 0.000 0.457 456 I N 0.565 121.054 120.570 -0.135 0.000 2.493 456 I HA -0.081 4.088 4.170 -0.001 0.000 0.254 456 I C -0.006 175.832 176.117 -0.466 0.000 1.160 456 I CA 1.075 62.204 61.300 -0.285 0.000 1.445 456 I CB 0.098 37.903 38.000 -0.326 0.000 1.086 456 I HN -0.036 nan 8.210 nan 0.000 0.433 476 A N 1.970 124.920 122.820 0.216 0.000 2.488 476 A HA 0.599 4.918 4.320 -0.001 0.000 0.298 476 A C -1.139 176.619 177.584 0.291 0.000 1.044 476 A CA -0.970 51.210 52.037 0.238 0.000 0.693 476 A CB 1.414 20.476 19.000 0.103 0.000 1.272 476 A HN 0.666 nan 8.150 nan 0.000 0.402 477 R N 0.922 121.478 120.500 0.093 0.000 2.421 477 R HA 0.397 4.736 4.340 -0.001 0.000 0.305 477 R C 1.307 177.575 176.300 -0.054 0.000 1.039 477 R CA 1.455 57.414 56.100 -0.235 0.000 1.003 477 R CB 0.320 30.365 30.300 -0.426 0.000 0.959 477 R HN 1.811 nan 8.270 nan 0.000 0.427 478 G N 1.825 110.625 108.800 -0.000 0.000 2.195 478 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.246 478 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.246 478 G C 0.215 175.174 174.900 0.098 0.000 0.984 478 G CA 0.109 45.243 45.100 0.057 0.000 0.633 478 G HN 0.611 nan 8.290 nan 0.000 0.525 479 Q N 0.602 120.452 119.800 0.085 0.000 2.364 479 Q HA 0.496 4.836 4.340 -0.001 0.000 0.267 479 Q C 0.859 176.837 176.000 -0.037 0.000 0.999 479 Q CA -0.471 55.355 55.803 0.039 0.000 0.886 479 Q CB 0.263 29.022 28.738 0.035 0.000 1.243 479 Q HN 0.460 nan 8.270 nan 0.000 0.415 480 L N 4.010 125.152 121.223 -0.135 0.000 2.514 480 L HA 0.121 4.460 4.340 -0.001 0.000 0.280 480 L C 0.381 177.113 176.870 -0.230 0.000 1.223 480 L CA 0.721 55.389 54.840 -0.286 0.000 0.864 480 L CB 0.202 41.996 42.059 -0.442 0.000 1.118 480 L HN 0.703 nan 8.230 nan 0.000 0.494 481 R N 0.627 120.969 120.500 -0.262 0.000 2.808 481 R HA 0.576 4.915 4.340 -0.001 0.000 0.272 481 R C -0.968 175.173 176.300 -0.266 0.000 0.995 481 R CA -0.791 55.180 56.100 -0.216 0.000 0.917 481 R CB 2.386 32.594 30.300 -0.153 0.000 1.217 481 R HN 0.678 nan 8.270 nan 0.000 0.471 482 T N -0.876 113.545 114.554 -0.222 0.000 2.863 482 T HA 0.465 4.814 4.350 -0.001 0.000 0.285 482 T C -0.348 174.252 174.700 -0.167 0.000 1.009 482 T CA -1.165 60.798 62.100 -0.227 0.000 0.989 482 T CB 1.696 70.434 68.868 -0.216 0.000 1.004 482 T HN 0.258 nan 8.240 nan 0.000 0.455 483 K N 1.494 121.792 120.400 -0.170 0.000 2.380 483 K HA 0.515 4.834 4.320 -0.001 0.000 0.267 483 K C -0.333 176.205 176.600 -0.104 0.000 0.990 483 K CA -0.306 55.909 56.287 -0.120 0.000 0.946 483 K CB 0.560 32.967 32.500 -0.155 0.000 0.937 483 K HN 0.681 nan 8.250 nan 0.000 0.491 484 I N 1.185 121.713 120.570 -0.070 0.000 2.582 484 I HA 0.128 4.298 4.170 -0.001 0.000 0.292 484 I C -0.445 175.648 176.117 -0.041 0.000 1.066 484 I CA -0.894 60.368 61.300 -0.063 0.000 1.053 484 I CB 1.411 39.372 38.000 -0.064 0.000 1.241 484 I HN 0.762 nan 8.210 nan 0.000 0.421 485 E N 5.292 125.469 120.200 -0.039 0.000 2.452 485 E HA 0.072 4.421 4.350 -0.001 0.000 0.261 485 E C 0.221 176.810 176.600 -0.019 0.000 0.987 485 E CA 0.323 56.709 56.400 -0.023 0.000 0.926 485 E CB 0.552 30.239 29.700 -0.022 0.000 0.934 485 E HN 0.726 nan 8.360 nan 0.000 0.452 486 S N 0.782 116.475 115.700 -0.011 0.000 3.146 486 S HA -0.177 4.292 4.470 -0.001 0.000 0.285 486 S C 0.370 174.961 174.600 -0.016 0.000 1.293 486 S CA 0.944 59.137 58.200 -0.012 0.000 1.137 486 S CB -1.592 61.602 63.200 -0.010 0.000 1.357 486 S HN 0.971 nan 8.310 nan 0.000 0.678 487 G N 0.392 109.181 108.800 -0.018 0.000 2.389 487 G HA2 0.570 4.530 3.960 -0.001 0.000 0.328 487 G HA3 0.570 4.530 3.960 -0.001 0.000 0.328 487 G C -0.537 174.351 174.900 -0.020 0.000 1.133 487 G CA -0.500 44.586 45.100 -0.024 0.000 0.891 487 G HN 0.179 nan 8.290 nan 0.000 0.485 488 E N 0.159 120.343 120.200 -0.027 0.000 2.313 488 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 488 E C 0.976 177.557 176.600 -0.033 0.000 1.038 488 E CA 0.831 57.213 56.400 -0.030 0.000 0.863 488 E CB 1.645 31.323 29.700 -0.037 0.000 1.060 488 E HN 1.015 nan 8.360 nan 0.000 0.402 489 G N 2.360 111.145 108.800 -0.026 0.000 2.562 489 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.250 489 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.250 489 G C -0.134 174.747 174.900 -0.033 0.000 1.269 489 G CA 0.076 45.155 45.100 -0.034 0.000 0.919 489 G HN 0.783 nan 8.290 nan 0.000 0.574 490 T N -1.898 112.619 114.554 -0.061 0.000 2.883 490 T HA 0.753 5.102 4.350 -0.001 0.000 0.296 490 T C -0.032 174.611 174.700 -0.095 0.000 1.117 490 T CA -0.072 61.979 62.100 -0.081 0.000 1.006 490 T CB 2.048 70.860 68.868 -0.093 0.000 1.191 490 T HN 1.965 nan 8.240 nan 0.000 0.508 491 I N -1.661 118.846 120.570 -0.105 0.000 2.689 491 I HA 0.737 4.906 4.170 -0.001 0.000 0.299 491 I C -2.949 173.099 176.117 -0.115 0.000 1.059 491 I CA -3.321 57.917 61.300 -0.103 0.000 1.055 491 I CB 2.360 40.306 38.000 -0.091 0.000 1.243 491 I HN 0.343 nan 8.210 nan 0.000 0.425 492 P HA 0.028 nan 4.420 nan 0.000 0.269 492 P C -0.024 177.206 177.300 -0.116 0.000 1.209 492 P CA -0.097 62.940 63.100 -0.104 0.000 0.776 492 P CB 0.730 32.383 31.700 -0.079 0.000 0.876 493 V N 0.866 120.698 119.914 -0.138 0.000 2.872 493 V HA 0.162 4.282 4.120 -0.001 0.000 0.307 493 V C 0.871 176.907 176.094 -0.097 0.000 1.072 493 V CA -0.496 61.719 62.300 -0.141 0.000 1.148 493 V CB -0.362 31.354 31.823 -0.179 0.000 0.954 493 V HN 0.335 nan 8.190 nan 0.000 0.490 494 R N 3.113 123.561 120.500 -0.086 0.000 2.774 494 R HA 0.190 4.529 4.340 -0.001 0.000 0.269 494 R C 1.946 178.217 176.300 -0.048 0.000 1.068 494 R CA 0.454 56.518 56.100 -0.061 0.000 1.180 494 R CB 0.323 30.590 30.300 -0.055 0.000 1.077 494 R HN 1.099 nan 8.270 nan 0.000 0.513 495 S N 0.706 116.386 115.700 -0.034 0.000 2.383 495 S HA -0.073 4.396 4.470 -0.001 0.000 0.227 495 S C 0.496 175.085 174.600 -0.019 0.000 1.026 495 S CA 0.579 58.766 58.200 -0.022 0.000 0.981 495 S CB -0.003 63.188 63.200 -0.015 0.000 0.818 495 S HN 0.560 nan 8.310 nan 0.000 0.472 496 N N 1.951 120.638 118.700 -0.021 0.000 2.434 496 N HA 0.492 5.232 4.740 -0.001 0.000 0.272 496 N C -0.604 174.890 175.510 -0.027 0.000 1.040 496 N CA -0.022 53.017 53.050 -0.018 0.000 0.956 496 N CB 1.396 39.875 38.487 -0.014 0.000 1.108 496 N HN 0.504 nan 8.380 nan 0.000 0.481 497 A N 2.172 124.978 122.820 -0.023 0.000 2.580 497 A HA 0.026 4.345 4.320 -0.001 0.000 0.244 497 A C 0.431 177.993 177.584 -0.036 0.000 1.045 497 A CA 0.014 52.031 52.037 -0.034 0.000 0.761 497 A CB -0.180 18.808 19.000 -0.020 0.000 0.962 497 A HN 0.633 nan 8.150 nan 0.000 0.512 498 S N 3.307 118.973 115.700 -0.056 0.000 2.513 498 S HA 0.539 5.009 4.470 -0.001 0.000 0.276 498 S C -0.037 174.540 174.600 -0.038 0.000 1.254 498 S CA -0.705 57.465 58.200 -0.050 0.000 1.053 498 S CB 1.192 64.351 63.200 -0.069 0.000 0.958 498 S HN 0.695 nan 8.310 nan 0.000 0.491 499 I N 2.851 123.411 120.570 -0.017 0.000 2.355 499 I HA 0.271 4.440 4.170 -0.001 0.000 0.288 499 I C -0.336 175.785 176.117 0.007 0.000 0.999 499 I CA -0.625 60.677 61.300 0.003 0.000 1.163 499 I CB 1.199 39.208 38.000 0.015 0.000 1.316 499 I HN 0.808 nan 8.210 nan 0.000 0.454 500 Q N 5.143 124.952 119.800 0.016 0.000 2.230 500 Q HA 0.456 4.796 4.340 -0.001 0.000 0.248 500 Q C -0.193 175.838 176.000 0.051 0.000 0.915 500 Q CA -0.523 55.291 55.803 0.018 0.000 0.900 500 Q CB 1.750 30.495 28.738 0.012 0.000 1.229 500 Q HN 0.708 nan 8.270 nan 0.000 0.439 501 T N -2.775 111.809 114.554 0.051 0.000 2.893 501 T HA 0.177 4.527 4.350 -0.001 0.000 0.291 501 T C 0.227 175.002 174.700 0.126 0.000 1.028 501 T CA -0.909 61.250 62.100 0.099 0.000 0.995 501 T CB 1.115 70.030 68.868 0.079 0.000 1.051 501 T HN 0.793 nan 8.240 nan 0.000 0.470 502 W N 2.678 123.984 121.300 0.010 0.000 2.333 502 W HA -0.180 4.479 4.660 -0.001 0.000 0.316 502 W C 1.393 177.913 176.519 0.002 0.000 1.215 502 W CA 2.671 60.022 57.345 0.010 0.000 1.278 502 W CB -0.377 29.090 29.460 0.011 0.000 1.154 502 W HN 0.971 nan 8.180 nan 0.000 0.486 503 D N -0.815 119.750 120.400 0.275 0.000 2.144 503 D HA -0.120 4.519 4.640 -0.001 0.000 0.200 503 D C 2.286 178.607 176.300 0.035 0.000 0.978 503 D CA 1.821 55.912 54.000 0.153 0.000 0.833 503 D CB -1.528 39.362 40.800 0.151 0.000 0.961 503 D HN 0.197 nan 8.370 nan 0.000 0.470 504 G N 0.842 109.657 108.800 0.025 0.000 2.421 504 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.216 504 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.216 504 G C 1.880 176.750 174.900 -0.051 0.000 1.171 504 G CA 1.293 46.388 45.100 -0.008 0.000 0.775 504 G HN 0.298 nan 8.290 nan 0.000 0.543 505 V N 1.011 120.870 119.914 -0.091 0.000 2.295 505 V HA -0.125 3.995 4.120 -0.001 0.000 0.246 505 V C 2.895 178.885 176.094 -0.172 0.000 1.049 505 V CA 1.331 63.543 62.300 -0.146 0.000 1.024 505 V CB -0.483 31.213 31.823 -0.212 0.000 0.648 505 V HN 0.324 nan 8.190 nan 0.000 0.447 506 L N -0.142 120.949 121.223 -0.221 0.000 2.079 506 L HA -0.267 4.073 4.340 -0.001 0.000 0.210 506 L C 2.583 179.396 176.870 -0.095 0.000 1.081 506 L CA 2.129 56.859 54.840 -0.183 0.000 0.752 506 L CB -0.479 41.492 42.059 -0.146 0.000 0.896 506 L HN 0.474 nan 8.230 nan 0.000 0.433 507 Q N -0.574 119.188 119.800 -0.063 0.000 2.472 507 Q HA -0.029 4.310 4.340 -0.001 0.000 0.208 507 Q C 1.227 177.203 176.000 -0.039 0.000 0.958 507 Q CA 0.894 56.675 55.803 -0.037 0.000 0.932 507 Q CB 0.386 29.112 28.738 -0.019 0.000 1.007 507 Q HN 0.513 nan 8.270 nan 0.000 0.508 508 G N 0.088 108.856 108.800 -0.052 0.000 2.367 508 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.181 508 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.181 508 G C -0.601 174.273 174.900 -0.044 0.000 1.000 508 G CA -0.315 44.758 45.100 -0.044 0.000 0.693 508 G HN 0.374 nan 8.290 nan 0.000 0.480 509 E N 1.437 121.609 120.200 -0.048 0.000 2.480 509 E HA 0.234 4.584 4.350 -0.001 0.000 0.258 509 E C 0.509 177.075 176.600 -0.056 0.000 0.984 509 E CA 0.103 56.475 56.400 -0.047 0.000 0.930 509 E CB 0.473 30.147 29.700 -0.043 0.000 0.936 509 E HN 0.325 nan 8.360 nan 0.000 0.466 510 R N 2.260 122.729 120.500 -0.050 0.000 2.442 510 R HA 0.087 4.426 4.340 -0.001 0.000 0.291 510 R C -0.123 176.141 176.300 -0.061 0.000 1.069 510 R CA -0.647 55.421 56.100 -0.052 0.000 1.022 510 R CB 0.313 30.585 30.300 -0.046 0.000 0.976 510 R HN 0.329 nan 8.270 nan 0.000 0.443 511 L N 4.651 125.836 121.223 -0.064 0.000 2.455 511 L HA 0.131 4.471 4.340 -0.001 0.000 0.272 511 L C -0.819 176.009 176.870 -0.070 0.000 1.174 511 L CA 0.652 55.451 54.840 -0.069 0.000 0.869 511 L CB 0.376 42.394 42.059 -0.069 0.000 1.130 511 L HN 0.464 nan 8.230 nan 0.000 0.474 512 L N 5.078 126.253 121.223 -0.079 0.000 2.317 512 L HA 0.580 4.919 4.340 -0.001 0.000 0.281 512 L C -0.098 176.701 176.870 -0.117 0.000 1.024 512 L CA -0.497 54.279 54.840 -0.106 0.000 0.810 512 L CB 1.687 43.672 42.059 -0.123 0.000 1.240 512 L HN 0.590 nan 8.230 nan 0.000 0.427 513 T N 3.011 117.477 114.554 -0.148 0.000 2.886 513 T HA 0.457 4.806 4.350 -0.001 0.000 0.292 513 T C -0.070 174.478 174.700 -0.254 0.000 1.012 513 T CA -0.763 61.241 62.100 -0.160 0.000 0.982 513 T CB 1.695 70.486 68.868 -0.128 0.000 1.018 513 T HN 0.269 nan 8.240 nan 0.000 0.451 514 M N 2.880 122.280 119.600 -0.334 0.000 2.249 514 M HA 0.184 4.663 4.480 -0.001 0.000 0.340 514 M C 1.197 177.288 176.300 -0.349 0.000 1.166 514 M CA -0.222 54.768 55.300 -0.515 0.000 1.115 514 M CB -0.052 31.987 32.600 -0.936 0.000 1.606 514 M HN 0.854 nan 8.290 nan 0.000 0.448 515 S N 1.588 117.088 115.700 -0.333 0.000 2.569 515 S HA 0.025 4.495 4.470 -0.001 0.000 0.274 515 S C 1.251 175.740 174.600 -0.186 0.000 1.353 515 S CA -0.717 57.346 58.200 -0.229 0.000 1.023 515 S CB 0.278 63.370 63.200 -0.179 0.000 0.876 515 S HN 0.783 nan 8.310 nan 0.000 0.540 516 C N 1.524 120.750 119.300 -0.123 0.000 2.425 516 C HA -0.046 4.413 4.460 -0.001 0.000 0.277 516 C C 3.161 178.077 174.990 -0.123 0.000 1.280 516 C CA 1.063 60.022 59.018 -0.097 0.000 1.744 516 C CB -1.885 25.863 27.740 0.015 0.000 1.989 516 C HN 0.998 nan 8.230 nan 0.000 0.491 517 S N 1.059 116.714 115.700 -0.074 0.000 2.374 517 S HA -0.188 4.282 4.470 -0.001 0.000 0.227 517 S C 1.407 175.992 174.600 -0.025 0.000 1.037 517 S CA 1.767 59.943 58.200 -0.040 0.000 1.024 517 S CB -0.361 62.831 63.200 -0.013 0.000 0.861 517 S HN 0.639 nan 8.310 nan 0.000 0.456 518 D N 0.915 121.277 120.400 -0.062 0.000 2.162 518 D HA 0.006 4.646 4.640 -0.001 0.000 0.203 518 D C 1.923 178.339 176.300 0.194 0.000 0.967 518 D CA 0.836 54.848 54.000 0.020 0.000 0.840 518 D CB -0.184 40.438 40.800 -0.296 0.000 0.972 518 D HN 0.364 nan 8.370 nan 0.000 0.482 519 K N 0.404 120.799 120.400 -0.008 0.000 2.097 519 K HA -0.028 4.291 4.320 -0.001 0.000 0.206 519 K C 2.259 178.340 176.600 -0.865 0.000 1.049 519 K CA 0.656 56.835 56.287 -0.181 0.000 0.933 519 K CB 0.003 32.379 32.500 -0.207 0.000 0.717 519 K HN 0.172 nan 8.250 nan 0.000 0.442 520 I N 0.935 121.069 120.570 -0.726 0.000 2.353 520 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 520 I C 2.506 178.602 176.117 -0.035 0.000 1.119 520 I CA 0.788 61.751 61.300 -0.562 0.000 1.417 520 I CB -0.357 37.523 38.000 -0.200 0.000 1.078 520 I HN 0.111 nan 8.210 nan 0.000 0.421 521 A N 1.084 123.951 122.820 0.079 0.000 1.902 521 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 521 A C 2.473 180.205 177.584 0.248 0.000 1.181 521 A CA 1.802 53.981 52.037 0.238 0.000 0.623 521 A CB -0.694 18.517 19.000 0.351 0.000 0.818 521 A HN 0.370 nan 8.150 nan 0.000 0.443 522 R N -1.119 119.523 120.500 0.235 0.000 2.096 522 R HA -0.213 4.126 4.340 -0.001 0.000 0.240 522 R C 1.842 178.309 176.300 0.279 0.000 1.139 522 R CA 2.178 58.382 56.100 0.173 0.000 0.952 522 R CB -0.416 29.930 30.300 0.076 0.000 0.854 522 R HN 0.687 nan 8.270 nan 0.000 0.436 523 W N 0.908 122.350 121.300 0.236 0.000 2.421 523 W HA -0.035 4.625 4.660 -0.001 0.000 0.270 523 W C 1.329 178.029 176.519 0.301 0.000 1.233 523 W CA 0.154 57.628 57.345 0.214 0.000 1.226 523 W CB -0.986 28.615 29.460 0.236 0.000 1.121 523 W HN 0.200 nan 8.180 nan 0.000 0.579 524 N N -0.105 118.902 118.700 0.512 0.000 2.521 524 N HA -0.012 4.727 4.740 -0.001 0.000 0.188 524 N C 1.402 177.137 175.510 0.374 0.000 1.146 524 N CA 0.526 53.853 53.050 0.460 0.000 0.893 524 N CB 0.346 39.039 38.487 0.344 0.000 0.975 524 N HN 0.042 nan 8.380 nan 0.000 0.451 525 V N -0.852 119.290 119.914 0.380 0.000 3.054 525 V HA 0.008 4.127 4.120 -0.001 0.000 0.227 525 V C 1.882 178.219 176.094 0.404 0.000 1.252 525 V CA 0.462 62.936 62.300 0.291 0.000 1.279 525 V CB 0.057 31.917 31.823 0.062 0.000 1.118 525 V HN 0.111 nan 8.190 nan 0.000 0.504 526 V N -0.567 119.467 119.914 0.200 0.000 3.541 526 V HA 0.635 4.754 4.120 -0.001 0.000 0.267 526 V C 0.892 177.108 176.094 0.203 0.000 1.213 526 V CA 0.544 62.883 62.300 0.066 0.000 1.149 526 V CB -0.939 30.584 31.823 -0.500 0.000 0.822 526 V HN 0.990 nan 8.190 nan 0.000 0.462 527 G N 1.220 110.042 108.800 0.036 0.000 2.746 527 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.685 527 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.685 527 G C 0.084 174.892 174.900 -0.153 0.000 1.350 527 G CA -0.142 44.699 45.100 -0.433 0.000 0.837 527 G HN 1.206 nan 8.290 nan 0.000 0.564 528 I N -1.848 118.493 120.570 -0.382 0.000 3.419 528 I HA 0.115 4.285 4.170 -0.001 0.000 0.286 528 I C 2.097 177.931 176.117 -0.473 0.000 1.268 528 I CA 1.310 62.270 61.300 -0.566 0.000 1.414 528 I CB 0.004 37.456 38.000 -0.913 0.000 1.074 528 I HN 0.584 nan 8.210 nan 0.000 0.457 529 Q N 3.008 122.617 119.800 -0.319 0.000 2.432 529 Q HA 0.212 4.551 4.340 -0.001 0.000 0.205 529 Q C 0.955 176.815 176.000 -0.234 0.000 0.945 529 Q CA 1.070 56.710 55.803 -0.272 0.000 0.924 529 Q CB -0.485 28.122 28.738 -0.219 0.000 1.016 529 Q HN 0.588 nan 8.270 nan 0.000 0.503 530 G N 1.020 109.711 108.800 -0.182 0.000 2.828 530 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.463 530 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.463 530 G C 0.519 174.902 174.900 -0.863 0.000 1.394 530 G CA 0.648 45.556 45.100 -0.321 0.000 0.862 530 G HN 0.581 nan 8.290 nan 0.000 0.540 531 S N -0.573 114.393 115.700 -1.224 0.000 2.345 531 S HA -0.011 4.458 4.470 -0.001 0.000 0.220 531 S C 2.516 176.716 174.600 -0.667 0.000 1.031 531 S CA 1.758 59.161 58.200 -1.328 0.000 0.996 531 S CB -0.382 62.264 63.200 -0.922 0.000 0.882 531 S HN 0.836 nan 8.310 nan 0.000 0.445 532 L N 0.814 121.720 121.223 -0.528 0.000 2.017 532 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 532 L C 2.729 179.531 176.870 -0.114 0.000 1.073 532 L CA 1.278 55.842 54.840 -0.459 0.000 0.745 532 L CB -0.626 41.078 42.059 -0.593 0.000 0.894 532 L HN 0.295 nan 8.230 nan 0.000 0.432 533 L N -0.315 120.863 121.223 -0.074 0.000 2.191 533 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 533 L C 2.780 179.583 176.870 -0.110 0.000 1.103 533 L CA 1.306 56.124 54.840 -0.038 0.000 0.769 533 L CB -0.378 41.576 42.059 -0.175 0.000 0.908 533 L HN 0.401 nan 8.230 nan 0.000 0.438 534 S N -0.412 115.179 115.700 -0.182 0.000 2.474 534 S HA -0.107 4.362 4.470 -0.001 0.000 0.235 534 S C 1.783 176.318 174.600 -0.108 0.000 0.997 534 S CA 0.586 58.718 58.200 -0.113 0.000 0.949 534 S CB -0.543 62.625 63.200 -0.054 0.000 0.766 534 S HN 0.428 nan 8.310 nan 0.000 0.517 535 I N -0.163 120.288 120.570 -0.199 0.000 2.493 535 I HA -0.065 4.105 4.170 -0.001 0.000 0.254 535 I C 1.569 177.567 176.117 -0.198 0.000 1.160 535 I CA 1.097 62.265 61.300 -0.220 0.000 1.445 535 I CB -0.256 37.604 38.000 -0.234 0.000 1.086 535 I HN 0.273 nan 8.210 nan 0.000 0.433 536 F N -0.073 119.902 119.950 0.041 0.000 2.383 536 F HA 0.175 4.701 4.527 -0.001 0.000 0.287 536 F C 0.921 176.684 175.800 -0.062 0.000 1.069 536 F CA -0.279 57.713 58.000 -0.013 0.000 1.402 536 F CB -0.676 38.303 39.000 -0.035 0.000 1.116 536 F HN -0.201 nan 8.300 nan 0.000 0.549 537 V N -2.225 117.728 119.914 0.066 0.000 3.001 537 V HA 0.535 4.655 4.120 -0.001 0.000 0.314 537 V C -0.331 175.747 176.094 -0.027 0.000 1.099 537 V CA -1.372 60.918 62.300 -0.017 0.000 0.989 537 V CB 1.812 33.573 31.823 -0.103 0.000 1.040 537 V HN 0.065 nan 8.190 nan 0.000 0.434 538 E N 2.028 122.220 120.200 -0.013 0.000 2.374 538 E HA 0.346 4.695 4.350 -0.001 0.000 0.260 538 E C -2.514 174.019 176.600 -0.112 0.000 1.101 538 E CA -1.705 54.655 56.400 -0.066 0.000 0.907 538 E CB 0.435 30.110 29.700 -0.042 0.000 1.014 538 E HN 0.605 nan 8.360 nan 0.000 0.427 539 P HA -0.022 nan 4.420 nan 0.000 0.264 539 P C -0.794 176.305 177.300 -0.336 0.000 1.183 539 P CA 0.797 63.666 63.100 -0.386 0.000 0.763 539 P CB 0.334 31.634 31.700 -0.666 0.000 0.807 540 I N 3.742 124.058 120.570 -0.423 0.000 2.474 540 I HA 0.375 4.544 4.170 -0.001 0.000 0.294 540 I C -0.359 175.432 176.117 -0.543 0.000 1.005 540 I CA -0.730 60.394 61.300 -0.293 0.000 1.113 540 I CB 1.202 39.105 38.000 -0.161 0.000 1.289 540 I HN 0.302 nan 8.210 nan 0.000 0.436 541 Y N 4.127 124.406 120.300 -0.035 0.000 2.524 541 Y HA 0.477 5.027 4.550 -0.001 0.000 0.344 541 Y C -0.252 175.650 175.900 0.004 0.000 1.012 541 Y CA -0.780 57.305 58.100 -0.025 0.000 1.068 541 Y CB 1.400 39.896 38.460 0.060 0.000 1.249 541 Y HN 0.244 nan 8.280 nan 0.000 0.468 542 F N 0.587 120.737 119.950 0.333 0.000 2.529 542 F HA 0.085 4.611 4.527 -0.001 0.000 0.365 542 F C 1.425 177.356 175.800 0.218 0.000 1.102 542 F CA 0.389 58.545 58.000 0.261 0.000 1.271 542 F CB 0.856 40.028 39.000 0.288 0.000 1.120 542 F HN 0.505 nan 8.300 nan 0.000 0.579 543 S N 0.467 116.369 115.700 0.337 0.000 2.470 543 S HA 0.065 4.534 4.470 -0.001 0.000 0.225 543 S C 0.160 174.946 174.600 0.310 0.000 1.006 543 S CA 0.344 58.689 58.200 0.242 0.000 0.934 543 S CB 0.029 63.311 63.200 0.137 0.000 0.778 543 S HN 0.530 nan 8.310 nan 0.000 0.517 544 S N 0.157 116.081 115.700 0.374 0.000 2.541 544 S HA 0.599 5.068 4.470 -0.001 0.000 0.271 544 S C -1.112 173.632 174.600 0.240 0.000 1.133 544 S CA -0.683 57.719 58.200 0.335 0.000 0.876 544 S CB 1.813 65.266 63.200 0.422 0.000 1.105 544 S HN 0.160 nan 8.310 nan 0.000 0.470 545 I N 2.726 123.415 120.570 0.198 0.000 2.439 545 I HA 0.405 4.574 4.170 -0.001 0.000 0.285 545 I C -1.275 174.923 176.117 0.135 0.000 1.021 545 I CA -0.590 60.788 61.300 0.130 0.000 1.091 545 I CB 1.283 39.380 38.000 0.162 0.000 1.242 545 I HN 0.388 nan 8.210 nan 0.000 0.439 546 I N 7.219 127.860 120.570 0.118 0.000 2.362 546 I HA 0.443 4.613 4.170 -0.001 0.000 0.289 546 I C -0.180 176.001 176.117 0.106 0.000 0.994 546 I CA -0.583 60.802 61.300 0.142 0.000 1.158 546 I CB 1.533 39.672 38.000 0.231 0.000 1.315 546 I HN 0.381 nan 8.210 nan 0.000 0.451 547 L N 4.722 125.997 121.223 0.086 0.000 2.317 547 L HA 0.519 4.858 4.340 -0.001 0.000 0.281 547 L C 1.326 178.255 176.870 0.098 0.000 1.024 547 L CA -0.450 54.410 54.840 0.033 0.000 0.810 547 L CB 1.834 43.979 42.059 0.144 0.000 1.240 547 L HN 0.741 nan 8.230 nan 0.000 0.427 548 G N 1.030 109.857 108.800 0.045 0.000 2.880 548 G HA2 0.128 4.088 3.960 -0.001 0.000 0.209 548 G HA3 0.128 4.088 3.960 -0.001 0.000 0.209 548 G C 0.350 175.315 174.900 0.108 0.000 1.157 548 G CA 0.602 45.819 45.100 0.195 0.000 0.779 548 G HN 0.630 nan 8.290 nan 0.000 0.539 549 S N -1.876 113.870 115.700 0.078 0.000 2.595 549 S HA 0.419 4.889 4.470 -0.001 0.000 0.270 549 S C 0.012 174.671 174.600 0.099 0.000 1.145 549 S CA -0.615 57.633 58.200 0.080 0.000 0.825 549 S CB 0.710 63.938 63.200 0.047 0.000 1.107 549 S HN 0.550 nan 8.310 nan 0.000 0.461 550 L N -0.327 120.957 121.223 0.103 0.000 3.839 550 L HA -0.196 4.143 4.340 -0.001 0.000 0.416 550 L C -0.222 176.739 176.870 0.151 0.000 1.195 550 L CA 0.526 55.428 54.840 0.103 0.000 0.946 550 L CB -1.791 40.300 42.059 0.055 0.000 1.891 550 L HN 0.840 nan 8.230 nan 0.000 0.963 551 Y N 1.658 122.003 120.300 0.074 0.000 2.465 551 Y HA 0.299 4.848 4.550 -0.001 0.000 0.331 551 Y C 0.542 176.522 175.900 0.134 0.000 1.102 551 Y CA 0.150 58.304 58.100 0.090 0.000 1.358 551 Y CB 0.353 38.851 38.460 0.063 0.000 1.213 551 Y HN 0.119 nan 8.280 nan 0.000 0.525 552 H N 5.365 124.064 119.070 -0.619 0.000 3.013 552 H HA 0.253 4.809 4.556 -0.001 0.000 0.326 552 H C 0.654 175.579 175.328 -0.671 0.000 0.973 552 H CA 0.033 55.793 56.048 -0.480 0.000 1.369 552 H CB 1.371 31.090 29.762 -0.071 0.000 1.598 552 H HN 0.956 nan 8.280 nan 0.000 0.518 553 G N 3.518 111.857 108.800 -0.767 0.000 2.440 553 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 553 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 553 G C 1.038 175.861 174.900 -0.129 0.000 1.154 553 G CA 0.772 45.626 45.100 -0.410 0.000 0.767 553 G HN 0.572 nan 8.290 nan 0.000 0.552 554 D N -0.170 120.208 120.400 -0.037 0.000 2.123 554 D HA -0.045 4.594 4.640 -0.001 0.000 0.200 554 D C 2.188 178.401 176.300 -0.145 0.000 0.976 554 D CA 0.731 54.682 54.000 -0.081 0.000 0.831 554 D CB -0.363 40.374 40.800 -0.105 0.000 0.974 554 D HN 0.300 nan 8.370 nan 0.000 0.469 555 H N 0.292 119.370 119.070 0.014 0.000 2.357 555 H HA -0.044 4.511 4.556 -0.001 0.000 0.301 555 H C 2.220 177.479 175.328 -0.116 0.000 1.082 555 H CA 0.488 56.441 56.048 -0.157 0.000 1.342 555 H CB -0.304 29.300 29.762 -0.263 0.000 1.389 555 H HN 0.095 nan 8.280 nan 0.000 0.511 556 L N 1.238 122.472 121.223 0.019 0.000 2.056 556 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 556 L C 2.624 179.435 176.870 -0.099 0.000 1.078 556 L CA 1.744 56.575 54.840 -0.015 0.000 0.749 556 L CB -0.710 41.344 42.059 -0.009 0.000 0.901 556 L HN 0.256 nan 8.230 nan 0.000 0.433 557 S N -0.679 114.921 115.700 -0.167 0.000 2.382 557 S HA -0.276 4.194 4.470 -0.001 0.000 0.228 557 S C 2.227 176.482 174.600 -0.575 0.000 1.027 557 S CA 1.185 59.119 58.200 -0.444 0.000 0.991 557 S CB -0.716 62.315 63.200 -0.282 0.000 0.823 557 S HN 0.566 nan 8.310 nan 0.000 0.469 558 R N 1.719 122.048 120.500 -0.286 0.000 2.070 558 R HA -0.042 4.297 4.340 -0.001 0.000 0.233 558 R C 2.519 178.735 176.300 -0.141 0.000 1.137 558 R CA 1.482 57.461 56.100 -0.202 0.000 0.945 558 R CB -0.950 29.269 30.300 -0.134 0.000 0.845 558 R HN 0.501 nan 8.270 nan 0.000 0.430 559 A N 0.870 123.639 122.820 -0.085 0.000 1.902 559 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 559 A C 2.153 179.751 177.584 0.023 0.000 1.181 559 A CA 1.524 53.560 52.037 -0.001 0.000 0.623 559 A CB -0.290 18.721 19.000 0.019 0.000 0.818 559 A HN 0.321 nan 8.150 nan 0.000 0.443 560 M N -2.192 117.382 119.600 -0.043 0.000 2.388 560 M HA 0.069 4.548 4.480 -0.001 0.000 0.265 560 M C 1.535 177.959 176.300 0.207 0.000 1.088 560 M CA 1.420 56.775 55.300 0.092 0.000 1.134 560 M CB -0.761 31.937 32.600 0.163 0.000 1.384 560 M HN 0.848 nan 8.290 nan 0.000 0.447 561 Y N -4.109 116.246 120.300 0.092 0.000 2.508 561 Y HA 0.264 4.814 4.550 -0.001 0.000 0.292 561 Y C 1.747 177.665 175.900 0.031 0.000 1.038 561 Y CA -0.364 57.773 58.100 0.062 0.000 0.969 561 Y CB -0.699 37.796 38.460 0.058 0.000 1.388 561 Y HN -0.019 nan 8.280 nan 0.000 0.570 562 Q N 2.762 122.478 119.800 -0.139 0.000 2.224 562 Q HA -0.071 4.268 4.340 -0.001 0.000 0.203 562 Q C 2.187 178.195 176.000 0.013 0.000 0.970 562 Q CA 2.335 58.152 55.803 0.023 0.000 0.865 562 Q CB -0.260 28.425 28.738 -0.089 0.000 0.922 562 Q HN 0.665 nan 8.270 nan 0.000 0.445 563 R N 0.363 120.858 120.500 -0.008 0.000 2.193 563 R HA -0.092 4.248 4.340 -0.001 0.000 0.229 563 R C 1.105 177.411 176.300 0.010 0.000 1.110 563 R CA 1.573 57.686 56.100 0.021 0.000 0.988 563 R CB -0.749 29.592 30.300 0.069 0.000 0.871 563 R HN 0.462 nan 8.270 nan 0.000 0.458 564 I N -0.553 120.004 120.570 -0.022 0.000 3.762 564 I HA 0.293 4.462 4.170 -0.001 0.000 0.333 564 I C 1.015 177.101 176.117 -0.052 0.000 1.566 564 I CA -0.380 60.854 61.300 -0.110 0.000 1.129 564 I CB 1.024 38.824 38.000 -0.334 0.000 1.218 564 I HN 0.034 nan 8.210 nan 0.000 0.456 565 S N 1.431 117.134 115.700 0.004 0.000 2.500 565 S HA -0.199 4.270 4.470 -0.001 0.000 0.239 565 S C 1.643 176.237 174.600 -0.009 0.000 0.989 565 S CA 1.240 59.450 58.200 0.016 0.000 0.951 565 S CB -0.767 62.459 63.200 0.043 0.000 0.759 565 S HN 0.779 nan 8.310 nan 0.000 0.523 566 N N 1.518 120.204 118.700 -0.022 0.000 2.521 566 N HA 0.040 4.779 4.740 -0.001 0.000 0.188 566 N C 0.464 175.951 175.510 -0.038 0.000 1.146 566 N CA -0.119 52.917 53.050 -0.024 0.000 0.893 566 N CB -0.652 37.825 38.487 -0.017 0.000 0.975 566 N HN 0.604 nan 8.380 nan 0.000 0.451 567 I N 1.480 122.015 120.570 -0.058 0.000 2.752 567 I HA -0.086 4.083 4.170 -0.001 0.000 0.287 567 I C 0.194 176.281 176.117 -0.049 0.000 1.188 567 I CA 0.117 61.374 61.300 -0.071 0.000 1.427 567 I CB 0.439 38.382 38.000 -0.095 0.000 1.365 567 I HN 0.319 nan 8.210 nan 0.000 0.585 568 E N 5.078 125.248 120.200 -0.050 0.000 2.446 568 E HA 0.310 4.659 4.350 -0.001 0.000 0.276 568 E C -1.161 175.412 176.600 -0.045 0.000 0.969 568 E CA -0.876 55.501 56.400 -0.039 0.000 0.800 568 E CB 1.050 30.734 29.700 -0.027 0.000 1.341 568 E HN 0.554 nan 8.360 nan 0.000 0.460 569 D N 0.577 120.956 120.400 -0.035 0.000 2.723 569 D HA -0.158 4.481 4.640 -0.001 0.000 0.236 569 D C -0.351 175.919 176.300 -0.050 0.000 1.138 569 D CA 0.716 54.695 54.000 -0.036 0.000 0.676 569 D CB -1.188 39.589 40.800 -0.039 0.000 1.069 569 D HN 0.395 nan 8.370 nan 0.000 0.430 570 L N 0.092 121.293 121.223 -0.038 0.000 2.461 570 L HA 0.217 4.556 4.340 -0.001 0.000 0.272 570 L C -1.208 175.658 176.870 -0.007 0.000 1.197 570 L CA -1.227 53.589 54.840 -0.040 0.000 0.836 570 L CB -0.005 42.065 42.059 0.018 0.000 1.105 570 L HN -0.146 nan 8.230 nan 0.000 0.477 571 P HA 0.179 nan 4.420 nan 0.000 0.274 571 P C -2.542 174.868 177.300 0.184 0.000 1.260 571 P CA -1.155 61.975 63.100 0.049 0.000 0.793 571 P CB -0.316 31.380 31.700 -0.008 0.000 1.048 572 P HA 0.081 nan 4.420 nan 0.000 0.265 572 P C 0.402 177.783 177.300 0.135 0.000 1.193 572 P CA 0.588 63.756 63.100 0.114 0.000 0.765 572 P CB 0.043 31.785 31.700 0.069 0.000 0.823 573 L N -1.373 119.883 121.223 0.055 0.000 4.982 573 L HA -0.278 4.061 4.340 -0.001 0.000 0.402 573 L C 0.120 176.936 176.870 -0.090 0.000 0.863 573 L CA 0.742 55.557 54.840 -0.042 0.000 1.876 573 L CB -1.923 40.062 42.059 -0.124 0.000 1.554 573 L HN 0.385 nan 8.230 nan 0.000 0.603 574 Y N 0.005 120.353 120.300 0.080 0.000 2.307 574 Y HA 0.576 5.126 4.550 -0.001 0.000 0.324 574 Y C 0.853 176.785 175.900 0.054 0.000 1.238 574 Y CA 0.804 58.981 58.100 0.128 0.000 1.280 574 Y CB 1.524 40.016 38.460 0.053 0.000 1.248 574 Y HN -0.053 nan 8.280 nan 0.000 0.508 575 T N 1.639 116.289 114.554 0.160 0.000 2.821 575 T HA 0.372 4.722 4.350 -0.001 0.000 0.306 575 T C -2.075 172.566 174.700 -0.098 0.000 1.313 575 T CA -0.809 61.260 62.100 -0.051 0.000 1.012 575 T CB 0.844 69.596 68.868 -0.194 0.000 1.298 575 T HN 0.427 nan 8.240 nan 0.000 0.502 576 L N 4.222 125.381 121.223 -0.108 0.000 2.312 576 L HA 0.541 4.880 4.340 -0.001 0.000 0.287 576 L C 0.080 176.825 176.870 -0.207 0.000 1.091 576 L CA -0.233 54.548 54.840 -0.099 0.000 0.846 576 L CB -0.347 41.682 42.059 -0.049 0.000 1.219 576 L HN 0.675 nan 8.230 nan 0.000 0.439 577 N N 4.015 122.550 118.700 -0.275 0.000 2.497 577 N HA 0.191 4.930 4.740 -0.001 0.000 0.271 577 N C -0.880 174.473 175.510 -0.263 0.000 1.142 577 N CA 0.166 53.010 53.050 -0.344 0.000 0.965 577 N CB 0.545 38.764 38.487 -0.448 0.000 1.077 577 N HN 0.486 nan 8.380 nan 0.000 0.462 578 K N 4.626 124.798 120.400 -0.381 0.000 2.624 578 K HA 0.317 4.636 4.320 -0.001 0.000 0.200 578 K C -2.486 173.950 176.600 -0.273 0.000 1.036 578 K CA -1.564 54.273 56.287 -0.749 0.000 1.029 578 K CB 1.541 33.416 32.500 -1.041 0.000 1.317 578 K HN 0.534 nan 8.250 nan 0.000 0.555 579 P HA 0.012 nan 4.420 nan 0.000 0.274 579 P C -0.142 177.263 177.300 0.176 0.000 1.246 579 P CA -0.814 62.371 63.100 0.141 0.000 0.795 579 P CB 0.675 32.534 31.700 0.265 0.000 1.006 580 L N 1.558 122.889 121.223 0.180 0.000 2.559 580 L HA 0.028 4.367 4.340 -0.001 0.000 0.282 580 L C -0.679 176.320 176.870 0.214 0.000 1.232 580 L CA 0.859 55.807 54.840 0.180 0.000 0.885 580 L CB -0.804 41.354 42.059 0.165 0.000 1.131 580 L HN 0.153 nan 8.230 nan 0.000 0.498 581 L N 5.290 126.650 121.223 0.227 0.000 2.341 581 L HA 0.684 5.023 4.340 -0.001 0.000 0.278 581 L C -0.055 176.908 176.870 0.155 0.000 1.005 581 L CA -0.376 54.625 54.840 0.268 0.000 0.818 581 L CB 1.671 43.959 42.059 0.380 0.000 1.259 581 L HN 0.726 nan 8.230 nan 0.000 0.418 582 S N 0.693 116.372 115.700 -0.035 0.000 2.550 582 S HA 0.779 5.249 4.470 -0.001 0.000 0.270 582 S C -0.361 173.809 174.600 -0.717 0.000 1.145 582 S CA -0.289 57.636 58.200 -0.459 0.000 0.852 582 S CB 1.859 64.941 63.200 -0.195 0.000 1.119 582 S HN 0.774 nan 8.310 nan 0.000 0.465 583 G N 1.505 109.645 108.800 -1.100 0.000 2.532 583 G HA2 0.691 4.650 3.960 -0.001 0.000 0.291 583 G HA3 0.691 4.650 3.960 -0.001 0.000 0.291 583 G C -0.183 174.601 174.900 -0.194 0.000 1.349 583 G CA -0.654 44.169 45.100 -0.463 0.000 1.038 583 G HN 1.017 nan 8.290 nan 0.000 0.518 584 I N -3.407 117.128 120.570 -0.058 0.000 2.910 584 I HA 0.534 4.703 4.170 -0.001 0.000 0.310 584 I C 0.966 177.070 176.117 -0.022 0.000 1.043 584 I CA -0.823 60.462 61.300 -0.026 0.000 1.053 584 I CB 2.108 40.124 38.000 0.026 0.000 1.242 584 I HN 0.341 nan 8.210 nan 0.000 0.452 585 S N 1.398 117.084 115.700 -0.023 0.000 2.383 585 S HA -0.100 4.369 4.470 -0.001 0.000 0.227 585 S C 0.834 175.432 174.600 -0.003 0.000 1.026 585 S CA 1.387 59.577 58.200 -0.016 0.000 0.981 585 S CB -0.525 62.664 63.200 -0.019 0.000 0.818 585 S HN 0.760 nan 8.310 nan 0.000 0.472 586 N N 1.178 119.878 118.700 -0.000 0.000 2.898 586 N HA 0.475 5.214 4.740 -0.001 0.000 0.245 586 N C -0.697 174.825 175.510 0.020 0.000 1.185 586 N CA -0.201 52.852 53.050 0.006 0.000 0.879 586 N CB 0.542 39.027 38.487 -0.003 0.000 1.157 586 N HN 0.218 nan 8.380 nan 0.000 0.503 587 A N 1.739 124.577 122.820 0.030 0.000 2.498 587 A HA 0.170 4.490 4.320 -0.001 0.000 0.239 587 A C 0.496 178.105 177.584 0.041 0.000 1.068 587 A CA -0.080 51.986 52.037 0.048 0.000 0.766 587 A CB 0.208 19.242 19.000 0.057 0.000 1.003 587 A HN 0.665 nan 8.150 nan 0.000 0.497 588 E N 0.094 120.324 120.200 0.050 0.000 2.391 588 E HA 0.432 4.782 4.350 -0.001 0.000 0.255 588 E C 0.269 176.885 176.600 0.026 0.000 1.187 588 E CA 0.084 56.505 56.400 0.035 0.000 0.941 588 E CB 0.813 30.538 29.700 0.042 0.000 1.010 588 E HN 0.776 nan 8.360 nan 0.000 0.458 589 A N 1.344 124.173 122.820 0.015 0.000 2.299 589 A HA 0.475 4.794 4.320 -0.001 0.000 0.332 589 A C -0.246 177.340 177.584 0.003 0.000 1.131 589 A CA -0.642 51.401 52.037 0.010 0.000 0.844 589 A CB 1.011 20.014 19.000 0.005 0.000 1.251 589 A HN 0.520 nan 8.150 nan 0.000 0.486 590 R N 0.856 121.356 120.500 -0.000 0.000 2.489 590 R HA 0.258 4.597 4.340 -0.001 0.000 0.287 590 R C -0.650 175.644 176.300 -0.010 0.000 1.053 590 R CA 0.556 56.651 56.100 -0.009 0.000 1.036 590 R CB 0.245 30.538 30.300 -0.011 0.000 0.966 590 R HN 0.639 nan 8.270 nan 0.000 0.432 591 Q N 5.249 125.041 119.800 -0.014 0.000 2.309 591 Q HA 0.443 4.782 4.340 -0.001 0.000 0.264 591 Q C -2.058 173.933 176.000 -0.015 0.000 1.008 591 Q CA -1.988 53.808 55.803 -0.012 0.000 0.853 591 Q CB 1.606 30.339 28.738 -0.008 0.000 1.314 591 Q HN 0.645 nan 8.270 nan 0.000 0.448 592 P HA 0.542 nan 4.420 nan 0.000 0.276 592 P C -0.328 176.965 177.300 -0.011 0.000 1.252 592 P CA -0.068 63.025 63.100 -0.012 0.000 0.802 592 P CB 0.848 32.542 31.700 -0.009 0.000 1.035 593 G N -0.311 108.482 108.800 -0.013 0.000 2.528 593 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.681 593 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.681 593 G C -1.054 173.834 174.900 -0.020 0.000 1.340 593 G CA -0.919 44.174 45.100 -0.010 0.000 0.855 593 G HN 0.722 nan 8.290 nan 0.000 0.649 594 K N 0.860 121.250 120.400 -0.017 0.000 2.451 594 K HA 0.526 4.845 4.320 -0.001 0.000 0.280 594 K C 1.017 177.590 176.600 -0.044 0.000 1.020 594 K CA 0.252 56.523 56.287 -0.026 0.000 1.008 594 K CB 0.518 33.009 32.500 -0.015 0.000 0.917 594 K HN 1.314 nan 8.250 nan 0.000 0.478 595 A N 6.184 128.964 122.820 -0.066 0.000 2.511 595 A HA 0.218 4.538 4.320 -0.001 0.000 0.242 595 A C -2.160 175.339 177.584 -0.141 0.000 1.069 595 A CA -1.146 50.827 52.037 -0.107 0.000 0.763 595 A CB -0.302 18.627 19.000 -0.118 0.000 1.001 595 A HN 0.560 nan 8.150 nan 0.000 0.498 596 P HA 0.023 nan 4.420 nan 0.000 0.266 596 P C 0.353 177.449 177.300 -0.340 0.000 1.195 596 P CA 0.196 63.049 63.100 -0.413 0.000 0.768 596 P CB 0.448 31.541 31.700 -1.011 0.000 0.838 597 N N 1.393 119.995 118.700 -0.163 0.000 2.461 597 N HA 0.019 4.759 4.740 -0.001 0.000 0.188 597 N C -0.152 175.372 175.510 0.024 0.000 1.134 597 N CA 0.040 53.065 53.050 -0.042 0.000 0.878 597 N CB -0.347 38.165 38.487 0.042 0.000 0.972 597 N HN 0.348 nan 8.380 nan 0.000 0.456 598 F N -1.885 118.088 119.950 0.038 0.000 2.557 598 F HA 0.739 5.266 4.527 -0.001 0.000 0.336 598 F C 0.124 175.958 175.800 0.056 0.000 1.058 598 F CA -1.519 56.508 58.000 0.045 0.000 0.988 598 F CB 0.830 39.868 39.000 0.064 0.000 1.275 598 F HN -0.239 nan 8.300 nan 0.000 0.488 599 S N 1.022 116.915 115.700 0.322 0.000 2.614 599 S HA 0.678 5.147 4.470 -0.001 0.000 0.288 599 S C -1.523 173.247 174.600 0.284 0.000 1.137 599 S CA -0.551 57.781 58.200 0.220 0.000 0.992 599 S CB 1.242 64.527 63.200 0.142 0.000 1.026 599 S HN 0.689 nan 8.310 nan 0.000 0.486 600 V N 4.963 125.058 119.914 0.301 0.000 2.539 600 V HA 0.586 4.705 4.120 -0.001 0.000 0.292 600 V C -0.089 176.151 176.094 0.243 0.000 1.045 600 V CA -0.589 61.879 62.300 0.280 0.000 0.945 600 V CB 1.363 33.430 31.823 0.406 0.000 0.993 600 V HN 0.984 nan 8.190 nan 0.000 0.464 601 N N 2.420 121.260 118.700 0.232 0.000 2.284 601 N HA 0.678 5.417 4.740 -0.001 0.000 0.289 601 N C -1.573 174.141 175.510 0.341 0.000 1.179 601 N CA -0.873 52.329 53.050 0.254 0.000 0.774 601 N CB 1.908 40.507 38.487 0.187 0.000 1.548 601 N HN 0.705 nan 8.380 nan 0.000 0.473 602 W N 0.792 122.163 121.300 0.118 0.000 3.479 602 W HA 0.587 5.246 4.660 -0.001 0.000 0.304 602 W C -1.941 174.638 176.519 0.100 0.000 1.243 602 W CA -0.260 57.147 57.345 0.102 0.000 1.202 602 W CB 1.875 31.398 29.460 0.104 0.000 1.346 602 W HN 0.602 nan 8.180 nan 0.000 0.539 603 T N 4.264 118.353 114.554 -0.776 0.000 2.863 603 T HA 0.329 4.678 4.350 -0.001 0.000 0.285 603 T C -0.681 173.048 174.700 -1.617 0.000 1.009 603 T CA -0.573 61.016 62.100 -0.853 0.000 0.989 603 T CB 1.740 70.413 68.868 -0.325 0.000 1.004 603 T HN 0.491 nan 8.240 nan 0.000 0.455 604 V N 3.331 122.413 119.914 -1.387 0.000 2.681 604 V HA 0.299 4.418 4.120 -0.001 0.000 0.306 604 V C 1.401 177.289 176.094 -0.343 0.000 1.077 604 V CA 2.557 64.353 62.300 -0.840 0.000 1.224 604 V CB 0.045 31.696 31.823 -0.286 0.000 0.879 604 V HN 1.277 nan 8.190 nan 0.000 0.494 605 G N 4.466 113.204 108.800 -0.104 0.000 2.284 605 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.230 605 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.230 605 G C -0.023 174.882 174.900 0.010 0.000 1.021 605 G CA 0.162 45.262 45.100 -0.001 0.000 0.619 605 G HN 0.785 nan 8.290 nan 0.000 0.510 606 D N 1.055 121.390 120.400 -0.108 0.000 2.389 606 D HA 0.530 5.170 4.640 -0.001 0.000 0.247 606 D C 1.501 177.980 176.300 0.299 0.000 1.128 606 D CA 0.516 54.535 54.000 0.032 0.000 0.884 606 D CB 1.462 42.192 40.800 -0.116 0.000 1.194 606 D HN 0.111 nan 8.370 nan 0.000 0.441 607 S N 0.538 116.361 115.700 0.205 0.000 2.382 607 S HA 0.044 4.514 4.470 -0.001 0.000 0.228 607 S C 0.770 175.500 174.600 0.216 0.000 1.027 607 S CA 1.070 59.385 58.200 0.191 0.000 0.991 607 S CB 0.165 63.431 63.200 0.111 0.000 0.823 607 S HN 0.685 nan 8.310 nan 0.000 0.469 608 A N 0.194 123.169 122.820 0.259 0.000 2.602 608 A HA 0.679 4.998 4.320 -0.001 0.000 0.290 608 A C -0.464 177.296 177.584 0.293 0.000 1.114 608 A CA -1.077 51.078 52.037 0.195 0.000 0.683 608 A CB 0.459 19.516 19.000 0.096 0.000 1.281 608 A HN 0.333 nan 8.150 nan 0.000 0.416 609 I N -1.407 119.272 120.570 0.182 0.000 2.938 609 I HA 0.498 4.668 4.170 -0.001 0.000 0.285 609 I C 0.149 176.335 176.117 0.115 0.000 1.182 609 I CA -0.091 61.326 61.300 0.195 0.000 1.388 609 I CB 0.588 38.657 38.000 0.115 0.000 1.390 609 I HN 0.757 nan 8.210 nan 0.000 0.600 610 E N 3.671 123.940 120.200 0.115 0.000 2.199 610 E HA 0.555 4.904 4.350 -0.001 0.000 0.269 610 E C -1.694 174.916 176.600 0.016 0.000 0.899 610 E CA -0.877 55.554 56.400 0.050 0.000 0.772 610 E CB 2.153 31.900 29.700 0.077 0.000 1.155 610 E HN 0.584 nan 8.360 nan 0.000 0.408 611 V N 5.826 125.697 119.914 -0.071 0.000 2.409 611 V HA 0.367 4.486 4.120 -0.001 0.000 0.291 611 V C -0.339 175.745 176.094 -0.016 0.000 1.020 611 V CA -0.786 61.451 62.300 -0.106 0.000 0.848 611 V CB 1.243 32.801 31.823 -0.442 0.000 0.990 611 V HN 0.618 nan 8.190 nan 0.000 0.430 612 I N 3.953 124.568 120.570 0.075 0.000 2.441 612 I HA 0.372 4.541 4.170 -0.001 0.000 0.295 612 I C 0.181 176.372 176.117 0.122 0.000 0.994 612 I CA -0.663 60.687 61.300 0.082 0.000 1.144 612 I CB 1.819 39.873 38.000 0.089 0.000 1.314 612 I HN 0.569 nan 8.210 nan 0.000 0.445 613 N N 4.461 123.208 118.700 0.078 0.000 2.420 613 N HA 0.148 4.887 4.740 -0.001 0.000 0.262 613 N C 0.793 176.323 175.510 0.033 0.000 1.144 613 N CA 0.129 53.220 53.050 0.069 0.000 0.952 613 N CB 1.560 40.054 38.487 0.012 0.000 1.081 613 N HN 0.735 nan 8.380 nan 0.000 0.480 614 A N 3.442 126.289 122.820 0.045 0.000 1.972 614 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 614 A C 1.946 179.517 177.584 -0.022 0.000 1.169 614 A CA 1.718 53.771 52.037 0.027 0.000 0.635 614 A CB -0.510 18.509 19.000 0.031 0.000 0.810 614 A HN 0.722 nan 8.150 nan 0.000 0.446 615 T N -0.217 114.292 114.554 -0.075 0.000 2.812 615 T HA -0.100 4.249 4.350 -0.001 0.000 0.264 615 T C 2.107 176.617 174.700 -0.316 0.000 1.042 615 T CA 2.040 64.041 62.100 -0.164 0.000 1.140 615 T CB -0.396 68.357 68.868 -0.192 0.000 0.870 615 T HN 0.811 nan 8.240 nan 0.000 0.445 616 T N -1.474 112.877 114.554 -0.340 0.000 3.051 616 T HA 0.367 4.717 4.350 -0.001 0.000 0.255 616 T C 1.896 176.559 174.700 -0.061 0.000 1.085 616 T CA 0.884 62.765 62.100 -0.366 0.000 1.109 616 T CB -0.157 68.532 68.868 -0.298 0.000 0.921 616 T HN 0.489 nan 8.240 nan 0.000 0.488 617 G N 1.432 110.216 108.800 -0.027 0.000 2.155 617 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.257 617 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.257 617 G C -0.048 174.875 174.900 0.038 0.000 0.983 617 G CA 0.584 45.702 45.100 0.031 0.000 0.676 617 G HN 0.717 nan 8.290 nan 0.000 0.528 618 K N 0.059 120.472 120.400 0.022 0.000 2.378 618 K HA 0.507 4.826 4.320 -0.001 0.000 0.244 618 K C -0.109 176.505 176.600 0.023 0.000 1.039 618 K CA -0.548 55.755 56.287 0.028 0.000 0.863 618 K CB 1.337 33.856 32.500 0.032 0.000 1.326 618 K HN 0.177 nan 8.250 nan 0.000 0.460 619 D N 0.380 120.793 120.400 0.021 0.000 2.393 619 D HA -0.093 4.546 4.640 -0.001 0.000 0.246 619 D C 0.841 177.146 176.300 0.008 0.000 1.275 619 D CA 0.040 54.047 54.000 0.012 0.000 0.979 619 D CB 0.513 41.317 40.800 0.006 0.000 1.101 619 D HN 0.566 nan 8.370 nan 0.000 0.505 620 E N 0.142 120.342 120.200 0.000 0.000 2.333 620 E HA -0.140 4.210 4.350 -0.001 0.000 0.198 620 E C 1.609 178.215 176.600 0.010 0.000 1.007 620 E CA 0.757 57.160 56.400 0.005 0.000 0.845 620 E CB -0.423 29.277 29.700 0.000 0.000 0.766 620 E HN 0.545 nan 8.360 nan 0.000 0.507 621 L N 0.189 121.418 121.223 0.010 0.000 2.628 621 L HA 0.276 4.615 4.340 -0.001 0.000 0.229 621 L C 1.153 178.033 176.870 0.018 0.000 1.137 621 L CA 0.249 55.098 54.840 0.013 0.000 0.909 621 L CB -0.072 41.994 42.059 0.011 0.000 1.137 621 L HN 0.281 nan 8.230 nan 0.000 0.470 622 G N 1.052 109.864 108.800 0.021 0.000 2.143 622 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.248 622 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.248 622 G C 0.321 175.233 174.900 0.019 0.000 0.991 622 G CA -0.059 45.058 45.100 0.028 0.000 0.689 622 G HN 0.394 nan 8.290 nan 0.000 0.522 623 R N 0.229 120.738 120.500 0.015 0.000 2.459 623 R HA 0.637 4.977 4.340 -0.001 0.000 0.281 623 R C 0.836 177.143 176.300 0.013 0.000 1.050 623 R CA 0.069 56.175 56.100 0.010 0.000 1.055 623 R CB 0.927 31.234 30.300 0.011 0.000 1.045 623 R HN 0.483 nan 8.270 nan 0.000 0.495 624 A N 1.776 124.600 122.820 0.006 0.000 2.425 624 A HA 0.107 4.426 4.320 -0.001 0.000 0.249 624 A C 0.333 177.937 177.584 0.033 0.000 1.084 624 A CA -0.096 51.948 52.037 0.012 0.000 0.781 624 A CB 0.696 19.689 19.000 -0.011 0.000 1.019 624 A HN 0.648 nan 8.150 nan 0.000 0.490 625 S N 0.412 116.138 115.700 0.044 0.000 2.572 625 S HA 0.113 4.582 4.470 -0.001 0.000 0.279 625 S C 1.662 176.302 174.600 0.067 0.000 1.341 625 S CA 0.041 58.276 58.200 0.058 0.000 1.043 625 S CB 0.332 63.574 63.200 0.070 0.000 0.887 625 S HN 0.748 nan 8.310 nan 0.000 0.516 626 R N 3.450 123.991 120.500 0.068 0.000 2.249 626 R HA -0.032 4.307 4.340 -0.001 0.000 0.230 626 R C 1.197 177.548 176.300 0.086 0.000 1.121 626 R CA 1.335 57.477 56.100 0.071 0.000 0.997 626 R CB -0.601 29.735 30.300 0.061 0.000 0.867 626 R HN 0.666 nan 8.270 nan 0.000 0.465 627 L N 1.567 122.847 121.223 0.094 0.000 2.567 627 L HA 0.160 4.500 4.340 -0.001 0.000 0.225 627 L C 1.208 178.148 176.870 0.117 0.000 1.119 627 L CA -0.543 54.364 54.840 0.112 0.000 0.871 627 L CB -0.066 42.062 42.059 0.115 0.000 1.036 627 L HN 0.302 nan 8.230 nan 0.000 0.459 628 C N -0.734 118.626 119.300 0.099 0.000 2.700 628 C HA 0.117 4.576 4.460 -0.001 0.000 0.397 628 C C 1.974 177.022 174.990 0.097 0.000 1.301 628 C CA -0.910 58.161 59.018 0.088 0.000 2.219 628 C CB 0.898 28.671 27.740 0.054 0.000 2.699 628 C HN 0.432 nan 8.230 nan 0.000 0.669 629 K N 0.121 120.565 120.400 0.073 0.000 2.077 629 K HA -0.257 4.062 4.320 -0.001 0.000 0.213 629 K C 2.313 178.920 176.600 0.011 0.000 1.051 629 K CA 2.510 58.809 56.287 0.021 0.000 0.929 629 K CB -0.530 31.914 32.500 -0.092 0.000 0.715 629 K HN 0.883 nan 8.250 nan 0.000 0.451 630 H N 0.350 119.350 119.070 -0.117 0.000 2.321 630 H HA -0.088 4.468 4.556 -0.001 0.000 0.300 630 H C 1.925 177.312 175.328 0.098 0.000 1.087 630 H CA 1.793 57.830 56.048 -0.018 0.000 1.319 630 H CB 0.081 29.720 29.762 -0.205 0.000 1.379 630 H HN 0.253 nan 8.280 nan 0.000 0.501 631 A N 1.276 124.149 122.820 0.089 0.000 1.898 631 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 631 A C 2.866 180.464 177.584 0.024 0.000 1.181 631 A CA 1.153 53.218 52.037 0.046 0.000 0.620 631 A CB -0.798 18.255 19.000 0.088 0.000 0.819 631 A HN 0.420 nan 8.150 nan 0.000 0.442 632 L N -2.135 119.149 121.223 0.101 0.000 2.046 632 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 632 L C 2.610 179.576 176.870 0.161 0.000 1.077 632 L CA 1.528 56.451 54.840 0.139 0.000 0.747 632 L CB -0.656 41.569 42.059 0.276 0.000 0.896 632 L HN 0.514 nan 8.230 nan 0.000 0.432 633 Y N 0.297 120.645 120.300 0.079 0.000 2.224 633 Y HA -0.277 4.273 4.550 -0.001 0.000 0.289 633 Y C 2.674 178.608 175.900 0.056 0.000 1.146 633 Y CA 0.818 58.997 58.100 0.131 0.000 1.182 633 Y CB -0.743 37.802 38.460 0.141 0.000 0.983 633 Y HN 0.181 nan 8.280 nan 0.000 0.524 634 C N 0.368 119.617 119.300 -0.084 0.000 2.413 634 C HA -0.199 4.260 4.460 -0.001 0.000 0.276 634 C C 2.791 177.693 174.990 -0.146 0.000 1.236 634 C CA 1.110 60.020 59.018 -0.180 0.000 1.735 634 C CB -0.941 26.685 27.740 -0.191 0.000 2.031 634 C HN 0.461 nan 8.230 nan 0.000 0.474 635 R N -0.617 119.757 120.500 -0.209 0.000 2.081 635 R HA -0.173 4.167 4.340 -0.001 0.000 0.235 635 R C 1.946 177.989 176.300 -0.429 0.000 1.131 635 R CA 1.577 57.437 56.100 -0.401 0.000 0.960 635 R CB -1.145 28.731 30.300 -0.705 0.000 0.856 635 R HN 0.815 nan 8.270 nan 0.000 0.436 636 W N 1.100 122.090 121.300 -0.517 0.000 2.358 636 W HA -0.207 4.452 4.660 -0.001 0.000 0.303 636 W C 2.210 178.801 176.519 0.121 0.000 1.208 636 W CA 1.506 58.848 57.345 -0.006 0.000 1.274 636 W CB -0.251 29.363 29.460 0.255 0.000 1.138 636 W HN 0.001 nan 8.180 nan 0.000 0.515 637 M N 0.751 120.481 119.600 0.216 0.000 2.159 637 M HA -0.120 4.359 4.480 -0.001 0.000 0.263 637 M C 2.281 178.530 176.300 -0.084 0.000 1.063 637 M CA 1.785 57.110 55.300 0.041 0.000 1.110 637 M CB -0.755 31.791 32.600 -0.089 0.000 1.374 637 M HN 0.030 nan 8.290 nan 0.000 0.411 638 R N -0.818 119.613 120.500 -0.115 0.000 2.081 638 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 638 R C 1.814 177.998 176.300 -0.193 0.000 1.131 638 R CA 1.815 57.835 56.100 -0.132 0.000 0.960 638 R CB -0.369 29.855 30.300 -0.127 0.000 0.856 638 R HN 0.336 nan 8.270 nan 0.000 0.436 639 V N 0.592 120.343 119.914 -0.271 0.000 2.358 639 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 639 V C 2.466 178.233 176.094 -0.546 0.000 1.047 639 V CA 1.954 63.972 62.300 -0.470 0.000 1.035 639 V CB -0.877 30.546 31.823 -0.667 0.000 0.658 639 V HN 0.510 nan 8.190 nan 0.000 0.452 640 H N 1.061 119.808 119.070 -0.539 0.000 2.387 640 H HA -0.158 4.398 4.556 -0.001 0.000 0.299 640 H C 2.210 177.395 175.328 -0.238 0.000 1.099 640 H CA 1.893 57.698 56.048 -0.405 0.000 1.315 640 H CB -0.254 29.133 29.762 -0.626 0.000 1.380 640 H HN 0.453 nan 8.280 nan 0.000 0.513 641 G N 0.165 108.881 108.800 -0.139 0.000 2.679 641 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.212 641 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.212 641 G C 1.629 176.427 174.900 -0.171 0.000 1.137 641 G CA 0.058 45.089 45.100 -0.115 0.000 0.787 641 G HN 0.261 nan 8.290 nan 0.000 0.534 642 K N -0.225 120.036 120.400 -0.232 0.000 2.367 642 K HA 0.202 4.521 4.320 -0.001 0.000 0.195 642 K C 0.324 176.799 176.600 -0.208 0.000 1.060 642 K CA 0.029 56.194 56.287 -0.202 0.000 1.022 642 K CB 1.072 33.444 32.500 -0.213 0.000 0.894 642 K HN 0.156 nan 8.250 nan 0.000 0.540 643 V N 4.848 124.594 119.914 -0.279 0.000 2.385 643 V HA 0.173 4.292 4.120 -0.001 0.000 0.269 643 V C -2.322 173.643 176.094 -0.214 0.000 1.043 643 V CA -1.900 60.271 62.300 -0.215 0.000 0.906 643 V CB 0.779 32.470 31.823 -0.220 0.000 0.995 643 V HN 0.017 nan 8.190 nan 0.000 0.467 644 P HA 0.074 nan 4.420 nan 0.000 0.264 644 P C 1.021 178.158 177.300 -0.272 0.000 1.183 644 P CA 0.353 63.327 63.100 -0.210 0.000 0.763 644 P CB 0.577 32.102 31.700 -0.291 0.000 0.807 645 S N 2.217 117.839 115.700 -0.130 0.000 2.392 645 S HA -0.248 4.221 4.470 -0.001 0.000 0.232 645 S C 1.533 176.093 174.600 -0.067 0.000 1.041 645 S CA 2.031 60.187 58.200 -0.073 0.000 1.026 645 S CB -1.136 62.071 63.200 0.011 0.000 0.845 645 S HN 0.771 nan 8.310 nan 0.000 0.465 646 H N 0.194 119.244 119.070 -0.033 0.000 2.546 646 H HA 0.225 4.781 4.556 -0.001 0.000 0.277 646 H C 1.395 176.687 175.328 -0.060 0.000 1.004 646 H CA 0.717 56.744 56.048 -0.036 0.000 1.231 646 H CB -0.339 29.405 29.762 -0.030 0.000 1.382 646 H HN 0.319 nan 8.280 nan 0.000 0.580 647 L N 0.534 121.463 121.223 -0.490 0.000 2.585 647 L HA 0.229 4.568 4.340 -0.001 0.000 0.226 647 L C 0.229 176.931 176.870 -0.281 0.000 1.113 647 L CA -0.231 54.370 54.840 -0.397 0.000 0.876 647 L CB 0.163 41.940 42.059 -0.469 0.000 1.072 647 L HN 0.210 nan 8.230 nan 0.000 0.468 648 L N 0.023 121.158 121.223 -0.147 0.000 2.439 648 L HA 0.092 4.431 4.340 -0.001 0.000 0.269 648 L C 1.529 178.361 176.870 -0.062 0.000 1.179 648 L CA 0.012 54.830 54.840 -0.037 0.000 0.828 648 L CB 0.673 42.753 42.059 0.034 0.000 1.106 648 L HN 0.145 nan 8.230 nan 0.000 0.467 649 R N 0.371 120.842 120.500 -0.048 0.000 2.153 649 R HA 0.070 4.409 4.340 -0.001 0.000 0.218 649 R C -0.064 176.222 176.300 -0.022 0.000 1.072 649 R CA 0.470 56.539 56.100 -0.052 0.000 0.990 649 R CB 0.134 30.403 30.300 -0.052 0.000 0.889 649 R HN 0.554 nan 8.270 nan 0.000 0.452 650 S N 0.368 116.062 115.700 -0.010 0.000 2.538 650 S HA 0.219 4.688 4.470 -0.001 0.000 0.288 650 S C -0.853 173.766 174.600 0.032 0.000 1.108 650 S CA -0.890 57.312 58.200 0.003 0.000 0.971 650 S CB 2.754 65.948 63.200 -0.010 0.000 1.041 650 S HN 0.065 nan 8.310 nan 0.000 0.483 651 K N 2.306 122.725 120.400 0.032 0.000 2.412 651 K HA 0.359 4.679 4.320 -0.001 0.000 0.281 651 K C -0.922 175.727 176.600 0.081 0.000 1.027 651 K CA 0.174 56.495 56.287 0.056 0.000 0.989 651 K CB 0.177 32.700 32.500 0.039 0.000 0.935 651 K HN 0.664 nan 8.250 nan 0.000 0.475 652 I N 4.768 125.426 120.570 0.145 0.000 2.598 652 I HA 0.009 4.178 4.170 -0.001 0.000 0.277 652 I C 0.632 176.897 176.117 0.247 0.000 1.179 652 I CA -0.121 61.283 61.300 0.173 0.000 1.081 652 I CB 1.201 39.323 38.000 0.202 0.000 1.272 652 I HN 0.895 nan 8.210 nan 0.000 0.471 653 T N 2.351 116.999 114.554 0.157 0.000 2.732 653 T HA 0.006 4.356 4.350 -0.001 0.000 0.261 653 T C 0.962 175.762 174.700 0.166 0.000 1.040 653 T CA 0.734 62.929 62.100 0.157 0.000 1.145 653 T CB -0.005 68.918 68.868 0.093 0.000 0.866 653 T HN 0.468 nan 8.240 nan 0.000 0.427 654 K N 2.606 123.067 120.400 0.101 0.000 2.753 654 K HA 0.315 4.634 4.320 -0.001 0.000 0.185 654 K C -2.914 173.708 176.600 0.036 0.000 1.071 654 K CA -2.032 54.297 56.287 0.070 0.000 0.999 654 K CB 1.183 33.717 32.500 0.057 0.000 1.244 654 K HN 0.214 nan 8.250 nan 0.000 0.594 655 P HA 0.037 nan 4.420 nan 0.000 0.264 655 P C -0.694 176.642 177.300 0.059 0.000 1.193 655 P CA 0.156 63.275 63.100 0.031 0.000 0.763 655 P CB 1.136 32.888 31.700 0.088 0.000 0.810 656 N N 2.163 120.910 118.700 0.080 0.000 3.379 656 N HA 0.023 4.762 4.740 -0.001 0.000 0.197 656 N C -0.693 174.901 175.510 0.139 0.000 1.350 656 N CA 0.144 53.248 53.050 0.090 0.000 1.140 656 N CB 0.028 38.544 38.487 0.049 0.000 1.164 656 N HN 0.056 nan 8.380 nan 0.000 0.627 657 V N 3.154 123.094 119.914 0.043 0.000 2.572 657 V HA 0.046 4.165 4.120 -0.001 0.000 0.291 657 V C 1.157 177.145 176.094 -0.176 0.000 1.039 657 V CA -0.005 62.276 62.300 -0.030 0.000 1.055 657 V CB 0.478 32.280 31.823 -0.034 0.000 0.969 657 V HN 0.459 nan 8.190 nan 0.000 0.482 658 Y N 4.633 124.553 120.300 -0.633 0.000 2.069 658 Y HA -0.318 4.231 4.550 -0.001 0.000 0.278 658 Y C 2.490 177.982 175.900 -0.679 0.000 1.175 658 Y CA 2.650 60.063 58.100 -1.144 0.000 1.134 658 Y CB -0.443 37.028 38.460 -1.647 0.000 0.965 658 Y HN 0.861 nan 8.280 nan 0.000 0.498 659 H N 0.204 118.995 119.070 -0.464 0.000 2.321 659 H HA -0.174 4.381 4.556 -0.001 0.000 0.295 659 H C 1.842 176.965 175.328 -0.341 0.000 1.102 659 H CA 2.132 57.965 56.048 -0.359 0.000 1.266 659 H CB 0.111 29.766 29.762 -0.178 0.000 1.363 659 H HN 0.447 nan 8.280 nan 0.000 0.492 660 E N 0.250 120.339 120.200 -0.184 0.000 2.106 660 E HA -0.079 4.271 4.350 -0.001 0.000 0.192 660 E C 2.478 178.901 176.600 -0.294 0.000 0.984 660 E CA 0.743 57.032 56.400 -0.185 0.000 0.806 660 E CB -0.175 29.487 29.700 -0.064 0.000 0.750 660 E HN 0.415 nan 8.360 nan 0.000 0.458 661 S N 1.242 116.705 115.700 -0.395 0.000 2.368 661 S HA -0.107 4.362 4.470 -0.001 0.000 0.225 661 S C 1.853 176.101 174.600 -0.586 0.000 1.030 661 S CA 0.992 58.899 58.200 -0.489 0.000 0.999 661 S CB -0.062 62.760 63.200 -0.630 0.000 0.844 661 S HN 0.234 nan 8.310 nan 0.000 0.459 662 K N 1.012 120.987 120.400 -0.707 0.000 2.057 662 K HA 0.008 4.327 4.320 -0.001 0.000 0.207 662 K C 1.896 178.232 176.600 -0.440 0.000 1.049 662 K CA 0.996 56.901 56.287 -0.637 0.000 0.931 662 K CB -0.375 31.711 32.500 -0.691 0.000 0.714 662 K HN 0.308 nan 8.250 nan 0.000 0.440 663 L N 0.385 121.356 121.223 -0.419 0.000 2.275 663 L HA -0.122 4.217 4.340 -0.001 0.000 0.215 663 L C 2.410 179.161 176.870 -0.198 0.000 1.119 663 L CA 0.574 55.238 54.840 -0.292 0.000 0.790 663 L CB -0.495 41.392 42.059 -0.286 0.000 0.919 663 L HN 0.196 nan 8.230 nan 0.000 0.443 664 A N 0.392 123.090 122.820 -0.203 0.000 2.070 664 A HA 0.010 4.329 4.320 -0.001 0.000 0.220 664 A C 1.731 179.250 177.584 -0.109 0.000 1.159 664 A CA 1.027 52.987 52.037 -0.128 0.000 0.656 664 A CB -0.473 18.467 19.000 -0.099 0.000 0.800 664 A HN 0.314 nan 8.150 nan 0.000 0.453 665 A N 0.325 123.052 122.820 -0.155 0.000 3.030 665 A HA 0.298 4.617 4.320 -0.001 0.000 0.273 665 A C 1.218 178.776 177.584 -0.043 0.000 1.841 665 A CA -0.009 51.964 52.037 -0.107 0.000 1.479 665 A CB -0.495 18.390 19.000 -0.192 0.000 1.048 665 A HN 0.530 nan 8.150 nan 0.000 0.612 666 K N 0.449 120.825 120.400 -0.039 0.000 2.026 666 K HA -0.175 4.144 4.320 -0.001 0.000 0.208 666 K C 1.477 178.053 176.600 -0.041 0.000 1.048 666 K CA 1.907 58.167 56.287 -0.044 0.000 0.929 666 K CB 0.026 32.503 32.500 -0.038 0.000 0.713 666 K HN 0.761 nan 8.250 nan 0.000 0.439 667 E N -0.086 120.115 120.200 0.002 0.000 2.110 667 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 667 E C 1.889 178.412 176.600 -0.129 0.000 0.988 667 E CA 1.068 57.463 56.400 -0.008 0.000 0.804 667 E CB -0.152 29.621 29.700 0.121 0.000 0.745 667 E HN 0.334 nan 8.360 nan 0.000 0.458 668 Y N 1.893 122.107 120.300 -0.145 0.000 2.181 668 Y HA -0.254 4.295 4.550 -0.001 0.000 0.288 668 Y C 2.367 178.066 175.900 -0.334 0.000 1.146 668 Y CA 1.488 59.442 58.100 -0.244 0.000 1.164 668 Y CB 0.144 38.554 38.460 -0.083 0.000 0.982 668 Y HN -0.050 nan 8.280 nan 0.000 0.515 669 Q N 0.229 119.994 119.800 -0.058 0.000 2.135 669 Q HA -0.194 4.145 4.340 -0.001 0.000 0.204 669 Q C 2.536 178.353 176.000 -0.306 0.000 0.981 669 Q CA 1.453 57.150 55.803 -0.176 0.000 0.856 669 Q CB -0.886 27.782 28.738 -0.117 0.000 0.902 669 Q HN 0.643 nan 8.270 nan 0.000 0.425 670 A N 1.065 123.720 122.820 -0.276 0.000 1.902 670 A HA -0.064 4.256 4.320 -0.001 0.000 0.217 670 A C 2.356 179.703 177.584 -0.396 0.000 1.181 670 A CA 1.894 53.766 52.037 -0.275 0.000 0.623 670 A CB -0.677 18.200 19.000 -0.204 0.000 0.818 670 A HN 0.365 nan 8.150 nan 0.000 0.443 671 A N -0.257 122.207 122.820 -0.592 0.000 1.902 671 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 671 A C 2.138 179.338 177.584 -0.640 0.000 1.181 671 A CA 2.014 53.622 52.037 -0.714 0.000 0.623 671 A CB -0.477 17.753 19.000 -1.283 0.000 0.818 671 A HN 0.543 nan 8.150 nan 0.000 0.443 672 K N -0.381 119.559 120.400 -0.766 0.000 2.103 672 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 672 K C 2.120 178.156 176.600 -0.940 0.000 1.048 672 K CA 1.202 56.952 56.287 -0.896 0.000 0.930 672 K CB -0.300 31.651 32.500 -0.915 0.000 0.716 672 K HN 0.395 nan 8.250 nan 0.000 0.444 673 A N 1.417 123.865 122.820 -0.620 0.000 1.930 673 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 673 A C 1.976 179.428 177.584 -0.220 0.000 1.175 673 A CA 1.030 52.842 52.037 -0.376 0.000 0.627 673 A CB -0.345 18.523 19.000 -0.220 0.000 0.815 673 A HN 0.207 nan 8.150 nan 0.000 0.443 674 R N -0.725 119.628 120.500 -0.244 0.000 2.096 674 R HA -0.102 4.237 4.340 -0.001 0.000 0.235 674 R C 2.029 178.243 176.300 -0.143 0.000 1.127 674 R CA 1.345 57.346 56.100 -0.164 0.000 0.968 674 R CB -1.405 28.788 30.300 -0.178 0.000 0.861 674 R HN 0.549 nan 8.270 nan 0.000 0.440 675 L N 0.287 121.380 121.223 -0.217 0.000 2.017 675 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 675 L C 2.053 178.992 176.870 0.115 0.000 1.073 675 L CA 1.696 56.441 54.840 -0.158 0.000 0.745 675 L CB -0.564 41.364 42.059 -0.217 0.000 0.894 675 L HN -0.075 nan 8.230 nan 0.000 0.432 676 F N -0.038 119.907 119.950 -0.009 0.000 2.134 676 F HA -0.150 4.376 4.527 -0.001 0.000 0.299 676 F C 2.582 178.465 175.800 0.139 0.000 1.097 676 F CA 1.549 59.641 58.000 0.153 0.000 1.264 676 F CB -1.768 37.273 39.000 0.070 0.000 1.001 676 F HN 0.115 nan 8.300 nan 0.000 0.479 677 T N 0.199 114.894 114.554 0.236 0.000 2.746 677 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 677 T C 2.286 177.039 174.700 0.090 0.000 1.039 677 T CA 1.312 63.490 62.100 0.129 0.000 1.142 677 T CB -0.583 68.319 68.868 0.056 0.000 0.866 677 T HN 0.240 nan 8.240 nan 0.000 0.444 678 A N 1.081 123.911 122.820 0.017 0.000 1.883 678 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 678 A C 1.960 179.534 177.584 -0.018 0.000 1.186 678 A CA 1.433 53.429 52.037 -0.068 0.000 0.624 678 A CB -1.032 17.841 19.000 -0.212 0.000 0.822 678 A HN 0.425 nan 8.150 nan 0.000 0.444 679 F N -0.077 119.944 119.950 0.119 0.000 2.095 679 F HA -0.141 4.385 4.527 -0.001 0.000 0.298 679 F C 2.208 178.056 175.800 0.079 0.000 1.104 679 F CA 1.325 59.395 58.000 0.116 0.000 1.232 679 F CB -0.585 38.518 39.000 0.172 0.000 0.987 679 F HN 0.120 nan 8.300 nan 0.000 0.475 680 I N -0.275 120.460 120.570 0.275 0.000 2.179 680 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 680 I C 2.314 178.499 176.117 0.113 0.000 1.088 680 I CA 1.416 62.813 61.300 0.163 0.000 1.357 680 I CB -0.424 37.656 38.000 0.133 0.000 1.051 680 I HN 0.059 nan 8.210 nan 0.000 0.409 681 K N 0.706 121.162 120.400 0.094 0.000 2.211 681 K HA -0.056 4.263 4.320 -0.001 0.000 0.203 681 K C 2.003 178.635 176.600 0.054 0.000 1.050 681 K CA 1.240 57.562 56.287 0.059 0.000 0.945 681 K CB -0.132 32.392 32.500 0.039 0.000 0.732 681 K HN 0.291 nan 8.250 nan 0.000 0.451 682 A N 0.490 123.351 122.820 0.070 0.000 2.206 682 A HA 0.101 4.420 4.320 -0.001 0.000 0.211 682 A C 1.404 179.033 177.584 0.074 0.000 1.158 682 A CA 1.036 53.112 52.037 0.065 0.000 0.761 682 A CB -0.360 18.684 19.000 0.073 0.000 0.801 682 A HN 0.423 nan 8.150 nan 0.000 0.473 683 G N -1.297 107.552 108.800 0.083 0.000 2.136 683 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.242 683 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.242 683 G C 0.546 175.493 174.900 0.077 0.000 0.989 683 G CA 0.391 45.532 45.100 0.068 0.000 0.682 683 G HN 0.546 nan 8.290 nan 0.000 0.522 684 L N 0.244 121.542 121.223 0.125 0.000 2.592 684 L HA 0.492 4.831 4.340 -0.001 0.000 0.227 684 L C 1.606 178.507 176.870 0.052 0.000 1.127 684 L CA 0.430 55.345 54.840 0.124 0.000 0.884 684 L CB -0.431 41.786 42.059 0.264 0.000 1.065 684 L HN 1.127 nan 8.230 nan 0.000 0.457 685 G N 0.491 109.322 108.800 0.052 0.000 2.685 685 G HA2 0.041 4.000 3.960 -0.001 0.000 0.387 685 G HA3 0.041 4.000 3.960 -0.001 0.000 0.387 685 G C -0.749 174.155 174.900 0.007 0.000 1.324 685 G CA -0.481 44.616 45.100 -0.005 0.000 0.878 685 G HN 0.337 nan 8.290 nan 0.000 0.527 686 A N -0.421 122.369 122.820 -0.049 0.000 2.317 686 A HA 0.623 4.943 4.320 -0.001 0.000 0.327 686 A C 0.133 177.624 177.584 -0.156 0.000 1.178 686 A CA -0.162 51.844 52.037 -0.053 0.000 0.817 686 A CB 0.848 19.822 19.000 -0.043 0.000 1.189 686 A HN 1.579 nan 8.150 nan 0.000 0.489 687 W N 3.560 124.601 121.300 -0.431 0.000 2.314 687 W HA 0.250 4.909 4.660 -0.001 0.000 0.339 687 W C -1.137 175.133 176.519 -0.416 0.000 1.293 687 W CA 0.701 57.712 57.345 -0.557 0.000 1.288 687 W CB 0.639 29.444 29.460 -1.092 0.000 1.186 687 W HN 0.412 nan 8.180 nan 0.000 0.566 688 V N 7.191 126.780 119.914 -0.542 0.000 2.333 688 V HA 0.102 4.221 4.120 -0.001 0.000 0.274 688 V C 0.186 176.203 176.094 -0.129 0.000 1.028 688 V CA -0.444 61.689 62.300 -0.279 0.000 0.851 688 V CB 0.970 32.622 31.823 -0.286 0.000 1.000 688 V HN 0.415 nan 8.190 nan 0.000 0.456 689 E N 3.407 123.649 120.200 0.070 0.000 2.314 689 E HA 0.389 4.738 4.350 -0.001 0.000 0.262 689 E C -0.257 176.422 176.600 0.131 0.000 1.093 689 E CA -0.889 55.632 56.400 0.201 0.000 0.908 689 E CB 1.158 31.008 29.700 0.249 0.000 1.091 689 E HN 0.399 nan 8.360 nan 0.000 0.425 690 K N 1.646 122.150 120.400 0.174 0.000 2.219 690 K HA 0.212 4.531 4.320 -0.001 0.000 0.258 690 K C -2.269 174.436 176.600 0.175 0.000 1.008 690 K CA -1.643 54.739 56.287 0.158 0.000 0.928 690 K CB -0.092 32.526 32.500 0.197 0.000 0.983 690 K HN 0.281 nan 8.250 nan 0.000 0.484 691 P HA 0.005 nan 4.420 nan 0.000 0.264 691 P C 0.301 177.744 177.300 0.238 0.000 1.183 691 P CA 0.323 63.565 63.100 0.237 0.000 0.763 691 P CB 0.282 32.204 31.700 0.371 0.000 0.807 692 T N 0.969 115.612 114.554 0.149 0.000 2.849 692 T HA -0.169 4.180 4.350 -0.001 0.000 0.270 692 T C 1.219 175.941 174.700 0.036 0.000 1.066 692 T CA 1.381 63.523 62.100 0.070 0.000 1.130 692 T CB -0.443 68.384 68.868 -0.068 0.000 0.864 692 T HN 0.468 nan 8.240 nan 0.000 0.481 693 E N 1.398 121.611 120.200 0.022 0.000 2.267 693 E HA -0.128 4.221 4.350 -0.001 0.000 0.197 693 E C 2.388 178.982 176.600 -0.010 0.000 0.998 693 E CA 0.683 56.995 56.400 -0.146 0.000 0.830 693 E CB -0.335 29.038 29.700 -0.546 0.000 0.751 693 E HN 0.492 nan 8.360 nan 0.000 0.491 694 Q N 0.226 120.178 119.800 0.253 0.000 2.181 694 Q HA -0.176 4.163 4.340 -0.001 0.000 0.205 694 Q C 0.693 176.928 176.000 0.392 0.000 0.980 694 Q CA 1.276 57.294 55.803 0.359 0.000 0.862 694 Q CB -0.014 28.949 28.738 0.374 0.000 0.905 694 Q HN 0.339 nan 8.270 nan 0.000 0.429 695 D N -0.455 120.142 120.400 0.328 0.000 2.398 695 D HA 0.012 4.652 4.640 -0.001 0.000 0.210 695 D C 0.024 176.400 176.300 0.126 0.000 1.094 695 D CA 0.160 54.384 54.000 0.373 0.000 0.839 695 D CB 0.420 41.435 40.800 0.359 0.000 0.963 695 D HN 0.029 nan 8.370 nan 0.000 0.506 696 Q N 0.993 120.858 119.800 0.108 0.000 3.247 696 Q HA 0.220 4.559 4.340 -0.001 0.000 0.326 696 Q C -0.406 175.661 176.000 0.112 0.000 1.402 696 Q CA -0.215 55.591 55.803 0.004 0.000 0.994 696 Q CB -0.753 27.939 28.738 -0.077 0.000 1.647 696 Q HN 0.280 nan 8.270 nan 0.000 0.523 697 F N -2.577 117.407 119.950 0.057 0.000 2.629 697 F HA 0.788 5.315 4.527 -0.001 0.000 0.316 697 F C -0.493 175.398 175.800 0.152 0.000 1.081 697 F CA -1.181 56.860 58.000 0.067 0.000 0.954 697 F CB 1.100 40.127 39.000 0.045 0.000 1.337 697 F HN -0.221 nan 8.300 nan 0.000 0.474 698 S N 1.145 117.052 115.700 0.345 0.000 2.638 698 S HA 0.692 5.161 4.470 -0.001 0.000 0.302 698 S C -0.741 174.112 174.600 0.421 0.000 1.096 698 S CA -0.931 57.455 58.200 0.310 0.000 0.953 698 S CB 1.762 65.068 63.200 0.177 0.000 1.107 698 S HN 0.662 nan 8.310 nan 0.000 0.503 699 L N 1.597 122.992 121.223 0.286 0.000 2.417 699 L HA 0.312 4.651 4.340 -0.001 0.000 0.268 699 L C 1.053 178.019 176.870 0.159 0.000 1.158 699 L CA -0.350 54.622 54.840 0.220 0.000 0.819 699 L CB 0.296 42.350 42.059 -0.009 0.000 1.112 699 L HN 0.582 nan 8.230 nan 0.000 0.458 700 T N 0.000 114.653 114.554 0.165 0.000 3.816 700 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 700 T CA 0.000 62.159 62.100 0.098 0.000 1.349 700 T CB 0.000 68.917 68.868 0.082 0.000 0.612 700 T HN 0.000 nan 8.240 nan 0.000 0.658